NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
4532 | 1f96 | 4911 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -21.648 4.098 -18.032 2 2H MET 1 2HT MET 1 -20.172 3.245 -18.226 3 3H MET 1 3HT MET 1 -20.515 4.604 -19.213 4 HA MET 1 HA MET 1 -18.937 5.113 -17.494 5 1HB MET 1 2HB MET 1 -21.664 6.395 -17.221 6 2HB MET 1 1HB MET 1 -20.159 7.100 -16.650 7 1HG MET 1 2HG MET 1 -19.326 7.168 -18.951 8 2HG MET 1 1HG MET 1 -20.850 6.483 -19.514 9 1HE MET 1 1HE MET 1 -19.469 8.918 -17.133 10 2HE MET 1 2HE MET 1 -20.886 9.910 -16.791 11 3HE MET 1 3HE MET 1 -19.688 10.456 -17.965 12 H CYS 2 H CYS 2 -19.692 2.683 -16.446 13 HA CYS 2 HA CYS 2 -19.423 3.082 -13.692 14 1HB CYS 2 2HB CYS 2 -21.755 3.835 -13.782 15 2HB CYS 2 1HB CYS 2 -22.225 2.322 -14.546 16 HG CYS 2 HG CYS 2 -20.975 1.845 -11.835 17 H ASP 3 H ASP 3 -20.831 0.926 -16.128 18 HA ASP 3 HA ASP 3 -20.398 -1.494 -14.797 19 1HB ASP 3 2HB ASP 3 -20.561 -2.538 -17.035 20 2HB ASP 3 1HB ASP 3 -21.834 -1.352 -16.755 21 H ARG 4 H ARG 4 -18.722 -2.934 -14.731 22 HA ARG 4 HA ARG 4 -16.374 -2.728 -16.305 23 1HB ARG 4 2HB ARG 4 -16.136 -0.760 -14.718 24 2HB ARG 4 1HB ARG 4 -16.008 -1.933 -13.416 25 1HG ARG 4 2HG ARG 4 -13.802 -1.458 -13.896 26 2HG ARG 4 1HG ARG 4 -14.088 -2.935 -14.814 27 1HD ARG 4 2HD ARG 4 -14.236 -0.140 -15.938 28 2HD ARG 4 1HD ARG 4 -12.851 -1.216 -16.095 29 HE ARG 4 HE ARG 4 -15.196 -1.236 -17.678 30 1HH1 ARG 4 1HH1 ARG 4 -12.831 -3.363 -16.242 31 2HH1 ARG 4 2HH1 ARG 4 -13.075 -4.621 -17.405 32 1HH2 ARG 4 1HH2 ARG 4 -15.515 -2.889 -19.209 33 2HH2 ARG 4 2HH2 ARG 4 -14.597 -4.353 -19.090 34 H LYS 5 H LYS 5 -15.308 -4.640 -16.258 35 HA LYS 5 HA LYS 5 -16.430 -6.838 -14.927 36 1HB LYS 5 2HB LYS 5 -13.726 -6.560 -16.242 37 2HB LYS 5 1HB LYS 5 -14.448 -8.084 -15.746 38 1HG LYS 5 2HG LYS 5 -15.560 -6.187 -17.803 39 2HG LYS 5 1HG LYS 5 -14.728 -7.710 -18.129 40 1HD LYS 5 2HD LYS 5 -16.493 -8.926 -16.950 41 2HD LYS 5 1HD LYS 5 -17.323 -7.404 -16.616 42 1HE LYS 5 2HE LYS 5 -16.760 -8.553 -19.348 43 2HE LYS 5 1HE LYS 5 -18.319 -8.571 -18.522 44 1HZ LYS 5 1HZ LYS 5 -16.827 -6.161 -19.411 45 2HZ LYS 5 2HZ LYS 5 -18.276 -6.131 -18.538 46 3HZ LYS 5 3HZ LYS 5 -18.245 -6.777 -20.101 47 H ALA 6 H ALA 6 -12.999 -6.050 -14.548 48 HA ALA 6 HA ALA 6 -11.613 -6.091 -12.736 49 1HB ALA 6 1HB ALA 6 -13.888 -5.570 -10.882 50 2HB ALA 6 2HB ALA 6 -13.451 -4.337 -12.063 51 3HB ALA 6 3HB ALA 6 -12.261 -4.892 -10.887 52 H VAL 7 H VAL 7 -10.771 -7.937 -11.952 53 HA VAL 7 HA VAL 7 -12.598 -10.065 -11.169 54 HB VAL 7 HB VAL 7 -10.621 -11.499 -11.199 55 1HG1 VAL 7 1HG1 VAL 7 -11.650 -11.697 -13.216 56 2HG1 VAL 7 2HG1 VAL 7 -10.126 -11.000 -13.766 57 3HG1 VAL 7 3HG1 VAL 7 -11.542 -9.970 -13.557 58 1HG2 VAL 7 1HG2 VAL 7 -8.529 -10.741 -11.257 59 2HG2 VAL 7 2HG2 VAL 7 -9.199 -9.129 -11.001 60 3HG2 VAL 7 3HG2 VAL 7 -8.875 -9.702 -12.638 61 H ILE 8 H ILE 8 -12.744 -10.893 -9.192 62 HA ILE 8 HA ILE 8 -11.368 -9.487 -7.027 63 HB ILE 8 HB ILE 8 -13.730 -11.375 -6.945 64 1HG1 ILE 8 2HG1 ILE 8 -14.962 -9.318 -6.250 65 2HG1 ILE 8 1HG1 ILE 8 -13.508 -8.378 -6.568 66 1HG2 ILE 8 1HG2 ILE 8 -13.815 -10.255 -4.546 67 2HG2 ILE 8 2HG2 ILE 8 -12.072 -10.161 -4.801 68 3HG2 ILE 8 3HG2 ILE 8 -12.888 -11.723 -4.856 69 1HD1 ILE 8 1HD1 ILE 8 -14.722 -10.073 -8.708 70 2HD1 ILE 8 2HD1 ILE 8 -13.680 -8.657 -8.857 71 3HD1 ILE 8 3HD1 ILE 8 -15.358 -8.468 -8.348 72 H LYS 9 H LYS 9 -10.193 -10.561 -5.421 73 HA LYS 9 HA LYS 9 -9.648 -13.408 -5.869 74 1HB LYS 9 2HB LYS 9 -7.546 -11.259 -5.584 75 2HB LYS 9 1HB LYS 9 -7.218 -12.985 -5.526 76 1HG LYS 9 2HG LYS 9 -8.376 -11.494 -7.872 77 2HG LYS 9 1HG LYS 9 -6.707 -12.041 -7.713 78 1HD LYS 9 2HD LYS 9 -9.151 -13.811 -7.763 79 2HD LYS 9 1HD LYS 9 -8.024 -13.570 -9.099 80 1HE LYS 9 2HE LYS 9 -6.217 -14.504 -7.732 81 2HE LYS 9 1HE LYS 9 -7.352 -14.752 -6.406 82 1HZ LYS 9 1HZ LYS 9 -8.403 -16.456 -7.505 83 2HZ LYS 9 2HZ LYS 9 -6.803 -16.693 -8.000 84 3HZ LYS 9 3HZ LYS 9 -7.906 -15.942 -9.038 85 H ASN 10 H ASN 10 -9.174 -10.616 -3.713 86 HA ASN 10 HA ASN 10 -9.129 -12.501 -1.447 87 1HB ASN 10 2HB ASN 10 -8.154 -9.639 -1.499 88 2HB ASN 10 1HB ASN 10 -7.993 -10.776 -0.166 89 1HD2 ASN 10 1HD2 ASN 10 -6.046 -11.579 0.018 90 2HD2 ASN 10 2HD2 ASN 10 -4.949 -11.915 -1.274 91 H ALA 11 H ALA 11 -11.608 -12.100 -2.389 92 HA ALA 11 HA ALA 11 -13.025 -9.879 -1.465 93 1HB ALA 11 1HB ALA 11 -13.786 -11.796 -3.007 94 2HB ALA 11 2HB ALA 11 -14.972 -11.070 -1.922 95 3HB ALA 11 3HB ALA 11 -14.236 -12.619 -1.514 96 H ASP 12 H ASP 12 -13.522 -9.188 0.502 97 HA ASP 12 HA ASP 12 -14.127 -10.964 2.671 98 1HB ASP 12 2HB ASP 12 -11.599 -9.302 2.781 99 2HB ASP 12 1HB ASP 12 -12.346 -10.061 4.184 100 H MET 13 H MET 13 -15.800 -9.231 1.592 101 HA MET 13 HA MET 13 -16.469 -7.502 3.737 102 1HB MET 13 2HB MET 13 -14.686 -6.136 2.722 103 2HB MET 13 1HB MET 13 -15.545 -6.164 1.188 104 1HG MET 13 2HG MET 13 -17.408 -4.964 2.202 105 2HG MET 13 1HG MET 13 -16.561 -4.950 3.747 106 1HE MET 13 1HE MET 13 -14.095 -4.466 3.713 107 2HE MET 13 2HE MET 13 -13.908 -2.713 3.720 108 3HE MET 13 3HE MET 13 -13.245 -3.665 2.392 109 H SER 14 H SER 14 -18.500 -6.395 3.395 110 HA SER 14 HA SER 14 -20.508 -7.878 2.340 111 1HB SER 14 2HB SER 14 -20.424 -4.856 2.472 112 2HB SER 14 1HB SER 14 -21.887 -5.825 2.306 113 HG SER 14 HG SER 14 -21.657 -6.554 4.340 114 H GLU 15 H GLU 15 -21.580 -8.125 0.435 115 HA GLU 15 HA GLU 15 -20.224 -7.944 -1.959 116 1HB GLU 15 2HB GLU 15 -23.212 -7.974 -1.543 117 2HB GLU 15 1HB GLU 15 -22.393 -8.351 -3.052 118 1HG GLU 15 2HG GLU 15 -21.308 -10.262 -1.991 119 2HG GLU 15 1HG GLU 15 -22.122 -9.883 -0.473 120 H GLU 16 H GLU 16 -22.709 -5.737 -0.731 121 HA GLU 16 HA GLU 16 -22.779 -4.017 -2.926 122 1HB GLU 16 2HB GLU 16 -23.739 -2.357 -1.384 123 2HB GLU 16 1HB GLU 16 -24.466 -3.943 -1.173 124 1HG GLU 16 2HG GLU 16 -23.064 -4.326 0.789 125 2HG GLU 16 1HG GLU 16 -22.337 -2.734 0.577 126 H MET 17 H MET 17 -20.724 -3.933 -0.038 127 HA MET 17 HA MET 17 -19.472 -1.487 -0.569 128 1HB MET 17 2HB MET 17 -18.405 -3.908 0.886 129 2HB MET 17 1HB MET 17 -17.667 -2.313 0.922 130 1HG MET 17 2HG MET 17 -19.656 -1.396 1.970 131 2HG MET 17 1HG MET 17 -20.434 -2.974 1.902 132 1HE MET 17 1HE MET 17 -20.385 -3.132 5.318 133 2HE MET 17 2HE MET 17 -20.864 -1.911 4.139 134 3HE MET 17 3HE MET 17 -19.637 -1.534 5.348 135 H GLN 18 H GLN 18 -18.411 -4.788 -1.349 136 HA GLN 18 HA GLN 18 -16.082 -4.012 -2.715 137 1HB GLN 18 2HB GLN 18 -16.204 -6.291 -3.756 138 2HB GLN 18 1HB GLN 18 -16.256 -6.272 -2.000 139 1HG GLN 18 2HG GLN 18 -18.718 -6.507 -2.121 140 2HG GLN 18 1HG GLN 18 -18.577 -6.658 -3.872 141 1HE2 GLN 18 1HE2 GLN 18 -18.594 -8.282 -0.950 142 2HE2 GLN 18 2HE2 GLN 18 -18.026 -9.815 -1.501 143 H GLN 19 H GLN 19 -19.395 -4.492 -3.816 144 HA GLN 19 HA GLN 19 -18.826 -4.210 -6.579 145 1HB GLN 19 2HB GLN 19 -21.370 -3.815 -5.007 146 2HB GLN 19 1HB GLN 19 -21.292 -3.697 -6.759 147 1HG GLN 19 2HG GLN 19 -20.551 -6.006 -6.900 148 2HG GLN 19 1HG GLN 19 -20.576 -6.134 -5.144 149 1HE2 GLN 19 1HE2 GLN 19 -22.221 -6.915 -7.829 150 2HE2 GLN 19 2HE2 GLN 19 -23.826 -7.001 -7.195 151 H ASP 20 H ASP 20 -19.741 -1.929 -4.048 152 HA ASP 20 HA ASP 20 -19.999 0.318 -5.758 153 1HB ASP 20 2HB ASP 20 -21.002 0.261 -3.511 154 2HB ASP 20 1HB ASP 20 -19.395 0.213 -2.792 155 H SER 21 H SER 21 -17.310 -1.086 -3.989 156 HA SER 21 HA SER 21 -15.509 1.059 -4.441 157 1HB SER 21 2HB SER 21 -15.101 -0.608 -2.683 158 2HB SER 21 1HB SER 21 -14.936 -1.869 -3.904 159 HG SER 21 HG SER 21 -13.098 -0.810 -4.681 160 H VAL 22 H VAL 22 -16.161 -1.979 -6.131 161 HA VAL 22 HA VAL 22 -14.174 -1.722 -8.100 162 HB VAL 22 HB VAL 22 -16.843 -3.115 -8.353 163 1HG1 VAL 22 1HG1 VAL 22 -14.273 -3.646 -9.837 164 2HG1 VAL 22 2HG1 VAL 22 -15.623 -2.713 -10.485 165 3HG1 VAL 22 3HG1 VAL 22 -15.837 -4.420 -10.095 166 1HG2 VAL 22 1HG2 VAL 22 -14.881 -3.659 -6.514 167 2HG2 VAL 22 2HG2 VAL 22 -14.483 -4.754 -7.839 168 3HG2 VAL 22 3HG2 VAL 22 -16.084 -4.807 -7.102 169 H GLU 23 H GLU 23 -17.596 -0.791 -8.098 170 HA GLU 23 HA GLU 23 -17.561 0.314 -10.715 171 1HB GLU 23 2HB GLU 23 -19.431 0.827 -8.394 172 2HB GLU 23 1HB GLU 23 -19.704 1.383 -10.039 173 1HG GLU 23 2HG GLU 23 -19.808 -0.912 -10.823 174 2HG GLU 23 1HG GLU 23 -19.469 -1.496 -9.194 175 H CYS 24 H CYS 24 -17.209 1.664 -7.480 176 HA CYS 24 HA CYS 24 -17.009 4.370 -8.245 177 1HB CYS 24 2HB CYS 24 -17.447 3.632 -5.926 178 2HB CYS 24 1HB CYS 24 -15.806 3.002 -5.829 179 HG CYS 24 HG CYS 24 -16.251 6.045 -6.250 180 H ALA 25 H ALA 25 -14.698 1.751 -8.113 181 HA ALA 25 HA ALA 25 -12.353 3.332 -8.344 182 1HB ALA 25 1HB ALA 25 -11.582 0.978 -9.390 183 2HB ALA 25 2HB ALA 25 -13.029 0.463 -8.523 184 3HB ALA 25 3HB ALA 25 -11.722 1.269 -7.657 185 H THR 26 H THR 26 -14.560 1.792 -10.599 186 HA THR 26 HA THR 26 -13.107 2.180 -12.944 187 HB THR 26 HB THR 26 -16.106 2.153 -12.571 188 HG1 THR 26 1HG THR 26 -14.173 0.137 -12.826 189 1HG2 THR 26 1HG2 THR 26 -16.101 1.235 -14.904 190 2HG2 THR 26 2HG2 THR 26 -14.433 1.792 -15.035 191 3HG2 THR 26 3HG2 THR 26 -15.731 2.953 -14.757 192 H GLN 27 H GLN 27 -15.537 4.201 -11.372 193 HA GLN 27 HA GLN 27 -15.565 6.302 -13.225 194 1HB GLN 27 2HB GLN 27 -16.015 6.400 -10.233 195 2HB GLN 27 1HB GLN 27 -16.456 7.670 -11.366 196 1HG GLN 27 2HG GLN 27 -17.569 4.874 -11.337 197 2HG GLN 27 1HG GLN 27 -18.378 6.317 -10.730 198 1HE2 GLN 27 1HE2 GLN 27 -19.835 7.098 -12.057 199 2HE2 GLN 27 2HE2 GLN 27 -19.799 7.021 -13.782 200 H ALA 28 H ALA 28 -13.514 5.643 -10.443 201 HA ALA 28 HA ALA 28 -12.122 8.036 -10.261 202 1HB ALA 28 1HB ALA 28 -10.610 5.523 -9.865 203 2HB ALA 28 2HB ALA 28 -12.054 5.759 -8.885 204 3HB ALA 28 3HB ALA 28 -10.744 6.939 -8.823 205 H LEU 29 H LEU 29 -11.427 5.179 -12.266 206 HA LEU 29 HA LEU 29 -9.031 6.123 -13.368 207 1HB LEU 29 2HB LEU 29 -11.069 4.147 -14.339 208 2HB LEU 29 1HB LEU 29 -9.637 4.526 -15.279 209 HG LEU 29 HG LEU 29 -9.497 3.545 -12.441 210 1HD1 LEU 29 1HD1 LEU 29 -8.737 1.397 -13.795 211 2HD1 LEU 29 2HD1 LEU 29 -9.860 2.055 -14.985 212 3HD1 LEU 29 3HD1 LEU 29 -10.424 1.670 -13.359 213 1HD2 LEU 29 1HD2 LEU 29 -7.216 3.157 -12.879 214 2HD2 LEU 29 2HD2 LEU 29 -7.556 4.761 -13.530 215 3HD2 LEU 29 3HD2 LEU 29 -7.431 3.376 -14.617 216 H GLU 30 H GLU 30 -12.344 6.286 -14.594 217 HA GLU 30 HA GLU 30 -11.705 7.701 -16.956 218 1HB GLU 30 2HB GLU 30 -14.317 7.560 -15.444 219 2HB GLU 30 1HB GLU 30 -14.126 8.160 -17.086 220 1HG GLU 30 2HG GLU 30 -13.362 5.955 -17.804 221 2HG GLU 30 1HG GLU 30 -13.554 5.354 -16.158 222 H LYS 31 H LYS 31 -12.441 8.733 -13.689 223 HA LYS 31 HA LYS 31 -12.687 11.504 -14.458 224 1HB LYS 31 2HB LYS 31 -12.747 10.129 -11.776 225 2HB LYS 31 1HB LYS 31 -12.906 11.869 -11.977 226 1HG LYS 31 2HG LYS 31 -14.908 11.526 -13.342 227 2HG LYS 31 1HG LYS 31 -14.748 9.783 -13.123 228 1HD LYS 31 2HD LYS 31 -15.104 9.990 -10.755 229 2HD LYS 31 1HD LYS 31 -15.066 11.752 -10.860 230 1HE LYS 31 2HE LYS 31 -17.355 10.925 -10.666 231 2HE LYS 31 1HE LYS 31 -17.092 11.725 -12.214 232 1HZ LYS 31 1HZ LYS 31 -16.505 9.102 -12.698 233 2HZ LYS 31 2HZ LYS 31 -17.935 9.897 -13.121 234 3HZ LYS 31 3HZ LYS 31 -17.850 9.025 -11.675 235 H TYR 32 H TYR 32 -10.245 9.428 -12.999 236 HA TYR 32 HA TYR 32 -8.440 11.753 -13.020 237 1HB TYR 32 2HB TYR 32 -8.372 9.444 -11.074 238 2HB TYR 32 1HB TYR 32 -7.257 10.807 -11.097 239 HD1 TYR 32 1HD TYR 32 -10.952 10.217 -10.987 240 HD2 TYR 32 2HD TYR 32 -7.644 12.485 -9.568 241 HE1 TYR 32 1HE TYR 32 -12.456 11.463 -9.492 242 HE2 TYR 32 2HE TYR 32 -9.138 13.734 -8.066 243 HH TYR 32 HH TYR 32 -12.331 12.762 -7.421 244 H ASN 33 H ASN 33 -8.571 8.211 -13.248 245 HA ASN 33 HA ASN 33 -7.342 6.726 -14.461 246 1HB ASN 33 2HB ASN 33 -7.822 8.237 -16.360 247 2HB ASN 33 1HB ASN 33 -6.386 9.175 -15.966 248 1HD2 ASN 33 1HD2 ASN 33 -4.738 8.749 -17.222 249 2HD2 ASN 33 2HD2 ASN 33 -4.360 7.222 -17.936 250 H ILE 34 H ILE 34 -6.319 7.522 -12.029 251 HA ILE 34 HA ILE 34 -3.473 7.075 -12.457 252 HB ILE 34 HB ILE 34 -4.463 9.345 -10.725 253 1HG1 ILE 34 2HG1 ILE 34 -4.566 9.849 -13.149 254 2HG1 ILE 34 1HG1 ILE 34 -3.368 10.830 -12.314 255 1HG2 ILE 34 1HG2 ILE 34 -2.561 8.960 -9.614 256 2HG2 ILE 34 2HG2 ILE 34 -1.752 9.637 -11.026 257 3HG2 ILE 34 3HG2 ILE 34 -1.939 7.890 -10.869 258 1HD1 ILE 34 1HD1 ILE 34 -2.796 9.771 -14.600 259 2HD1 ILE 34 2HD1 ILE 34 -2.543 8.300 -13.661 260 3HD1 ILE 34 3HD1 ILE 34 -1.597 9.745 -13.308 261 H GLU 35 H GLU 35 -2.697 5.645 -11.029 262 HA GLU 35 HA GLU 35 -4.303 4.188 -9.330 263 1HB GLU 35 2HB GLU 35 -2.227 3.294 -8.364 264 2HB GLU 35 1HB GLU 35 -2.159 3.370 -10.119 265 1HG GLU 35 2HG GLU 35 -0.859 5.454 -9.951 266 2HG GLU 35 1HG GLU 35 -0.877 5.299 -8.196 267 H LYS 36 H LYS 36 -2.078 6.816 -8.417 268 HA LYS 36 HA LYS 36 -2.636 6.692 -5.652 269 1HB LYS 36 2HB LYS 36 -0.643 7.791 -6.634 270 2HB LYS 36 1HB LYS 36 -1.681 9.073 -7.244 271 1HG LYS 36 2HG LYS 36 -2.390 9.360 -4.779 272 2HG LYS 36 1HG LYS 36 -0.926 8.441 -4.421 273 1HD LYS 36 2HD LYS 36 -0.346 10.745 -4.319 274 2HD LYS 36 1HD LYS 36 0.337 10.106 -5.817 275 1HE LYS 36 2HE LYS 36 -0.678 12.252 -6.254 276 2HE LYS 36 1HE LYS 36 -1.620 10.987 -7.042 277 1HZ LYS 36 1HZ LYS 36 -2.967 12.687 -5.871 278 2HZ LYS 36 2HZ LYS 36 -2.314 12.154 -4.405 279 3HZ LYS 36 3HZ LYS 36 -3.257 11.107 -5.340 280 H ASP 37 H ASP 37 -3.782 9.026 -8.100 281 HA ASP 37 HA ASP 37 -5.450 10.506 -6.452 282 1HB ASP 37 2HB ASP 37 -5.807 9.897 -9.391 283 2HB ASP 37 1HB ASP 37 -6.619 11.190 -8.515 284 H ILE 38 H ILE 38 -6.271 7.681 -8.438 285 HA ILE 38 HA ILE 38 -8.987 7.543 -7.930 286 HB ILE 38 HB ILE 38 -6.979 5.338 -8.377 287 1HG1 ILE 38 2HG1 ILE 38 -9.019 6.620 -10.203 288 2HG1 ILE 38 1HG1 ILE 38 -7.295 6.946 -10.220 289 1HG2 ILE 38 1HG2 ILE 38 -8.571 3.968 -7.582 290 2HG2 ILE 38 2HG2 ILE 38 -9.329 4.244 -9.149 291 3HG2 ILE 38 3HG2 ILE 38 -9.840 5.179 -7.744 292 1HD1 ILE 38 1HD1 ILE 38 -7.948 4.119 -10.473 293 2HD1 ILE 38 2HD1 ILE 38 -6.853 5.126 -11.420 294 3HD1 ILE 38 3HD1 ILE 38 -8.579 5.124 -11.775 295 H ALA 39 H ALA 39 -6.337 6.049 -6.108 296 HA ALA 39 HA ALA 39 -7.938 4.815 -4.155 297 1HB ALA 39 1HB ALA 39 -5.044 5.611 -4.214 298 2HB ALA 39 2HB ALA 39 -5.748 4.007 -4.405 299 3HB ALA 39 3HB ALA 39 -5.770 4.797 -2.829 300 H ALA 40 H ALA 40 -6.621 8.058 -4.399 301 HA ALA 40 HA ALA 40 -6.983 8.764 -1.675 302 1HB ALA 40 1HB ALA 40 -6.440 10.963 -2.311 303 2HB ALA 40 2HB ALA 40 -6.964 10.696 -3.974 304 3HB ALA 40 3HB ALA 40 -5.503 9.910 -3.373 305 H HIS 41 H HIS 41 -8.914 9.609 -4.555 306 HA HIS 41 HA HIS 41 -10.913 10.972 -3.140 307 1HB HIS 41 2HB HIS 41 -11.802 11.360 -5.177 308 2HB HIS 41 1HB HIS 41 -10.314 10.636 -5.772 309 HD1 HIS 41 1HD HIS 41 -13.857 9.583 -4.908 310 HD2 HIS 41 2HD HIS 41 -10.704 8.472 -7.376 311 HE1 HIS 41 1HE HIS 41 -14.761 7.743 -6.359 312 HE2 HIS 41 2HE HIS 41 -12.898 7.224 -7.965 313 H ILE 42 H ILE 42 -10.851 7.612 -4.337 314 HA ILE 42 HA ILE 42 -13.407 6.906 -3.440 315 HB ILE 42 HB ILE 42 -10.994 5.119 -3.787 316 1HG1 ILE 42 2HG1 ILE 42 -13.250 5.824 -5.668 317 2HG1 ILE 42 1HG1 ILE 42 -11.577 6.350 -5.813 318 1HG2 ILE 42 1HG2 ILE 42 -13.699 4.582 -2.881 319 2HG2 ILE 42 2HG2 ILE 42 -12.275 3.543 -2.865 320 3HG2 ILE 42 3HG2 ILE 42 -13.274 3.647 -4.314 321 1HD1 ILE 42 1HD1 ILE 42 -11.556 4.619 -7.262 322 2HD1 ILE 42 2HD1 ILE 42 -12.794 3.719 -6.388 323 3HD1 ILE 42 3HD1 ILE 42 -11.135 3.751 -5.786 324 H LYS 43 H LYS 43 -10.264 6.677 -1.809 325 HA LYS 43 HA LYS 43 -11.074 5.268 0.451 326 1HB LYS 43 2HB LYS 43 -8.720 5.854 -0.224 327 2HB LYS 43 1HB LYS 43 -9.004 7.469 0.398 328 1HG LYS 43 2HG LYS 43 -9.209 4.961 2.046 329 2HG LYS 43 1HG LYS 43 -7.762 5.958 1.933 330 1HD LYS 43 2HD LYS 43 -10.445 6.780 3.032 331 2HD LYS 43 1HD LYS 43 -8.964 6.517 3.942 332 1HE LYS 43 2HE LYS 43 -7.912 8.378 2.737 333 2HE LYS 43 1HE LYS 43 -9.417 8.656 1.866 334 1HZ LYS 43 1HZ LYS 43 -9.891 8.601 4.657 335 2HZ LYS 43 2HZ LYS 43 -10.183 9.848 3.551 336 3HZ LYS 43 3HZ LYS 43 -8.673 9.722 4.302 337 H LYS 44 H LYS 44 -10.879 8.806 0.007 338 HA LYS 44 HA LYS 44 -11.861 9.511 2.522 339 1HB LYS 44 2HB LYS 44 -12.130 11.006 -0.089 340 2HB LYS 44 1HB LYS 44 -12.384 11.699 1.507 341 1HG LYS 44 2HG LYS 44 -10.051 11.259 2.074 342 2HG LYS 44 1HG LYS 44 -9.795 10.553 0.476 343 1HD LYS 44 2HD LYS 44 -10.359 12.698 -0.560 344 2HD LYS 44 1HD LYS 44 -10.620 13.402 1.037 345 1HE LYS 44 2HE LYS 44 -8.280 12.970 1.606 346 2HE LYS 44 1HE LYS 44 -8.020 12.263 0.012 347 1HZ LYS 44 1HZ LYS 44 -8.240 15.052 0.791 348 2HZ LYS 44 2HZ LYS 44 -9.016 14.638 -0.653 349 3HZ LYS 44 3HZ LYS 44 -7.360 14.344 -0.470 350 H GLU 45 H GLU 45 -13.655 9.006 -0.511 351 HA GLU 45 HA GLU 45 -16.163 9.803 0.383 352 1HB GLU 45 2HB GLU 45 -15.433 7.674 -1.628 353 2HB GLU 45 1HB GLU 45 -17.064 8.284 -1.390 354 1HG GLU 45 2HG GLU 45 -16.326 10.519 -2.022 355 2HG GLU 45 1HG GLU 45 -14.686 9.917 -2.248 356 H PHE 46 H PHE 46 -14.723 6.542 0.494 357 HA PHE 46 HA PHE 46 -16.969 5.323 1.696 358 1HB PHE 46 2HB PHE 46 -14.083 4.528 1.474 359 2HB PHE 46 1HB PHE 46 -15.238 3.546 2.368 360 HD1 PHE 46 1HD PHE 46 -15.201 5.322 -0.929 361 HD2 PHE 46 2HD PHE 46 -16.012 1.739 1.211 362 HE1 PHE 46 1HE PHE 46 -15.908 4.237 -3.020 363 HE2 PHE 46 2HE PHE 46 -16.719 0.646 -0.873 364 HZ PHE 46 HZ PHE 46 -16.669 1.893 -2.995 365 H ASP 47 H ASP 47 -14.094 6.834 3.078 366 HA ASP 47 HA ASP 47 -14.546 6.047 5.745 367 1HB ASP 47 2HB ASP 47 -13.078 8.393 4.549 368 2HB ASP 47 1HB ASP 47 -13.154 8.118 6.286 369 H LYS 48 H LYS 48 -15.700 8.779 3.864 370 HA LYS 48 HA LYS 48 -16.924 10.152 6.034 371 1HB LYS 48 2HB LYS 48 -16.277 10.880 3.552 372 2HB LYS 48 1HB LYS 48 -17.959 10.462 3.262 373 1HG LYS 48 2HG LYS 48 -16.909 12.504 5.203 374 2HG LYS 48 1HG LYS 48 -17.797 12.807 3.710 375 1HD LYS 48 2HD LYS 48 -19.771 11.749 4.631 376 2HD LYS 48 1HD LYS 48 -18.886 11.318 6.095 377 1HE LYS 48 2HE LYS 48 -18.568 13.664 6.617 378 2HE LYS 48 1HE LYS 48 -19.409 14.126 5.137 379 1HZ LYS 48 1HZ LYS 48 -20.767 12.405 7.099 380 2HZ LYS 48 2HZ LYS 48 -21.433 13.490 5.984 381 3HZ LYS 48 3HZ LYS 48 -20.678 14.072 7.380 382 H LYS 49 H LYS 49 -18.076 7.826 3.645 383 HA LYS 49 HA LYS 49 -20.799 7.973 4.565 384 1HB LYS 49 2HB LYS 49 -19.502 6.067 2.627 385 2HB LYS 49 1HB LYS 49 -21.230 6.231 2.897 386 1HG LYS 49 2HG LYS 49 -21.129 8.541 2.095 387 2HG LYS 49 1HG LYS 49 -19.397 8.357 1.809 388 1HD LYS 49 2HD LYS 49 -19.856 6.564 0.205 389 2HD LYS 49 1HD LYS 49 -21.589 6.753 0.490 390 1HE LYS 49 2HE LYS 49 -21.468 9.055 -0.337 391 2HE LYS 49 1HE LYS 49 -19.739 8.861 -0.625 392 1HZ LYS 49 1HZ LYS 49 -21.506 6.903 -1.863 393 2HZ LYS 49 2HZ LYS 49 -20.092 7.615 -2.459 394 3HZ LYS 49 3HZ LYS 49 -21.551 8.470 -2.499 395 H TYR 50 H TYR 50 -18.395 5.356 4.483 396 HA TYR 50 HA TYR 50 -20.007 3.787 6.301 397 1HB TYR 50 2HB TYR 50 -17.369 3.183 4.968 398 2HB TYR 50 1HB TYR 50 -18.272 2.047 5.968 399 HD1 TYR 50 1HD TYR 50 -18.887 4.295 3.042 400 HD2 TYR 50 2HD TYR 50 -19.590 0.515 4.858 401 HE1 TYR 50 1HE TYR 50 -20.190 3.610 1.081 402 HE2 TYR 50 2HE TYR 50 -20.895 -0.189 2.895 403 HH TYR 50 HH TYR 50 -21.889 2.011 0.463 404 H ASN 51 H ASN 51 -17.385 5.961 6.559 405 HA ASN 51 HA ASN 51 -16.619 6.864 8.584 406 1HB ASN 51 2HB ASN 51 -18.314 5.518 9.874 407 2HB ASN 51 1HB ASN 51 -17.158 4.188 9.885 408 1HD2 ASN 51 1HD2 ASN 51 -16.008 4.035 11.650 409 2HD2 ASN 51 2HD2 ASN 51 -15.554 5.336 12.691 410 HA PRO 52 HA PRO 52 -12.509 5.576 7.643 411 1HB PRO 52 2HB PRO 52 -11.815 6.660 10.321 412 2HB PRO 52 1HB PRO 52 -11.146 7.060 8.737 413 1HG PRO 52 2HG PRO 52 -12.808 8.732 9.979 414 2HG PRO 52 1HG PRO 52 -12.879 8.509 8.222 415 1HD PRO 52 2HD PRO 52 -14.676 7.424 10.347 416 2HD PRO 52 1HD PRO 52 -15.078 8.014 8.722 417 H THR 53 H THR 53 -11.073 3.002 9.666 418 HA THR 53 HA THR 53 -10.758 5.260 7.808 419 HB THR 53 HB THR 53 -9.298 5.395 9.790 420 HG1 THR 53 1HG THR 53 -8.603 6.073 7.622 421 1HG2 THR 53 1HG2 THR 53 -9.017 2.991 10.210 422 2HG2 THR 53 2HG2 THR 53 -7.484 3.860 10.132 423 3HG2 THR 53 3HG2 THR 53 -8.014 2.880 8.765 424 H TRP 54 H TRP 54 -10.590 4.713 5.742 425 HA TRP 54 HA TRP 54 -10.103 1.920 5.063 426 1HB TRP 54 2HB TRP 54 -11.010 4.213 3.322 427 2HB TRP 54 1HB TRP 54 -10.876 2.533 2.814 428 HD1 TRP 54 HD TRP 54 -12.685 4.360 5.729 429 HE1 TRP 54 1HE TRP 54 -15.047 3.370 5.923 430 HE3 TRP 54 3HE TRP 54 -12.411 0.884 1.993 431 HZ2 TRP 54 2HZ TRP 54 -16.590 1.367 4.669 432 HZ3 TRP 54 3HZ TRP 54 -14.372 -0.538 1.560 433 HH2 TRP 54 HH TRP 54 -16.419 -0.301 2.872 434 H HIS 55 H HIS 55 -8.372 1.177 4.064 435 HA HIS 55 HA HIS 55 -6.270 3.099 3.324 436 1HB HIS 55 2HB HIS 55 -5.891 0.142 3.785 437 2HB HIS 55 1HB HIS 55 -4.674 1.417 3.825 438 HD1 HIS 55 1HD HIS 55 -5.583 3.353 5.810 439 HD2 HIS 55 2HD HIS 55 -6.346 -0.694 6.299 440 HE1 HIS 55 1HE HIS 55 -5.956 3.041 8.273 441 HE2 HIS 55 2HE HIS 55 -6.303 0.560 8.564 442 H CYS 56 H CYS 56 -5.584 3.164 1.199 443 HA CYS 56 HA CYS 56 -6.555 1.007 -0.551 444 1HB CYS 56 2HB CYS 56 -8.112 2.926 -0.675 445 2HB CYS 56 1HB CYS 56 -6.778 3.946 -1.207 446 HG CYS 56 HG CYS 56 -8.339 2.005 -2.944 447 H ILE 57 H ILE 57 -5.299 0.409 -2.186 448 HA ILE 57 HA ILE 57 -2.909 1.963 -2.848 449 HB ILE 57 HB ILE 57 -2.800 -1.003 -2.265 450 1HG1 ILE 57 2HG1 ILE 57 -1.276 -0.244 -0.363 451 2HG1 ILE 57 1HG1 ILE 57 -1.931 1.371 -0.614 452 1HG2 ILE 57 1HG2 ILE 57 -1.198 -0.481 -3.912 453 2HG2 ILE 57 2HG2 ILE 57 -0.314 -0.538 -2.386 454 3HG2 ILE 57 3HG2 ILE 57 -0.739 1.015 -3.100 455 1HD1 ILE 57 1HD1 ILE 57 -3.665 0.879 0.661 456 2HD1 ILE 57 2HD1 ILE 57 -2.979 -0.719 0.951 457 3HD1 ILE 57 3HD1 ILE 57 -4.091 -0.470 -0.394 458 H VAL 58 H VAL 58 -2.250 1.701 -5.004 459 HA VAL 58 HA VAL 58 -3.568 -0.309 -6.639 460 HB VAL 58 HB VAL 58 -3.921 2.632 -7.236 461 1HG1 VAL 58 1HG1 VAL 58 -4.548 0.136 -8.754 462 2HG1 VAL 58 2HG1 VAL 58 -3.847 1.652 -9.323 463 3HG1 VAL 58 3HG1 VAL 58 -5.568 1.560 -8.949 464 1HG2 VAL 58 1HG2 VAL 58 -5.357 1.990 -5.413 465 2HG2 VAL 58 2HG2 VAL 58 -5.898 0.560 -6.292 466 3HG2 VAL 58 3HG2 VAL 58 -6.328 2.169 -6.874 467 H GLY 59 H GLY 59 -2.429 -0.869 -8.418 468 1HA GLY 59 2HA GLY 59 -0.627 0.690 -9.849 469 2HA GLY 59 1HA GLY 59 0.296 -0.095 -8.574 470 H ARG 60 H ARG 60 1.411 -1.696 -9.501 471 HA ARG 60 HA ARG 60 0.158 -4.020 -10.444 472 1HB ARG 60 2HB ARG 60 0.782 -3.941 -12.833 473 2HB ARG 60 1HB ARG 60 -0.415 -2.725 -12.413 474 1HG ARG 60 2HG ARG 60 1.376 -1.037 -12.303 475 2HG ARG 60 1HG ARG 60 2.534 -2.269 -12.808 476 1HD ARG 60 2HD ARG 60 1.293 -2.580 -14.892 477 2HD ARG 60 1HD ARG 60 0.132 -1.353 -14.386 478 HE ARG 60 HE ARG 60 2.711 -0.249 -14.328 479 1HH1 ARG 60 1HH1 ARG 60 0.332 -1.372 -16.619 480 2HH1 ARG 60 2HH1 ARG 60 0.869 -0.318 -17.883 481 1HH2 ARG 60 1HH2 ARG 60 3.420 1.138 -15.988 482 2HH2 ARG 60 2HH2 ARG 60 2.622 1.108 -17.525 483 H ASN 61 H ASN 61 2.250 -3.306 -8.682 484 HA ASN 61 HA ASN 61 4.103 -5.291 -9.052 485 1HB ASN 61 2HB ASN 61 4.876 -4.053 -11.043 486 2HB ASN 61 1HB ASN 61 5.173 -2.637 -10.048 487 1HD2 ASN 61 1HD2 ASN 61 5.937 -5.519 -8.422 488 2HD2 ASN 61 2HD2 ASN 61 7.638 -5.492 -8.693 489 H PHE 62 H PHE 62 3.423 -5.170 -6.767 490 HA PHE 62 HA PHE 62 5.397 -3.860 -5.168 491 1HB PHE 62 2HB PHE 62 3.990 -2.315 -3.971 492 2HB PHE 62 1HB PHE 62 3.871 -1.973 -5.694 493 HD1 PHE 62 1HD PHE 62 1.906 -3.364 -6.886 494 HD2 PHE 62 2HD PHE 62 2.034 -2.274 -2.778 495 HE1 PHE 62 1HE PHE 62 -0.541 -3.571 -6.763 496 HE2 PHE 62 2HE PHE 62 -0.414 -2.480 -2.644 497 HZ PHE 62 HZ PHE 62 -1.706 -3.128 -4.638 498 H GLY 63 H GLY 63 5.684 -4.864 -3.311 499 1HA GLY 63 2HA GLY 63 3.733 -6.911 -2.493 500 2HA GLY 63 1HA GLY 63 5.413 -6.823 -1.968 501 H SER 64 H SER 64 2.758 -6.866 -0.413 502 HA SER 64 HA SER 64 3.582 -4.818 1.451 503 1HB SER 64 2HB SER 64 0.883 -4.555 0.122 504 2HB SER 64 1HB SER 64 1.517 -3.530 1.409 505 HG SER 64 HG SER 64 3.317 -3.155 -0.169 506 H TYR 65 H TYR 65 2.541 -4.795 3.425 507 HA TYR 65 HA TYR 65 0.681 -6.967 4.049 508 1HB TYR 65 2HB TYR 65 3.402 -6.548 5.206 509 2HB TYR 65 1HB TYR 65 2.118 -7.066 6.290 510 HD1 TYR 65 1HD TYR 65 3.338 -7.972 2.864 511 HD2 TYR 65 2HD TYR 65 2.012 -9.321 6.673 512 HE1 TYR 65 1HE TYR 65 3.650 -10.298 2.145 513 HE2 TYR 65 2HE TYR 65 2.328 -11.654 5.965 514 HH TYR 65 HH TYR 65 4.115 -12.656 3.685 515 H VAL 66 H VAL 66 -0.863 -6.389 5.510 516 HA VAL 66 HA VAL 66 -0.565 -4.023 7.174 517 HB VAL 66 HB VAL 66 -2.856 -4.117 5.220 518 1HG1 VAL 66 1HG1 VAL 66 -1.721 -1.850 6.845 519 2HG1 VAL 66 2HG1 VAL 66 -3.160 -2.782 7.258 520 3HG1 VAL 66 3HG1 VAL 66 -3.140 -1.783 5.806 521 1HG2 VAL 66 1HG2 VAL 66 -0.857 -3.934 3.875 522 2HG2 VAL 66 2HG2 VAL 66 -0.251 -2.631 4.898 523 3HG2 VAL 66 3HG2 VAL 66 -1.689 -2.379 3.907 524 H THR 67 H THR 67 -2.407 -3.778 8.676 525 HA THR 67 HA THR 67 -3.820 -6.340 9.061 526 HB THR 67 HB THR 67 -3.144 -4.202 11.098 527 HG1 THR 67 1HG THR 67 -1.401 -5.297 11.423 528 1HG2 THR 67 1HG2 THR 67 -3.751 -6.064 12.721 529 2HG2 THR 67 2HG2 THR 67 -4.609 -6.798 11.364 530 3HG2 THR 67 3HG2 THR 67 -5.074 -5.197 11.940 531 H HIS 68 H HIS 68 -6.039 -6.261 9.811 532 HA HIS 68 HA HIS 68 -7.490 -3.793 9.775 533 1HB HIS 68 2HB HIS 68 -8.810 -4.356 7.715 534 2HB HIS 68 1HB HIS 68 -7.129 -3.918 7.418 535 HD1 HIS 68 1HD HIS 68 -9.304 -7.010 7.682 536 HD2 HIS 68 2HD HIS 68 -5.666 -5.799 6.082 537 HE1 HIS 68 1HE HIS 68 -8.467 -8.972 6.355 538 HE2 HIS 68 2HE HIS 68 -6.222 -8.249 5.472 539 H GLU 69 H GLU 69 -9.590 -3.982 10.437 540 HA GLU 69 HA GLU 69 -10.285 -6.174 12.034 541 1HB GLU 69 2HB GLU 69 -11.134 -3.929 12.438 542 2HB GLU 69 1HB GLU 69 -12.002 -3.957 10.913 543 1HG GLU 69 2HG GLU 69 -13.501 -4.324 12.769 544 2HG GLU 69 1HG GLU 69 -13.419 -5.754 11.742 545 H THR 70 H THR 70 -12.054 -7.650 11.833 546 HA THR 70 HA THR 70 -12.106 -9.106 9.466 547 HB THR 70 HB THR 70 -14.060 -10.282 10.445 548 HG1 THR 70 1HG THR 70 -15.075 -9.513 12.165 549 1HG2 THR 70 1HG2 THR 70 -11.633 -10.631 11.246 550 2HG2 THR 70 2HG2 THR 70 -12.962 -11.294 12.197 551 3HG2 THR 70 3HG2 THR 70 -12.175 -9.800 12.704 552 H LYS 71 H LYS 71 -13.571 -9.346 7.807 553 HA LYS 71 HA LYS 71 -15.106 -8.750 6.245 554 1HB LYS 71 2HB LYS 71 -16.436 -7.270 8.520 555 2HB LYS 71 1HB LYS 71 -17.179 -7.665 6.978 556 1HG LYS 71 2HG LYS 71 -16.094 -9.856 8.683 557 2HG LYS 71 1HG LYS 71 -17.644 -9.119 9.089 558 1HD LYS 71 2HD LYS 71 -17.958 -11.104 7.710 559 2HD LYS 71 1HD LYS 71 -18.483 -9.655 6.852 560 1HE LYS 71 2HE LYS 71 -16.480 -9.640 5.538 561 2HE LYS 71 1HE LYS 71 -15.785 -10.950 6.492 562 1HZ LYS 71 1HZ LYS 71 -16.653 -11.756 4.393 563 2HZ LYS 71 2HZ LYS 71 -18.188 -11.143 4.755 564 3HZ LYS 71 3HZ LYS 71 -17.543 -12.405 5.678 565 H HIS 72 H HIS 72 -12.840 -6.851 7.230 566 HA HIS 72 HA HIS 72 -13.775 -4.520 5.688 567 1HB HIS 72 2HB HIS 72 -11.841 -4.533 8.019 568 2HB HIS 72 1HB HIS 72 -12.234 -3.128 7.041 569 HD1 HIS 72 1HD HIS 72 -12.758 -2.578 9.807 570 HD2 HIS 72 2HD HIS 72 -15.551 -4.656 7.542 571 HE1 HIS 72 1HE HIS 72 -14.939 -2.326 11.031 572 HE2 HIS 72 2HE HIS 72 -16.628 -3.521 9.597 573 H PHE 73 H PHE 73 -12.803 -6.337 4.108 574 HA PHE 73 HA PHE 73 -10.275 -5.261 3.248 575 1HB PHE 73 2HB PHE 73 -9.425 -6.855 4.827 576 2HB PHE 73 1HB PHE 73 -10.477 -8.116 4.200 577 HD1 PHE 73 1HD PHE 73 -8.150 -5.703 2.559 578 HD2 PHE 73 2HD PHE 73 -9.219 -9.764 3.236 579 HE1 PHE 73 1HE PHE 73 -6.367 -6.422 1.028 580 HE2 PHE 73 2HE PHE 73 -7.437 -10.493 1.704 581 HZ PHE 73 HZ PHE 73 -6.008 -8.821 0.596 582 H ILE 74 H ILE 74 -9.926 -5.486 1.085 583 HA ILE 74 HA ILE 74 -11.309 -7.471 -0.473 584 HB ILE 74 HB ILE 74 -13.121 -5.875 -0.216 585 1HG1 ILE 74 2HG1 ILE 74 -11.866 -5.726 -2.968 586 2HG1 ILE 74 1HG1 ILE 74 -12.910 -7.015 -2.380 587 1HG2 ILE 74 1HG2 ILE 74 -12.805 -3.574 -1.265 588 2HG2 ILE 74 2HG2 ILE 74 -11.074 -3.886 -1.143 589 3HG2 ILE 74 3HG2 ILE 74 -12.068 -3.851 0.314 590 1HD1 ILE 74 1HD1 ILE 74 -13.607 -4.207 -3.109 591 2HD1 ILE 74 2HD1 ILE 74 -14.635 -5.137 -2.020 592 3HD1 ILE 74 3HD1 ILE 74 -14.330 -5.720 -3.655 593 H TYR 75 H TYR 75 -10.347 -7.823 -2.409 594 HA TYR 75 HA TYR 75 -8.467 -5.867 -3.487 595 1HB TYR 75 2HB TYR 75 -7.206 -7.418 -1.943 596 2HB TYR 75 1HB TYR 75 -7.659 -8.742 -3.011 597 HD1 TYR 75 1HD TYR 75 -7.085 -8.216 -5.603 598 HD2 TYR 75 2HD TYR 75 -5.111 -6.534 -2.231 599 HE1 TYR 75 1HE TYR 75 -5.108 -7.767 -6.991 600 HE2 TYR 75 2HE TYR 75 -3.128 -6.083 -3.611 601 HH TYR 75 HH TYR 75 -2.710 -7.409 -6.718 602 H PHE 76 H PHE 76 -8.360 -5.920 -5.707 603 HA PHE 76 HA PHE 76 -9.145 -8.191 -7.242 604 1HB PHE 76 2HB PHE 76 -11.200 -7.221 -8.213 605 2HB PHE 76 1HB PHE 76 -11.362 -7.534 -6.488 606 HD1 PHE 76 1HD PHE 76 -10.621 -5.420 -4.991 607 HD2 PHE 76 2HD PHE 76 -12.048 -5.259 -8.995 608 HE1 PHE 76 1HE PHE 76 -11.305 -3.082 -4.648 609 HE2 PHE 76 2HE PHE 76 -12.735 -2.922 -8.662 610 HZ PHE 76 HZ PHE 76 -12.364 -1.829 -6.486 611 H TYR 77 H TYR 77 -8.485 -8.025 -9.328 612 HA TYR 77 HA TYR 77 -6.894 -5.728 -10.031 613 1HB TYR 77 2HB TYR 77 -7.495 -8.268 -11.557 614 2HB TYR 77 1HB TYR 77 -6.381 -7.022 -12.099 615 HD1 TYR 77 1HD TYR 77 -6.987 -9.121 -9.053 616 HD2 TYR 77 2HD TYR 77 -4.145 -7.366 -11.690 617 HE1 TYR 77 1HE TYR 77 -5.168 -10.204 -7.805 618 HE2 TYR 77 2HE TYR 77 -2.318 -8.446 -10.448 619 HH TYR 77 HH TYR 77 -2.250 -9.379 -7.715 620 H LEU 78 H LEU 78 -7.232 -4.323 -11.735 621 HA LEU 78 HA LEU 78 -9.408 -4.497 -13.534 622 1HB LEU 78 2HB LEU 78 -10.733 -3.975 -11.577 623 2HB LEU 78 1HB LEU 78 -9.707 -2.604 -11.205 624 HG LEU 78 HG LEU 78 -10.466 -1.475 -13.251 625 1HD1 LEU 78 1HD1 LEU 78 -11.026 -3.826 -14.297 626 2HD1 LEU 78 2HD1 LEU 78 -11.897 -2.373 -14.785 627 3HD1 LEU 78 3HD1 LEU 78 -12.620 -3.489 -13.626 628 1HD2 LEU 78 1HD2 LEU 78 -12.303 -0.639 -12.245 629 2HD2 LEU 78 2HD2 LEU 78 -11.776 -1.660 -10.907 630 3HD2 LEU 78 3HD2 LEU 78 -13.030 -2.227 -12.008 631 H GLY 79 H GLY 79 -9.318 -2.952 -15.149 632 1HA GLY 79 2HA GLY 79 -8.299 -1.426 -16.526 633 2HA GLY 79 1HA GLY 79 -8.016 -0.495 -15.062 634 H GLN 80 H GLN 80 -6.737 -3.677 -15.899 635 HA GLN 80 HA GLN 80 -4.612 -4.472 -15.990 636 1HB GLN 80 2HB GLN 80 -4.137 -1.770 -17.258 637 2HB GLN 80 1HB GLN 80 -2.989 -3.099 -17.283 638 1HG GLN 80 2HG GLN 80 -4.159 -2.999 -19.378 639 2HG GLN 80 1HG GLN 80 -4.625 -4.462 -18.511 640 1HE2 GLN 80 1HE2 GLN 80 -6.693 -4.901 -18.640 641 2HE2 GLN 80 2HE2 GLN 80 -7.980 -3.756 -18.763 642 H VAL 81 H VAL 81 -5.385 -3.240 -13.546 643 HA VAL 81 HA VAL 81 -2.774 -2.836 -12.396 644 HB VAL 81 HB VAL 81 -3.311 -0.691 -11.307 645 1HG1 VAL 81 1HG1 VAL 81 -3.550 -0.381 -14.289 646 2HG1 VAL 81 2HG1 VAL 81 -2.053 -0.865 -13.493 647 3HG1 VAL 81 3HG1 VAL 81 -2.772 0.705 -13.137 648 1HG2 VAL 81 1HG2 VAL 81 -5.677 -0.602 -13.177 649 2HG2 VAL 81 2HG2 VAL 81 -5.178 0.660 -12.053 650 3HG2 VAL 81 3HG2 VAL 81 -5.767 -0.884 -11.439 651 H ALA 82 H ALA 82 -2.706 -3.566 -10.351 652 HA ALA 82 HA ALA 82 -4.978 -4.880 -9.260 653 1HB ALA 82 1HB ALA 82 -3.105 -4.694 -7.218 654 2HB ALA 82 2HB ALA 82 -2.145 -4.706 -8.699 655 3HB ALA 82 3HB ALA 82 -3.281 -6.015 -8.373 656 H ILE 83 H ILE 83 -6.461 -4.195 -7.855 657 HA ILE 83 HA ILE 83 -6.083 -1.537 -6.641 658 HB ILE 83 HB ILE 83 -8.681 -2.928 -7.320 659 1HG1 ILE 83 2HG1 ILE 83 -7.306 -0.562 -8.615 660 2HG1 ILE 83 1HG1 ILE 83 -7.470 -2.169 -9.315 661 1HG2 ILE 83 1HG2 ILE 83 -8.835 -1.481 -5.344 662 2HG2 ILE 83 2HG2 ILE 83 -9.752 -0.833 -6.704 663 3HG2 ILE 83 3HG2 ILE 83 -8.186 -0.138 -6.284 664 1HD1 ILE 83 1HD1 ILE 83 -9.907 -1.890 -9.332 665 2HD1 ILE 83 2HD1 ILE 83 -9.080 -0.658 -10.283 666 3HD1 ILE 83 3HD1 ILE 83 -9.709 -0.263 -8.684 667 H LEU 84 H LEU 84 -6.362 -1.285 -4.475 668 HA LEU 84 HA LEU 84 -7.270 -3.607 -2.924 669 1HB LEU 84 2HB LEU 84 -4.831 -3.623 -2.915 670 2HB LEU 84 1HB LEU 84 -4.803 -1.959 -2.366 671 HG LEU 84 HG LEU 84 -5.874 -2.650 -0.251 672 1HD1 LEU 84 1HD1 LEU 84 -6.753 -4.666 0.086 673 2HD1 LEU 84 2HD1 LEU 84 -5.320 -5.482 -0.539 674 3HD1 LEU 84 3HD1 LEU 84 -6.573 -4.929 -1.648 675 1HD2 LEU 84 1HD2 LEU 84 -3.890 -3.154 0.697 676 2HD2 LEU 84 2HD2 LEU 84 -3.275 -2.812 -0.921 677 3HD2 LEU 84 3HD2 LEU 84 -3.566 -4.478 -0.423 678 H LEU 85 H LEU 85 -8.476 -3.160 -1.147 679 HA LEU 85 HA LEU 85 -8.592 -0.492 -0.040 680 1HB LEU 85 2HB LEU 85 -10.121 -0.318 -1.955 681 2HB LEU 85 1HB LEU 85 -11.017 -1.708 -1.370 682 HG LEU 85 HG LEU 85 -11.654 -0.437 0.647 683 1HD1 LEU 85 1HD1 LEU 85 -10.165 1.187 1.145 684 2HD1 LEU 85 2HD1 LEU 85 -11.270 2.168 0.183 685 3HD1 LEU 85 3HD1 LEU 85 -9.799 1.525 -0.546 686 1HD2 LEU 85 1HD2 LEU 85 -13.384 0.707 -0.366 687 2HD2 LEU 85 2HD2 LEU 85 -12.897 -0.413 -1.639 688 3HD2 LEU 85 3HD2 LEU 85 -12.373 1.271 -1.697 689 H PHE 86 H PHE 86 -9.189 -0.534 2.074 690 HA PHE 86 HA PHE 86 -10.850 -2.487 3.247 691 1HB PHE 86 2HB PHE 86 -9.159 -3.766 4.498 692 2HB PHE 86 1HB PHE 86 -8.991 -3.990 2.763 693 HD1 PHE 86 1HD PHE 86 -7.311 -2.216 1.643 694 HD2 PHE 86 2HD PHE 86 -7.257 -3.475 5.701 695 HE1 PHE 86 1HE PHE 86 -4.941 -1.581 1.802 696 HE2 PHE 86 2HE PHE 86 -4.889 -2.843 5.874 697 HZ PHE 86 HZ PHE 86 -3.725 -1.893 3.920 698 H LYS 87 H LYS 87 -11.626 -1.622 5.069 699 HA LYS 87 HA LYS 87 -10.183 0.627 6.231 700 1HB LYS 87 2HB LYS 87 -12.248 1.215 7.350 701 2HB LYS 87 1HB LYS 87 -12.536 0.979 5.635 702 1HG LYS 87 2HG LYS 87 -13.557 -1.139 6.019 703 2HG LYS 87 1HG LYS 87 -13.084 -1.113 7.720 704 1HD LYS 87 2HD LYS 87 -14.529 0.797 8.118 705 2HD LYS 87 1HD LYS 87 -14.957 0.856 6.410 706 1HE LYS 87 2HE LYS 87 -15.970 -1.358 6.587 707 2HE LYS 87 1HE LYS 87 -15.537 -1.420 8.294 708 1HZ LYS 87 1HZ LYS 87 -17.666 -0.677 8.446 709 2HZ LYS 87 2HZ LYS 87 -17.625 0.135 6.962 710 3HZ LYS 87 3HZ LYS 87 -16.881 0.818 8.318 711 H SER 88 H SER 88 -10.471 0.905 8.649 712 HA SER 88 HA SER 88 -10.407 -1.579 10.162 713 1HB SER 88 2HB SER 88 -8.078 -1.318 9.411 714 2HB SER 88 1HB SER 88 -8.044 0.313 10.082 715 HG SER 88 HG SER 88 -8.145 -0.515 12.115 716 H GLY 89 H GLY 89 -11.117 -1.319 12.208 717 1HA GLY 89 2HA GLY 89 -10.873 1.003 13.766 718 2HA GLY 89 1HA GLY 89 -12.429 1.051 12.952 719 1H MET 1 1HT MET 1 30.187 -2.975 3.481 720 2H MET 1 2HT MET 1 29.694 -3.284 5.096 721 3H MET 1 3HT MET 1 31.331 -3.524 4.635 722 HA MET 1 HA MET 1 31.316 -1.549 5.782 723 1HB MET 1 2HB MET 1 31.129 -0.976 2.817 724 2HB MET 1 1HB MET 1 31.882 0.077 4.008 725 1HG MET 1 2HG MET 1 32.776 -2.707 3.294 726 2HG MET 1 1HG MET 1 33.537 -1.205 2.774 727 1HE MET 1 1HE MET 1 34.394 0.556 4.362 728 2HE MET 1 2HE MET 1 35.075 0.238 5.957 729 3HE MET 1 3HE MET 1 33.339 0.491 5.775 730 H CYS 2 H CYS 2 28.775 -1.490 3.300 731 HA CYS 2 HA CYS 2 27.555 0.906 4.111 732 1HB CYS 2 2HB CYS 2 26.308 -1.493 2.756 733 2HB CYS 2 1HB CYS 2 25.595 0.113 2.844 734 HG CYS 2 HG CYS 2 27.642 0.937 1.347 735 H ASP 3 H ASP 3 26.061 1.397 5.631 736 HA ASP 3 HA ASP 3 24.554 -0.643 6.995 737 1HB ASP 3 2HB ASP 3 26.630 0.952 8.514 738 2HB ASP 3 1HB ASP 3 25.410 -0.084 9.248 739 H ARG 4 H ARG 4 22.672 0.143 7.717 740 HA ARG 4 HA ARG 4 20.969 1.587 8.134 741 1HB ARG 4 2HB ARG 4 22.567 2.285 9.957 742 2HB ARG 4 1HB ARG 4 23.120 3.567 8.893 743 1HG ARG 4 2HG ARG 4 21.551 4.502 10.410 744 2HG ARG 4 1HG ARG 4 20.787 4.430 8.824 745 1HD ARG 4 2HD ARG 4 19.139 3.697 10.321 746 2HD ARG 4 1HD ARG 4 19.770 2.225 9.589 747 HE ARG 4 HE ARG 4 20.014 3.052 12.349 748 1HH1 ARG 4 1HH1 ARG 4 21.118 0.856 9.870 749 2HH1 ARG 4 2HH1 ARG 4 21.874 -0.222 10.991 750 1HH2 ARG 4 1HH2 ARG 4 20.999 1.629 13.818 751 2HH2 ARG 4 2HH2 ARG 4 21.803 0.213 13.228 752 H LYS 5 H LYS 5 21.791 1.422 5.491 753 HA LYS 5 HA LYS 5 22.123 4.015 4.339 754 1HB LYS 5 2HB LYS 5 21.309 1.384 3.085 755 2HB LYS 5 1HB LYS 5 21.717 2.839 2.187 756 1HG LYS 5 2HG LYS 5 23.580 1.347 4.020 757 2HG LYS 5 1HG LYS 5 23.570 1.249 2.257 758 1HD LYS 5 2HD LYS 5 24.026 3.676 2.156 759 2HD LYS 5 1HD LYS 5 24.123 3.708 3.918 760 1HE LYS 5 2HE LYS 5 25.991 2.126 3.836 761 2HE LYS 5 1HE LYS 5 25.895 2.104 2.077 762 1HZ LYS 5 1HZ LYS 5 26.854 4.127 1.909 763 2HZ LYS 5 2HZ LYS 5 27.529 3.696 3.398 764 3HZ LYS 5 3HZ LYS 5 26.178 4.712 3.346 765 H ALA 6 H ALA 6 19.919 3.026 2.256 766 HA ALA 6 HA ALA 6 17.765 3.539 1.779 767 1HB ALA 6 1HB ALA 6 17.463 2.081 3.868 768 2HB ALA 6 2HB ALA 6 16.116 3.107 3.374 769 3HB ALA 6 3HB ALA 6 17.153 3.598 4.713 770 H VAL 7 H VAL 7 16.971 5.450 1.130 771 HA VAL 7 HA VAL 7 17.759 7.836 2.601 772 HB VAL 7 HB VAL 7 16.960 9.046 0.615 773 1HG1 VAL 7 1HG1 VAL 7 19.314 7.805 0.985 774 2HG1 VAL 7 2HG1 VAL 7 18.962 8.823 -0.411 775 3HG1 VAL 7 3HG1 VAL 7 18.815 7.071 -0.539 776 1HG2 VAL 7 1HG2 VAL 7 16.903 6.686 -1.101 777 2HG2 VAL 7 2HG2 VAL 7 15.849 8.101 -1.087 778 3HG2 VAL 7 3HG2 VAL 7 15.559 6.774 0.037 779 H ILE 8 H ILE 8 16.382 9.196 3.550 780 HA ILE 8 HA ILE 8 13.676 8.296 4.016 781 HB ILE 8 HB ILE 8 15.175 10.698 5.071 782 1HG1 ILE 8 2HG1 ILE 8 15.113 9.422 7.204 783 2HG1 ILE 8 1HG1 ILE 8 14.371 8.075 6.349 784 1HG2 ILE 8 1HG2 ILE 8 13.193 10.583 6.777 785 2HG2 ILE 8 2HG2 ILE 8 12.348 9.824 5.429 786 3HG2 ILE 8 3HG2 ILE 8 13.011 11.448 5.249 787 1HD1 ILE 8 1HD1 ILE 8 16.885 8.001 6.807 788 2HD1 ILE 8 2HD1 ILE 8 17.018 9.173 5.496 789 3HD1 ILE 8 3HD1 ILE 8 16.320 7.583 5.191 790 H LYS 9 H LYS 9 11.784 9.436 3.554 791 HA LYS 9 HA LYS 9 12.009 11.697 1.703 792 1HB LYS 9 2HB LYS 9 10.353 9.216 1.221 793 2HB LYS 9 1HB LYS 9 10.238 10.692 0.271 794 1HG LYS 9 2HG LYS 9 12.693 8.966 0.538 795 2HG LYS 9 1HG LYS 9 11.594 8.996 -0.842 796 1HD LYS 9 2HD LYS 9 12.136 11.352 -1.221 797 2HD LYS 9 1HD LYS 9 13.225 11.328 0.165 798 1HE LYS 9 2HE LYS 9 14.461 11.102 -1.924 799 2HE LYS 9 1HE LYS 9 14.607 9.647 -0.941 800 1HZ LYS 9 1HZ LYS 9 13.362 8.431 -2.390 801 2HZ LYS 9 2HZ LYS 9 14.062 9.516 -3.484 802 3HZ LYS 9 3HZ LYS 9 12.477 9.760 -2.948 803 H ASN 10 H ASN 10 9.897 9.736 3.773 804 HA ASN 10 HA ASN 10 8.322 12.174 4.290 805 1HB ASN 10 2HB ASN 10 7.265 9.348 4.078 806 2HB ASN 10 1HB ASN 10 6.320 10.747 4.576 807 1HD2 ASN 10 1HD2 ASN 10 6.857 8.784 2.074 808 2HD2 ASN 10 2HD2 ASN 10 6.525 9.850 0.757 809 H ALA 11 H ALA 11 10.399 11.804 5.874 810 HA ALA 11 HA ALA 11 10.150 10.096 8.066 811 1HB ALA 11 1HB ALA 11 12.071 11.039 8.678 812 2HB ALA 11 2HB ALA 11 11.329 12.635 8.802 813 3HB ALA 11 3HB ALA 11 11.933 12.062 7.247 814 H ASP 12 H ASP 12 9.086 10.181 9.970 815 HA ASP 12 HA ASP 12 7.982 12.445 11.181 816 1HB ASP 12 2HB ASP 12 6.459 12.489 9.260 817 2HB ASP 12 1HB ASP 12 5.988 10.823 9.581 818 H MET 13 H MET 13 9.346 10.772 12.473 819 HA MET 13 HA MET 13 7.678 9.611 14.415 820 1HB MET 13 2HB MET 13 7.292 7.929 12.660 821 2HB MET 13 1HB MET 13 9.023 7.638 12.558 822 1HG MET 13 2HG MET 13 9.013 6.858 14.883 823 2HG MET 13 1HG MET 13 7.271 7.113 14.949 824 1HE MET 13 1HE MET 13 6.127 4.627 12.090 825 2HE MET 13 2HE MET 13 6.200 6.368 12.363 826 3HE MET 13 3HE MET 13 5.460 5.317 13.570 827 H SER 14 H SER 14 8.898 8.539 16.128 828 HA SER 14 HA SER 14 11.124 9.855 16.970 829 1HB SER 14 2HB SER 14 10.434 6.965 17.545 830 2HB SER 14 1HB SER 14 11.550 7.952 18.490 831 HG SER 14 HG SER 14 9.676 9.417 18.737 832 H GLU 15 H GLU 15 13.312 9.679 16.817 833 HA GLU 15 HA GLU 15 14.498 8.834 14.481 834 1HB GLU 15 2HB GLU 15 15.786 9.095 17.197 835 2HB GLU 15 1HB GLU 15 16.648 9.039 15.665 836 1HG GLU 15 2HG GLU 15 15.550 11.107 14.970 837 2HG GLU 15 1HG GLU 15 14.689 11.164 16.506 838 H GLU 16 H GLU 16 14.399 7.107 17.568 839 HA GLU 16 HA GLU 16 15.925 4.902 16.817 840 1HB GLU 16 2HB GLU 16 14.834 3.717 18.676 841 2HB GLU 16 1HB GLU 16 15.340 5.336 19.137 842 1HG GLU 16 2HG GLU 16 13.049 6.134 18.857 843 2HG GLU 16 1HG GLU 16 12.542 4.508 18.400 844 H MET 17 H MET 17 12.427 5.402 16.555 845 HA MET 17 HA MET 17 11.845 2.832 15.575 846 1HB MET 17 2HB MET 17 10.347 5.407 15.081 847 2HB MET 17 1HB MET 17 9.712 3.784 14.842 848 1HG MET 17 2HG MET 17 9.934 3.340 17.229 849 2HG MET 17 1HG MET 17 10.573 4.965 17.472 850 1HE MET 17 1HE MET 17 7.461 3.918 19.042 851 2HE MET 17 2HE MET 17 7.437 5.674 19.199 852 3HE MET 17 3HE MET 17 8.963 4.800 19.317 853 H GLN 18 H GLN 18 12.498 5.882 13.882 854 HA GLN 18 HA GLN 18 12.151 4.793 11.300 855 1HB GLN 18 2HB GLN 18 13.361 6.825 10.514 856 2HB GLN 18 1HB GLN 18 11.987 7.156 11.558 857 1HG GLN 18 2HG GLN 18 13.553 7.435 13.451 858 2HG GLN 18 1HG GLN 18 14.893 7.224 12.326 859 1HE2 GLN 18 1HE2 GLN 18 12.781 9.402 13.743 860 2HE2 GLN 18 2HE2 GLN 18 13.124 10.775 12.760 861 H GLN 19 H GLN 19 15.005 5.133 13.367 862 HA GLN 19 HA GLN 19 16.793 4.227 11.324 863 1HB GLN 19 2HB GLN 19 18.478 4.108 13.065 864 2HB GLN 19 1HB GLN 19 17.577 5.610 13.205 865 1HG GLN 19 2HG GLN 19 16.311 4.719 15.049 866 2HG GLN 19 1HG GLN 19 17.099 3.155 14.874 867 1HE2 GLN 19 1HE2 GLN 19 17.198 6.154 16.390 868 2HE2 GLN 19 2HE2 GLN 19 18.782 6.040 17.070 869 H ASP 20 H ASP 20 14.964 2.716 13.909 870 HA ASP 20 HA ASP 20 16.188 0.155 13.695 871 1HB ASP 20 2HB ASP 20 14.953 0.844 15.709 872 2HB ASP 20 1HB ASP 20 13.462 0.914 14.775 873 H SER 21 H SER 21 13.424 1.690 12.166 874 HA SER 21 HA SER 21 12.439 -0.648 10.898 875 1HB SER 21 2HB SER 21 12.107 2.265 10.130 876 2HB SER 21 1HB SER 21 11.174 0.926 9.460 877 HG SER 21 HG SER 21 10.397 0.520 11.572 878 H VAL 22 H VAL 22 14.655 1.919 9.908 879 HA VAL 22 HA VAL 22 15.037 1.044 7.259 880 HB VAL 22 HB VAL 22 16.977 2.560 9.012 881 1HG1 VAL 22 1HG1 VAL 22 18.249 1.910 7.195 882 2HG1 VAL 22 2HG1 VAL 22 17.619 3.470 6.665 883 3HG1 VAL 22 3HG1 VAL 22 16.883 1.978 6.081 884 1HG2 VAL 22 1HG2 VAL 22 15.840 4.467 8.632 885 2HG2 VAL 22 2HG2 VAL 22 14.478 3.376 8.378 886 3HG2 VAL 22 3HG2 VAL 22 15.384 3.992 6.997 887 H GLU 23 H GLU 23 16.862 0.416 10.233 888 HA GLU 23 HA GLU 23 18.774 -1.283 8.989 889 1HB GLU 23 2HB GLU 23 19.426 -1.908 11.245 890 2HB GLU 23 1HB GLU 23 19.177 -0.171 11.161 891 1HG GLU 23 2HG GLU 23 16.954 -0.459 12.155 892 2HG GLU 23 1HG GLU 23 17.255 -2.190 12.289 893 H CYS 24 H CYS 24 15.771 -1.818 10.751 894 HA CYS 24 HA CYS 24 15.840 -4.630 10.748 895 1HB CYS 24 2HB CYS 24 14.332 -3.311 12.188 896 2HB CYS 24 1HB CYS 24 13.423 -2.812 10.766 897 HG CYS 24 HG CYS 24 12.052 -4.786 11.217 898 H ALA 25 H ALA 25 14.728 -2.302 8.357 899 HA ALA 25 HA ALA 25 13.418 -4.206 6.690 900 1HB ALA 25 1HB ALA 25 13.110 -1.658 6.724 901 2HB ALA 25 2HB ALA 25 13.137 -2.460 5.152 902 3HB ALA 25 3HB ALA 25 14.566 -1.601 5.728 903 H THR 26 H THR 26 16.626 -2.778 6.860 904 HA THR 26 HA THR 26 17.679 -3.803 4.496 905 HB THR 26 HB THR 26 19.094 -3.246 7.108 906 HG1 THR 26 1HG THR 26 18.959 -1.579 4.833 907 1HG2 THR 26 1HG2 THR 26 20.359 -4.618 5.354 908 2HG2 THR 26 2HG2 THR 26 21.132 -3.171 6.004 909 3HG2 THR 26 3HG2 THR 26 20.378 -3.130 4.411 910 H GLN 27 H GLN 27 17.613 -5.151 7.760 911 HA GLN 27 HA GLN 27 19.052 -7.497 7.231 912 1HB GLN 27 2HB GLN 27 16.808 -7.044 9.209 913 2HB GLN 27 1HB GLN 27 17.900 -8.421 9.222 914 1HG GLN 27 2HG GLN 27 18.687 -5.542 9.609 915 2HG GLN 27 1HG GLN 27 18.542 -6.759 10.875 916 1HE2 GLN 27 1HE2 GLN 27 20.691 -5.157 9.040 917 2HE2 GLN 27 2HE2 GLN 27 21.989 -6.296 9.021 918 H ALA 28 H ALA 28 15.582 -6.814 7.141 919 HA ALA 28 HA ALA 28 14.534 -9.257 6.501 920 1HB ALA 28 1HB ALA 28 13.772 -6.462 5.908 921 2HB ALA 28 2HB ALA 28 12.870 -7.732 6.735 922 3HB ALA 28 3HB ALA 28 12.968 -7.724 4.974 923 H LEU 29 H LEU 29 16.015 -6.921 4.305 924 HA LEU 29 HA LEU 29 15.537 -8.394 1.944 925 1HB LEU 29 2HB LEU 29 17.519 -6.256 2.658 926 2HB LEU 29 1HB LEU 29 17.510 -7.006 1.072 927 HG LEU 29 HG LEU 29 15.083 -5.677 2.245 928 1HD1 LEU 29 1HD1 LEU 29 15.724 -3.638 1.506 929 2HD1 LEU 29 2HD1 LEU 29 16.618 -4.298 0.138 930 3HD1 LEU 29 3HD1 LEU 29 17.343 -4.297 1.746 931 1HD2 LEU 29 1HD2 LEU 29 15.869 -6.596 -0.509 932 2HD2 LEU 29 2HD2 LEU 29 14.495 -5.534 -0.195 933 3HD2 LEU 29 3HD2 LEU 29 14.524 -7.161 0.484 934 H GLU 30 H GLU 30 18.240 -8.280 4.194 935 HA GLU 30 HA GLU 30 19.964 -9.977 2.752 936 1HB GLU 30 2HB GLU 30 19.853 -9.429 5.720 937 2HB GLU 30 1HB GLU 30 21.193 -10.195 4.878 938 1HG GLU 30 2HG GLU 30 21.550 -8.158 3.582 939 2HG GLU 30 1HG GLU 30 20.206 -7.389 4.426 940 H LYS 31 H LYS 31 17.470 -10.642 5.161 941 HA LYS 31 HA LYS 31 18.169 -13.443 5.209 942 1HB LYS 31 2HB LYS 31 16.139 -13.598 6.747 943 2HB LYS 31 1HB LYS 31 17.535 -12.702 7.322 944 1HG LYS 31 2HG LYS 31 16.452 -10.616 6.853 945 2HG LYS 31 1HG LYS 31 15.093 -11.440 6.100 946 1HD LYS 31 2HD LYS 31 14.606 -12.530 8.262 947 2HD LYS 31 1HD LYS 31 15.932 -11.624 8.989 948 1HE LYS 31 2HE LYS 31 14.796 -9.529 8.456 949 2HE LYS 31 1HE LYS 31 13.474 -10.431 7.716 950 1HZ LYS 31 1HZ LYS 31 14.248 -10.875 10.532 951 2HZ LYS 31 2HZ LYS 31 12.784 -11.246 9.769 952 3HZ LYS 31 3HZ LYS 31 13.179 -9.636 10.101 953 H TYR 32 H TYR 32 15.647 -11.428 3.782 954 HA TYR 32 HA TYR 32 14.629 -13.881 2.512 955 1HB TYR 32 2HB TYR 32 13.110 -11.398 3.292 956 2HB TYR 32 1HB TYR 32 12.459 -12.622 2.209 957 HD1 TYR 32 1HD TYR 32 13.765 -12.127 5.650 958 HD2 TYR 32 2HD TYR 32 11.400 -14.525 3.064 959 HE1 TYR 32 1HE TYR 32 12.956 -13.399 7.591 960 HE2 TYR 32 2HE TYR 32 10.583 -15.809 4.992 961 HH TYR 32 HH TYR 32 11.431 -16.339 7.344 962 H ASN 33 H ASN 33 15.153 -10.410 2.005 963 HA ASN 33 HA ASN 33 15.689 -9.223 0.137 964 1HB ASN 33 2HB ASN 33 17.415 -10.971 -0.197 965 2HB ASN 33 1HB ASN 33 16.249 -11.930 -1.101 966 1HD2 ASN 33 1HD2 ASN 33 16.503 -11.806 -3.195 967 2HD2 ASN 33 2HD2 ASN 33 17.064 -10.432 -4.080 968 H ILE 34 H ILE 34 13.004 -9.724 0.591 969 HA ILE 34 HA ILE 34 11.980 -9.563 -2.134 970 HB ILE 34 HB ILE 34 10.798 -11.475 -0.117 971 1HG1 ILE 34 2HG1 ILE 34 12.225 -11.999 -2.734 972 2HG1 ILE 34 1HG1 ILE 34 12.861 -12.339 -1.128 973 1HG2 ILE 34 1HG2 ILE 34 9.320 -12.117 -2.026 974 2HG2 ILE 34 2HG2 ILE 34 9.943 -10.722 -2.906 975 3HG2 ILE 34 3HG2 ILE 34 9.044 -10.489 -1.406 976 1HD1 ILE 34 1HD1 ILE 34 11.818 -14.242 -2.542 977 2HD1 ILE 34 2HD1 ILE 34 10.286 -13.567 -1.988 978 3HD1 ILE 34 3HD1 ILE 34 11.469 -14.142 -0.815 979 H GLU 35 H GLU 35 10.769 -7.814 -2.252 980 HA GLU 35 HA GLU 35 10.137 -6.069 -0.276 981 1HB GLU 35 2HB GLU 35 8.484 -5.089 -1.750 982 2HB GLU 35 1HB GLU 35 9.880 -5.606 -2.683 983 1HG GLU 35 2HG GLU 35 7.281 -7.106 -2.448 984 2HG GLU 35 1HG GLU 35 7.768 -6.102 -3.810 985 H LYS 36 H LYS 36 8.056 -8.740 -1.370 986 HA LYS 36 HA LYS 36 5.831 -8.154 0.215 987 1HB LYS 36 2HB LYS 36 5.756 -9.813 -1.573 988 2HB LYS 36 1HB LYS 36 6.869 -10.841 -0.685 989 1HG LYS 36 2HG LYS 36 5.138 -10.920 1.152 990 2HG LYS 36 1HG LYS 36 4.027 -10.162 0.008 991 1HD LYS 36 2HD LYS 36 3.624 -12.491 -0.109 992 2HD LYS 36 1HD LYS 36 4.535 -12.072 -1.558 993 1HE LYS 36 2HE LYS 36 5.868 -13.100 0.929 994 2HE LYS 36 1HE LYS 36 5.229 -14.183 -0.307 995 1HZ LYS 36 1HZ LYS 36 6.713 -12.447 -1.746 996 2HZ LYS 36 2HZ LYS 36 7.238 -13.965 -1.218 997 3HZ LYS 36 3HZ LYS 36 7.621 -12.583 -0.323 998 H ASP 37 H ASP 37 8.444 -10.478 0.873 999 HA ASP 37 HA ASP 37 7.614 -11.145 3.458 1000 1HB ASP 37 2HB ASP 37 10.405 -11.244 2.299 1001 2HB ASP 37 1HB ASP 37 9.857 -12.096 3.738 1002 H ILE 38 H ILE 38 9.820 -8.610 2.332 1003 HA ILE 38 HA ILE 38 10.988 -7.782 4.667 1004 HB ILE 38 HB ILE 38 9.922 -6.055 2.432 1005 1HG1 ILE 38 2HG1 ILE 38 12.739 -6.975 3.029 1006 2HG1 ILE 38 1HG1 ILE 38 11.677 -7.744 1.859 1007 1HG2 ILE 38 1HG2 ILE 38 11.907 -4.576 3.457 1008 2HG2 ILE 38 2HG2 ILE 38 11.329 -5.349 4.933 1009 3HG2 ILE 38 3HG2 ILE 38 10.221 -4.398 3.942 1010 1HD1 ILE 38 1HD1 ILE 38 13.250 -5.300 1.647 1011 2HD1 ILE 38 2HD1 ILE 38 11.595 -5.144 1.060 1012 3HD1 ILE 38 3HD1 ILE 38 12.653 -6.385 0.390 1013 H ALA 39 H ALA 39 7.805 -6.774 3.453 1014 HA ALA 39 HA ALA 39 7.168 -5.085 5.604 1015 1HB ALA 39 1HB ALA 39 5.326 -6.569 3.735 1016 2HB ALA 39 2HB ALA 39 6.000 -4.960 3.482 1017 3HB ALA 39 3HB ALA 39 4.856 -5.239 4.794 1018 H ALA 40 H ALA 40 6.663 -8.538 5.103 1019 HA ALA 40 HA ALA 40 4.904 -8.990 7.241 1020 1HB ALA 40 1HB ALA 40 6.830 -11.133 6.618 1021 2HB ALA 40 2HB ALA 40 5.876 -10.527 5.265 1022 3HB ALA 40 3HB ALA 40 5.070 -11.172 6.695 1023 H HIS 41 H HIS 41 8.443 -9.175 7.093 1024 HA HIS 41 HA HIS 41 8.854 -10.042 9.739 1025 1HB HIS 41 2HB HIS 41 10.840 -8.306 8.319 1026 2HB HIS 41 1HB HIS 41 11.124 -9.695 9.364 1027 HD1 HIS 41 1HD HIS 41 9.651 -11.918 8.075 1028 HD2 HIS 41 2HD HIS 41 11.622 -9.018 5.859 1029 HE1 HIS 41 1HE HIS 41 10.043 -12.949 5.815 1030 HE2 HIS 41 2HE HIS 41 11.327 -11.206 4.526 1031 H ILE 42 H ILE 42 9.352 -6.792 8.369 1032 HA ILE 42 HA ILE 42 9.802 -5.483 10.788 1033 HB ILE 42 HB ILE 42 8.638 -4.345 8.244 1034 1HG1 ILE 42 2HG1 ILE 42 11.494 -4.500 9.223 1035 2HG1 ILE 42 1HG1 ILE 42 10.803 -5.455 7.915 1036 1HG2 ILE 42 1HG2 ILE 42 9.766 -3.045 10.704 1037 2HG2 ILE 42 2HG2 ILE 42 8.226 -2.737 9.902 1038 3HG2 ILE 42 3HG2 ILE 42 9.734 -2.222 9.145 1039 1HD1 ILE 42 1HD1 ILE 42 11.453 -3.873 6.518 1040 2HD1 ILE 42 2HD1 ILE 42 11.942 -2.830 7.852 1041 3HD1 ILE 42 3HD1 ILE 42 10.280 -2.789 7.265 1042 H LYS 43 H LYS 43 6.784 -6.179 9.107 1043 HA LYS 43 HA LYS 43 5.104 -4.495 10.573 1044 1HB LYS 43 2HB LYS 43 4.381 -5.549 8.513 1045 2HB LYS 43 1HB LYS 43 4.486 -7.139 9.254 1046 1HG LYS 43 2HG LYS 43 2.689 -6.546 10.795 1047 2HG LYS 43 1HG LYS 43 2.594 -4.941 10.066 1048 1HD LYS 43 2HD LYS 43 1.991 -5.948 7.922 1049 2HD LYS 43 1HD LYS 43 2.103 -7.555 8.642 1050 1HE LYS 43 2HE LYS 43 0.187 -5.375 9.464 1051 2HE LYS 43 1HE LYS 43 -0.217 -6.796 8.501 1052 1HZ LYS 43 1HZ LYS 43 -0.827 -7.113 10.805 1053 2HZ LYS 43 2HZ LYS 43 0.762 -6.816 11.305 1054 3HZ LYS 43 3HZ LYS 43 0.408 -8.189 10.384 1055 H LYS 44 H LYS 44 5.542 -8.032 11.070 1056 HA LYS 44 HA LYS 44 4.052 -8.014 13.472 1057 1HB LYS 44 2HB LYS 44 4.831 -10.286 13.814 1058 2HB LYS 44 1HB LYS 44 4.356 -10.046 12.140 1059 1HG LYS 44 2HG LYS 44 6.635 -9.956 11.433 1060 2HG LYS 44 1HG LYS 44 7.204 -9.944 13.105 1061 1HD LYS 44 2HD LYS 44 6.270 -12.182 13.440 1062 2HD LYS 44 1HD LYS 44 5.696 -12.195 11.772 1063 1HE LYS 44 2HE LYS 44 8.589 -11.923 12.574 1064 2HE LYS 44 1HE LYS 44 7.820 -13.447 12.132 1065 1HZ LYS 44 1HZ LYS 44 9.069 -11.836 10.405 1066 2HZ LYS 44 2HZ LYS 44 7.475 -11.299 10.223 1067 3HZ LYS 44 3HZ LYS 44 7.853 -12.927 9.968 1068 H GLU 45 H GLU 45 7.546 -7.843 12.892 1069 HA GLU 45 HA GLU 45 8.426 -8.165 15.499 1070 1HB GLU 45 2HB GLU 45 9.551 -6.464 13.275 1071 2HB GLU 45 1HB GLU 45 10.387 -6.743 14.797 1072 1HG GLU 45 2HG GLU 45 9.547 -8.894 12.868 1073 2HG GLU 45 1HG GLU 45 11.167 -8.211 12.989 1074 H PHE 46 H PHE 46 7.490 -5.118 13.885 1075 HA PHE 46 HA PHE 46 7.940 -3.558 16.230 1076 1HB PHE 46 2HB PHE 46 6.575 -2.984 13.619 1077 2HB PHE 46 1HB PHE 46 6.616 -1.806 14.927 1078 HD1 PHE 46 1HD PHE 46 9.053 -4.100 13.259 1079 HD2 PHE 46 2HD PHE 46 8.210 -0.191 14.711 1080 HE1 PHE 46 1HE PHE 46 11.278 -3.352 12.530 1081 HE2 PHE 46 2HE PHE 46 10.435 0.565 13.983 1082 HZ PHE 46 HZ PHE 46 11.972 -1.018 12.890 1083 H ASP 47 H ASP 47 5.012 -4.854 14.708 1084 HA ASP 47 HA ASP 47 3.157 -3.681 16.435 1085 1HB ASP 47 2HB ASP 47 3.086 -6.260 14.874 1086 2HB ASP 47 1HB ASP 47 1.721 -5.716 15.845 1087 H LYS 48 H LYS 48 5.194 -6.487 16.828 1088 HA LYS 48 HA LYS 48 3.894 -7.468 19.169 1089 1HB LYS 48 2HB LYS 48 5.359 -8.727 17.461 1090 2HB LYS 48 1HB LYS 48 6.725 -8.056 18.336 1091 1HG LYS 48 2HG LYS 48 4.588 -9.818 19.507 1092 2HG LYS 48 1HG LYS 48 6.206 -10.332 19.034 1093 1HD LYS 48 2HD LYS 48 5.507 -8.349 21.188 1094 2HD LYS 48 1HD LYS 48 6.109 -9.985 21.426 1095 1HE LYS 48 2HE LYS 48 8.198 -9.376 20.299 1096 2HE LYS 48 1HE LYS 48 7.595 -7.735 20.073 1097 1HZ LYS 48 1HZ LYS 48 8.446 -9.073 22.552 1098 2HZ LYS 48 2HZ LYS 48 7.332 -7.801 22.629 1099 3HZ LYS 48 3HZ LYS 48 8.864 -7.542 21.963 1100 H LYS 49 H LYS 49 6.849 -5.620 18.538 1101 HA LYS 49 HA LYS 49 7.484 -5.347 21.323 1102 1HB LYS 49 2HB LYS 49 8.669 -3.971 18.919 1103 2HB LYS 49 1HB LYS 49 9.341 -3.950 20.544 1104 1HG LYS 49 2HG LYS 49 9.602 -6.404 20.419 1105 2HG LYS 49 1HG LYS 49 9.030 -6.345 18.751 1106 1HD LYS 49 2HD LYS 49 10.900 -4.904 18.145 1107 2HD LYS 49 1HD LYS 49 11.463 -4.913 19.817 1108 1HE LYS 49 2HE LYS 49 12.743 -6.480 18.454 1109 2HE LYS 49 1HE LYS 49 11.816 -7.325 19.692 1110 1HZ LYS 49 1HZ LYS 49 11.777 -7.751 16.944 1111 2HZ LYS 49 2HZ LYS 49 10.264 -7.120 17.354 1112 3HZ LYS 49 3HZ LYS 49 10.835 -8.513 18.124 1113 H TYR 50 H TYR 50 6.733 -2.947 18.817 1114 HA TYR 50 HA TYR 50 6.255 -0.935 20.826 1115 1HB TYR 50 2HB TYR 50 6.070 -0.822 17.817 1116 2HB TYR 50 1HB TYR 50 5.862 0.563 18.884 1117 HD1 TYR 50 1HD TYR 50 8.333 -2.203 18.390 1118 HD2 TYR 50 2HD TYR 50 7.698 1.937 19.116 1119 HE1 TYR 50 1HE TYR 50 10.758 -1.846 18.389 1120 HE2 TYR 50 2HE TYR 50 10.129 2.314 19.109 1121 HH TYR 50 HH TYR 50 12.181 1.089 18.051 1122 H ASN 51 H ASN 51 4.333 -3.249 19.270 1123 HA ASN 51 HA ASN 51 2.116 -3.724 19.704 1124 1HB ASN 51 2HB ASN 51 1.795 -0.843 20.575 1125 2HB ASN 51 1HB ASN 51 0.586 -2.113 20.709 1126 1HD2 ASN 51 1HD2 ASN 51 0.391 -2.895 22.660 1127 2HD2 ASN 51 2HD2 ASN 51 1.650 -3.053 23.832 1128 HA PRO 52 HA PRO 52 0.823 -2.719 15.643 1129 1HB PRO 52 2HB PRO 52 -1.877 -3.264 15.891 1130 2HB PRO 52 1HB PRO 52 -0.626 -4.481 15.616 1131 1HG PRO 52 2HG PRO 52 -1.937 -3.655 18.174 1132 2HG PRO 52 1HG PRO 52 -1.510 -5.280 17.606 1133 1HD PRO 52 2HD PRO 52 -0.008 -3.997 19.415 1134 2HD PRO 52 1HD PRO 52 0.727 -5.022 18.166 1135 H THR 53 H THR 53 -1.387 0.097 15.207 1136 HA THR 53 HA THR 53 -0.495 -2.536 14.252 1137 HB THR 53 HB THR 53 -2.932 -2.250 14.241 1138 HG1 THR 53 1HG THR 53 -1.896 -2.158 11.606 1139 1HG2 THR 53 1HG2 THR 53 -2.354 0.343 13.276 1140 2HG2 THR 53 2HG2 THR 53 -3.918 -0.366 13.671 1141 3HG2 THR 53 3HG2 THR 53 -3.269 -0.512 12.040 1142 H TRP 54 H TRP 54 1.308 -2.357 13.118 1143 HA TRP 54 HA TRP 54 1.927 0.096 11.699 1144 1HB TRP 54 2HB TRP 54 3.555 -2.431 11.960 1145 2HB TRP 54 1HB TRP 54 4.120 -0.885 11.334 1146 HD1 TRP 54 HD TRP 54 2.474 -2.089 14.642 1147 HE1 TRP 54 1HE TRP 54 3.677 -0.918 16.585 1148 HE3 TRP 54 3HE TRP 54 5.778 0.733 11.958 1149 HZ2 TRP 54 2HZ TRP 54 5.750 0.970 16.934 1150 HZ3 TRP 54 3HZ TRP 54 7.337 2.202 13.171 1151 HH2 TRP 54 HH TRP 54 7.321 2.315 15.610 1152 H HIS 55 H HIS 55 1.518 0.435 9.656 1153 HA HIS 55 HA HIS 55 0.813 -1.822 7.927 1154 1HB HIS 55 2HB HIS 55 0.590 1.117 7.266 1155 2HB HIS 55 1HB HIS 55 -0.246 -0.231 6.502 1156 HD1 HIS 55 1HD HIS 55 -1.653 -1.638 8.661 1157 HD2 HIS 55 2HD HIS 55 -1.195 2.487 8.728 1158 HE1 HIS 55 1HE HIS 55 -3.493 -0.784 10.142 1159 HE2 HIS 55 2HE HIS 55 -3.310 1.724 10.006 1160 H CYS 56 H CYS 56 2.030 -2.316 6.084 1161 HA CYS 56 HA CYS 56 4.354 -0.594 5.571 1162 1HB CYS 56 2HB CYS 56 5.094 -2.422 7.033 1163 2HB CYS 56 1HB CYS 56 4.495 -3.597 5.866 1164 HG CYS 56 HG CYS 56 6.419 -2.070 4.338 1165 H ILE 57 H ILE 57 5.124 -0.521 3.535 1166 HA ILE 57 HA ILE 57 3.843 -2.145 1.453 1167 HB ILE 57 HB ILE 57 4.207 0.849 1.230 1168 1HG1 ILE 57 2HG1 ILE 57 2.425 0.267 2.850 1169 2HG1 ILE 57 1HG1 ILE 57 1.789 1.049 1.407 1170 1HG2 ILE 57 1HG2 ILE 57 2.835 -1.141 -0.570 1171 2HG2 ILE 57 2HG2 ILE 57 4.369 -0.330 -0.886 1172 3HG2 ILE 57 3HG2 ILE 57 2.875 0.605 -0.812 1173 1HD1 ILE 57 1HD1 ILE 57 0.334 -0.613 1.292 1174 2HD1 ILE 57 2HD1 ILE 57 1.199 -1.546 2.513 1175 3HD1 ILE 57 3HD1 ILE 57 1.679 -1.650 0.821 1176 H VAL 58 H VAL 58 5.228 -2.629 -0.281 1177 HA VAL 58 HA VAL 58 7.762 -1.241 -0.508 1178 HB VAL 58 HB VAL 58 7.737 -4.194 0.133 1179 1HG1 VAL 58 1HG1 VAL 58 10.123 -4.101 0.050 1180 2HG1 VAL 58 2HG1 VAL 58 10.101 -2.351 -0.171 1181 3HG1 VAL 58 3HG1 VAL 58 9.506 -3.408 -1.451 1182 1HG2 VAL 58 1HG2 VAL 58 7.272 -2.985 2.142 1183 2HG2 VAL 58 2HG2 VAL 58 8.548 -1.818 1.798 1184 3HG2 VAL 58 3HG2 VAL 58 8.962 -3.485 2.191 1185 H GLY 59 H GLY 59 8.542 -1.273 -2.547 1186 1HA GLY 59 2HA GLY 59 8.298 -3.348 -4.402 1187 2HA GLY 59 1HA GLY 59 6.918 -2.288 -4.638 1188 H ARG 60 H ARG 60 7.458 -1.478 -6.616 1189 HA ARG 60 HA ARG 60 9.474 0.588 -6.666 1190 1HB ARG 60 2HB ARG 60 9.749 -1.746 -8.565 1191 2HB ARG 60 1HB ARG 60 10.736 -0.294 -8.557 1192 1HG ARG 60 2HG ARG 60 11.576 -0.907 -6.328 1193 2HG ARG 60 1HG ARG 60 10.632 -2.396 -6.409 1194 1HD ARG 60 2HD ARG 60 12.796 -1.573 -8.334 1195 2HD ARG 60 1HD ARG 60 12.969 -2.767 -7.052 1196 HE ARG 60 HE ARG 60 11.889 -3.203 -9.623 1197 1HH1 ARG 60 1HH1 ARG 60 11.428 -4.111 -6.283 1198 2HH1 ARG 60 2HH1 ARG 60 10.647 -5.606 -6.668 1199 1HH2 ARG 60 1HH2 ARG 60 10.869 -5.173 -10.128 1200 2HH2 ARG 60 2HH2 ARG 60 10.332 -6.210 -8.850 1201 H ASN 61 H ASN 61 6.571 0.251 -7.091 1202 HA ASN 61 HA ASN 61 6.036 2.111 -9.005 1203 1HB ASN 61 2HB ASN 61 6.966 0.654 -10.718 1204 2HB ASN 61 1HB ASN 61 5.931 -0.669 -10.197 1205 1HD2 ASN 61 1HD2 ASN 61 4.187 -0.973 -11.342 1206 2HD2 ASN 61 2HD2 ASN 61 3.375 0.207 -12.311 1207 H PHE 62 H PHE 62 4.582 2.428 -7.201 1208 HA PHE 62 HA PHE 62 1.992 1.288 -7.681 1209 1HB PHE 62 2HB PHE 62 1.735 0.199 -5.505 1210 2HB PHE 62 1HB PHE 62 3.044 -0.533 -6.428 1211 HD1 PHE 62 1HD PHE 62 2.314 1.854 -3.695 1212 HD2 PHE 62 2HD PHE 62 5.229 -0.618 -5.565 1213 HE1 PHE 62 1HE PHE 62 3.861 2.269 -1.828 1214 HE2 PHE 62 2HE PHE 62 6.775 -0.212 -3.698 1215 HZ PHE 62 HZ PHE 62 6.094 1.233 -1.826 1216 H GLY 63 H GLY 63 0.397 2.549 -6.974 1217 1HA GLY 63 2HA GLY 63 1.107 5.004 -5.551 1218 2HA GLY 63 1HA GLY 63 -0.426 4.669 -6.352 1219 H SER 64 H SER 64 0.456 5.469 -3.460 1220 HA SER 64 HA SER 64 -1.364 3.544 -2.191 1221 1HB SER 64 2HB SER 64 1.295 4.407 -1.041 1222 2HB SER 64 1HB SER 64 0.096 3.417 -0.209 1223 HG SER 64 HG SER 64 1.837 2.253 -1.303 1224 H TYR 65 H TYR 65 -2.511 4.234 -0.428 1225 HA TYR 65 HA TYR 65 -2.259 6.975 0.506 1226 1HB TYR 65 2HB TYR 65 -3.816 6.940 -1.524 1227 2HB TYR 65 1HB TYR 65 -4.921 5.994 -0.536 1228 HD1 TYR 65 1HD TYR 65 -5.249 7.139 1.936 1229 HD2 TYR 65 2HD TYR 65 -4.298 9.172 -1.679 1230 HE1 TYR 65 1HE TYR 65 -6.170 9.218 2.868 1231 HE2 TYR 65 2HE TYR 65 -5.220 11.255 -0.756 1232 HH TYR 65 HH TYR 65 -5.658 12.250 1.467 1233 H VAL 66 H VAL 66 -2.708 7.076 2.637 1234 HA VAL 66 HA VAL 66 -4.510 5.217 3.940 1235 HB VAL 66 HB VAL 66 -1.581 5.224 4.684 1236 1HG1 VAL 66 1HG1 VAL 66 -3.979 3.859 5.823 1237 2HG1 VAL 66 2HG1 VAL 66 -2.740 4.792 6.648 1238 3HG1 VAL 66 3HG1 VAL 66 -2.369 3.182 6.032 1239 1HG2 VAL 66 1HG2 VAL 66 -3.205 3.165 3.200 1240 2HG2 VAL 66 2HG2 VAL 66 -1.629 2.839 3.921 1241 3HG2 VAL 66 3HG2 VAL 66 -1.778 4.030 2.627 1242 H THR 67 H THR 67 -4.612 5.662 6.336 1243 HA THR 67 HA THR 67 -3.935 8.477 6.920 1244 HB THR 67 HB THR 67 -6.291 6.849 7.919 1245 HG1 THR 67 1HG THR 67 -7.489 8.028 6.563 1246 1HG2 THR 67 1HG2 THR 67 -7.067 9.158 8.694 1247 2HG2 THR 67 2HG2 THR 67 -5.366 9.610 8.597 1248 3HG2 THR 67 3HG2 THR 67 -5.872 8.308 9.673 1249 H HIS 68 H HIS 68 -3.240 8.965 9.059 1250 HA HIS 68 HA HIS 68 -2.841 6.877 10.985 1251 1HB HIS 68 2HB HIS 68 -0.343 6.973 10.865 1252 2HB HIS 68 1HB HIS 68 -1.100 6.240 9.449 1253 HD1 HIS 68 1HD HIS 68 0.438 9.524 10.539 1254 HD2 HIS 68 2HD HIS 68 -0.540 7.464 7.067 1255 HE1 HIS 68 1HE HIS 68 1.369 10.902 8.656 1256 HE2 HIS 68 2HE HIS 68 0.661 9.698 6.563 1257 H GLU 69 H GLU 69 -2.324 7.648 12.989 1258 HA GLU 69 HA GLU 69 -2.727 10.391 13.528 1259 1HB GLU 69 2HB GLU 69 -2.197 9.835 15.835 1260 2HB GLU 69 1HB GLU 69 -3.229 8.591 15.142 1261 1HG GLU 69 2HG GLU 69 -1.302 7.152 14.807 1262 2HG GLU 69 1HG GLU 69 -0.245 8.407 15.449 1263 H THR 70 H THR 70 -1.255 11.915 14.462 1264 HA THR 70 HA THR 70 1.134 12.224 13.065 1265 HB THR 70 HB THR 70 1.662 13.988 14.764 1266 HG1 THR 70 1HG THR 70 0.766 13.726 16.625 1267 1HG2 THR 70 1HG2 THR 70 -0.271 14.058 12.838 1268 2HG2 THR 70 2HG2 THR 70 0.315 15.440 13.766 1269 3HG2 THR 70 3HG2 THR 70 -1.141 14.586 14.279 1270 H LYS 71 H LYS 71 3.310 12.184 13.726 1271 HA LYS 71 HA LYS 71 5.173 11.299 14.662 1272 1HB LYS 71 2HB LYS 71 3.401 10.837 17.066 1273 2HB LYS 71 1HB LYS 71 5.160 10.752 17.054 1274 1HG LYS 71 2HG LYS 71 3.464 13.191 16.559 1275 2HG LYS 71 1HG LYS 71 4.476 12.862 17.966 1276 1HD LYS 71 2HD LYS 71 6.471 12.953 16.605 1277 2HD LYS 71 1HD LYS 71 5.502 13.140 15.143 1278 1HE LYS 71 2HE LYS 71 5.663 15.089 17.437 1279 2HE LYS 71 1HE LYS 71 6.417 15.275 15.853 1280 1HZ LYS 71 1HZ LYS 71 4.543 16.419 15.432 1281 2HZ LYS 71 2HZ LYS 71 3.650 15.651 16.646 1282 3HZ LYS 71 3HZ LYS 71 3.881 14.887 15.155 1283 H HIS 72 H HIS 72 3.577 9.703 13.030 1284 HA HIS 72 HA HIS 72 4.663 7.139 13.616 1285 1HB HIS 72 2HB HIS 72 1.675 7.519 13.865 1286 2HB HIS 72 1HB HIS 72 2.418 5.950 13.567 1287 HD1 HIS 72 1HD HIS 72 4.531 5.585 15.491 1288 HD2 HIS 72 2HD HIS 72 1.161 7.793 16.502 1289 HE1 HIS 72 1HE HIS 72 4.457 5.587 18.003 1290 HE2 HIS 72 2HE HIS 72 2.448 6.987 18.593 1291 H PHE 73 H PHE 73 5.497 8.122 11.581 1292 HA PHE 73 HA PHE 73 4.293 6.849 9.324 1293 1HB PHE 73 2HB PHE 73 2.879 8.810 9.333 1294 2HB PHE 73 1HB PHE 73 4.272 9.867 9.502 1295 HD1 PHE 73 1HD PHE 73 3.432 11.140 7.572 1296 HD2 PHE 73 2HD PHE 73 4.558 7.051 7.226 1297 HE1 PHE 73 1HE PHE 73 3.547 11.382 5.126 1298 HE2 PHE 73 2HE PHE 73 4.681 7.287 4.783 1299 HZ PHE 73 HZ PHE 73 4.173 9.454 3.729 1300 H ILE 74 H ILE 74 5.957 6.163 8.085 1301 HA ILE 74 HA ILE 74 8.242 7.906 7.673 1302 HB ILE 74 HB ILE 74 8.878 6.699 9.698 1303 1HG1 ILE 74 2HG1 ILE 74 10.381 5.739 7.249 1304 2HG1 ILE 74 1HG1 ILE 74 10.604 7.297 8.040 1305 1HG2 ILE 74 1HG2 ILE 74 7.691 4.702 9.684 1306 2HG2 ILE 74 2HG2 ILE 74 9.349 4.186 9.373 1307 3HG2 ILE 74 3HG2 ILE 74 8.195 4.298 8.043 1308 1HD1 ILE 74 1HD1 ILE 74 11.129 5.887 10.132 1309 2HD1 ILE 74 2HD1 ILE 74 12.348 6.042 8.868 1310 3HD1 ILE 74 3HD1 ILE 74 11.376 4.576 8.981 1311 H TYR 75 H TYR 75 9.316 7.547 5.809 1312 HA TYR 75 HA TYR 75 8.787 5.158 4.228 1313 1HB TYR 75 2HB TYR 75 6.993 6.751 3.607 1314 2HB TYR 75 1HB TYR 75 8.217 7.948 3.198 1315 HD1 TYR 75 1HD TYR 75 7.534 4.358 2.384 1316 HD2 TYR 75 2HD TYR 75 8.586 8.222 0.950 1317 HE1 TYR 75 1HE TYR 75 7.617 3.477 0.089 1318 HE2 TYR 75 2HE TYR 75 8.671 7.353 -1.348 1319 HH TYR 75 HH TYR 75 7.930 5.560 -2.669 1320 H PHE 76 H PHE 76 10.504 4.639 2.901 1321 HA PHE 76 HA PHE 76 12.467 6.551 2.115 1322 1HB PHE 76 2HB PHE 76 14.342 5.619 3.451 1323 2HB PHE 76 1HB PHE 76 13.118 6.408 4.440 1324 HD1 PHE 76 1HD PHE 76 14.037 3.030 3.151 1325 HD2 PHE 76 2HD PHE 76 12.348 5.322 6.314 1326 HE1 PHE 76 1HE PHE 76 13.833 0.992 4.514 1327 HE2 PHE 76 2HE PHE 76 12.144 3.289 7.683 1328 HZ PHE 76 HZ PHE 76 12.886 1.120 6.783 1329 H TYR 77 H TYR 77 13.727 5.825 0.486 1330 HA TYR 77 HA TYR 77 13.097 3.226 -0.610 1331 1HB TYR 77 2HB TYR 77 14.859 5.466 -1.623 1332 2HB TYR 77 1HB TYR 77 14.566 3.968 -2.501 1333 HD1 TYR 77 1HD TYR 77 12.578 6.664 -0.821 1334 HD2 TYR 77 2HD TYR 77 12.954 4.025 -4.137 1335 HE1 TYR 77 1HE TYR 77 10.560 7.643 -1.825 1336 HE2 TYR 77 2HE TYR 77 10.937 5.001 -5.151 1337 HH TYR 77 HH TYR 77 9.715 7.302 -4.971 1338 H LEU 78 H LEU 78 14.595 1.573 -1.040 1339 HA LEU 78 HA LEU 78 17.330 1.719 -0.289 1340 1HB LEU 78 2HB LEU 78 16.325 1.723 1.950 1341 2HB LEU 78 1HB LEU 78 15.484 0.234 1.579 1342 HG LEU 78 HG LEU 78 17.679 -0.902 1.331 1343 1HD1 LEU 78 1HD1 LEU 78 18.694 1.657 1.178 1344 2HD1 LEU 78 2HD1 LEU 78 19.628 0.174 1.367 1345 3HD1 LEU 78 3HD1 LEU 78 19.177 1.117 2.787 1346 1HD2 LEU 78 1HD2 LEU 78 17.991 0.127 4.020 1347 2HD2 LEU 78 2HD2 LEU 78 17.516 -1.481 3.475 1348 3HD2 LEU 78 3HD2 LEU 78 16.303 -0.213 3.640 1349 H GLY 79 H GLY 79 18.493 -0.058 -0.969 1350 1HA GLY 79 2HA GLY 79 18.936 -1.921 -2.234 1351 2HA GLY 79 1HA GLY 79 17.543 -2.630 -1.431 1352 H GLN 80 H GLN 80 17.645 0.135 -3.623 1353 HA GLN 80 HA GLN 80 16.547 0.574 -5.560 1354 1HB GLN 80 2HB GLN 80 18.152 -1.182 -6.339 1355 2HB GLN 80 1HB GLN 80 16.897 -2.385 -6.082 1356 1HG GLN 80 2HG GLN 80 15.500 -1.310 -7.759 1357 2HG GLN 80 1HG GLN 80 16.723 -0.063 -7.990 1358 1HE2 GLN 80 1HE2 GLN 80 17.891 -0.349 -9.736 1359 2HE2 GLN 80 2HE2 GLN 80 18.338 -1.865 -10.434 1360 H VAL 81 H VAL 81 14.962 -0.006 -3.266 1361 HA VAL 81 HA VAL 81 12.442 -0.504 -4.572 1362 HB VAL 81 HB VAL 81 11.704 -2.260 -2.992 1363 1HG1 VAL 81 1HG1 VAL 81 12.488 -2.831 -5.248 1364 2HG1 VAL 81 2HG1 VAL 81 12.802 -4.117 -4.086 1365 3HG1 VAL 81 3HG1 VAL 81 14.115 -3.065 -4.612 1366 1HG2 VAL 81 1HG2 VAL 81 13.279 -3.486 -1.653 1367 2HG2 VAL 81 2HG2 VAL 81 13.389 -1.777 -1.235 1368 3HG2 VAL 81 3HG2 VAL 81 14.617 -2.514 -2.263 1369 H ALA 82 H ALA 82 10.876 0.676 -3.654 1370 HA ALA 82 HA ALA 82 11.533 2.382 -1.447 1371 1HB ALA 82 1HB ALA 82 9.627 2.365 -3.561 1372 2HB ALA 82 2HB ALA 82 10.059 3.684 -2.472 1373 3HB ALA 82 3HB ALA 82 8.771 2.562 -2.032 1374 H ILE 83 H ILE 83 10.846 2.296 0.635 1375 HA ILE 83 HA ILE 83 9.083 0.059 1.390 1376 HB ILE 83 HB ILE 83 11.413 1.067 3.028 1377 1HG1 ILE 83 2HG1 ILE 83 12.171 -1.399 2.575 1378 2HG1 ILE 83 1HG1 ILE 83 11.120 -1.267 1.168 1379 1HG2 ILE 83 1HG2 ILE 83 10.047 0.246 4.641 1380 2HG2 ILE 83 2HG2 ILE 83 10.795 -1.271 4.142 1381 3HG2 ILE 83 3HG2 ILE 83 9.200 -0.832 3.533 1382 1HD1 ILE 83 1HD1 ILE 83 13.311 -0.740 0.462 1383 2HD1 ILE 83 2HD1 ILE 83 13.550 0.370 1.811 1384 3HD1 ILE 83 3HD1 ILE 83 12.420 0.778 0.523 1385 H LEU 84 H LEU 84 7.534 0.471 2.903 1386 HA LEU 84 HA LEU 84 7.455 3.161 4.085 1387 1HB LEU 84 2HB LEU 84 5.978 3.144 2.138 1388 2HB LEU 84 1HB LEU 84 5.152 1.727 2.758 1389 HG LEU 84 HG LEU 84 4.365 3.053 4.693 1390 1HD1 LEU 84 1HD1 LEU 84 5.066 5.119 5.153 1391 2HD1 LEU 84 2HD1 LEU 84 4.924 5.639 3.474 1392 3HD1 LEU 84 3HD1 LEU 84 6.375 4.798 4.016 1393 1HD2 LEU 84 1HD2 LEU 84 3.501 4.680 2.387 1394 2HD2 LEU 84 2HD2 LEU 84 2.548 3.780 3.567 1395 3HD2 LEU 84 3HD2 LEU 84 3.316 2.934 2.224 1396 H LEU 85 H LEU 85 6.545 3.294 6.136 1397 HA LEU 85 HA LEU 85 5.245 1.021 7.325 1398 1HB LEU 85 2HB LEU 85 7.604 0.358 7.479 1399 2HB LEU 85 1HB LEU 85 7.966 1.850 8.328 1400 HG LEU 85 HG LEU 85 6.456 1.128 10.165 1401 1HD1 LEU 85 1HD1 LEU 85 4.929 -0.341 9.226 1402 2HD1 LEU 85 2HD1 LEU 85 5.992 -1.406 10.144 1403 3HD1 LEU 85 3HD1 LEU 85 6.179 -1.268 8.396 1404 1HD2 LEU 85 1HD2 LEU 85 8.618 0.700 10.754 1405 2HD2 LEU 85 2HD2 LEU 85 8.904 -0.353 9.368 1406 3HD2 LEU 85 3HD2 LEU 85 7.986 -0.946 10.751 1407 H PHE 86 H PHE 86 4.009 1.576 9.049 1408 HA PHE 86 HA PHE 86 4.476 3.737 10.780 1409 1HB PHE 86 2HB PHE 86 2.800 5.341 9.999 1410 2HB PHE 86 1HB PHE 86 4.060 5.106 8.794 1411 HD1 PHE 86 1HD PHE 86 3.468 3.107 7.077 1412 HD2 PHE 86 2HD PHE 86 0.665 5.469 9.230 1413 HE1 PHE 86 1HE PHE 86 1.755 2.599 5.391 1414 HE2 PHE 86 2HE PHE 86 -1.055 4.969 7.546 1415 HZ PHE 86 HZ PHE 86 -0.510 3.532 5.622 1416 H LYS 87 H LYS 87 3.301 3.400 12.570 1417 HA LYS 87 HA LYS 87 1.309 1.331 12.558 1418 1HB LYS 87 2HB LYS 87 1.278 1.516 14.940 1419 2HB LYS 87 1HB LYS 87 2.952 1.614 14.413 1420 1HG LYS 87 2HG LYS 87 3.077 3.908 14.865 1421 2HG LYS 87 1HG LYS 87 1.322 4.073 14.958 1422 1HD LYS 87 2HD LYS 87 2.246 4.134 17.188 1423 2HD LYS 87 1HD LYS 87 1.335 2.638 16.971 1424 1HE LYS 87 2HE LYS 87 3.401 1.421 16.574 1425 2HE LYS 87 1HE LYS 87 4.329 2.910 16.744 1426 1HZ LYS 87 1HZ LYS 87 2.563 2.134 18.945 1427 2HZ LYS 87 2HZ LYS 87 4.053 2.932 18.988 1428 3HZ LYS 87 3HZ LYS 87 3.997 1.259 18.743 1429 H SER 88 H SER 88 -0.798 1.596 13.643 1430 HA SER 88 HA SER 88 -1.938 4.275 13.456 1431 1HB SER 88 2HB SER 88 -3.080 1.881 11.998 1432 2HB SER 88 1HB SER 88 -3.857 3.459 12.130 1433 HG SER 88 HG SER 88 -1.325 2.973 10.939 1434 H GLY 89 H GLY 89 -3.426 4.676 14.998 1435 1HA GLY 89 2HA GLY 89 -5.158 2.786 16.149 1436 2HA GLY 89 1HA GLY 89 -3.735 2.928 17.171 1437 1H MET 1 1HT MET 1 -10.086 -10.292 12.458 1438 2H MET 1 2HT MET 1 -10.540 -8.852 13.273 1439 3H MET 1 3HT MET 1 -9.490 -9.978 14.033 1440 HA MET 1 HA MET 1 -8.974 -8.123 11.840 1441 1HB MET 1 2HB MET 1 -7.532 -8.884 14.389 1442 2HB MET 1 1HB MET 1 -6.996 -7.653 13.253 1443 1HG MET 1 2HG MET 1 -9.015 -6.359 13.692 1444 2HG MET 1 1HG MET 1 -9.564 -7.594 14.821 1445 1HE MET 1 1HE MET 1 -7.167 -7.347 17.771 1446 2HE MET 1 2HE MET 1 -6.532 -8.211 16.371 1447 3HE MET 1 3HE MET 1 -8.233 -8.370 16.807 1448 H LYS 2 H LYS 2 -7.422 -8.523 10.339 1449 HA LYS 2 HA LYS 2 -5.662 -10.798 10.559 1450 1HB LYS 2 2HB LYS 2 -7.799 -10.689 8.426 1451 2HB LYS 2 1HB LYS 2 -6.402 -11.755 8.362 1452 1HG LYS 2 2HG LYS 2 -8.510 -11.771 10.510 1453 2HG LYS 2 1HG LYS 2 -8.408 -12.901 9.159 1454 1HD LYS 2 2HD LYS 2 -6.313 -12.529 11.300 1455 2HD LYS 2 1HD LYS 2 -7.476 -13.854 11.220 1456 1HE LYS 2 2HE LYS 2 -5.354 -13.226 9.171 1457 2HE LYS 2 1HE LYS 2 -5.297 -14.532 10.355 1458 1HZ LYS 2 1HZ LYS 2 -6.151 -15.701 8.653 1459 2HZ LYS 2 2HZ LYS 2 -6.794 -14.345 7.875 1460 3HZ LYS 2 3HZ LYS 2 -7.620 -15.044 9.173 1461 H ASP 3 H ASP 3 -3.814 -10.505 9.481 1462 HA ASP 3 HA ASP 3 -3.396 -7.953 8.256 1463 1HB ASP 3 2HB ASP 3 -1.032 -8.737 8.031 1464 2HB ASP 3 1HB ASP 3 -1.659 -8.796 9.675 1465 H THR 4 H THR 4 -3.623 -7.463 6.200 1466 HA THR 4 HA THR 4 -4.192 -9.424 4.214 1467 HB THR 4 HB THR 4 -5.151 -7.126 4.238 1468 HG1 THR 4 1HG THR 4 -4.608 -6.727 1.927 1469 1HG2 THR 4 1HG2 THR 4 -2.833 -6.094 4.814 1470 2HG2 THR 4 2HG2 THR 4 -3.980 -5.211 3.807 1471 3HG2 THR 4 3HG2 THR 4 -2.631 -6.069 3.064 1472 H GLY 5 H GLY 5 -2.903 -10.130 2.519 1473 1HA GLY 5 2HA GLY 5 -0.110 -9.192 2.499 1474 2HA GLY 5 1HA GLY 5 -0.452 -10.914 2.605 1475 H ILE 6 H ILE 6 0.765 -8.937 0.532 1476 HA ILE 6 HA ILE 6 -0.286 -10.377 -1.750 1477 HB ILE 6 HB ILE 6 -0.787 -8.386 -3.078 1478 1HG1 ILE 6 2HG1 ILE 6 -0.490 -6.843 -0.492 1479 2HG1 ILE 6 1HG1 ILE 6 0.694 -6.835 -1.798 1480 1HG2 ILE 6 1HG2 ILE 6 -2.402 -8.255 -0.547 1481 2HG2 ILE 6 2HG2 ILE 6 -2.519 -9.601 -1.681 1482 3HG2 ILE 6 3HG2 ILE 6 -2.934 -7.969 -2.205 1483 1HD1 ILE 6 1HD1 ILE 6 -1.154 -5.993 -3.290 1484 2HD1 ILE 6 2HD1 ILE 6 -0.580 -4.879 -2.047 1485 3HD1 ILE 6 3HD1 ILE 6 -2.100 -5.746 -1.822 1486 H GLN 7 H GLN 7 0.858 -9.661 -3.802 1487 HA GLN 7 HA GLN 7 3.398 -8.371 -3.537 1488 1HB GLN 7 2HB GLN 7 4.758 -10.364 -4.136 1489 2HB GLN 7 1HB GLN 7 4.039 -10.466 -2.535 1490 1HG GLN 7 2HG GLN 7 2.341 -11.968 -3.334 1491 2HG GLN 7 1HG GLN 7 2.901 -11.780 -4.993 1492 1HE2 GLN 7 1HE2 GLN 7 2.920 -13.804 -2.457 1493 2HE2 GLN 7 2HE2 GLN 7 4.382 -14.672 -2.764 1494 H VAL 8 H VAL 8 1.951 -7.322 -5.232 1495 HA VAL 8 HA VAL 8 1.554 -8.651 -7.718 1496 HB VAL 8 HB VAL 8 1.627 -5.677 -7.171 1497 1HG1 VAL 8 1HG1 VAL 8 1.832 -6.045 -9.513 1498 2HG1 VAL 8 2HG1 VAL 8 0.155 -5.595 -9.201 1499 3HG1 VAL 8 3HG1 VAL 8 0.576 -7.283 -9.491 1500 1HG2 VAL 8 1HG2 VAL 8 -0.986 -6.269 -7.420 1501 2HG2 VAL 8 2HG2 VAL 8 -0.142 -6.213 -5.871 1502 3HG2 VAL 8 3HG2 VAL 8 -0.403 -7.760 -6.679 1503 H ASP 9 H ASP 9 2.858 -8.841 -9.447 1504 HA ASP 9 HA ASP 9 5.128 -7.121 -9.869 1505 1HB ASP 9 1HB ASP 9 6.813 -8.932 -9.798 1506 2HB ASP 9 2HB ASP 9 5.584 -10.038 -9.194 1507 H ARG 10 H ARG 10 3.099 -7.323 -11.555 1508 HA ARG 10 HA ARG 10 4.173 -8.972 -13.741 1509 1HB ARG 10 2HB ARG 10 1.839 -9.373 -14.506 1510 2HB ARG 10 1HB ARG 10 2.222 -10.132 -12.967 1511 1HG ARG 10 2HG ARG 10 1.085 -8.310 -11.791 1512 2HG ARG 10 1HG ARG 10 0.679 -7.576 -13.344 1513 1HD ARG 10 2HD ARG 10 -1.206 -8.843 -12.489 1514 2HD ARG 10 1HD ARG 10 -0.575 -9.591 -13.955 1515 HE ARG 10 HE ARG 10 0.654 -10.796 -11.749 1516 1HH1 ARG 10 1HH1 ARG 10 -2.498 -10.569 -13.231 1517 2HH1 ARG 10 2HH1 ARG 10 -3.013 -12.123 -12.669 1518 1HH2 ARG 10 1HH2 ARG 10 -0.021 -12.840 -11.009 1519 2HH2 ARG 10 2HH2 ARG 10 -1.607 -13.413 -11.405 1520 H ASP 11 H ASP 11 4.442 -7.970 -15.617 1521 HA ASP 11 HA ASP 11 3.925 -5.142 -15.788 1522 1HB ASP 11 2HB ASP 11 5.200 -7.040 -17.770 1523 2HB ASP 11 1HB ASP 11 5.158 -5.285 -17.924 1524 H LEU 12 H LEU 12 1.508 -5.979 -15.622 1525 HA LEU 12 HA LEU 12 0.031 -7.087 -17.589 1526 1HB LEU 12 2HB LEU 12 -0.669 -4.541 -16.129 1527 2HB LEU 12 1HB LEU 12 -1.811 -5.566 -16.979 1528 HG LEU 12 HG LEU 12 -0.218 -6.340 -14.537 1529 1HD1 LEU 12 1HD1 LEU 12 -2.205 -6.165 -13.309 1530 2HD1 LEU 12 2HD1 LEU 12 -3.196 -6.052 -14.764 1531 3HD1 LEU 12 3HD1 LEU 12 -2.158 -4.705 -14.298 1532 1HD2 LEU 12 1HD2 LEU 12 -1.948 -8.286 -14.668 1533 2HD2 LEU 12 2HD2 LEU 12 -0.470 -8.352 -15.628 1534 3HD2 LEU 12 3HD2 LEU 12 -1.991 -7.875 -16.382 1535 H ASP 13 H ASP 13 1.368 -3.817 -17.654 1536 HA ASP 13 HA ASP 13 1.111 -3.781 -20.541 1537 1HB ASP 13 2HB ASP 13 -0.230 -1.687 -18.816 1538 2HB ASP 13 1HB ASP 13 0.010 -1.545 -20.554 1539 H GLY 14 H GLY 14 2.757 -2.732 -21.481 1540 1HA GLY 14 2HA GLY 14 4.086 -0.471 -20.508 1541 2HA GLY 14 1HA GLY 14 4.972 -1.886 -19.954 1542 H LYS 15 H LYS 15 6.779 -1.814 -21.187 1543 HA LYS 15 HA LYS 15 6.868 -1.006 -23.885 1544 1HB LYS 15 2HB LYS 15 8.776 -2.797 -22.366 1545 2HB LYS 15 1HB LYS 15 9.115 -2.028 -23.910 1546 1HG LYS 15 2HG LYS 15 8.909 0.169 -22.863 1547 2HG LYS 15 1HG LYS 15 8.566 -0.604 -21.314 1548 1HD LYS 15 2HD LYS 15 10.766 -1.678 -21.365 1549 2HD LYS 15 1HD LYS 15 11.107 -0.906 -22.914 1550 1HE LYS 15 2HE LYS 15 10.914 1.294 -21.859 1551 2HE LYS 15 1HE LYS 15 10.572 0.521 -20.311 1552 1HZ LYS 15 1HZ LYS 15 12.864 -0.663 -20.967 1553 2HZ LYS 15 2HZ LYS 15 12.779 0.752 -20.045 1554 3HZ LYS 15 3HZ LYS 15 13.097 0.841 -21.703 1555 H SER 16 H SER 16 6.814 -4.230 -22.401 1556 HA SER 16 HA SER 16 6.763 -5.631 -24.881 1557 1HB SER 16 2HB SER 16 5.992 -6.560 -22.104 1558 2HB SER 16 1HB SER 16 6.241 -7.608 -23.501 1559 HG SER 16 HG SER 16 8.060 -6.598 -21.806 1560 H HIS 17 H HIS 17 4.334 -4.335 -22.734 1561 HA HIS 17 HA HIS 17 2.095 -4.021 -22.972 1562 1HB HIS 17 2HB HIS 17 2.568 -4.964 -25.809 1563 2HB HIS 17 1HB HIS 17 1.073 -4.253 -25.216 1564 HD1 HIS 17 1HD HIS 17 1.647 -1.737 -23.996 1565 HD2 HIS 17 2HD HIS 17 4.056 -3.121 -27.086 1566 HE1 HIS 17 1HE HIS 17 2.789 0.303 -24.923 1567 HE2 HIS 17 2HE HIS 17 4.306 -0.570 -26.734 1568 H LYS 18 H LYS 18 0.423 -5.216 -22.289 1569 HA LYS 18 HA LYS 18 -0.019 -7.913 -23.188 1570 1HB LYS 18 2HB LYS 18 0.816 -7.419 -20.322 1571 2HB LYS 18 1HB LYS 18 0.152 -8.929 -20.929 1572 1HG LYS 18 2HG LYS 18 2.079 -9.141 -22.446 1573 2HG LYS 18 1HG LYS 18 2.751 -7.659 -21.762 1574 1HD LYS 18 2HD LYS 18 2.834 -8.711 -19.556 1575 2HD LYS 18 1HD LYS 18 2.153 -10.191 -20.235 1576 1HE LYS 18 2HE LYS 18 4.569 -10.379 -19.993 1577 2HE LYS 18 1HE LYS 18 4.103 -10.421 -21.691 1578 1HZ LYS 18 1HZ LYS 18 5.449 -8.724 -22.063 1579 2HZ LYS 18 2HZ LYS 18 5.890 -8.678 -20.432 1580 3HZ LYS 18 3HZ LYS 18 4.583 -7.757 -20.979 1581 1H MET 1 1HT MET 1 -5.612 12.026 13.241 1582 2H MET 1 2HT MET 1 -6.584 12.079 11.827 1583 3H MET 1 3HT MET 1 -5.362 13.259 12.076 1584 HA MET 1 HA MET 1 -3.764 11.349 12.117 1585 1HB MET 1 2HB MET 1 -6.190 10.071 10.839 1586 2HB MET 1 1HB MET 1 -4.574 9.378 10.841 1587 1HG MET 1 2HG MET 1 -4.628 9.253 13.279 1588 2HG MET 1 1HG MET 1 -6.248 9.949 13.277 1589 1HE MET 1 1HE MET 1 -7.528 8.595 10.742 1590 2HE MET 1 2HE MET 1 -8.409 8.673 12.269 1591 3HE MET 1 3HE MET 1 -8.279 7.142 11.403 1592 H LYS 2 H LYS 2 -2.373 11.675 10.483 1593 HA LYS 2 HA LYS 2 -3.253 13.290 8.242 1594 1HB LYS 2 2HB LYS 2 -0.488 12.338 9.015 1595 2HB LYS 2 1HB LYS 2 -0.848 13.473 7.721 1596 1HG LYS 2 2HG LYS 2 -1.756 15.050 9.352 1597 2HG LYS 2 1HG LYS 2 -1.395 13.910 10.651 1598 1HD LYS 2 2HD LYS 2 0.331 15.625 10.498 1599 2HD LYS 2 1HD LYS 2 0.988 14.038 10.094 1600 1HE LYS 2 2HE LYS 2 0.799 14.562 7.715 1601 2HE LYS 2 1HE LYS 2 0.119 16.139 8.111 1602 1HZ LYS 2 1HZ LYS 2 2.255 16.770 7.912 1603 2HZ LYS 2 2HZ LYS 2 2.873 15.227 8.223 1604 3HZ LYS 2 3HZ LYS 2 2.381 16.213 9.505 1605 H ASP 3 H ASP 3 -3.518 12.619 6.213 1606 HA ASP 3 HA ASP 3 -3.392 9.793 5.687 1607 1HB ASP 3 2HB ASP 3 -4.394 10.392 3.510 1608 2HB ASP 3 1HB ASP 3 -5.295 11.060 4.867 1609 H THR 4 H THR 4 -1.638 8.781 4.953 1610 HA THR 4 HA THR 4 0.593 10.239 3.884 1611 HB THR 4 HB THR 4 0.836 8.212 5.319 1612 HG1 THR 4 1HG THR 4 2.479 7.281 4.025 1613 1HG2 THR 4 1HG2 THR 4 -1.052 7.003 3.930 1614 2HG2 THR 4 2HG2 THR 4 0.246 6.110 4.724 1615 3HG2 THR 4 3HG2 THR 4 0.337 6.450 2.995 1616 H GLY 5 H GLY 5 1.284 10.332 1.769 1617 1HA GLY 5 2HA GLY 5 -0.328 8.908 -0.237 1618 2HA GLY 5 1HA GLY 5 -0.142 10.650 -0.364 1619 H ILE 6 H ILE 6 0.774 8.141 -1.931 1620 HA ILE 6 HA ILE 6 3.305 9.288 -2.715 1621 HB ILE 6 HB ILE 6 4.608 7.235 -2.475 1622 1HG1 ILE 6 2HG1 ILE 6 2.257 6.176 -0.892 1623 2HG1 ILE 6 1HG1 ILE 6 2.671 5.669 -2.527 1624 1HG2 ILE 6 1HG2 ILE 6 3.401 8.062 0.161 1625 2HG2 ILE 6 2HG2 ILE 6 4.633 8.974 -0.711 1626 3HG2 ILE 6 3HG2 ILE 6 4.998 7.359 -0.104 1627 1HD1 ILE 6 1HD1 ILE 6 4.871 4.912 -1.665 1628 2HD1 ILE 6 2HD1 ILE 6 3.492 4.039 -0.998 1629 3HD1 ILE 6 3HD1 ILE 6 4.303 5.276 -0.037 1630 H GLN 7 H GLN 7 4.294 7.957 -4.532 1631 HA GLN 7 HA GLN 7 2.507 6.285 -6.040 1632 1HB GLN 7 2HB GLN 7 1.606 8.488 -6.603 1633 2HB GLN 7 1HB GLN 7 3.207 9.037 -7.080 1634 1HG GLN 7 2HG GLN 7 3.231 7.380 -8.881 1635 2HG GLN 7 1HG GLN 7 1.615 6.855 -8.410 1636 1HE2 GLN 7 1HE2 GLN 7 0.089 7.632 -9.657 1637 2HE2 GLN 7 2HE2 GLN 7 0.087 9.172 -10.440 1638 H VAL 8 H VAL 8 4.465 5.021 -5.553 1639 HA VAL 8 HA VAL 8 6.970 5.698 -6.705 1640 HB VAL 8 HB VAL 8 5.958 2.961 -5.915 1641 1HG1 VAL 8 1HG1 VAL 8 8.793 3.957 -6.150 1642 2HG1 VAL 8 2HG1 VAL 8 7.968 2.997 -7.377 1643 3HG1 VAL 8 3HG1 VAL 8 8.266 2.316 -5.777 1644 1HG2 VAL 8 1HG2 VAL 8 7.615 3.723 -3.918 1645 2HG2 VAL 8 2HG2 VAL 8 5.861 3.908 -3.875 1646 3HG2 VAL 8 3HG2 VAL 8 6.882 5.269 -4.344 1647 H ASP 9 H ASP 9 7.948 4.982 -8.572 1648 HA ASP 9 HA ASP 9 6.941 3.093 -10.371 1649 1HB ASP 9 2HB ASP 9 6.079 4.579 -12.156 1650 2HB ASP 9 1HB ASP 9 5.081 4.626 -10.707 1651 H ARG 10 H ARG 10 9.424 3.717 -9.350 1652 HA ARG 10 HA ARG 10 10.995 5.322 -11.075 1653 1HB ARG 10 2HB ARG 10 11.840 3.055 -9.261 1654 2HB ARG 10 1HB ARG 10 12.925 4.224 -10.003 1655 1HG ARG 10 2HG ARG 10 11.780 6.025 -8.769 1656 2HG ARG 10 1HG ARG 10 10.776 4.809 -7.977 1657 1HD ARG 10 2HD ARG 10 12.630 5.456 -6.543 1658 2HD ARG 10 1HD ARG 10 12.783 3.770 -7.036 1659 HE ARG 10 HE ARG 10 14.220 5.357 -8.838 1660 1HH1 ARG 10 1HH1 ARG 10 14.346 4.361 -5.497 1661 2HH1 ARG 10 2HH1 ARG 10 16.070 4.486 -5.394 1662 1HH2 ARG 10 1HH2 ARG 10 16.486 5.522 -8.705 1663 2HH2 ARG 10 2HH2 ARG 10 17.286 5.146 -7.216 1664 H ASP 11 H ASP 11 11.942 4.899 -12.970 1665 HA ASP 11 HA ASP 11 11.398 2.355 -14.252 1666 1HB ASP 11 2HB ASP 11 12.726 4.860 -15.315 1667 2HB ASP 11 1HB ASP 11 12.293 3.449 -16.277 1668 H LEU 12 H LEU 12 13.097 1.863 -12.210 1669 HA LEU 12 HA LEU 12 15.845 1.984 -13.032 1670 1HB LEU 12 2HB LEU 12 14.538 0.446 -10.790 1671 2HB LEU 12 1HB LEU 12 16.266 0.635 -11.014 1672 HG LEU 12 HG LEU 12 14.308 2.855 -10.424 1673 1HD1 LEU 12 1HD1 LEU 12 16.531 2.206 -8.600 1674 2HD1 LEU 12 2HD1 LEU 12 15.205 1.046 -8.658 1675 3HD1 LEU 12 3HD1 LEU 12 14.885 2.731 -8.246 1676 1HD2 LEU 12 1HD2 LEU 12 16.179 3.562 -11.866 1677 2HD2 LEU 12 2HD2 LEU 12 17.313 2.951 -10.662 1678 3HD2 LEU 12 3HD2 LEU 12 16.244 4.296 -10.264 1679 H ASP 13 H ASP 13 14.618 0.788 -15.110 1680 HA ASP 13 HA ASP 13 14.499 -2.043 -14.939 1681 1HB ASP 13 2HB ASP 13 13.297 -0.797 -16.676 1682 2HB ASP 13 1HB ASP 13 14.826 -0.257 -17.361 1683 H GLY 14 H GLY 14 16.916 0.166 -16.353 1684 1HA GLY 14 2HA GLY 14 19.123 -0.162 -16.909 1685 2HA GLY 14 1HA GLY 14 19.180 -1.102 -15.426 1686 H LYS 15 H LYS 15 20.509 -2.731 -16.083 1687 HA LYS 15 HA LYS 15 20.217 -4.063 -18.591 1688 1HB LYS 15 2HB LYS 15 21.702 -4.909 -16.101 1689 2HB LYS 15 1HB LYS 15 21.866 -5.658 -17.682 1690 1HG LYS 15 2HG LYS 15 22.679 -3.497 -18.570 1691 2HG LYS 15 1HG LYS 15 22.613 -2.840 -16.936 1692 1HD LYS 15 2HD LYS 15 24.257 -5.232 -17.758 1693 2HD LYS 15 1HD LYS 15 24.881 -3.588 -17.620 1694 1HE LYS 15 2HE LYS 15 25.450 -4.684 -15.605 1695 2HE LYS 15 1HE LYS 15 24.101 -3.618 -15.223 1696 1HZ LYS 15 1HZ LYS 15 23.240 -6.234 -16.004 1697 2HZ LYS 15 2HZ LYS 15 22.854 -5.340 -14.619 1698 3HZ LYS 15 3HZ LYS 15 24.261 -6.277 -14.656 1699 H SER 16 H SER 16 19.447 -4.938 -15.238 1700 HA SER 16 HA SER 16 18.270 -7.434 -15.878 1701 1HB SER 16 2HB SER 16 17.465 -7.413 -13.559 1702 2HB SER 16 1HB SER 16 19.147 -6.888 -13.633 1703 HG SER 16 HG SER 16 18.202 -4.684 -13.691 1704 H HIS 17 H HIS 17 15.867 -6.469 -14.007 1705 HA HIS 17 HA HIS 17 14.255 -4.831 -15.642 1706 1HB HIS 17 2HB HIS 17 14.281 -6.787 -17.128 1707 2HB HIS 17 1HB HIS 17 13.694 -7.800 -15.813 1708 HD1 HIS 17 1HD HIS 17 11.269 -6.727 -14.786 1709 HD2 HIS 17 2HD HIS 17 12.275 -6.050 -18.760 1710 HE1 HIS 17 1HE HIS 17 9.112 -6.137 -15.934 1711 HE2 HIS 17 2HE HIS 17 9.733 -5.804 -18.353 1712 H LYS 18 H LYS 18 12.657 -4.028 -14.428 1713 HA LYS 18 HA LYS 18 12.397 -4.746 -11.714 1714 1HB LYS 18 2HB LYS 18 10.520 -3.148 -11.678 1715 2HB LYS 18 1HB LYS 18 11.941 -2.484 -12.474 1716 1HG LYS 18 2HG LYS 18 10.935 -2.975 -14.657 1717 2HG LYS 18 1HG LYS 18 9.501 -3.598 -13.840 1718 1HD LYS 18 2HD LYS 18 10.562 -0.780 -13.635 1719 2HD LYS 18 1HD LYS 18 9.174 -1.292 -14.599 1720 1HE LYS 18 2HE LYS 18 9.420 -1.492 -11.599 1721 2HE LYS 18 1HE LYS 18 8.471 -0.296 -12.481 1722 1HZ LYS 18 1HZ LYS 18 7.095 -2.115 -11.677 1723 2HZ LYS 18 2HZ LYS 18 8.026 -3.234 -12.540 1724 3HZ LYS 18 3HZ LYS 18 7.109 -2.080 -13.368 Start of MODEL 2 1 1H MET 1 1HT MET 1 -22.768 -4.739 -11.100 2 2H MET 1 2HT MET 1 -23.097 -4.143 -9.526 3 3H MET 1 3HT MET 1 -21.742 -3.559 -10.400 4 HA MET 1 HA MET 1 -24.591 -3.053 -10.822 5 1HB MET 1 2HB MET 1 -23.311 -1.581 -9.342 6 2HB MET 1 1HB MET 1 -22.116 -1.325 -10.605 7 1HG MET 1 2HG MET 1 -23.611 0.570 -10.434 8 2HG MET 1 1HG MET 1 -23.800 -0.236 -11.989 9 1HE MET 1 1HE MET 1 -25.451 -1.607 -8.533 10 2HE MET 1 2HE MET 1 -26.754 -0.420 -8.472 11 3HE MET 1 3HE MET 1 -25.074 0.111 -8.413 12 H CYS 2 H CYS 2 -21.402 -2.919 -12.396 13 HA CYS 2 HA CYS 2 -22.403 -3.564 -14.939 14 1HB CYS 2 2HB CYS 2 -23.397 -1.328 -14.854 15 2HB CYS 2 1HB CYS 2 -21.817 -0.624 -14.528 16 HG CYS 2 HG CYS 2 -21.665 -0.377 -16.955 17 H ASP 3 H ASP 3 -20.792 -3.924 -16.427 18 HA ASP 3 HA ASP 3 -18.716 -4.589 -17.058 19 1HB ASP 3 2HB ASP 3 -17.024 -2.781 -17.109 20 2HB ASP 3 1HB ASP 3 -18.593 -2.270 -17.717 21 H ARG 4 H ARG 4 -19.141 -5.897 -14.835 22 HA ARG 4 HA ARG 4 -17.147 -5.373 -12.821 23 1HB ARG 4 2HB ARG 4 -19.135 -7.592 -13.245 24 2HB ARG 4 1HB ARG 4 -17.925 -7.666 -11.974 25 1HG ARG 4 2HG ARG 4 -20.045 -6.867 -11.117 26 2HG ARG 4 1HG ARG 4 -18.807 -5.618 -10.996 27 1HD ARG 4 2HD ARG 4 -20.924 -4.692 -11.770 28 2HD ARG 4 1HD ARG 4 -19.677 -4.545 -13.002 29 HE ARG 4 HE ARG 4 -21.008 -5.784 -14.368 30 1HH1 ARG 4 1HH1 ARG 4 -21.887 -6.521 -11.069 31 2HH1 ARG 4 2HH1 ARG 4 -23.134 -7.633 -11.522 32 1HH2 ARG 4 1HH2 ARG 4 -22.652 -7.238 -14.960 33 2HH2 ARG 4 2HH2 ARG 4 -23.570 -8.039 -13.728 34 H LYS 5 H LYS 5 -15.786 -5.539 -15.151 35 HA LYS 5 HA LYS 5 -14.868 -8.129 -15.823 36 1HB LYS 5 2HB LYS 5 -14.651 -6.267 -17.374 37 2HB LYS 5 1HB LYS 5 -13.595 -5.420 -16.251 38 1HG LYS 5 2HG LYS 5 -12.366 -6.479 -18.092 39 2HG LYS 5 1HG LYS 5 -11.892 -7.109 -16.514 40 1HD LYS 5 2HD LYS 5 -13.330 -9.054 -16.857 41 2HD LYS 5 1HD LYS 5 -13.816 -8.422 -18.432 42 1HE LYS 5 2HE LYS 5 -11.493 -8.551 -19.195 43 2HE LYS 5 1HE LYS 5 -11.011 -9.187 -17.623 44 1HZ LYS 5 1HZ LYS 5 -12.173 -11.168 -18.001 45 2HZ LYS 5 2HZ LYS 5 -11.386 -10.856 -19.465 46 3HZ LYS 5 3HZ LYS 5 -13.037 -10.532 -19.309 47 H ALA 6 H ALA 6 -13.869 -5.750 -13.471 48 HA ALA 6 HA ALA 6 -11.325 -6.513 -12.822 49 1HB ALA 6 1HB ALA 6 -13.354 -5.866 -10.705 50 2HB ALA 6 2HB ALA 6 -12.735 -4.649 -11.819 51 3HB ALA 6 3HB ALA 6 -11.633 -5.488 -10.729 52 H VAL 7 H VAL 7 -10.392 -8.323 -12.098 53 HA VAL 7 HA VAL 7 -12.054 -10.527 -11.218 54 HB VAL 7 HB VAL 7 -9.963 -11.817 -11.258 55 1HG1 VAL 7 1HG1 VAL 7 -11.095 -10.421 -13.592 56 2HG1 VAL 7 2HG1 VAL 7 -10.937 -12.148 -13.271 57 3HG1 VAL 7 3HG1 VAL 7 -9.549 -11.229 -13.850 58 1HG2 VAL 7 1HG2 VAL 7 -7.915 -10.887 -12.082 59 2HG2 VAL 7 2HG2 VAL 7 -8.465 -9.901 -10.728 60 3HG2 VAL 7 3HG2 VAL 7 -8.691 -9.332 -12.382 61 H ILE 8 H ILE 8 -12.079 -11.377 -9.203 62 HA ILE 8 HA ILE 8 -11.001 -9.732 -7.081 63 HB ILE 8 HB ILE 8 -13.302 -10.684 -6.963 64 1HG1 ILE 8 2HG1 ILE 8 -13.032 -11.484 -4.560 65 2HG1 ILE 8 1HG1 ILE 8 -11.296 -11.308 -4.797 66 1HG2 ILE 8 1HG2 ILE 8 -12.058 -13.063 -7.646 67 2HG2 ILE 8 2HG2 ILE 8 -13.731 -12.862 -7.126 68 3HG2 ILE 8 3HG2 ILE 8 -12.486 -13.271 -5.947 69 1HD1 ILE 8 1HD1 ILE 8 -12.518 -9.388 -3.687 70 2HD1 ILE 8 2HD1 ILE 8 -13.200 -9.045 -5.277 71 3HD1 ILE 8 3HD1 ILE 8 -11.455 -8.989 -5.035 72 H LYS 9 H LYS 9 -9.466 -10.292 -5.596 73 HA LYS 9 HA LYS 9 -7.963 -12.763 -6.151 74 1HB LYS 9 2HB LYS 9 -6.934 -10.098 -5.178 75 2HB LYS 9 1HB LYS 9 -5.961 -11.553 -5.313 76 1HG LYS 9 2HG LYS 9 -7.376 -10.313 -7.656 77 2HG LYS 9 1HG LYS 9 -5.737 -9.874 -7.177 78 1HD LYS 9 2HD LYS 9 -5.363 -11.488 -8.793 79 2HD LYS 9 1HD LYS 9 -5.283 -12.425 -7.303 80 1HE LYS 9 2HE LYS 9 -6.580 -13.597 -8.985 81 2HE LYS 9 1HE LYS 9 -7.607 -13.131 -7.638 82 1HZ LYS 9 1HZ LYS 9 -8.478 -11.320 -8.911 83 2HZ LYS 9 2HZ LYS 9 -8.615 -12.729 -9.835 84 3HZ LYS 9 3HZ LYS 9 -7.392 -11.612 -10.174 85 H ASN 10 H ASN 10 -9.291 -10.666 -3.677 86 HA ASN 10 HA ASN 10 -9.182 -12.846 -1.779 87 1HB ASN 10 2HB ASN 10 -7.734 -10.249 -1.233 88 2HB ASN 10 1HB ASN 10 -8.035 -11.505 -0.036 89 1HD2 ASN 10 1HD2 ASN 10 -5.772 -10.277 -2.015 90 2HD2 ASN 10 2HD2 ASN 10 -4.783 -11.672 -2.254 91 H ALA 11 H ALA 11 -11.480 -12.125 -2.647 92 HA ALA 11 HA ALA 11 -12.757 -9.857 -1.663 93 1HB ALA 11 1HB ALA 11 -14.197 -10.819 -3.081 94 2HB ALA 11 2HB ALA 11 -14.758 -11.713 -1.667 95 3HB ALA 11 3HB ALA 11 -13.581 -12.441 -2.760 96 H ASP 12 H ASP 12 -13.865 -9.373 0.199 97 HA ASP 12 HA ASP 12 -14.515 -11.185 2.244 98 1HB ASP 12 2HB ASP 12 -12.082 -11.330 2.554 99 2HB ASP 12 1HB ASP 12 -11.996 -9.582 2.749 100 H MET 13 H MET 13 -16.030 -9.344 1.128 101 HA MET 13 HA MET 13 -16.661 -7.567 3.315 102 1HB MET 13 2HB MET 13 -15.916 -6.469 0.597 103 2HB MET 13 1HB MET 13 -16.754 -5.546 1.835 104 1HG MET 13 2HG MET 13 -14.876 -5.747 3.317 105 2HG MET 13 1HG MET 13 -14.035 -6.777 2.163 106 1HE MET 13 1HE MET 13 -15.869 -3.636 2.680 107 2HE MET 13 2HE MET 13 -15.382 -2.569 1.362 108 3HE MET 13 3HE MET 13 -14.457 -2.596 2.862 109 H SER 14 H SER 14 -18.795 -6.910 3.318 110 HA SER 14 HA SER 14 -20.718 -8.527 2.259 111 1HB SER 14 2HB SER 14 -21.177 -6.904 4.031 112 2HB SER 14 1HB SER 14 -20.996 -5.578 2.883 113 HG SER 14 HG SER 14 -23.154 -5.977 3.019 114 H GLU 15 H GLU 15 -22.136 -8.463 0.516 115 HA GLU 15 HA GLU 15 -21.197 -8.049 -1.990 116 1HB GLU 15 2HB GLU 15 -24.058 -7.683 -1.085 117 2HB GLU 15 1HB GLU 15 -23.551 -7.932 -2.750 118 1HG GLU 15 2HG GLU 15 -23.062 -9.893 -0.523 119 2HG GLU 15 1HG GLU 15 -24.437 -9.958 -1.623 120 H GLU 16 H GLU 16 -22.808 -5.661 0.035 121 HA GLU 16 HA GLU 16 -22.973 -3.645 -1.947 122 1HB GLU 16 2HB GLU 16 -23.484 -2.134 -0.077 123 2HB GLU 16 1HB GLU 16 -24.424 -3.617 0.001 124 1HG GLU 16 2HG GLU 16 -22.899 -4.498 1.691 125 2HG GLU 16 1HG GLU 16 -21.952 -3.015 1.611 126 H MET 17 H MET 17 -20.610 -4.248 0.648 127 HA MET 17 HA MET 17 -19.112 -1.918 0.226 128 1HB MET 17 2HB MET 17 -18.283 -4.606 1.317 129 2HB MET 17 1HB MET 17 -17.271 -3.173 1.367 130 1HG MET 17 2HG MET 17 -18.928 -2.040 2.744 131 2HG MET 17 1HG MET 17 -19.959 -3.467 2.680 132 1HE MET 17 1HE MET 17 -20.107 -3.168 5.221 133 2HE MET 17 2HE MET 17 -18.805 -2.023 5.543 134 3HE MET 17 3HE MET 17 -18.833 -3.579 6.370 135 H GLN 18 H GLN 18 -18.674 -5.183 -1.071 136 HA GLN 18 HA GLN 18 -16.366 -4.579 -2.552 137 1HB GLN 18 2HB GLN 18 -16.917 -6.658 -3.833 138 2HB GLN 18 1HB GLN 18 -16.842 -6.862 -2.089 139 1HG GLN 18 2HG GLN 18 -19.319 -6.699 -2.025 140 2HG GLN 18 1HG GLN 18 -19.314 -6.671 -3.788 141 1HE2 GLN 18 1HE2 GLN 18 -19.468 -8.594 -1.080 142 2HE2 GLN 18 2HE2 GLN 18 -19.156 -10.125 -1.816 143 H GLN 19 H GLN 19 -19.798 -4.380 -3.392 144 HA GLN 19 HA GLN 19 -19.291 -3.805 -6.141 145 1HB GLN 19 2HB GLN 19 -21.645 -3.178 -6.277 146 2HB GLN 19 1HB GLN 19 -21.454 -4.697 -5.414 147 1HG GLN 19 2HG GLN 19 -21.724 -3.543 -3.300 148 2HG GLN 19 1HG GLN 19 -21.883 -2.005 -4.141 149 1HE2 GLN 19 1HE2 GLN 19 -23.888 -1.341 -4.309 150 2HE2 GLN 19 2HE2 GLN 19 -25.291 -2.337 -4.463 151 H ASP 20 H ASP 20 -19.844 -1.824 -3.265 152 HA ASP 20 HA ASP 20 -19.900 0.648 -4.656 153 1HB ASP 20 2HB ASP 20 -19.386 -0.056 -1.770 154 2HB ASP 20 1HB ASP 20 -19.344 1.607 -2.350 155 H SER 21 H SER 21 -17.316 -1.262 -3.231 156 HA SER 21 HA SER 21 -15.305 0.719 -3.526 157 1HB SER 21 2HB SER 21 -15.011 -1.184 -2.002 158 2HB SER 21 1HB SER 21 -15.043 -2.297 -3.370 159 HG SER 21 HG SER 21 -12.908 -1.610 -2.527 160 H VAL 22 H VAL 22 -16.332 -2.020 -5.523 161 HA VAL 22 HA VAL 22 -14.413 -1.644 -7.561 162 HB VAL 22 HB VAL 22 -17.147 -2.914 -7.785 163 1HG1 VAL 22 1HG1 VAL 22 -15.369 -2.279 -9.808 164 2HG1 VAL 22 2HG1 VAL 22 -16.675 -3.461 -9.893 165 3HG1 VAL 22 3HG1 VAL 22 -15.043 -3.981 -9.475 166 1HG2 VAL 22 1HG2 VAL 22 -14.731 -4.590 -7.572 167 2HG2 VAL 22 2HG2 VAL 22 -16.341 -4.824 -6.892 168 3HG2 VAL 22 3HG2 VAL 22 -15.202 -3.729 -6.106 169 H GLU 23 H GLU 23 -17.756 -0.546 -7.190 170 HA GLU 23 HA GLU 23 -17.877 0.798 -9.686 171 1HB GLU 23 2HB GLU 23 -19.500 1.128 -7.160 172 2HB GLU 23 1HB GLU 23 -19.856 1.965 -8.665 173 1HG GLU 23 2HG GLU 23 -20.232 -0.149 -9.783 174 2HG GLU 23 1HG GLU 23 -19.797 -1.025 -8.319 175 H CYS 24 H CYS 24 -17.061 1.796 -6.409 176 HA CYS 24 HA CYS 24 -16.824 4.558 -6.946 177 1HB CYS 24 2HB CYS 24 -17.042 3.633 -4.669 178 2HB CYS 24 1HB CYS 24 -15.437 2.923 -4.813 179 HG CYS 24 HG CYS 24 -15.179 5.857 -5.211 180 H ALA 25 H ALA 25 -14.599 1.863 -7.265 181 HA ALA 25 HA ALA 25 -12.258 3.432 -7.654 182 1HB ALA 25 1HB ALA 25 -11.412 1.247 -8.708 183 2HB ALA 25 2HB ALA 25 -12.958 0.564 -8.204 184 3HB ALA 25 3HB ALA 25 -11.851 1.222 -7.000 185 H THR 26 H THR 26 -14.707 2.027 -9.742 186 HA THR 26 HA THR 26 -13.480 2.532 -12.196 187 HB THR 26 HB THR 26 -16.427 2.454 -11.537 188 HG1 THR 26 1HG THR 26 -14.755 0.398 -12.533 189 1HG2 THR 26 1HG2 THR 26 -16.446 3.284 -13.684 190 2HG2 THR 26 2HG2 THR 26 -16.497 1.541 -13.951 191 3HG2 THR 26 3HG2 THR 26 -14.979 2.420 -14.143 192 H GLN 27 H GLN 27 -15.683 4.473 -10.245 193 HA GLN 27 HA GLN 27 -15.961 6.646 -11.989 194 1HB GLN 27 2HB GLN 27 -16.002 6.609 -8.964 195 2HB GLN 27 1HB GLN 27 -16.569 7.940 -9.964 196 1HG GLN 27 2HG GLN 27 -18.282 6.496 -10.927 197 2HG GLN 27 1HG GLN 27 -17.712 5.156 -9.934 198 1HE2 GLN 27 1HE2 GLN 27 -20.032 7.422 -10.173 199 2HE2 GLN 27 2HE2 GLN 27 -20.465 7.595 -8.509 200 H ALA 28 H ALA 28 -13.620 6.007 -9.411 201 HA ALA 28 HA ALA 28 -12.220 8.401 -9.443 202 1HB ALA 28 1HB ALA 28 -11.742 5.684 -8.509 203 2HB ALA 28 2HB ALA 28 -11.355 7.228 -7.752 204 3HB ALA 28 3HB ALA 28 -10.266 6.538 -8.955 205 H LEU 29 H LEU 29 -11.792 5.530 -11.475 206 HA LEU 29 HA LEU 29 -9.482 6.380 -12.808 207 1HB LEU 29 2HB LEU 29 -11.676 4.475 -13.539 208 2HB LEU 29 1HB LEU 29 -10.353 4.803 -14.642 209 HG LEU 29 HG LEU 29 -9.921 3.832 -11.829 210 1HD1 LEU 29 1HD1 LEU 29 -9.344 1.680 -13.308 211 2HD1 LEU 29 2HD1 LEU 29 -10.644 2.355 -14.290 212 3HD1 LEU 29 3HD1 LEU 29 -10.937 1.951 -12.600 213 1HD2 LEU 29 1HD2 LEU 29 -7.726 3.184 -12.735 214 2HD2 LEU 29 2HD2 LEU 29 -8.011 4.921 -12.835 215 3HD2 LEU 29 3HD2 LEU 29 -8.165 3.918 -14.276 216 H GLU 30 H GLU 30 -12.896 6.707 -13.708 217 HA GLU 30 HA GLU 30 -12.383 8.062 -16.139 218 1HB GLU 30 2HB GLU 30 -14.790 8.672 -16.057 219 2HB GLU 30 1HB GLU 30 -14.487 6.956 -15.837 220 1HG GLU 30 2HG GLU 30 -14.808 7.179 -13.450 221 2HG GLU 30 1HG GLU 30 -15.044 8.917 -13.625 222 H LYS 31 H LYS 31 -12.639 9.197 -12.842 223 HA LYS 31 HA LYS 31 -12.905 11.942 -13.701 224 1HB LYS 31 2HB LYS 31 -12.771 12.450 -11.229 225 2HB LYS 31 1HB LYS 31 -14.147 11.505 -11.768 226 1HG LYS 31 2HG LYS 31 -12.729 9.469 -11.060 227 2HG LYS 31 1HG LYS 31 -11.783 10.641 -10.164 228 1HD LYS 31 2HD LYS 31 -14.763 10.316 -9.894 229 2HD LYS 31 1HD LYS 31 -13.582 9.563 -8.824 230 1HE LYS 31 2HE LYS 31 -14.387 11.553 -7.771 231 2HE LYS 31 1HE LYS 31 -12.722 11.831 -8.277 232 1HZ LYS 31 1HZ LYS 31 -13.342 13.425 -9.705 233 2HZ LYS 31 2HZ LYS 31 -14.758 13.493 -8.784 234 3HZ LYS 31 3HZ LYS 31 -14.728 12.597 -10.217 235 H TYR 32 H TYR 32 -10.306 9.802 -12.954 236 HA TYR 32 HA TYR 32 -8.474 12.012 -13.437 237 1HB TYR 32 2HB TYR 32 -8.200 10.222 -11.021 238 2HB TYR 32 1HB TYR 32 -6.951 11.315 -11.597 239 HD1 TYR 32 1HD TYR 32 -10.487 11.309 -10.481 240 HD2 TYR 32 2HD TYR 32 -6.849 13.471 -10.730 241 HE1 TYR 32 1HE TYR 32 -11.472 13.083 -9.100 242 HE2 TYR 32 2HE TYR 32 -7.814 15.266 -9.354 243 HH TYR 32 HH TYR 32 -9.655 15.492 -7.648 244 H ASN 33 H ASN 33 -8.774 8.530 -12.847 245 HA ASN 33 HA ASN 33 -7.879 6.736 -13.921 246 1HB ASN 33 2HB ASN 33 -8.462 7.920 -16.012 247 2HB ASN 33 1HB ASN 33 -6.910 8.749 -15.965 248 1HD2 ASN 33 1HD2 ASN 33 -5.470 7.923 -17.273 249 2HD2 ASN 33 2HD2 ASN 33 -5.326 6.259 -17.718 250 H ILE 34 H ILE 34 -6.484 7.755 -11.803 251 HA ILE 34 HA ILE 34 -3.724 7.125 -12.581 252 HB ILE 34 HB ILE 34 -4.457 9.376 -10.701 253 1HG1 ILE 34 2HG1 ILE 34 -3.241 9.443 -13.472 254 2HG1 ILE 34 1HG1 ILE 34 -4.870 9.958 -13.050 255 1HG2 ILE 34 1HG2 ILE 34 -1.840 8.164 -11.527 256 2HG2 ILE 34 2HG2 ILE 34 -2.449 8.480 -9.903 257 3HG2 ILE 34 3HG2 ILE 34 -1.944 9.820 -10.932 258 1HD1 ILE 34 1HD1 ILE 34 -2.372 11.206 -11.941 259 2HD1 ILE 34 2HD1 ILE 34 -4.028 11.783 -11.765 260 3HD1 ILE 34 3HD1 ILE 34 -3.249 11.811 -13.347 261 H GLU 35 H GLU 35 -2.905 5.554 -11.369 262 HA GLU 35 HA GLU 35 -4.239 4.075 -9.524 263 1HB GLU 35 2HB GLU 35 -2.052 3.215 -8.777 264 2HB GLU 35 1HB GLU 35 -2.173 3.320 -10.527 265 1HG GLU 35 2HG GLU 35 -0.901 5.417 -10.475 266 2HG GLU 35 1HG GLU 35 -0.747 5.264 -8.725 267 H LYS 36 H LYS 36 -2.037 6.769 -8.752 268 HA LYS 36 HA LYS 36 -2.346 6.541 -5.943 269 1HB LYS 36 2HB LYS 36 -0.457 7.715 -7.034 270 2HB LYS 36 1HB LYS 36 -1.568 8.972 -7.560 271 1HG LYS 36 2HG LYS 36 -2.118 9.208 -5.044 272 2HG LYS 36 1HG LYS 36 -0.598 8.343 -4.804 273 1HD LYS 36 2HD LYS 36 -0.087 10.660 -4.722 274 2HD LYS 36 1HD LYS 36 0.486 10.069 -6.283 275 1HE LYS 36 2HE LYS 36 -0.637 12.182 -6.592 276 2HE LYS 36 1HE LYS 36 -1.596 10.897 -7.321 277 1HZ LYS 36 1HZ LYS 36 -3.294 11.596 -6.112 278 2HZ LYS 36 2HZ LYS 36 -2.333 12.723 -5.297 279 3HZ LYS 36 3HZ LYS 36 -2.470 11.144 -4.705 280 H ASP 37 H ASP 37 -3.736 8.832 -8.283 281 HA ASP 37 HA ASP 37 -5.327 10.268 -6.525 282 1HB ASP 37 2HB ASP 37 -5.924 9.640 -9.422 283 2HB ASP 37 1HB ASP 37 -6.609 10.964 -8.483 284 H ILE 38 H ILE 38 -6.085 7.279 -8.284 285 HA ILE 38 HA ILE 38 -8.782 7.049 -7.757 286 HB ILE 38 HB ILE 38 -6.689 4.876 -7.848 287 1HG1 ILE 38 2HG1 ILE 38 -8.743 5.728 -9.896 288 2HG1 ILE 38 1HG1 ILE 38 -7.063 6.240 -9.911 289 1HG2 ILE 38 1HG2 ILE 38 -9.685 4.668 -7.694 290 2HG2 ILE 38 2HG2 ILE 38 -8.481 3.904 -6.657 291 3HG2 ILE 38 3HG2 ILE 38 -8.671 3.373 -8.329 292 1HD1 ILE 38 1HD1 ILE 38 -6.807 4.496 -11.287 293 2HD1 ILE 38 2HD1 ILE 38 -8.272 3.699 -10.712 294 3HD1 ILE 38 3HD1 ILE 38 -6.773 3.557 -9.794 295 H ALA 39 H ALA 39 -6.071 6.126 -5.674 296 HA ALA 39 HA ALA 39 -7.609 5.017 -3.595 297 1HB ALA 39 1HB ALA 39 -5.059 4.889 -4.055 298 2HB ALA 39 2HB ALA 39 -5.642 4.869 -2.390 299 3HB ALA 39 3HB ALA 39 -4.987 6.355 -3.077 300 H ALA 40 H ALA 40 -6.563 8.317 -4.257 301 HA ALA 40 HA ALA 40 -7.262 9.399 -1.737 302 1HB ALA 40 1HB ALA 40 -7.345 11.583 -3.098 303 2HB ALA 40 2HB ALA 40 -6.792 10.588 -4.444 304 3HB ALA 40 3HB ALA 40 -5.813 10.718 -2.983 305 H HIS 41 H HIS 41 -9.030 9.233 -4.811 306 HA HIS 41 HA HIS 41 -11.307 10.659 -3.965 307 1HB HIS 41 2HB HIS 41 -11.453 8.452 -5.997 308 2HB HIS 41 1HB HIS 41 -12.317 9.987 -5.965 309 HD1 HIS 41 1HD HIS 41 -10.166 12.037 -5.870 310 HD2 HIS 41 2HD HIS 41 -9.808 8.559 -8.104 311 HE1 HIS 41 1HE HIS 41 -8.430 12.538 -7.619 312 HE2 HIS 41 2HE HIS 41 -8.345 10.464 -9.048 313 H ILE 42 H ILE 42 -10.797 7.148 -4.277 314 HA ILE 42 HA ILE 42 -13.263 6.343 -3.244 315 HB ILE 42 HB ILE 42 -10.640 4.852 -3.121 316 1HG1 ILE 42 2HG1 ILE 42 -12.823 4.813 -5.214 317 2HG1 ILE 42 1HG1 ILE 42 -11.237 5.552 -5.403 318 1HG2 ILE 42 1HG2 ILE 42 -12.138 3.761 -1.666 319 2HG2 ILE 42 2HG2 ILE 42 -12.198 2.851 -3.177 320 3HG2 ILE 42 3HG2 ILE 42 -13.493 3.979 -2.774 321 1HD1 ILE 42 1HD1 ILE 42 -10.529 3.045 -4.715 322 2HD1 ILE 42 2HD1 ILE 42 -10.740 3.597 -6.377 323 3HD1 ILE 42 3HD1 ILE 42 -12.045 2.737 -5.561 324 H LYS 43 H LYS 43 -10.144 6.750 -1.586 325 HA LYS 43 HA LYS 43 -10.890 5.806 0.915 326 1HB LYS 43 2HB LYS 43 -8.572 6.380 0.158 327 2HB LYS 43 1HB LYS 43 -8.970 8.076 0.378 328 1HG LYS 43 2HG LYS 43 -9.146 6.068 2.604 329 2HG LYS 43 1HG LYS 43 -7.674 6.965 2.235 330 1HD LYS 43 2HD LYS 43 -8.994 9.076 2.517 331 2HD LYS 43 1HD LYS 43 -10.338 8.088 3.088 332 1HE LYS 43 2HE LYS 43 -8.945 7.227 4.900 333 2HE LYS 43 1HE LYS 43 -7.596 8.206 4.329 334 1HZ LYS 43 1HZ LYS 43 -9.865 8.969 5.917 335 2HZ LYS 43 2HZ LYS 43 -9.595 10.013 4.615 336 3HZ LYS 43 3HZ LYS 43 -8.364 9.731 5.740 337 H LYS 44 H LYS 44 -10.925 9.201 -0.209 338 HA LYS 44 HA LYS 44 -12.019 10.262 2.141 339 1HB LYS 44 2HB LYS 44 -12.229 11.292 -0.690 340 2HB LYS 44 1HB LYS 44 -12.620 12.221 0.749 341 1HG LYS 44 2HG LYS 44 -10.306 12.030 1.507 342 2HG LYS 44 1HG LYS 44 -9.912 11.096 0.063 343 1HD LYS 44 2HD LYS 44 -10.924 13.939 0.106 344 2HD LYS 44 1HD LYS 44 -9.254 13.442 -0.177 345 1HE LYS 44 2HE LYS 44 -9.966 12.218 -2.178 346 2HE LYS 44 1HE LYS 44 -11.630 12.733 -1.898 347 1HZ LYS 44 1HZ LYS 44 -9.320 14.504 -2.486 348 2HZ LYS 44 2HZ LYS 44 -10.884 15.042 -2.132 349 3HZ LYS 44 3HZ LYS 44 -10.598 14.140 -3.534 350 H GLU 45 H GLU 45 -13.658 9.198 -0.837 351 HA GLU 45 HA GLU 45 -16.238 9.967 -0.151 352 1HB GLU 45 2HB GLU 45 -15.288 7.626 -1.802 353 2HB GLU 45 1HB GLU 45 -16.974 8.107 -1.681 354 1HG GLU 45 2HG GLU 45 -16.453 10.269 -2.643 355 2HG GLU 45 1HG GLU 45 -14.745 9.845 -2.712 356 H PHE 46 H PHE 46 -14.574 6.903 0.556 357 HA PHE 46 HA PHE 46 -16.815 5.798 1.926 358 1HB PHE 46 2HB PHE 46 -13.938 4.985 1.675 359 2HB PHE 46 1HB PHE 46 -15.031 4.140 2.763 360 HD1 PHE 46 1HD PHE 46 -17.474 3.825 1.423 361 HD2 PHE 46 2HD PHE 46 -13.555 3.770 -0.235 362 HE1 PHE 46 1HE PHE 46 -18.285 2.431 -0.435 363 HE2 PHE 46 2HE PHE 46 -14.362 2.376 -2.098 364 HZ PHE 46 HZ PHE 46 -16.728 1.706 -2.201 365 H ASP 47 H ASP 47 -13.804 7.324 3.026 366 HA ASP 47 HA ASP 47 -14.158 6.903 5.761 367 1HB ASP 47 2HB ASP 47 -12.720 9.051 4.222 368 2HB ASP 47 1HB ASP 47 -12.751 9.047 5.982 369 H LYS 48 H LYS 48 -15.490 9.368 3.650 370 HA LYS 48 HA LYS 48 -16.646 10.855 5.831 371 1HB LYS 48 2HB LYS 48 -15.921 12.090 3.903 372 2HB LYS 48 1HB LYS 48 -16.879 11.080 2.830 373 1HG LYS 48 2HG LYS 48 -17.921 13.240 3.152 374 2HG LYS 48 1HG LYS 48 -18.924 11.951 3.820 375 1HD LYS 48 2HD LYS 48 -18.851 13.862 5.333 376 2HD LYS 48 1HD LYS 48 -18.073 12.456 6.061 377 1HE LYS 48 2HE LYS 48 -16.778 14.487 6.457 378 2HE LYS 48 1HE LYS 48 -15.883 13.344 5.459 379 1HZ LYS 48 1HZ LYS 48 -16.449 15.993 4.888 380 2HZ LYS 48 2HZ LYS 48 -17.391 15.083 3.818 381 3HZ LYS 48 3HZ LYS 48 -15.716 14.859 3.871 382 H LYS 49 H LYS 49 -17.727 8.613 3.348 383 HA LYS 49 HA LYS 49 -20.496 8.833 4.045 384 1HB LYS 49 2HB LYS 49 -19.806 8.349 1.762 385 2HB LYS 49 1HB LYS 49 -19.043 6.857 2.296 386 1HG LYS 49 2HG LYS 49 -21.186 6.421 1.247 387 2HG LYS 49 1HG LYS 49 -21.214 5.972 2.953 388 1HD LYS 49 2HD LYS 49 -22.338 8.082 3.488 389 2HD LYS 49 1HD LYS 49 -22.314 8.525 1.779 390 1HE LYS 49 2HE LYS 49 -24.492 7.639 2.421 391 2HE LYS 49 1HE LYS 49 -23.699 6.581 1.254 392 1HZ LYS 49 1HZ LYS 49 -23.753 6.145 4.190 393 2HZ LYS 49 2HZ LYS 49 -23.056 5.116 3.043 394 3HZ LYS 49 3HZ LYS 49 -24.731 5.342 3.067 395 H TYR 50 H TYR 50 -18.338 6.015 4.082 396 HA TYR 50 HA TYR 50 -20.082 4.648 5.925 397 1HB TYR 50 2HB TYR 50 -17.483 3.840 4.625 398 2HB TYR 50 1HB TYR 50 -18.400 2.797 5.706 399 HD1 TYR 50 1HD TYR 50 -19.156 4.970 2.749 400 HD2 TYR 50 2HD TYR 50 -19.654 1.192 4.637 401 HE1 TYR 50 1HE TYR 50 -20.527 4.220 0.861 402 HE2 TYR 50 2HE TYR 50 -21.026 0.424 2.746 403 HH TYR 50 HH TYR 50 -21.250 2.173 -0.193 404 H ASN 51 H ASN 51 -17.303 6.623 6.210 405 HA ASN 51 HA ASN 51 -16.480 7.510 8.191 406 1HB ASN 51 2HB ASN 51 -17.445 5.011 9.599 407 2HB ASN 51 1HB ASN 51 -16.789 6.456 10.352 408 1HD2 ASN 51 1HD2 ASN 51 -19.555 4.865 9.751 409 2HD2 ASN 51 2HD2 ASN 51 -20.674 6.181 9.768 410 HA PRO 52 HA PRO 52 -12.533 5.723 7.611 411 1HB PRO 52 2HB PRO 52 -11.329 6.502 9.985 412 2HB PRO 52 1HB PRO 52 -11.486 7.514 8.547 413 1HG PRO 52 2HG PRO 52 -13.175 7.444 11.012 414 2HG PRO 52 1HG PRO 52 -12.629 8.841 10.064 415 1HD PRO 52 2HD PRO 52 -15.128 7.905 9.849 416 2HD PRO 52 1HD PRO 52 -14.251 8.526 8.434 417 H THR 53 H THR 53 -11.510 3.016 9.745 418 HA THR 53 HA THR 53 -10.763 5.305 8.052 419 HB THR 53 HB THR 53 -9.452 5.084 10.143 420 HG1 THR 53 1HG THR 53 -7.417 5.164 9.105 421 1HG2 THR 53 1HG2 THR 53 -9.537 2.572 10.230 422 2HG2 THR 53 2HG2 THR 53 -7.967 3.304 10.552 423 3HG2 THR 53 3HG2 THR 53 -8.294 2.572 8.982 424 H TRP 54 H TRP 54 -10.691 4.862 5.975 425 HA TRP 54 HA TRP 54 -10.343 2.102 5.105 426 1HB TRP 54 2HB TRP 54 -11.139 4.548 3.531 427 2HB TRP 54 1HB TRP 54 -11.091 2.899 2.912 428 HD1 TRP 54 HD TRP 54 -12.793 4.672 5.917 429 HE1 TRP 54 1HE TRP 54 -15.182 3.751 6.119 430 HE3 TRP 54 3HE TRP 54 -12.674 1.310 2.071 431 HZ2 TRP 54 2HZ TRP 54 -16.810 1.832 4.814 432 HZ3 TRP 54 3HZ TRP 54 -14.689 -0.030 1.614 433 HH2 TRP 54 HH TRP 54 -16.711 0.225 2.959 434 H HIS 55 H HIS 55 -8.626 1.339 4.144 435 HA HIS 55 HA HIS 55 -6.461 3.205 3.443 436 1HB HIS 55 2HB HIS 55 -6.156 0.262 4.035 437 2HB HIS 55 1HB HIS 55 -4.905 1.503 4.025 438 HD1 HIS 55 1HD HIS 55 -5.667 3.542 5.927 439 HD2 HIS 55 2HD HIS 55 -6.771 -0.406 6.575 440 HE1 HIS 55 1HE HIS 55 -6.104 3.364 8.394 441 HE2 HIS 55 2HE HIS 55 -6.702 0.948 8.776 442 H CYS 56 H CYS 56 -5.578 3.090 1.377 443 HA CYS 56 HA CYS 56 -6.598 0.969 -0.378 444 1HB CYS 56 2HB CYS 56 -8.094 2.879 -0.655 445 2HB CYS 56 1HB CYS 56 -6.721 3.921 -1.013 446 HG CYS 56 HG CYS 56 -6.592 3.005 -3.325 447 H ILE 57 H ILE 57 -5.453 0.599 -2.276 448 HA ILE 57 HA ILE 57 -2.910 1.931 -2.723 449 HB ILE 57 HB ILE 57 -3.052 -1.046 -2.205 450 1HG1 ILE 57 2HG1 ILE 57 -1.731 1.157 -0.606 451 2HG1 ILE 57 1HG1 ILE 57 -3.175 0.267 -0.132 452 1HG2 ILE 57 1HG2 ILE 57 -1.453 -0.536 -3.938 453 2HG2 ILE 57 2HG2 ILE 57 -0.594 -0.956 -2.456 454 3HG2 ILE 57 3HG2 ILE 57 -0.734 0.733 -2.946 455 1HD1 ILE 57 1HD1 ILE 57 -0.575 -1.123 -0.659 456 2HD1 ILE 57 2HD1 ILE 57 -1.975 -1.696 0.249 457 3HD1 ILE 57 3HD1 ILE 57 -0.958 -0.418 0.911 458 H VAL 58 H VAL 58 -2.171 1.662 -4.874 459 HA VAL 58 HA VAL 58 -3.569 -0.173 -6.627 460 HB VAL 58 HB VAL 58 -3.777 2.805 -7.103 461 1HG1 VAL 58 1HG1 VAL 58 -5.132 2.227 -9.027 462 2HG1 VAL 58 2HG1 VAL 58 -4.946 0.509 -8.672 463 3HG1 VAL 58 3HG1 VAL 58 -3.546 1.465 -9.158 464 1HG2 VAL 58 1HG2 VAL 58 -5.833 0.783 -6.233 465 2HG2 VAL 58 2HG2 VAL 58 -6.231 2.389 -6.842 466 3HG2 VAL 58 3HG2 VAL 58 -5.294 2.216 -5.359 467 H GLY 59 H GLY 59 -2.356 -0.764 -8.335 468 1HA GLY 59 2HA GLY 59 -0.443 0.812 -9.645 469 2HA GLY 59 1HA GLY 59 0.384 -0.108 -8.397 470 H ARG 60 H ARG 60 1.487 -1.613 -9.495 471 HA ARG 60 HA ARG 60 0.136 -3.825 -10.618 472 1HB ARG 60 2HB ARG 60 0.687 -3.626 -12.950 473 2HB ARG 60 1HB ARG 60 -0.205 -2.190 -12.470 474 1HG ARG 60 2HG ARG 60 2.791 -2.342 -12.745 475 2HG ARG 60 1HG ARG 60 1.692 -1.705 -13.966 476 1HD ARG 60 2HD ARG 60 2.062 -0.619 -11.176 477 2HD ARG 60 1HD ARG 60 2.710 0.083 -12.653 478 HE ARG 60 HE ARG 60 0.097 0.435 -11.631 479 1HH1 ARG 60 1HH1 ARG 60 1.856 0.087 -14.627 480 2HH1 ARG 60 2HH1 ARG 60 0.659 0.908 -15.569 481 1HH2 ARG 60 1HH2 ARG 60 -1.472 1.521 -12.869 482 2HH2 ARG 60 2HH2 ARG 60 -1.229 1.725 -14.572 483 H ASN 61 H ASN 61 2.223 -3.295 -8.734 484 HA ASN 61 HA ASN 61 3.948 -5.367 -9.054 485 1HB ASN 61 2HB ASN 61 4.830 -4.305 -11.087 486 2HB ASN 61 1HB ASN 61 5.194 -2.843 -10.184 487 1HD2 ASN 61 1HD2 ASN 61 5.782 -5.676 -8.390 488 2HD2 ASN 61 2HD2 ASN 61 7.488 -5.747 -8.630 489 H PHE 62 H PHE 62 3.344 -5.150 -6.780 490 HA PHE 62 HA PHE 62 5.387 -3.836 -5.267 491 1HB PHE 62 2HB PHE 62 4.035 -2.225 -4.103 492 2HB PHE 62 1HB PHE 62 3.855 -1.953 -5.831 493 HD1 PHE 62 1HD PHE 62 2.221 -3.494 -2.888 494 HD2 PHE 62 2HD PHE 62 1.730 -1.993 -6.839 495 HE1 PHE 62 1HE PHE 62 -0.221 -3.665 -2.647 496 HE2 PHE 62 2HE PHE 62 -0.710 -2.156 -6.603 497 HZ PHE 62 HZ PHE 62 -1.693 -2.992 -4.505 498 H GLY 63 H GLY 63 5.640 -4.662 -3.285 499 1HA GLY 63 2HA GLY 63 3.814 -6.813 -2.468 500 2HA GLY 63 1HA GLY 63 5.447 -6.554 -1.858 501 H SER 64 H SER 64 2.798 -6.819 -0.396 502 HA SER 64 HA SER 64 3.277 -4.582 1.369 503 1HB SER 64 2HB SER 64 1.874 -3.470 -0.237 504 2HB SER 64 1HB SER 64 0.679 -4.765 -0.156 505 HG SER 64 HG SER 64 0.148 -2.900 1.126 506 H TYR 65 H TYR 65 2.195 -4.606 3.325 507 HA TYR 65 HA TYR 65 0.665 -7.001 4.023 508 1HB TYR 65 2HB TYR 65 3.169 -6.018 5.369 509 2HB TYR 65 1HB TYR 65 1.959 -6.925 6.269 510 HD1 TYR 65 1HD TYR 65 3.859 -7.168 3.055 511 HD2 TYR 65 2HD TYR 65 2.222 -9.196 6.415 512 HE1 TYR 65 1HE TYR 65 4.819 -9.276 2.244 513 HE2 TYR 65 2HE TYR 65 3.177 -11.312 5.616 514 HH TYR 65 HH TYR 65 3.916 -12.119 2.981 515 H VAL 66 H VAL 66 -0.946 -6.642 5.487 516 HA VAL 66 HA VAL 66 -1.111 -4.167 6.992 517 HB VAL 66 HB VAL 66 -3.244 -4.786 4.959 518 1HG1 VAL 66 1HG1 VAL 66 -4.436 -3.433 6.263 519 2HG1 VAL 66 2HG1 VAL 66 -3.424 -2.126 5.647 520 3HG1 VAL 66 3HG1 VAL 66 -3.015 -2.913 7.165 521 1HG2 VAL 66 1HG2 VAL 66 -1.285 -4.153 3.722 522 2HG2 VAL 66 2HG2 VAL 66 -0.999 -2.779 4.789 523 3HG2 VAL 66 3HG2 VAL 66 -2.402 -2.792 3.724 524 H THR 67 H THR 67 -2.999 -4.134 8.419 525 HA THR 67 HA THR 67 -4.139 -6.814 8.859 526 HB THR 67 HB THR 67 -3.415 -4.735 10.941 527 HG1 THR 67 1HG THR 67 -2.339 -7.316 10.485 528 1HG2 THR 67 1HG2 THR 67 -3.908 -7.306 12.046 529 2HG2 THR 67 2HG2 THR 67 -5.321 -6.797 11.120 530 3HG2 THR 67 3HG2 THR 67 -4.693 -5.769 12.410 531 H HIS 68 H HIS 68 -6.336 -6.931 9.373 532 HA HIS 68 HA HIS 68 -7.904 -4.525 9.697 533 1HB HIS 68 2HB HIS 68 -9.223 -4.918 7.621 534 2HB HIS 68 1HB HIS 68 -7.547 -4.472 7.300 535 HD1 HIS 68 1HD HIS 68 -9.810 -7.495 7.325 536 HD2 HIS 68 2HD HIS 68 -6.072 -6.342 5.924 537 HE1 HIS 68 1HE HIS 68 -9.010 -9.401 5.899 538 HE2 HIS 68 2HE HIS 68 -6.713 -8.717 5.127 539 H GLU 69 H GLU 69 -9.974 -4.914 10.426 540 HA GLU 69 HA GLU 69 -10.459 -7.356 11.743 541 1HB GLU 69 2HB GLU 69 -12.641 -6.456 12.280 542 2HB GLU 69 1HB GLU 69 -11.434 -5.185 12.428 543 1HG GLU 69 2HG GLU 69 -12.081 -4.354 10.202 544 2HG GLU 69 1HG GLU 69 -13.338 -5.590 10.135 545 H THR 70 H THR 70 -12.137 -8.921 11.372 546 HA THR 70 HA THR 70 -12.170 -9.989 8.809 547 HB THR 70 HB THR 70 -14.015 -11.426 9.595 548 HG1 THR 70 1HG THR 70 -14.923 -11.090 11.577 549 1HG2 THR 70 1HG2 THR 70 -11.738 -11.024 11.505 550 2HG2 THR 70 2HG2 THR 70 -11.900 -12.234 10.232 551 3HG2 THR 70 3HG2 THR 70 -12.916 -12.325 11.670 552 H LYS 71 H LYS 71 -13.700 -10.127 7.188 553 HA LYS 71 HA LYS 71 -15.256 -9.353 5.735 554 1HB LYS 71 2HB LYS 71 -16.642 -8.629 8.316 555 2HB LYS 71 1HB LYS 71 -17.395 -8.483 6.734 556 1HG LYS 71 2HG LYS 71 -16.372 -11.031 7.969 557 2HG LYS 71 1HG LYS 71 -18.063 -10.539 7.847 558 1HD LYS 71 2HD LYS 71 -17.883 -10.549 5.403 559 2HD LYS 71 1HD LYS 71 -16.194 -11.044 5.529 560 1HE LYS 71 2HE LYS 71 -16.875 -13.110 6.630 561 2HE LYS 71 1HE LYS 71 -18.563 -12.612 6.539 562 1HZ LYS 71 1HZ LYS 71 -18.043 -12.454 4.016 563 2HZ LYS 71 2HZ LYS 71 -18.372 -13.959 4.714 564 3HZ LYS 71 3HZ LYS 71 -16.775 -13.509 4.390 565 H HIS 72 H HIS 72 -13.070 -7.683 6.320 566 HA HIS 72 HA HIS 72 -14.189 -5.162 5.416 567 1HB HIS 72 2HB HIS 72 -12.562 -5.378 7.950 568 2HB HIS 72 1HB HIS 72 -12.776 -3.868 7.071 569 HD1 HIS 72 1HD HIS 72 -14.975 -6.535 8.673 570 HD2 HIS 72 2HD HIS 72 -14.934 -2.458 7.883 571 HE1 HIS 72 1HE HIS 72 -17.072 -5.628 9.718 572 HE2 HIS 72 2HE HIS 72 -16.987 -3.146 9.298 573 H PHE 73 H PHE 73 -12.917 -6.715 3.756 574 HA PHE 73 HA PHE 73 -10.631 -5.204 3.017 575 1HB PHE 73 2HB PHE 73 -9.490 -6.587 4.636 576 2HB PHE 73 1HB PHE 73 -10.179 -8.046 3.933 577 HD1 PHE 73 1HD PHE 73 -9.571 -8.543 1.475 578 HD2 PHE 73 2HD PHE 73 -7.411 -5.833 3.942 579 HE1 PHE 73 1HE PHE 73 -7.626 -8.740 -0.018 580 HE2 PHE 73 2HE PHE 73 -5.461 -6.027 2.455 581 HZ PHE 73 HZ PHE 73 -5.567 -7.481 0.472 582 H ILE 74 H ILE 74 -10.166 -5.370 0.867 583 HA ILE 74 HA ILE 74 -11.143 -7.606 -0.685 584 HB ILE 74 HB ILE 74 -13.164 -6.228 -0.509 585 1HG1 ILE 74 2HG1 ILE 74 -11.897 -6.123 -3.257 586 2HG1 ILE 74 1HG1 ILE 74 -12.759 -7.499 -2.576 587 1HG2 ILE 74 1HG2 ILE 74 -11.945 -4.072 -0.191 588 2HG2 ILE 74 2HG2 ILE 74 -13.285 -3.992 -1.335 589 3HG2 ILE 74 3HG2 ILE 74 -11.624 -4.063 -1.926 590 1HD1 ILE 74 1HD1 ILE 74 -14.818 -6.438 -2.734 591 2HD1 ILE 74 2HD1 ILE 74 -13.988 -5.977 -4.221 592 3HD1 ILE 74 3HD1 ILE 74 -14.089 -4.839 -2.879 593 H TYR 75 H TYR 75 -9.928 -7.934 -2.439 594 HA TYR 75 HA TYR 75 -8.337 -5.737 -3.548 595 1HB TYR 75 2HB TYR 75 -6.886 -6.951 -1.965 596 2HB TYR 75 1HB TYR 75 -7.233 -8.459 -2.803 597 HD1 TYR 75 1HD TYR 75 -6.111 -5.019 -3.772 598 HD2 TYR 75 2HD TYR 75 -5.518 -9.217 -4.126 599 HE1 TYR 75 1HE TYR 75 -4.197 -4.618 -5.265 600 HE2 TYR 75 2HE TYR 75 -3.605 -8.828 -5.620 601 HH TYR 75 HH TYR 75 -2.778 -7.053 -7.131 602 H PHE 76 H PHE 76 -8.277 -5.768 -5.757 603 HA PHE 76 HA PHE 76 -8.631 -8.174 -7.265 604 1HB PHE 76 2HB PHE 76 -10.798 -7.518 -8.294 605 2HB PHE 76 1HB PHE 76 -10.931 -7.884 -6.579 606 HD1 PHE 76 1HD PHE 76 -10.408 -4.975 -8.856 607 HD2 PHE 76 2HD PHE 76 -12.098 -6.436 -5.234 608 HE1 PHE 76 1HE PHE 76 -11.465 -2.789 -8.471 609 HE2 PHE 76 2HE PHE 76 -13.161 -4.253 -4.846 610 HZ PHE 76 HZ PHE 76 -12.845 -2.425 -6.465 611 H TYR 77 H TYR 77 -8.151 -7.964 -9.408 612 HA TYR 77 HA TYR 77 -6.847 -5.511 -10.222 613 1HB TYR 77 2HB TYR 77 -7.203 -8.196 -11.570 614 2HB TYR 77 1HB TYR 77 -6.372 -6.842 -12.325 615 HD1 TYR 77 1HD TYR 77 -4.446 -5.789 -10.813 616 HD2 TYR 77 2HD TYR 77 -5.927 -9.760 -10.456 617 HE1 TYR 77 1HE TYR 77 -2.345 -6.470 -9.735 618 HE2 TYR 77 2HE TYR 77 -3.828 -10.451 -9.374 619 HH TYR 77 HH TYR 77 -1.981 -9.342 -8.064 620 H LEU 78 H LEU 78 -7.444 -4.268 -12.085 621 HA LEU 78 HA LEU 78 -9.920 -4.880 -13.438 622 1HB LEU 78 2HB LEU 78 -10.792 -3.840 -11.439 623 2HB LEU 78 1HB LEU 78 -9.715 -2.471 -11.640 624 HG LEU 78 HG LEU 78 -10.908 -1.733 -13.599 625 1HD1 LEU 78 1HD1 LEU 78 -11.856 -3.268 -14.900 626 2HD1 LEU 78 2HD1 LEU 78 -13.198 -3.292 -13.756 627 3HD1 LEU 78 3HD1 LEU 78 -11.885 -4.458 -13.600 628 1HD2 LEU 78 1HD2 LEU 78 -13.058 -1.194 -12.615 629 2HD2 LEU 78 2HD2 LEU 78 -11.790 -1.086 -11.395 630 3HD2 LEU 78 3HD2 LEU 78 -12.863 -2.485 -11.429 631 H GLY 79 H GLY 79 -9.991 -4.076 -15.431 632 1HA GLY 79 2HA GLY 79 -9.432 -2.911 -17.323 633 2HA GLY 79 1HA GLY 79 -8.797 -1.651 -16.273 634 H GLN 80 H GLN 80 -6.696 -2.315 -15.156 635 HA GLN 80 HA GLN 80 -4.971 -4.207 -16.201 636 1HB GLN 80 2HB GLN 80 -5.203 -2.868 -18.295 637 2HB GLN 80 1HB GLN 80 -4.546 -1.479 -17.445 638 1HG GLN 80 2HG GLN 80 -2.437 -2.614 -17.145 639 2HG GLN 80 1HG GLN 80 -3.091 -4.078 -17.875 640 1HE2 GLN 80 1HE2 GLN 80 -1.230 -1.446 -18.432 641 2HE2 GLN 80 2HE2 GLN 80 -1.365 -1.344 -20.151 642 H VAL 81 H VAL 81 -5.674 -3.035 -13.732 643 HA VAL 81 HA VAL 81 -3.053 -2.491 -12.677 644 HB VAL 81 HB VAL 81 -3.644 -0.360 -11.591 645 1HG1 VAL 81 1HG1 VAL 81 -2.434 -0.440 -13.775 646 2HG1 VAL 81 2HG1 VAL 81 -3.313 1.061 -13.482 647 3HG1 VAL 81 3HG1 VAL 81 -3.977 -0.151 -14.577 648 1HG2 VAL 81 1HG2 VAL 81 -6.091 -0.421 -13.355 649 2HG2 VAL 81 2HG2 VAL 81 -5.600 0.899 -12.293 650 3HG2 VAL 81 3HG2 VAL 81 -6.083 -0.652 -11.606 651 H ALA 82 H ALA 82 -2.893 -3.104 -10.583 652 HA ALA 82 HA ALA 82 -5.068 -4.529 -9.406 653 1HB ALA 82 1HB ALA 82 -2.327 -4.580 -9.149 654 2HB ALA 82 2HB ALA 82 -3.480 -5.477 -8.160 655 3HB ALA 82 3HB ALA 82 -2.866 -3.921 -7.604 656 H ILE 83 H ILE 83 -6.441 -3.956 -7.805 657 HA ILE 83 HA ILE 83 -6.103 -1.275 -6.626 658 HB ILE 83 HB ILE 83 -8.719 -2.556 -7.436 659 1HG1 ILE 83 2HG1 ILE 83 -7.229 -0.187 -8.593 660 2HG1 ILE 83 1HG1 ILE 83 -7.416 -1.762 -9.360 661 1HG2 ILE 83 1HG2 ILE 83 -8.931 -1.195 -5.424 662 2HG2 ILE 83 2HG2 ILE 83 -9.726 -0.420 -6.794 663 3HG2 ILE 83 3HG2 ILE 83 -8.153 0.157 -6.245 664 1HD1 ILE 83 1HD1 ILE 83 -9.260 0.494 -9.222 665 2HD1 ILE 83 2HD1 ILE 83 -10.003 -1.069 -8.884 666 3HD1 ILE 83 3HD1 ILE 83 -9.142 -0.812 -10.401 667 H LEU 84 H LEU 84 -6.341 -1.121 -4.466 668 HA LEU 84 HA LEU 84 -7.402 -3.446 -3.012 669 1HB LEU 84 2HB LEU 84 -4.957 -3.532 -2.959 670 2HB LEU 84 1HB LEU 84 -4.902 -1.897 -2.328 671 HG LEU 84 HG LEU 84 -6.020 -2.649 -0.272 672 1HD1 LEU 84 1HD1 LEU 84 -5.734 -5.440 -1.365 673 2HD1 LEU 84 2HD1 LEU 84 -7.246 -4.535 -1.359 674 3HD1 LEU 84 3HD1 LEU 84 -6.461 -4.951 0.165 675 1HD2 LEU 84 1HD2 LEU 84 -3.826 -2.712 0.232 676 2HD2 LEU 84 2HD2 LEU 84 -3.416 -3.656 -1.199 677 3HD2 LEU 84 3HD2 LEU 84 -4.072 -4.458 0.229 678 H LEU 85 H LEU 85 -8.562 -3.007 -1.171 679 HA LEU 85 HA LEU 85 -8.629 -0.379 -0.008 680 1HB LEU 85 2HB LEU 85 -10.053 -0.036 -1.973 681 2HB LEU 85 1HB LEU 85 -11.048 -1.399 -1.498 682 HG LEU 85 HG LEU 85 -11.731 -0.190 0.535 683 1HD1 LEU 85 1HD1 LEU 85 -9.667 1.174 0.734 684 2HD1 LEU 85 2HD1 LEU 85 -11.153 2.111 0.883 685 3HD1 LEU 85 3HD1 LEU 85 -10.230 2.153 -0.620 686 1HD2 LEU 85 1HD2 LEU 85 -13.375 0.208 -0.953 687 2HD2 LEU 85 2HD2 LEU 85 -12.258 0.750 -2.204 688 3HD2 LEU 85 3HD2 LEU 85 -12.738 1.853 -0.913 689 H PHE 86 H PHE 86 -9.540 -0.367 2.031 690 HA PHE 86 HA PHE 86 -11.303 -2.268 3.064 691 1HB PHE 86 2HB PHE 86 -9.752 -3.622 4.456 692 2HB PHE 86 1HB PHE 86 -9.568 -3.907 2.732 693 HD1 PHE 86 1HD PHE 86 -8.088 -2.028 5.573 694 HD2 PHE 86 2HD PHE 86 -7.505 -3.736 1.720 695 HE1 PHE 86 1HE PHE 86 -5.673 -1.587 5.743 696 HE2 PHE 86 2HE PHE 86 -5.092 -3.295 1.884 697 HZ PHE 86 HZ PHE 86 -4.176 -2.217 3.895 698 H LYS 87 H LYS 87 -12.119 -1.507 4.909 699 HA LYS 87 HA LYS 87 -10.767 0.764 6.140 700 1HB LYS 87 2HB LYS 87 -12.839 1.494 6.894 701 2HB LYS 87 1HB LYS 87 -13.219 0.755 5.350 702 1HG LYS 87 2HG LYS 87 -14.893 -0.103 6.629 703 2HG LYS 87 1HG LYS 87 -13.674 -1.362 6.826 704 1HD LYS 87 2HD LYS 87 -14.623 -0.833 8.981 705 2HD LYS 87 1HD LYS 87 -12.954 -0.272 8.935 706 1HE LYS 87 2HE LYS 87 -14.442 1.371 9.977 707 2HE LYS 87 1HE LYS 87 -13.699 1.997 8.506 708 1HZ LYS 87 1HZ LYS 87 -16.133 2.454 8.778 709 2HZ LYS 87 2HZ LYS 87 -16.411 0.802 8.553 710 3HZ LYS 87 3HZ LYS 87 -15.702 1.716 7.319 711 H SER 88 H SER 88 -10.441 0.966 8.360 712 HA SER 88 HA SER 88 -10.455 -1.578 9.831 713 1HB SER 88 2HB SER 88 -8.168 -0.873 9.318 714 2HB SER 88 1HB SER 88 -8.473 0.697 10.059 715 HG SER 88 HG SER 88 -7.904 -0.198 11.859 716 H GLY 89 H GLY 89 -11.412 -1.617 11.778 717 1HA GLY 89 2HA GLY 89 -13.169 0.435 12.551 718 2HA GLY 89 1HA GLY 89 -12.711 -0.941 13.545 719 1H MET 1 1HT MET 1 29.697 -2.424 13.097 720 2H MET 1 2HT MET 1 28.996 -1.464 14.334 721 3H MET 1 3HT MET 1 30.577 -1.114 13.767 722 HA MET 1 HA MET 1 29.156 0.454 12.838 723 1HB MET 1 2HB MET 1 29.776 -1.746 10.854 724 2HB MET 1 1HB MET 1 29.453 -0.068 10.443 725 1HG MET 1 2HG MET 1 31.441 0.621 11.676 726 2HG MET 1 1HG MET 1 31.763 -1.060 12.098 727 1HE MET 1 1HE MET 1 34.501 0.138 9.495 728 2HE MET 1 2HE MET 1 34.384 -1.023 10.817 729 3HE MET 1 3HE MET 1 33.860 0.643 11.059 730 H CYS 2 H CYS 2 27.991 -2.829 12.136 731 HA CYS 2 HA CYS 2 25.909 -3.669 11.783 732 1HB CYS 2 2HB CYS 2 25.018 -1.075 13.060 733 2HB CYS 2 1HB CYS 2 23.990 -2.476 12.782 734 HG CYS 2 HG CYS 2 26.421 -2.987 14.584 735 H ASP 3 H ASP 3 24.645 -3.822 10.022 736 HA ASP 3 HA ASP 3 25.002 -2.080 7.851 737 1HB ASP 3 2HB ASP 3 23.192 -3.372 6.769 738 2HB ASP 3 1HB ASP 3 24.392 -4.415 7.530 739 H ARG 4 H ARG 4 23.843 -0.393 7.059 740 HA ARG 4 HA ARG 4 21.202 0.263 7.748 741 1HB ARG 4 2HB ARG 4 22.312 0.686 9.962 742 2HB ARG 4 1HB ARG 4 23.269 1.938 9.187 743 1HG ARG 4 2HG ARG 4 20.268 1.991 9.200 744 2HG ARG 4 1HG ARG 4 21.235 2.679 10.501 745 1HD ARG 4 2HD ARG 4 21.229 3.493 7.599 746 2HD ARG 4 1HD ARG 4 20.654 4.429 8.972 747 HE ARG 4 HE ARG 4 23.316 4.289 8.025 748 1HH1 ARG 4 1HH1 ARG 4 21.453 4.512 10.970 749 2HH1 ARG 4 2HH1 ARG 4 22.736 5.246 11.872 750 1HH2 ARG 4 1HH2 ARG 4 24.999 5.260 9.209 751 2HH2 ARG 4 2HH2 ARG 4 24.746 5.675 10.873 752 H LYS 5 H LYS 5 20.454 1.617 6.228 753 HA LYS 5 HA LYS 5 21.956 3.775 5.166 754 1HB LYS 5 2HB LYS 5 22.967 1.713 4.047 755 2HB LYS 5 1HB LYS 5 21.439 1.549 3.198 756 1HG LYS 5 2HG LYS 5 23.070 2.688 1.816 757 2HG LYS 5 1HG LYS 5 21.745 3.779 2.225 758 1HD LYS 5 2HD LYS 5 23.878 4.925 2.428 759 2HD LYS 5 1HD LYS 5 23.117 4.754 4.012 760 1HE LYS 5 2HE LYS 5 24.542 2.828 4.493 761 2HE LYS 5 1HE LYS 5 25.293 2.983 2.905 762 1HZ LYS 5 1HZ LYS 5 25.677 5.428 3.860 763 2HZ LYS 5 2HZ LYS 5 26.786 4.169 4.071 764 3HZ LYS 5 3HZ LYS 5 25.703 4.557 5.311 765 H ALA 6 H ALA 6 20.204 2.837 2.541 766 HA ALA 6 HA ALA 6 18.176 3.412 1.694 767 1HB ALA 6 1HB ALA 6 17.176 3.237 4.533 768 2HB ALA 6 2HB ALA 6 17.404 1.843 3.475 769 3HB ALA 6 3HB ALA 6 16.229 3.089 3.051 770 H VAL 7 H VAL 7 17.362 5.357 1.054 771 HA VAL 7 HA VAL 7 18.131 7.675 2.614 772 HB VAL 7 HB VAL 7 17.344 8.981 0.726 773 1HG1 VAL 7 1HG1 VAL 7 19.252 8.665 -0.446 774 2HG1 VAL 7 2HG1 VAL 7 18.969 6.935 -0.637 775 3HG1 VAL 7 3HG1 VAL 7 19.615 7.561 0.880 776 1HG2 VAL 7 1HG2 VAL 7 15.923 6.615 0.074 777 2HG2 VAL 7 2HG2 VAL 7 17.013 6.989 -1.262 778 3HG2 VAL 7 3HG2 VAL 7 15.848 8.192 -0.710 779 H ILE 8 H ILE 8 16.821 8.989 3.685 780 HA ILE 8 HA ILE 8 14.056 8.149 4.066 781 HB ILE 8 HB ILE 8 15.673 10.237 5.538 782 1HG1 ILE 8 2HG1 ILE 8 15.597 8.558 7.393 783 2HG1 ILE 8 1HG1 ILE 8 14.883 7.407 6.269 784 1HG2 ILE 8 1HG2 ILE 8 13.621 10.993 6.082 785 2HG2 ILE 8 2HG2 ILE 8 13.634 9.627 7.198 786 3HG2 ILE 8 3HG2 ILE 8 12.830 9.481 5.634 787 1HD1 ILE 8 1HD1 ILE 8 16.845 7.136 5.101 788 2HD1 ILE 8 2HD1 ILE 8 17.427 7.349 6.752 789 3HD1 ILE 8 3HD1 ILE 8 17.490 8.695 5.613 790 H LYS 9 H LYS 9 12.261 9.459 3.710 791 HA LYS 9 HA LYS 9 12.739 12.056 2.441 792 1HB LYS 9 2HB LYS 9 11.018 9.878 1.253 793 2HB LYS 9 1HB LYS 9 11.102 11.531 0.662 794 1HG LYS 9 2HG LYS 9 13.493 11.219 0.187 795 2HG LYS 9 1HG LYS 9 13.367 9.547 0.734 796 1HD LYS 9 2HD LYS 9 13.256 9.670 -1.695 797 2HD LYS 9 1HD LYS 9 11.724 9.101 -1.031 798 1HE LYS 9 2HE LYS 9 10.781 11.338 -1.265 799 2HE LYS 9 1HE LYS 9 12.319 11.931 -1.894 800 1HZ LYS 9 1HZ LYS 9 10.707 11.456 -3.652 801 2HZ LYS 9 2HZ LYS 9 10.650 9.835 -3.175 802 3HZ LYS 9 3HZ LYS 9 12.085 10.484 -3.791 803 H ASN 10 H ASN 10 10.312 9.819 3.777 804 HA ASN 10 HA ASN 10 8.729 12.187 4.539 805 1HB ASN 10 2HB ASN 10 7.732 9.366 4.113 806 2HB ASN 10 1HB ASN 10 6.750 10.769 4.514 807 1HD2 ASN 10 1HD2 ASN 10 5.698 11.554 2.863 808 2HD2 ASN 10 2HD2 ASN 10 6.227 11.567 1.217 809 H ALA 11 H ALA 11 10.714 11.703 6.258 810 HA ALA 11 HA ALA 11 10.166 9.824 8.298 811 1HB ALA 11 1HB ALA 11 11.619 11.516 9.667 812 2HB ALA 11 2HB ALA 11 11.887 12.254 8.087 813 3HB ALA 11 3HB ALA 11 12.342 10.573 8.365 814 H ASP 12 H ASP 12 8.823 9.896 10.025 815 HA ASP 12 HA ASP 12 7.748 12.413 10.967 816 1HB ASP 12 2HB ASP 12 5.943 10.290 9.805 817 2HB ASP 12 1HB ASP 12 5.384 11.656 10.759 818 H MET 13 H MET 13 9.390 10.951 12.421 819 HA MET 13 HA MET 13 7.930 10.371 14.743 820 1HB MET 13 2HB MET 13 8.307 7.934 14.908 821 2HB MET 13 1HB MET 13 7.214 8.361 13.600 822 1HG MET 13 2HG MET 13 8.953 8.040 11.974 823 2HG MET 13 1HG MET 13 10.139 7.766 13.246 824 1HE MET 13 1HE MET 13 6.955 5.962 11.349 825 2HE MET 13 2HE MET 13 6.511 6.736 12.870 826 3HE MET 13 3HE MET 13 6.532 4.978 12.749 827 H SER 14 H SER 14 9.485 8.800 16.207 828 HA SER 14 HA SER 14 11.779 10.368 16.689 829 1HB SER 14 2HB SER 14 11.090 7.604 17.713 830 2HB SER 14 1HB SER 14 12.347 8.650 18.372 831 HG SER 14 HG SER 14 9.881 8.598 19.119 832 H GLU 15 H GLU 15 13.942 10.016 16.331 833 HA GLU 15 HA GLU 15 14.774 8.850 13.964 834 1HB GLU 15 2HB GLU 15 17.059 9.045 14.838 835 2HB GLU 15 1HB GLU 15 16.116 10.491 15.167 836 1HG GLU 15 2HG GLU 15 15.758 9.740 17.461 837 2HG GLU 15 1HG GLU 15 16.705 8.289 17.132 838 H GLU 16 H GLU 16 14.713 7.450 17.201 839 HA GLU 16 HA GLU 16 16.080 5.079 16.623 840 1HB GLU 16 2HB GLU 16 14.976 4.157 18.618 841 2HB GLU 16 1HB GLU 16 15.599 5.774 18.912 842 1HG GLU 16 2HG GLU 16 13.358 6.696 18.615 843 2HG GLU 16 1HG GLU 16 12.733 5.073 18.319 844 H MET 17 H MET 17 12.649 5.873 16.389 845 HA MET 17 HA MET 17 11.785 3.293 15.645 846 1HB MET 17 2HB MET 17 10.525 5.962 14.985 847 2HB MET 17 1HB MET 17 9.724 4.397 14.930 848 1HG MET 17 2HG MET 17 9.934 4.153 17.315 849 2HG MET 17 1HG MET 17 10.870 5.642 17.417 850 1HE MET 17 1HE MET 17 7.798 4.831 15.213 851 2HE MET 17 2HE MET 17 6.458 5.583 16.077 852 3HE MET 17 3HE MET 17 7.226 4.134 16.728 853 H GLN 18 H GLN 18 12.768 6.119 13.769 854 HA GLN 18 HA GLN 18 12.200 5.013 11.230 855 1HB GLN 18 2HB GLN 18 14.253 7.122 11.905 856 2HB GLN 18 1HB GLN 18 13.515 6.840 10.334 857 1HG GLN 18 2HG GLN 18 11.373 7.555 11.153 858 2HG GLN 18 1HG GLN 18 12.013 7.699 12.792 859 1HE2 GLN 18 1HE2 GLN 18 12.546 9.650 13.398 860 2HE2 GLN 18 2HE2 GLN 18 13.000 10.955 12.366 861 H GLN 19 H GLN 19 15.160 5.158 13.165 862 HA GLN 19 HA GLN 19 16.772 3.900 11.197 863 1HB GLN 19 2HB GLN 19 18.464 3.735 12.916 864 2HB GLN 19 1HB GLN 19 17.690 5.314 13.001 865 1HG GLN 19 2HG GLN 19 16.415 4.649 14.909 866 2HG GLN 19 1HG GLN 19 16.998 2.993 14.780 867 1HE2 GLN 19 1HE2 GLN 19 17.533 6.039 16.132 868 2HE2 GLN 19 2HE2 GLN 19 19.097 5.740 16.799 869 H ASP 20 H ASP 20 14.774 2.742 13.832 870 HA ASP 20 HA ASP 20 15.734 0.076 13.846 871 1HB ASP 20 2HB ASP 20 14.442 1.012 15.717 872 2HB ASP 20 1HB ASP 20 13.030 1.150 14.675 873 H SER 21 H SER 21 13.150 1.704 12.084 874 HA SER 21 HA SER 21 12.137 -0.663 10.880 875 1HB SER 21 2HB SER 21 11.931 2.217 9.955 876 2HB SER 21 1HB SER 21 10.971 0.875 9.334 877 HG SER 21 HG SER 21 9.697 1.095 10.979 878 H VAL 22 H VAL 22 14.495 1.774 9.903 879 HA VAL 22 HA VAL 22 14.960 0.741 7.316 880 HB VAL 22 HB VAL 22 16.859 2.332 9.047 881 1HG1 VAL 22 1HG1 VAL 22 17.613 3.093 6.692 882 2HG1 VAL 22 2HG1 VAL 22 16.837 1.607 6.142 883 3HG1 VAL 22 3HG1 VAL 22 18.163 1.533 7.303 884 1HG2 VAL 22 1HG2 VAL 22 15.814 4.255 8.451 885 2HG2 VAL 22 2HG2 VAL 22 14.419 3.180 8.367 886 3HG2 VAL 22 3HG2 VAL 22 15.285 3.617 6.894 887 H GLU 23 H GLU 23 16.599 0.236 10.420 888 HA GLU 23 HA GLU 23 18.565 -1.524 9.369 889 1HB GLU 23 2HB GLU 23 19.093 -2.066 11.664 890 2HB GLU 23 1HB GLU 23 18.808 -0.334 11.539 891 1HG GLU 23 2HG GLU 23 16.534 -0.674 12.401 892 2HG GLU 23 1HG GLU 23 16.879 -2.391 12.586 893 H CYS 24 H CYS 24 15.435 -1.992 10.942 894 HA CYS 24 HA CYS 24 15.488 -4.798 11.034 895 1HB CYS 24 2HB CYS 24 13.837 -3.376 12.232 896 2HB CYS 24 1HB CYS 24 13.065 -3.020 10.692 897 HG CYS 24 HG CYS 24 11.757 -4.949 11.819 898 H ALA 25 H ALA 25 14.484 -2.560 8.499 899 HA ALA 25 HA ALA 25 13.448 -4.531 6.737 900 1HB ALA 25 1HB ALA 25 14.602 -2.053 5.598 901 2HB ALA 25 2HB ALA 25 13.295 -1.855 6.764 902 3HB ALA 25 3HB ALA 25 13.037 -2.812 5.307 903 H THR 26 H THR 26 16.580 -3.083 7.294 904 HA THR 26 HA THR 26 17.923 -4.039 5.048 905 HB THR 26 HB THR 26 18.995 -3.549 7.826 906 HG1 THR 26 1HG THR 26 18.669 -1.874 5.574 907 1HG2 THR 26 1HG2 THR 26 20.651 -4.769 6.620 908 2HG2 THR 26 2HG2 THR 26 21.137 -3.073 6.668 909 3HG2 THR 26 3HG2 THR 26 20.436 -3.750 5.196 910 H GLN 27 H GLN 27 17.423 -5.452 8.238 911 HA GLN 27 HA GLN 27 18.960 -7.769 7.909 912 1HB GLN 27 2HB GLN 27 16.436 -7.386 9.537 913 2HB GLN 27 1HB GLN 27 17.567 -8.720 9.716 914 1HG GLN 27 2HG GLN 27 19.318 -7.156 10.381 915 2HG GLN 27 1HG GLN 27 18.190 -5.814 10.193 916 1HE2 GLN 27 1HE2 GLN 27 17.402 -5.114 12.032 917 2HE2 GLN 27 2HE2 GLN 27 17.082 -6.065 13.439 918 H ALA 28 H ALA 28 15.523 -7.150 7.279 919 HA ALA 28 HA ALA 28 14.783 -9.709 6.471 920 1HB ALA 28 1HB ALA 28 12.969 -8.332 6.713 921 2HB ALA 28 2HB ALA 28 13.133 -8.328 4.956 922 3HB ALA 28 3HB ALA 28 13.755 -6.975 5.902 923 H LEU 29 H LEU 29 16.257 -7.088 4.610 924 HA LEU 29 HA LEU 29 16.081 -8.315 2.091 925 1HB LEU 29 2HB LEU 29 17.915 -6.214 3.197 926 2HB LEU 29 1HB LEU 29 18.029 -6.767 1.537 927 HG LEU 29 HG LEU 29 15.493 -5.663 2.708 928 1HD1 LEU 29 1HD1 LEU 29 17.691 -4.150 2.534 929 2HD1 LEU 29 2HD1 LEU 29 16.076 -3.529 2.189 930 3HD1 LEU 29 3HD1 LEU 29 17.132 -4.026 0.865 931 1HD2 LEU 29 1HD2 LEU 29 16.441 -6.123 -0.113 932 2HD2 LEU 29 2HD2 LEU 29 14.936 -5.318 0.330 933 3HD2 LEU 29 3HD2 LEU 29 15.181 -7.017 0.738 934 H GLU 30 H GLU 30 18.735 -8.207 4.432 935 HA GLU 30 HA GLU 30 20.468 -9.870 2.911 936 1HB GLU 30 2HB GLU 30 20.504 -9.219 5.864 937 2HB GLU 30 1HB GLU 30 21.817 -9.978 4.975 938 1HG GLU 30 2HG GLU 30 22.046 -7.976 3.598 939 2HG GLU 30 1HG GLU 30 20.728 -7.215 4.488 940 H LYS 31 H LYS 31 18.023 -10.460 5.332 941 HA LYS 31 HA LYS 31 18.766 -13.204 5.739 942 1HB LYS 31 2HB LYS 31 16.375 -11.596 6.628 943 2HB LYS 31 1HB LYS 31 16.617 -13.287 7.043 944 1HG LYS 31 2HG LYS 31 18.675 -12.725 8.209 945 2HG LYS 31 1HG LYS 31 18.478 -11.030 7.763 946 1HD LYS 31 2HD LYS 31 16.388 -10.936 9.026 947 2HD LYS 31 1HD LYS 31 16.569 -12.637 9.458 948 1HE LYS 31 2HE LYS 31 18.645 -12.118 10.639 949 2HE LYS 31 1HE LYS 31 18.473 -10.419 10.201 950 1HZ LYS 31 1HZ LYS 31 16.442 -10.312 11.482 951 2HZ LYS 31 2HZ LYS 31 17.707 -10.869 12.459 952 3HZ LYS 31 3HZ LYS 31 16.554 -11.956 11.868 953 H TYR 32 H TYR 32 16.648 -11.460 3.592 954 HA TYR 32 HA TYR 32 15.940 -14.010 2.370 955 1HB TYR 32 2HB TYR 32 13.852 -11.937 3.043 956 2HB TYR 32 1HB TYR 32 13.577 -13.501 2.284 957 HD1 TYR 32 1HD TYR 32 14.503 -15.561 3.712 958 HD2 TYR 32 2HD TYR 32 13.453 -11.758 5.302 959 HE1 TYR 32 1HE TYR 32 14.207 -16.577 5.931 960 HE2 TYR 32 2HE TYR 32 13.146 -12.760 7.525 961 HH TYR 32 HH TYR 32 13.976 -14.787 8.760 962 H ASN 33 H ASN 33 15.724 -10.474 2.127 963 HA ASN 33 HA ASN 33 16.074 -9.070 0.364 964 1HB ASN 33 2HB ASN 33 17.980 -10.635 -0.158 965 2HB ASN 33 1HB ASN 33 16.892 -11.503 -1.234 966 1HD2 ASN 33 1HD2 ASN 33 19.254 -9.274 -1.152 967 2HD2 ASN 33 2HD2 ASN 33 18.889 -8.388 -2.589 968 H ILE 34 H ILE 34 13.539 -9.611 0.807 969 HA ILE 34 HA ILE 34 12.388 -9.684 -1.879 970 HB ILE 34 HB ILE 34 11.313 -11.397 0.366 971 1HG1 ILE 34 2HG1 ILE 34 13.370 -12.318 -0.653 972 2HG1 ILE 34 1HG1 ILE 34 11.959 -13.311 -0.998 973 1HG2 ILE 34 1HG2 ILE 34 9.956 -10.254 -1.764 974 2HG2 ILE 34 2HG2 ILE 34 9.414 -11.610 -0.777 975 3HG2 ILE 34 3HG2 ILE 34 10.271 -11.907 -2.289 976 1HD1 ILE 34 1HD1 ILE 34 11.943 -12.745 -3.225 977 2HD1 ILE 34 2HD1 ILE 34 13.671 -12.780 -2.871 978 3HD1 ILE 34 3HD1 ILE 34 12.819 -11.238 -2.959 979 H GLU 35 H GLU 35 11.035 -8.028 -2.113 980 HA GLU 35 HA GLU 35 10.501 -6.116 -0.218 981 1HB GLU 35 2HB GLU 35 8.687 -5.341 -1.701 982 2HB GLU 35 1HB GLU 35 10.161 -5.717 -2.584 983 1HG GLU 35 2HG GLU 35 9.202 -7.884 -3.227 984 2HG GLU 35 1HG GLU 35 7.713 -7.459 -2.383 985 H LYS 36 H LYS 36 8.399 -8.834 -1.134 986 HA LYS 36 HA LYS 36 6.249 -8.219 0.549 987 1HB LYS 36 2HB LYS 36 6.110 -9.892 -1.233 988 2HB LYS 36 1HB LYS 36 7.238 -10.926 -0.368 989 1HG LYS 36 2HG LYS 36 5.584 -11.037 1.499 990 2HG LYS 36 1HG LYS 36 4.446 -10.178 0.461 991 1HD LYS 36 2HD LYS 36 4.028 -12.556 0.344 992 2HD LYS 36 1HD LYS 36 4.644 -11.980 -1.203 993 1HE LYS 36 2HE LYS 36 6.868 -12.804 -0.638 994 2HE LYS 36 1HE LYS 36 6.279 -13.343 0.933 995 1HZ LYS 36 1HZ LYS 36 5.279 -15.138 0.043 996 2HZ LYS 36 2HZ LYS 36 6.424 -14.925 -1.184 997 3HZ LYS 36 3HZ LYS 36 4.848 -14.346 -1.391 998 H ASP 37 H ASP 37 8.830 -10.609 1.096 999 HA ASP 37 HA ASP 37 8.196 -11.323 3.682 1000 1HB ASP 37 2HB ASP 37 10.901 -11.160 2.351 1001 2HB ASP 37 1HB ASP 37 10.613 -11.949 3.896 1002 H ILE 38 H ILE 38 10.243 -8.623 2.618 1003 HA ILE 38 HA ILE 38 11.264 -7.793 5.045 1004 HB ILE 38 HB ILE 38 10.371 -6.111 2.701 1005 1HG1 ILE 38 2HG1 ILE 38 13.151 -6.933 3.547 1006 2HG1 ILE 38 1HG1 ILE 38 12.200 -7.814 2.359 1007 1HG2 ILE 38 1HG2 ILE 38 10.444 -4.686 4.643 1008 2HG2 ILE 38 2HG2 ILE 38 11.846 -4.354 3.626 1009 3HG2 ILE 38 3HG2 ILE 38 12.028 -5.319 5.091 1010 1HD1 ILE 38 1HD1 ILE 38 13.670 -5.297 2.112 1011 2HD1 ILE 38 2HD1 ILE 38 12.071 -5.298 1.368 1012 3HD1 ILE 38 3HD1 ILE 38 13.264 -6.505 0.892 1013 H ALA 39 H ALA 39 8.143 -6.920 3.593 1014 HA ALA 39 HA ALA 39 7.319 -5.148 5.604 1015 1HB ALA 39 1HB ALA 39 6.105 -6.480 3.312 1016 2HB ALA 39 2HB ALA 39 5.883 -4.841 3.922 1017 3HB ALA 39 3HB ALA 39 4.974 -6.175 4.630 1018 H ALA 40 H ALA 40 6.859 -8.638 5.259 1019 HA ALA 40 HA ALA 40 5.084 -8.981 7.408 1020 1HB ALA 40 1HB ALA 40 6.025 -10.602 5.485 1021 2HB ALA 40 2HB ALA 40 5.200 -11.180 6.932 1022 3HB ALA 40 3HB ALA 40 6.963 -11.184 6.861 1023 H HIS 41 H HIS 41 8.630 -9.228 7.293 1024 HA HIS 41 HA HIS 41 8.950 -10.006 9.987 1025 1HB HIS 41 2HB HIS 41 10.944 -8.571 8.232 1026 2HB HIS 41 1HB HIS 41 11.301 -9.531 9.667 1027 HD1 HIS 41 1HD HIS 41 9.983 -12.103 9.288 1028 HD2 HIS 41 2HD HIS 41 11.601 -10.033 6.069 1029 HE1 HIS 41 1HE HIS 41 10.313 -13.822 7.485 1030 HE2 HIS 41 2HE HIS 41 11.203 -12.532 5.517 1031 H ILE 42 H ILE 42 9.351 -6.821 8.431 1032 HA ILE 42 HA ILE 42 9.937 -5.428 10.811 1033 HB ILE 42 HB ILE 42 8.695 -4.320 8.289 1034 1HG1 ILE 42 2HG1 ILE 42 11.603 -4.593 9.080 1035 2HG1 ILE 42 1HG1 ILE 42 10.789 -5.509 7.817 1036 1HG2 ILE 42 1HG2 ILE 42 8.560 -2.854 10.282 1037 2HG2 ILE 42 2HG2 ILE 42 9.566 -2.189 8.997 1038 3HG2 ILE 42 3HG2 ILE 42 10.316 -2.924 10.415 1039 1HD1 ILE 42 1HD1 ILE 42 10.291 -2.934 7.070 1040 2HD1 ILE 42 2HD1 ILE 42 11.592 -3.948 6.449 1041 3HD1 ILE 42 3HD1 ILE 42 11.907 -2.821 7.766 1042 H LYS 43 H LYS 43 6.897 -5.940 9.061 1043 HA LYS 43 HA LYS 43 5.241 -4.289 10.549 1044 1HB LYS 43 2HB LYS 43 4.504 -5.337 8.493 1045 2HB LYS 43 1HB LYS 43 4.624 -6.931 9.221 1046 1HG LYS 43 2HG LYS 43 2.821 -6.374 10.765 1047 2HG LYS 43 1HG LYS 43 2.704 -4.764 10.049 1048 1HD LYS 43 2HD LYS 43 2.096 -5.742 7.905 1049 2HD LYS 43 1HD LYS 43 2.274 -7.364 8.579 1050 1HE LYS 43 2HE LYS 43 -0.072 -6.707 8.485 1051 2HE LYS 43 1HE LYS 43 0.462 -6.915 10.153 1052 1HZ LYS 43 1HZ LYS 43 0.077 -4.779 10.611 1053 2HZ LYS 43 2HZ LYS 43 -0.843 -4.755 9.191 1054 3HZ LYS 43 3HZ LYS 43 0.763 -4.228 9.165 1055 H LYS 44 H LYS 44 5.689 -7.800 11.030 1056 HA LYS 44 HA LYS 44 4.171 -8.011 13.351 1057 1HB LYS 44 2HB LYS 44 6.543 -9.654 12.474 1058 2HB LYS 44 1HB LYS 44 5.433 -10.113 13.757 1059 1HG LYS 44 2HG LYS 44 3.589 -10.099 12.117 1060 2HG LYS 44 1HG LYS 44 4.758 -9.743 10.847 1061 1HD LYS 44 2HD LYS 44 4.832 -12.184 12.619 1062 2HD LYS 44 1HD LYS 44 4.147 -12.145 10.993 1063 1HE LYS 44 2HE LYS 44 6.331 -13.023 10.772 1064 2HE LYS 44 1HE LYS 44 6.404 -11.363 10.189 1065 1HZ LYS 44 1HZ LYS 44 7.883 -10.838 11.743 1066 2HZ LYS 44 2HZ LYS 44 8.038 -12.490 12.061 1067 3HZ LYS 44 3HZ LYS 44 6.978 -11.550 12.982 1068 H GLU 45 H GLU 45 7.656 -7.404 13.020 1069 HA GLU 45 HA GLU 45 8.339 -7.553 15.711 1070 1HB GLU 45 2HB GLU 45 9.995 -7.446 13.914 1071 2HB GLU 45 1HB GLU 45 9.534 -5.785 13.569 1072 1HG GLU 45 2HG GLU 45 10.305 -5.110 15.787 1073 2HG GLU 45 1HG GLU 45 10.773 -6.776 16.127 1074 H PHE 46 H PHE 46 7.228 -4.714 13.863 1075 HA PHE 46 HA PHE 46 7.431 -2.971 16.114 1076 1HB PHE 46 2HB PHE 46 6.109 -2.706 13.428 1077 2HB PHE 46 1HB PHE 46 5.993 -1.450 14.656 1078 HD1 PHE 46 1HD PHE 46 8.734 -3.601 13.296 1079 HD2 PHE 46 2HD PHE 46 7.395 0.311 14.284 1080 HE1 PHE 46 1HE PHE 46 10.894 -2.684 12.563 1081 HE2 PHE 46 2HE PHE 46 9.551 1.239 13.554 1082 HZ PHE 46 HZ PHE 46 11.306 -0.259 12.692 1083 H ASP 47 H ASP 47 4.810 -4.822 14.657 1084 HA ASP 47 HA ASP 47 2.704 -3.746 16.167 1085 1HB ASP 47 2HB ASP 47 3.018 -6.514 14.990 1086 2HB ASP 47 1HB ASP 47 1.518 -5.889 15.669 1087 H LYS 48 H LYS 48 4.928 -6.400 16.825 1088 HA LYS 48 HA LYS 48 3.640 -7.211 19.228 1089 1HB LYS 48 2HB LYS 48 5.374 -8.770 19.480 1090 2HB LYS 48 1HB LYS 48 5.185 -8.600 17.745 1091 1HG LYS 48 2HG LYS 48 7.458 -8.572 17.949 1092 2HG LYS 48 1HG LYS 48 7.091 -6.852 17.982 1093 1HD LYS 48 2HD LYS 48 8.727 -7.464 19.700 1094 2HD LYS 48 1HD LYS 48 7.243 -6.848 20.418 1095 1HE LYS 48 2HE LYS 48 6.504 -9.111 20.895 1096 2HE LYS 48 1HE LYS 48 7.935 -9.765 20.099 1097 1HZ LYS 48 1HZ LYS 48 7.838 -8.173 22.601 1098 2HZ LYS 48 2HZ LYS 48 9.274 -8.550 21.790 1099 3HZ LYS 48 3HZ LYS 48 8.315 -9.789 22.428 1100 H LYS 49 H LYS 49 6.360 -5.078 18.521 1101 HA LYS 49 HA LYS 49 6.922 -4.661 21.320 1102 1HB LYS 49 2HB LYS 49 8.038 -3.244 18.903 1103 2HB LYS 49 1HB LYS 49 8.666 -3.141 20.541 1104 1HG LYS 49 2HG LYS 49 9.176 -5.544 20.474 1105 2HG LYS 49 1HG LYS 49 8.594 -5.600 18.809 1106 1HD LYS 49 2HD LYS 49 10.315 -4.003 18.144 1107 2HD LYS 49 1HD LYS 49 10.888 -3.916 19.811 1108 1HE LYS 49 2HE LYS 49 11.452 -6.294 19.740 1109 2HE LYS 49 1HE LYS 49 10.867 -6.386 18.078 1110 1HZ LYS 49 1HZ LYS 49 12.617 -4.415 17.848 1111 2HZ LYS 49 2HZ LYS 49 13.040 -6.040 17.646 1112 3HZ LYS 49 3HZ LYS 49 13.343 -5.264 19.118 1113 H TYR 50 H TYR 50 6.345 -2.269 18.769 1114 HA TYR 50 HA TYR 50 5.519 -0.303 20.649 1115 1HB TYR 50 2HB TYR 50 5.422 -0.305 17.633 1116 2HB TYR 50 1HB TYR 50 5.093 1.099 18.645 1117 HD1 TYR 50 1HD TYR 50 7.035 1.748 16.858 1118 HD2 TYR 50 2HD TYR 50 7.574 -0.652 20.331 1119 HE1 TYR 50 1HE TYR 50 9.428 2.298 16.862 1120 HE2 TYR 50 2HE TYR 50 9.968 -0.106 20.342 1121 HH TYR 50 HH TYR 50 11.690 0.659 18.850 1122 H ASN 51 H ASN 51 3.800 -2.707 18.889 1123 HA ASN 51 HA ASN 51 1.610 -3.365 19.371 1124 1HB ASN 51 2HB ASN 51 1.498 -1.658 21.240 1125 2HB ASN 51 1HB ASN 51 0.957 -0.490 20.037 1126 1HD2 ASN 51 1HD2 ASN 51 -1.140 -0.248 19.905 1127 2HD2 ASN 51 2HD2 ASN 51 -2.334 -1.434 20.296 1128 HA PRO 52 HA PRO 52 0.344 -2.659 15.223 1129 1HB PRO 52 2HB PRO 52 -2.410 -3.212 16.206 1130 2HB PRO 52 1HB PRO 52 -1.508 -3.985 14.899 1131 1HG PRO 52 2HG PRO 52 -1.854 -5.234 17.219 1132 2HG PRO 52 1HG PRO 52 -0.311 -5.343 16.351 1133 1HD PRO 52 2HD PRO 52 -1.030 -3.701 18.743 1134 2HD PRO 52 1HD PRO 52 0.473 -4.573 18.387 1135 H THR 53 H THR 53 -1.850 0.115 14.564 1136 HA THR 53 HA THR 53 -0.872 -2.546 13.797 1137 HB THR 53 HB THR 53 -3.311 -2.345 13.711 1138 HG1 THR 53 1HG THR 53 -3.519 -2.862 11.430 1139 1HG2 THR 53 1HG2 THR 53 -4.344 -0.523 13.037 1140 2HG2 THR 53 2HG2 THR 53 -3.673 -0.734 11.421 1141 3HG2 THR 53 3HG2 THR 53 -2.797 0.213 12.622 1142 H TRP 54 H TRP 54 1.025 -2.259 12.858 1143 HA TRP 54 HA TRP 54 1.598 0.059 11.242 1144 1HB TRP 54 2HB TRP 54 3.304 -2.359 11.815 1145 2HB TRP 54 1HB TRP 54 3.849 -0.847 11.093 1146 HD1 TRP 54 HD TRP 54 2.081 -1.896 14.387 1147 HE1 TRP 54 1HE TRP 54 3.060 -0.486 16.287 1148 HE3 TRP 54 3HE TRP 54 5.297 0.985 11.657 1149 HZ2 TRP 54 2HZ TRP 54 4.952 1.599 16.594 1150 HZ3 TRP 54 3HZ TRP 54 6.651 2.673 12.830 1151 HH2 TRP 54 HH TRP 54 6.478 2.972 15.246 1152 H HIS 55 H HIS 55 1.280 0.225 9.173 1153 HA HIS 55 HA HIS 55 0.845 -2.194 7.574 1154 1HB HIS 55 2HB HIS 55 0.368 0.664 6.715 1155 2HB HIS 55 1HB HIS 55 -0.304 -0.806 6.013 1156 HD1 HIS 55 1HD HIS 55 -1.637 -2.217 8.202 1157 HD2 HIS 55 2HD HIS 55 -1.594 1.929 8.052 1158 HE1 HIS 55 1HE HIS 55 -3.582 -1.473 9.614 1159 HE2 HIS 55 2HE HIS 55 -3.612 1.036 9.396 1160 H CYS 56 H CYS 56 2.241 -2.742 5.921 1161 HA CYS 56 HA CYS 56 4.410 -0.830 5.358 1162 1HB CYS 56 2HB CYS 56 5.211 -2.528 6.957 1163 2HB CYS 56 1HB CYS 56 4.788 -3.793 5.809 1164 HG CYS 56 HG CYS 56 7.404 -2.707 5.853 1165 H ILE 57 H ILE 57 5.394 -0.959 3.351 1166 HA ILE 57 HA ILE 57 4.321 -2.793 1.360 1167 HB ILE 57 HB ILE 57 4.237 0.192 0.921 1168 1HG1 ILE 57 2HG1 ILE 57 1.959 -1.720 1.479 1169 2HG1 ILE 57 1HG1 ILE 57 2.549 -0.480 2.580 1170 1HG2 ILE 57 1HG2 ILE 57 2.857 -0.503 -1.058 1171 2HG2 ILE 57 2HG2 ILE 57 3.332 -2.166 -0.715 1172 3HG2 ILE 57 3HG2 ILE 57 4.556 -0.968 -1.131 1173 1HD1 ILE 57 1HD1 ILE 57 0.663 0.470 1.630 1174 2HD1 ILE 57 2HD1 ILE 57 1.031 -0.163 0.026 1175 3HD1 ILE 57 3HD1 ILE 57 1.984 1.163 0.690 1176 H VAL 58 H VAL 58 5.759 -3.175 -0.316 1177 HA VAL 58 HA VAL 58 8.117 -1.488 -0.589 1178 HB VAL 58 HB VAL 58 8.364 -4.434 0.038 1179 1HG1 VAL 58 1HG1 VAL 58 10.048 -3.641 -1.555 1180 2HG1 VAL 58 2HG1 VAL 58 10.770 -4.048 0.002 1181 3HG1 VAL 58 3HG1 VAL 58 10.503 -2.359 -0.434 1182 1HG2 VAL 58 1HG2 VAL 58 7.843 -3.284 2.057 1183 2HG2 VAL 58 2HG2 VAL 58 8.979 -1.988 1.682 1184 3HG2 VAL 58 3HG2 VAL 58 9.577 -3.602 2.066 1185 H GLY 59 H GLY 59 8.772 -1.355 -2.644 1186 1HA GLY 59 2HA GLY 59 8.752 -3.430 -4.530 1187 2HA GLY 59 1HA GLY 59 7.275 -2.500 -4.731 1188 H ARG 60 H ARG 60 7.586 -1.379 -6.565 1189 HA ARG 60 HA ARG 60 9.342 0.839 -6.600 1190 1HB ARG 60 2HB ARG 60 10.966 -1.050 -6.985 1191 2HB ARG 60 1HB ARG 60 10.127 -1.382 -8.492 1192 1HG ARG 60 2HG ARG 60 10.647 1.000 -9.159 1193 2HG ARG 60 1HG ARG 60 11.716 1.058 -7.756 1194 1HD ARG 60 2HD ARG 60 11.902 -0.840 -10.091 1195 2HD ARG 60 1HD ARG 60 12.986 0.503 -9.737 1196 HE ARG 60 HE ARG 60 12.988 -1.192 -7.526 1197 1HH1 ARG 60 1HH1 ARG 60 13.949 -1.264 -10.881 1198 2HH1 ARG 60 2HH1 ARG 60 15.227 -2.404 -10.622 1199 1HH2 ARG 60 1HH2 ARG 60 14.668 -2.697 -7.185 1200 2HH2 ARG 60 2HH2 ARG 60 15.634 -3.218 -8.526 1201 H ASN 61 H ASN 61 6.603 0.389 -7.074 1202 HA ASN 61 HA ASN 61 5.988 1.993 -9.185 1203 1HB ASN 61 2HB ASN 61 7.004 0.319 -10.682 1204 2HB ASN 61 1HB ASN 61 5.900 -0.903 -10.073 1205 1HD2 ASN 61 1HD2 ASN 61 4.419 2.144 -10.341 1206 2HD2 ASN 61 2HD2 ASN 61 3.626 1.881 -11.848 1207 H PHE 62 H PHE 62 4.528 2.423 -7.378 1208 HA PHE 62 HA PHE 62 1.940 1.339 -7.792 1209 1HB PHE 62 2HB PHE 62 1.632 0.210 -5.635 1210 2HB PHE 62 1HB PHE 62 2.868 -0.579 -6.610 1211 HD1 PHE 62 1HD PHE 62 5.276 -0.163 -6.086 1212 HD2 PHE 62 2HD PHE 62 2.132 1.061 -3.502 1213 HE1 PHE 62 1HE PHE 62 6.892 0.071 -4.247 1214 HE2 PHE 62 2HE PHE 62 3.738 1.289 -1.651 1215 HZ PHE 62 HZ PHE 62 6.122 0.797 -2.022 1216 H GLY 63 H GLY 63 0.459 2.735 -7.138 1217 1HA GLY 63 2HA GLY 63 1.285 5.069 -5.611 1218 2HA GLY 63 1HA GLY 63 -0.282 4.822 -6.376 1219 H SER 64 H SER 64 0.775 5.490 -3.492 1220 HA SER 64 HA SER 64 -1.036 3.567 -2.185 1221 1HB SER 64 2HB SER 64 1.549 4.637 -1.038 1222 2HB SER 64 1HB SER 64 0.418 3.571 -0.208 1223 HG SER 64 HG SER 64 2.193 2.459 -1.197 1224 H TYR 65 H TYR 65 -2.383 4.278 -0.653 1225 HA TYR 65 HA TYR 65 -2.231 7.023 0.316 1226 1HB TYR 65 2HB TYR 65 -3.666 7.043 -1.751 1227 2HB TYR 65 1HB TYR 65 -4.756 5.919 -0.945 1228 HD1 TYR 65 1HD TYR 65 -5.502 6.779 1.507 1229 HD2 TYR 65 2HD TYR 65 -4.242 9.263 -1.709 1230 HE1 TYR 65 1HE TYR 65 -6.693 8.678 2.514 1231 HE2 TYR 65 2HE TYR 65 -5.433 11.168 -0.711 1232 HH TYR 65 HH TYR 65 -6.706 11.075 2.478 1233 H VAL 66 H VAL 66 -2.605 7.006 2.448 1234 HA VAL 66 HA VAL 66 -4.488 5.150 3.655 1235 HB VAL 66 HB VAL 66 -1.583 5.090 4.480 1236 1HG1 VAL 66 1HG1 VAL 66 -2.452 2.917 5.584 1237 2HG1 VAL 66 2HG1 VAL 66 -4.037 3.657 5.394 1238 3HG1 VAL 66 3HG1 VAL 66 -2.797 4.468 6.348 1239 1HG2 VAL 66 1HG2 VAL 66 -3.124 3.152 2.759 1240 2HG2 VAL 66 2HG2 VAL 66 -1.576 2.781 3.514 1241 3HG2 VAL 66 3HG2 VAL 66 -1.684 4.073 2.319 1242 H THR 67 H THR 67 -4.491 5.468 6.119 1243 HA THR 67 HA THR 67 -3.885 8.282 6.761 1244 HB THR 67 HB THR 67 -6.128 6.545 7.823 1245 HG1 THR 67 1HG THR 67 -6.062 8.697 5.995 1246 1HG2 THR 67 1HG2 THR 67 -6.822 9.054 8.498 1247 2HG2 THR 67 2HG2 THR 67 -5.074 9.134 8.715 1248 3HG2 THR 67 3HG2 THR 67 -6.017 7.924 9.585 1249 H HIS 68 H HIS 68 -3.042 8.753 8.820 1250 HA HIS 68 HA HIS 68 -2.503 6.638 10.703 1251 1HB HIS 68 2HB HIS 68 -0.022 6.871 10.507 1252 2HB HIS 68 1HB HIS 68 -0.779 6.138 9.093 1253 HD1 HIS 68 1HD HIS 68 0.686 9.426 10.239 1254 HD2 HIS 68 2HD HIS 68 -0.422 7.495 6.733 1255 HE1 HIS 68 1HE HIS 68 1.479 10.912 8.376 1256 HE2 HIS 68 2HE HIS 68 0.710 9.774 6.266 1257 H GLU 69 H GLU 69 -2.009 7.396 12.708 1258 HA GLU 69 HA GLU 69 -2.514 10.117 13.297 1259 1HB GLU 69 2HB GLU 69 -2.012 9.531 15.598 1260 2HB GLU 69 1HB GLU 69 -2.989 8.267 14.863 1261 1HG GLU 69 2HG GLU 69 -0.984 6.915 14.522 1262 2HG GLU 69 1HG GLU 69 -0.009 8.182 15.268 1263 H THR 70 H THR 70 -1.101 11.657 14.296 1264 HA THR 70 HA THR 70 1.300 12.077 12.950 1265 HB THR 70 HB THR 70 1.739 13.828 14.652 1266 HG1 THR 70 1HG THR 70 0.929 12.814 16.482 1267 1HG2 THR 70 1HG2 THR 70 -1.077 14.357 14.372 1268 2HG2 THR 70 2HG2 THR 70 -0.380 13.769 12.864 1269 3HG2 THR 70 3HG2 THR 70 0.306 15.186 13.658 1270 H LYS 71 H LYS 71 3.475 11.999 13.614 1271 HA LYS 71 HA LYS 71 5.333 11.082 14.562 1272 1HB LYS 71 2HB LYS 71 3.521 10.567 16.927 1273 2HB LYS 71 1HB LYS 71 5.274 10.450 16.935 1274 1HG LYS 71 2HG LYS 71 3.688 12.963 16.446 1275 2HG LYS 71 1HG LYS 71 4.487 12.522 17.954 1276 1HD LYS 71 2HD LYS 71 6.081 13.885 17.040 1277 2HD LYS 71 1HD LYS 71 6.598 12.332 16.386 1278 1HE LYS 71 2HE LYS 71 5.408 12.822 14.300 1279 2HE LYS 71 1HE LYS 71 4.884 14.368 14.962 1280 1HZ LYS 71 1HZ LYS 71 7.080 14.039 13.481 1281 2HZ LYS 71 2HZ LYS 71 7.740 13.899 15.031 1282 3HZ LYS 71 3HZ LYS 71 6.880 15.290 14.603 1283 H HIS 72 H HIS 72 3.605 9.523 12.912 1284 HA HIS 72 HA HIS 72 4.656 6.919 13.529 1285 1HB HIS 72 2HB HIS 72 1.656 7.319 13.444 1286 2HB HIS 72 1HB HIS 72 2.468 5.760 13.450 1287 HD1 HIS 72 1HD HIS 72 2.093 8.810 15.682 1288 HD2 HIS 72 2HD HIS 72 2.929 4.750 15.929 1289 HE1 HIS 72 1HE HIS 72 2.184 8.292 18.140 1290 HE2 HIS 72 2HE HIS 72 2.785 5.849 18.265 1291 H PHE 73 H PHE 73 5.632 7.871 11.491 1292 HA PHE 73 HA PHE 73 4.544 6.521 9.253 1293 1HB PHE 73 2HB PHE 73 2.995 8.360 9.136 1294 2HB PHE 73 1HB PHE 73 4.297 9.531 9.295 1295 HD1 PHE 73 1HD PHE 73 3.643 6.583 7.099 1296 HD2 PHE 73 2HD PHE 73 4.666 10.703 7.370 1297 HE1 PHE 73 1HE PHE 73 3.831 6.694 4.647 1298 HE2 PHE 73 2HE PHE 73 4.855 10.823 4.922 1299 HZ PHE 73 HZ PHE 73 4.439 8.815 3.556 1300 H ILE 74 H ILE 74 6.096 6.129 7.745 1301 HA ILE 74 HA ILE 74 8.411 7.848 7.532 1302 HB ILE 74 HB ILE 74 9.042 6.508 9.460 1303 1HG1 ILE 74 2HG1 ILE 74 10.512 5.678 6.948 1304 2HG1 ILE 74 1HG1 ILE 74 10.795 7.152 7.866 1305 1HG2 ILE 74 1HG2 ILE 74 8.105 4.479 9.579 1306 2HG2 ILE 74 2HG2 ILE 74 9.481 3.952 8.610 1307 3HG2 ILE 74 3HG2 ILE 74 7.950 4.344 7.827 1308 1HD1 ILE 74 1HD1 ILE 74 11.045 4.519 9.230 1309 2HD1 ILE 74 2HD1 ILE 74 11.857 6.046 9.567 1310 3HD1 ILE 74 3HD1 ILE 74 12.340 5.081 8.172 1311 H TYR 75 H TYR 75 9.520 7.611 5.659 1312 HA TYR 75 HA TYR 75 8.931 5.360 3.890 1313 1HB TYR 75 2HB TYR 75 7.316 7.177 3.321 1314 2HB TYR 75 1HB TYR 75 8.680 8.245 3.009 1315 HD1 TYR 75 1HD TYR 75 7.692 4.773 2.020 1316 HD2 TYR 75 2HD TYR 75 9.117 8.584 0.781 1317 HE1 TYR 75 1HE TYR 75 7.769 3.981 -0.307 1318 HE2 TYR 75 2HE TYR 75 9.198 7.804 -1.549 1319 HH TYR 75 HH TYR 75 8.100 6.050 -2.941 1320 H PHE 76 H PHE 76 10.669 4.810 2.599 1321 HA PHE 76 HA PHE 76 12.810 6.584 2.037 1322 1HB PHE 76 2HB PHE 76 14.534 5.451 3.435 1323 2HB PHE 76 1HB PHE 76 13.330 6.325 4.375 1324 HD1 PHE 76 1HD PHE 76 14.012 2.906 3.052 1325 HD2 PHE 76 2HD PHE 76 12.376 5.279 6.181 1326 HE1 PHE 76 1HE PHE 76 13.561 0.870 4.355 1327 HE2 PHE 76 2HE PHE 76 11.925 3.247 7.492 1328 HZ PHE 76 HZ PHE 76 12.518 1.037 6.579 1329 H TYR 77 H TYR 77 14.161 5.825 0.494 1330 HA TYR 77 HA TYR 77 13.425 3.359 -0.810 1331 1HB TYR 77 2HB TYR 77 15.501 5.454 -1.481 1332 2HB TYR 77 1HB TYR 77 15.176 4.039 -2.474 1333 HD1 TYR 77 1HD TYR 77 12.547 3.752 -3.020 1334 HD2 TYR 77 2HD TYR 77 14.507 7.422 -2.137 1335 HE1 TYR 77 1HE TYR 77 10.770 4.975 -4.199 1336 HE2 TYR 77 2HE TYR 77 12.733 8.657 -3.312 1337 HH TYR 77 HH TYR 77 9.819 7.467 -4.018 1338 H LEU 78 H LEU 78 14.823 1.607 -1.211 1339 HA LEU 78 HA LEU 78 17.449 1.429 -0.154 1340 1HB LEU 78 2HB LEU 78 16.192 1.370 1.959 1341 2HB LEU 78 1HB LEU 78 15.281 -0.007 1.377 1342 HG LEU 78 HG LEU 78 17.344 -1.346 1.305 1343 1HD1 LEU 78 1HD1 LEU 78 19.217 -0.118 2.786 1344 2HD1 LEU 78 2HD1 LEU 78 18.545 1.272 1.932 1345 3HD1 LEU 78 3HD1 LEU 78 19.197 -0.092 1.023 1346 1HD2 LEU 78 1HD2 LEU 78 16.869 -1.964 3.382 1347 2HD2 LEU 78 2HD2 LEU 78 15.932 -0.485 3.576 1348 3HD2 LEU 78 3HD2 LEU 78 17.634 -0.515 4.034 1349 H GLY 79 H GLY 79 18.525 -0.320 -0.961 1350 1HA GLY 79 2HA GLY 79 18.929 -2.096 -2.359 1351 2HA GLY 79 1HA GLY 79 17.471 -2.790 -1.669 1352 H GLN 80 H GLN 80 17.759 0.144 -3.603 1353 HA GLN 80 HA GLN 80 16.766 0.789 -5.537 1354 1HB GLN 80 2HB GLN 80 17.132 -2.129 -6.243 1355 2HB GLN 80 1HB GLN 80 16.766 -0.847 -7.388 1356 1HG GLN 80 2HG GLN 80 19.258 -1.054 -5.713 1357 2HG GLN 80 1HG GLN 80 19.124 -1.442 -7.427 1358 1HE2 GLN 80 1HE2 GLN 80 19.869 0.075 -8.706 1359 2HE2 GLN 80 2HE2 GLN 80 19.856 1.775 -8.398 1360 H VAL 81 H VAL 81 15.034 0.123 -3.395 1361 HA VAL 81 HA VAL 81 12.589 -0.222 -4.885 1362 HB VAL 81 HB VAL 81 11.698 -2.040 -3.483 1363 1HG1 VAL 81 1HG1 VAL 81 12.802 -2.453 -5.698 1364 2HG1 VAL 81 2HG1 VAL 81 12.776 -3.840 -4.610 1365 3HG1 VAL 81 3HG1 VAL 81 14.259 -2.908 -4.813 1366 1HG2 VAL 81 1HG2 VAL 81 13.296 -1.610 -1.575 1367 2HG2 VAL 81 2HG2 VAL 81 14.512 -2.483 -2.508 1368 3HG2 VAL 81 3HG2 VAL 81 13.038 -3.303 -1.992 1369 H ALA 82 H ALA 82 10.942 0.876 -3.983 1370 HA ALA 82 HA ALA 82 11.501 2.595 -1.779 1371 1HB ALA 82 1HB ALA 82 8.739 2.661 -2.316 1372 2HB ALA 82 2HB ALA 82 9.553 2.427 -3.864 1373 3HB ALA 82 3HB ALA 82 9.976 3.800 -2.842 1374 H ILE 83 H ILE 83 10.888 2.491 0.306 1375 HA ILE 83 HA ILE 83 9.194 0.223 1.121 1376 HB ILE 83 HB ILE 83 11.617 1.275 2.594 1377 1HG1 ILE 83 2HG1 ILE 83 11.108 -1.352 1.181 1378 2HG1 ILE 83 1HG1 ILE 83 12.217 -0.090 0.659 1379 1HG2 ILE 83 1HG2 ILE 83 9.814 0.580 4.108 1380 2HG2 ILE 83 2HG2 ILE 83 11.201 -0.505 4.202 1381 3HG2 ILE 83 3HG2 ILE 83 9.759 -0.993 3.312 1382 1HD1 ILE 83 1HD1 ILE 83 13.780 -1.255 1.723 1383 2HD1 ILE 83 2HD1 ILE 83 12.588 -2.222 2.591 1384 3HD1 ILE 83 3HD1 ILE 83 13.062 -0.642 3.212 1385 H LEU 84 H LEU 84 7.656 0.627 2.650 1386 HA LEU 84 HA LEU 84 7.589 3.269 3.911 1387 1HB LEU 84 2HB LEU 84 6.277 3.433 1.841 1388 2HB LEU 84 1HB LEU 84 5.302 2.069 2.349 1389 HG LEU 84 HG LEU 84 4.472 3.384 4.264 1390 1HD1 LEU 84 1HD1 LEU 84 6.669 5.006 3.742 1391 2HD1 LEU 84 2HD1 LEU 84 5.380 5.307 4.907 1392 3HD1 LEU 84 3HD1 LEU 84 5.273 5.978 3.279 1393 1HD2 LEU 84 1HD2 LEU 84 3.217 5.099 2.847 1394 2HD2 LEU 84 2HD2 LEU 84 3.048 3.400 2.405 1395 3HD2 LEU 84 3HD2 LEU 84 4.122 4.449 1.481 1396 H LEU 85 H LEU 85 6.496 3.349 5.873 1397 HA LEU 85 HA LEU 85 4.991 1.088 6.817 1398 1HB LEU 85 2HB LEU 85 7.256 0.274 7.172 1399 2HB LEU 85 1HB LEU 85 7.660 1.731 8.060 1400 HG LEU 85 HG LEU 85 6.087 1.121 9.827 1401 1HD1 LEU 85 1HD1 LEU 85 4.372 -0.189 9.291 1402 2HD1 LEU 85 2HD1 LEU 85 5.494 -1.548 9.362 1403 3HD1 LEU 85 3HD1 LEU 85 5.167 -0.754 7.822 1404 1HD2 LEU 85 1HD2 LEU 85 7.416 -0.495 10.832 1405 2HD2 LEU 85 2HD2 LEU 85 8.505 0.229 9.649 1406 3HD2 LEU 85 3HD2 LEU 85 7.735 -1.320 9.308 1407 H PHE 86 H PHE 86 3.715 1.545 8.563 1408 HA PHE 86 HA PHE 86 4.061 3.633 10.389 1409 1HB PHE 86 2HB PHE 86 2.378 5.255 9.552 1410 2HB PHE 86 1HB PHE 86 3.790 5.135 8.508 1411 HD1 PHE 86 1HD PHE 86 0.334 3.814 8.879 1412 HD2 PHE 86 2HD PHE 86 3.525 4.808 6.248 1413 HE1 PHE 86 1HE PHE 86 -1.116 3.358 6.950 1414 HE2 PHE 86 2HE PHE 86 2.077 4.356 4.313 1415 HZ PHE 86 HZ PHE 86 -0.247 3.628 4.662 1416 H LYS 87 H LYS 87 2.675 3.357 12.060 1417 HA LYS 87 HA LYS 87 0.748 1.226 11.835 1418 1HB LYS 87 2HB LYS 87 0.552 1.335 14.224 1419 2HB LYS 87 1HB LYS 87 2.248 1.413 13.792 1420 1HG LYS 87 2HG LYS 87 2.153 3.030 15.390 1421 2HG LYS 87 1HG LYS 87 1.856 3.995 13.945 1422 1HD LYS 87 2HD LYS 87 0.268 4.640 15.623 1423 2HD LYS 87 1HD LYS 87 -0.589 3.748 14.367 1424 1HE LYS 87 2HE LYS 87 -0.528 1.736 15.746 1425 2HE LYS 87 1HE LYS 87 0.350 2.612 16.997 1426 1HZ LYS 87 1HZ LYS 87 -1.506 3.637 17.699 1427 2HZ LYS 87 2HZ LYS 87 -2.294 2.331 16.970 1428 3HZ LYS 87 3HZ LYS 87 -2.157 3.802 16.146 1429 H SER 88 H SER 88 -1.385 1.493 13.021 1430 HA SER 88 HA SER 88 -2.571 4.134 12.680 1431 1HB SER 88 2HB SER 88 -2.890 3.069 10.496 1432 2HB SER 88 1HB SER 88 -3.636 1.674 11.275 1433 HG SER 88 HG SER 88 -5.010 3.497 10.370 1434 H GLY 89 H GLY 89 -4.122 4.562 14.153 1435 1HA GLY 89 2HA GLY 89 -4.455 2.913 16.394 1436 2HA GLY 89 1HA GLY 89 -5.469 4.291 15.991 1437 1H MET 1 1HT MET 1 -8.422 -9.994 13.092 1438 2H MET 1 2HT MET 1 -9.053 -9.442 11.594 1439 3H MET 1 3HT MET 1 -9.295 -8.521 13.021 1440 HA MET 1 HA MET 1 -7.615 -7.557 11.650 1441 1HB MET 1 2HB MET 1 -6.609 -8.838 14.201 1442 2HB MET 1 1HB MET 1 -5.872 -7.453 13.407 1443 1HG MET 1 2HG MET 1 -7.935 -6.172 13.761 1444 2HG MET 1 1HG MET 1 -8.636 -7.559 14.595 1445 1HE MET 1 1HE MET 1 -5.786 -4.909 14.588 1446 2HE MET 1 2HE MET 1 -4.854 -6.380 14.854 1447 3HE MET 1 3HE MET 1 -4.996 -5.182 16.141 1448 H LYS 2 H LYS 2 -7.778 -9.862 10.197 1449 HA LYS 2 HA LYS 2 -5.395 -11.427 10.342 1450 1HB LYS 2 2HB LYS 2 -7.449 -11.131 8.143 1451 2HB LYS 2 1HB LYS 2 -6.114 -12.270 8.092 1452 1HG LYS 2 2HG LYS 2 -8.082 -13.436 8.764 1453 2HG LYS 2 1HG LYS 2 -7.000 -13.331 10.151 1454 1HD LYS 2 2HD LYS 2 -9.340 -12.898 10.761 1455 2HD LYS 2 1HD LYS 2 -8.313 -11.499 11.065 1456 1HE LYS 2 2HE LYS 2 -10.387 -10.780 10.057 1457 2HE LYS 2 1HE LYS 2 -9.065 -10.524 8.924 1458 1HZ LYS 2 1HZ LYS 2 -9.745 -12.285 7.604 1459 2HZ LYS 2 2HZ LYS 2 -11.212 -11.576 8.060 1460 3HZ LYS 2 3HZ LYS 2 -10.683 -12.990 8.825 1461 H ASP 3 H ASP 3 -3.452 -11.050 9.475 1462 HA ASP 3 HA ASP 3 -2.936 -8.530 8.230 1463 1HB ASP 3 2HB ASP 3 -0.594 -9.287 8.167 1464 2HB ASP 3 1HB ASP 3 -1.311 -9.508 9.760 1465 H THR 4 H THR 4 -3.476 -8.177 6.150 1466 HA THR 4 HA THR 4 -3.656 -10.291 4.237 1467 HB THR 4 HB THR 4 -5.083 -8.268 4.146 1468 HG1 THR 4 1HG THR 4 -4.833 -9.347 2.219 1469 1HG2 THR 4 1HG2 THR 4 -3.179 -6.565 2.804 1470 2HG2 THR 4 2HG2 THR 4 -2.744 -6.843 4.490 1471 3HG2 THR 4 3HG2 THR 4 -4.331 -6.189 4.085 1472 H GLY 5 H GLY 5 -2.201 -10.921 2.719 1473 1HA GLY 5 2HA GLY 5 0.322 -9.398 2.562 1474 2HA GLY 5 1HA GLY 5 0.330 -11.144 2.762 1475 H ILE 6 H ILE 6 1.109 -9.067 0.578 1476 HA ILE 6 HA ILE 6 0.335 -10.804 -1.614 1477 HB ILE 6 HB ILE 6 -0.481 -8.996 -3.041 1478 1HG1 ILE 6 2HG1 ILE 6 -0.419 -7.273 -0.554 1479 2HG1 ILE 6 1HG1 ILE 6 0.745 -7.160 -1.872 1480 1HG2 ILE 6 1HG2 ILE 6 -2.664 -8.696 -2.012 1481 2HG2 ILE 6 2HG2 ILE 6 -2.006 -9.169 -0.445 1482 3HG2 ILE 6 3HG2 ILE 6 -2.080 -10.341 -1.760 1483 1HD1 ILE 6 1HD1 ILE 6 -2.211 -6.639 -2.043 1484 2HD1 ILE 6 2HD1 ILE 6 -1.091 -6.603 -3.406 1485 3HD1 ILE 6 3HD1 ILE 6 -0.918 -5.439 -2.091 1486 H GLN 7 H GLN 7 1.373 -10.021 -3.702 1487 HA GLN 7 HA GLN 7 3.704 -8.361 -3.459 1488 1HB GLN 7 2HB GLN 7 5.312 -10.159 -4.079 1489 2HB GLN 7 1HB GLN 7 4.633 -10.354 -2.469 1490 1HG GLN 7 2HG GLN 7 3.213 -12.109 -3.185 1491 2HG GLN 7 1HG GLN 7 3.559 -11.790 -4.882 1492 1HE2 GLN 7 1HE2 GLN 7 4.825 -13.249 -5.750 1493 2HE2 GLN 7 2HE2 GLN 7 6.106 -14.097 -4.960 1494 H VAL 8 H VAL 8 2.130 -7.506 -5.132 1495 HA VAL 8 HA VAL 8 1.839 -8.878 -7.604 1496 HB VAL 8 HB VAL 8 1.586 -5.913 -7.081 1497 1HG1 VAL 8 1HG1 VAL 8 0.897 -5.654 -9.189 1498 2HG1 VAL 8 2HG1 VAL 8 -0.117 -7.096 -9.122 1499 3HG1 VAL 8 3HG1 VAL 8 1.601 -7.243 -9.497 1500 1HG2 VAL 8 1HG2 VAL 8 -0.481 -6.223 -6.236 1501 2HG2 VAL 8 2HG2 VAL 8 0.140 -7.825 -5.840 1502 3HG2 VAL 8 3HG2 VAL 8 -0.825 -7.589 -7.297 1503 H ASP 9 H ASP 9 3.030 -8.829 -9.435 1504 HA ASP 9 HA ASP 9 5.133 -6.895 -9.834 1505 1HB ASP 9 1HB ASP 9 6.935 -8.576 -10.048 1506 2HB ASP 9 2HB ASP 9 5.830 -9.822 -9.483 1507 H ARG 10 H ARG 10 2.737 -7.627 -11.207 1508 HA ARG 10 HA ARG 10 3.633 -9.076 -13.572 1509 1HB ARG 10 2HB ARG 10 1.289 -8.912 -14.303 1510 2HB ARG 10 1HB ARG 10 1.434 -9.636 -12.708 1511 1HG ARG 10 2HG ARG 10 0.802 -7.517 -11.680 1512 2HG ARG 10 1HG ARG 10 0.669 -6.781 -13.278 1513 1HD ARG 10 2HD ARG 10 -1.522 -7.434 -12.428 1514 2HD ARG 10 1HD ARG 10 -1.093 -8.359 -13.867 1515 HE ARG 10 HE ARG 10 -0.303 -9.808 -11.604 1516 1HH1 ARG 10 1HH1 ARG 10 -3.224 -8.761 -13.201 1517 2HH1 ARG 10 2HH1 ARG 10 -4.163 -10.099 -12.630 1518 1HH2 ARG 10 1HH2 ARG 10 -1.536 -11.568 -10.854 1519 2HH2 ARG 10 2HH2 ARG 10 -3.205 -11.691 -11.298 1520 H ASP 11 H ASP 11 3.990 -8.176 -15.538 1521 HA ASP 11 HA ASP 11 4.348 -5.321 -15.640 1522 1HB ASP 11 2HB ASP 11 4.807 -7.440 -17.740 1523 2HB ASP 11 1HB ASP 11 5.278 -5.749 -17.890 1524 H LEU 12 H LEU 12 1.684 -5.765 -15.277 1525 HA LEU 12 HA LEU 12 -0.330 -5.070 -16.059 1526 1HB LEU 12 2HB LEU 12 1.224 -4.140 -18.474 1527 2HB LEU 12 1HB LEU 12 -0.430 -3.706 -18.092 1528 HG LEU 12 HG LEU 12 2.003 -2.971 -16.465 1529 1HD1 LEU 12 1HD1 LEU 12 0.717 -1.737 -18.733 1530 2HD1 LEU 12 2HD1 LEU 12 2.202 -1.285 -17.895 1531 3HD1 LEU 12 3HD1 LEU 12 0.647 -0.688 -17.317 1532 1HD2 LEU 12 1HD2 LEU 12 0.450 -2.965 -14.822 1533 2HD2 LEU 12 2HD2 LEU 12 -0.900 -2.825 -15.945 1534 3HD2 LEU 12 3HD2 LEU 12 0.048 -1.400 -15.527 1535 H ASP 13 H ASP 13 1.701 -6.927 -18.219 1536 HA ASP 13 HA ASP 13 1.283 -8.756 -19.497 1537 1HB ASP 13 2HB ASP 13 -1.476 -8.671 -18.260 1538 2HB ASP 13 1HB ASP 13 -0.808 -10.010 -19.187 1539 H GLY 14 H GLY 14 -1.696 -6.762 -19.505 1540 1HA GLY 14 2HA GLY 14 -2.626 -5.583 -21.275 1541 2HA GLY 14 1HA GLY 14 -1.307 -6.135 -22.296 1542 H LYS 15 H LYS 15 -1.541 -8.862 -22.165 1543 HA LYS 15 HA LYS 15 -4.186 -9.816 -22.487 1544 1HB LYS 15 2HB LYS 15 -4.105 -8.462 -24.528 1545 2HB LYS 15 1HB LYS 15 -2.636 -9.289 -25.032 1546 1HG LYS 15 2HG LYS 15 -3.873 -11.394 -25.177 1547 2HG LYS 15 1HG LYS 15 -5.346 -10.558 -24.680 1548 1HD LYS 15 2HD LYS 15 -3.733 -9.974 -27.165 1549 2HD LYS 15 1HD LYS 15 -5.260 -10.859 -27.109 1550 1HE LYS 15 2HE LYS 15 -4.840 -7.981 -26.306 1551 2HE LYS 15 1HE LYS 15 -5.606 -8.541 -27.792 1552 1HZ LYS 15 1HZ LYS 15 -7.240 -9.713 -26.287 1553 2HZ LYS 15 2HZ LYS 15 -7.347 -8.026 -26.335 1554 3HZ LYS 15 3HZ LYS 15 -6.607 -8.790 -25.019 1555 H SER 16 H SER 16 -0.838 -10.214 -23.611 1556 HA SER 16 HA SER 16 -0.948 -13.036 -23.818 1557 1HB SER 16 2HB SER 16 1.520 -12.911 -23.906 1558 2HB SER 16 1HB SER 16 0.771 -11.724 -24.973 1559 HG SER 16 HG SER 16 1.317 -10.121 -23.594 1560 H HIS 17 H HIS 17 -0.515 -14.624 -22.365 1561 HA HIS 17 HA HIS 17 -0.747 -14.020 -19.597 1562 1HB HIS 17 2HB HIS 17 -0.597 -16.413 -19.234 1563 2HB HIS 17 1HB HIS 17 -1.646 -16.092 -20.610 1564 HD1 HIS 17 1HD HIS 17 -0.239 -16.284 -23.031 1565 HD2 HIS 17 2HD HIS 17 1.204 -18.351 -19.729 1566 HE1 HIS 17 1HE HIS 17 1.290 -18.048 -23.960 1567 HE2 HIS 17 2HE HIS 17 2.081 -19.344 -21.950 1568 H LYS 18 H LYS 18 1.372 -12.556 -20.165 1569 HA LYS 18 HA LYS 18 3.598 -12.165 -19.847 1570 1HB LYS 18 2HB LYS 18 4.422 -12.898 -17.652 1571 2HB LYS 18 1HB LYS 18 2.790 -12.253 -17.556 1572 1HG LYS 18 2HG LYS 18 1.884 -14.504 -17.449 1573 2HG LYS 18 1HG LYS 18 3.507 -15.176 -17.604 1574 1HD LYS 18 2HD LYS 18 2.774 -15.180 -15.276 1575 2HD LYS 18 1HD LYS 18 4.152 -14.102 -15.501 1576 1HE LYS 18 2HE LYS 18 2.638 -12.183 -15.580 1577 2HE LYS 18 1HE LYS 18 1.258 -13.258 -15.365 1578 1HZ LYS 18 1HZ LYS 18 1.528 -12.988 -13.197 1579 2HZ LYS 18 2HZ LYS 18 2.982 -12.149 -13.405 1580 3HZ LYS 18 3HZ LYS 18 2.987 -13.837 -13.298 1581 1H MET 1 1HT MET 1 -2.962 12.912 13.940 1582 2H MET 1 2HT MET 1 -4.048 13.913 13.066 1583 3H MET 1 3HT MET 1 -2.365 13.980 12.740 1584 HA MET 1 HA MET 1 -2.448 11.667 12.045 1585 1HB MET 1 2HB MET 1 -4.659 10.697 11.602 1586 2HB MET 1 1HB MET 1 -4.451 11.054 13.309 1587 1HG MET 1 2HG MET 1 -5.784 13.072 13.069 1588 2HG MET 1 1HG MET 1 -5.963 12.759 11.343 1589 1HE MET 1 1HE MET 1 -7.693 10.941 14.975 1590 2HE MET 1 2HE MET 1 -5.973 11.078 14.611 1591 3HE MET 1 3HE MET 1 -6.837 9.586 14.240 1592 H LYS 2 H LYS 2 -2.291 11.436 9.857 1593 HA LYS 2 HA LYS 2 -3.781 13.150 8.067 1594 1HB LYS 2 2HB LYS 2 -0.778 13.379 8.321 1595 2HB LYS 2 1HB LYS 2 -1.706 14.027 6.976 1596 1HG LYS 2 2HG LYS 2 -2.040 14.826 9.859 1597 2HG LYS 2 1HG LYS 2 -1.144 15.734 8.642 1598 1HD LYS 2 2HD LYS 2 -4.086 15.071 8.513 1599 2HD LYS 2 1HD LYS 2 -3.408 16.631 8.987 1600 1HE LYS 2 2HE LYS 2 -3.079 15.287 6.306 1601 2HE LYS 2 1HE LYS 2 -4.134 16.655 6.659 1602 1HZ LYS 2 1HZ LYS 2 -2.345 17.782 5.901 1603 2HZ LYS 2 2HZ LYS 2 -1.240 16.578 6.336 1604 3HZ LYS 2 3HZ LYS 2 -1.841 17.637 7.511 1605 H ASP 3 H ASP 3 -4.046 12.273 6.103 1606 HA ASP 3 HA ASP 3 -3.344 9.558 5.742 1607 1HB ASP 3 2HB ASP 3 -4.452 9.780 3.550 1608 2HB ASP 3 1HB ASP 3 -5.428 10.444 4.857 1609 H THR 4 H THR 4 -1.633 8.645 4.831 1610 HA THR 4 HA THR 4 0.503 10.254 3.804 1611 HB THR 4 HB THR 4 0.876 8.185 5.121 1612 HG1 THR 4 1HG THR 4 2.306 9.016 3.275 1613 1HG2 THR 4 1HG2 THR 4 -1.018 6.984 3.670 1614 2HG2 THR 4 2HG2 THR 4 0.263 6.112 4.514 1615 3HG2 THR 4 3HG2 THR 4 0.414 6.451 2.789 1616 H GLY 5 H GLY 5 1.257 10.368 1.687 1617 1HA GLY 5 2HA GLY 5 -0.274 8.976 -0.385 1618 2HA GLY 5 1HA GLY 5 -0.268 10.733 -0.425 1619 H ILE 6 H ILE 6 1.057 8.157 -1.828 1620 HA ILE 6 HA ILE 6 3.260 9.665 -2.888 1621 HB ILE 6 HB ILE 6 4.993 7.978 -2.353 1622 1HG1 ILE 6 2HG1 ILE 6 4.476 6.576 -0.249 1623 2HG1 ILE 6 1HG1 ILE 6 2.784 6.851 -0.650 1624 1HG2 ILE 6 1HG2 ILE 6 5.513 8.816 -0.187 1625 2HG2 ILE 6 2HG2 ILE 6 3.818 9.175 0.144 1626 3HG2 ILE 6 3HG2 ILE 6 4.694 10.104 -1.073 1627 1HD1 ILE 6 1HD1 ILE 6 2.820 5.334 -2.278 1628 2HD1 ILE 6 2HD1 ILE 6 4.327 4.785 -1.546 1629 3HD1 ILE 6 3HD1 ILE 6 4.365 5.908 -2.905 1630 H GLN 7 H GLN 7 3.998 8.864 -4.848 1631 HA GLN 7 HA GLN 7 2.643 6.434 -5.813 1632 1HB GLN 7 2HB GLN 7 2.550 7.514 -8.055 1633 2HB GLN 7 1HB GLN 7 1.563 8.313 -6.842 1634 1HG GLN 7 2HG GLN 7 3.317 10.008 -6.555 1635 2HG GLN 7 1HG GLN 7 4.265 9.218 -7.813 1636 1HE2 GLN 7 1HE2 GLN 7 2.291 11.729 -7.239 1637 2HE2 GLN 7 2HE2 GLN 7 1.634 11.971 -8.818 1638 H VAL 8 H VAL 8 4.258 4.982 -5.730 1639 HA VAL 8 HA VAL 8 6.951 5.625 -6.503 1640 HB VAL 8 HB VAL 8 5.725 2.916 -5.955 1641 1HG1 VAL 8 1HG1 VAL 8 8.560 3.267 -5.407 1642 2HG1 VAL 8 2HG1 VAL 8 8.161 3.496 -7.108 1643 3HG1 VAL 8 3HG1 VAL 8 7.728 1.992 -6.295 1644 1HG2 VAL 8 1HG2 VAL 8 7.473 4.276 -3.986 1645 2HG2 VAL 8 2HG2 VAL 8 6.117 3.179 -3.731 1646 3HG2 VAL 8 3HG2 VAL 8 5.819 4.867 -4.147 1647 H ASP 9 H ASP 9 7.975 5.179 -8.391 1648 HA ASP 9 HA ASP 9 7.066 3.365 -10.348 1649 1HB ASP 9 2HB ASP 9 6.338 4.959 -12.084 1650 2HB ASP 9 1HB ASP 9 5.273 4.991 -10.682 1651 H ARG 10 H ARG 10 9.496 3.736 -9.210 1652 HA ARG 10 HA ARG 10 11.287 5.451 -10.492 1653 1HB ARG 10 2HB ARG 10 11.862 2.682 -9.420 1654 2HB ARG 10 1HB ARG 10 13.042 3.954 -9.699 1655 1HG ARG 10 2HG ARG 10 10.786 4.085 -7.708 1656 2HG ARG 10 1HG ARG 10 12.463 3.693 -7.328 1657 1HD ARG 10 2HD ARG 10 12.170 5.982 -6.805 1658 2HD ARG 10 1HD ARG 10 13.089 5.926 -8.307 1659 HE ARG 10 HE ARG 10 10.345 6.130 -8.896 1660 1HH1 ARG 10 1HH1 ARG 10 12.969 8.025 -7.592 1661 2HH1 ARG 10 2HH1 ARG 10 12.294 9.536 -8.101 1662 1HH2 ARG 10 1HH2 ARG 10 9.457 8.116 -9.567 1663 2HH2 ARG 10 2HH2 ARG 10 10.301 9.589 -9.222 1664 H ASP 11 H ASP 11 12.275 5.439 -12.422 1665 HA ASP 11 HA ASP 11 11.484 3.440 -14.362 1666 1HB ASP 11 2HB ASP 11 12.647 4.885 -15.987 1667 2HB ASP 11 1HB ASP 11 11.485 5.789 -15.021 1668 H LEU 12 H LEU 12 13.014 2.241 -12.423 1669 HA LEU 12 HA LEU 12 15.735 2.035 -13.428 1670 1HB LEU 12 2HB LEU 12 14.405 0.649 -11.100 1671 2HB LEU 12 1HB LEU 12 16.116 0.602 -11.477 1672 HG LEU 12 HG LEU 12 14.575 3.077 -10.691 1673 1HD1 LEU 12 1HD1 LEU 12 16.597 1.497 -9.111 1674 2HD1 LEU 12 2HD1 LEU 12 14.852 1.425 -8.870 1675 3HD1 LEU 12 3HD1 LEU 12 15.720 2.932 -8.582 1676 1HD2 LEU 12 1HD2 LEU 12 16.345 4.290 -11.282 1677 2HD2 LEU 12 2HD2 LEU 12 16.955 2.863 -12.119 1678 3HD2 LEU 12 3HD2 LEU 12 17.454 3.192 -10.460 1679 H ASP 13 H ASP 13 13.743 1.129 -15.217 1680 HA ASP 13 HA ASP 13 13.412 -1.691 -15.070 1681 1HB ASP 13 2HB ASP 13 13.197 0.158 -17.456 1682 2HB ASP 13 1HB ASP 13 12.619 -1.504 -17.395 1683 H GLY 14 H GLY 14 14.716 -3.301 -15.718 1684 1HA GLY 14 2HA GLY 14 16.497 -3.278 -17.839 1685 2HA GLY 14 1HA GLY 14 17.412 -2.745 -16.437 1686 H LYS 15 H LYS 15 16.480 -4.291 -14.421 1687 HA LYS 15 HA LYS 15 17.763 -6.771 -14.935 1688 1HB LYS 15 2HB LYS 15 16.057 -5.929 -12.584 1689 2HB LYS 15 1HB LYS 15 17.091 -7.351 -12.633 1690 1HG LYS 15 2HG LYS 15 19.053 -5.918 -12.891 1691 2HG LYS 15 1HG LYS 15 18.015 -4.492 -12.844 1692 1HD LYS 15 2HD LYS 15 17.292 -5.094 -10.583 1693 2HD LYS 15 1HD LYS 15 18.331 -6.519 -10.633 1694 1HE LYS 15 2HE LYS 15 19.245 -3.651 -10.816 1695 2HE LYS 15 1HE LYS 15 19.385 -4.691 -9.399 1696 1HZ LYS 15 1HZ LYS 15 21.459 -4.583 -10.634 1697 2HZ LYS 15 2HZ LYS 15 20.692 -5.166 -12.024 1698 3HZ LYS 15 3HZ LYS 15 20.833 -6.155 -10.659 1699 H SER 16 H SER 16 14.385 -6.096 -13.988 1700 HA SER 16 HA SER 16 13.155 -7.664 -15.917 1701 1HB SER 16 2HB SER 16 12.554 -9.696 -14.624 1702 2HB SER 16 1HB SER 16 14.287 -9.590 -14.930 1703 HG SER 16 HG SER 16 14.183 -10.040 -12.814 1704 H HIS 17 H HIS 17 11.006 -7.294 -15.875 1705 HA HIS 17 HA HIS 17 9.010 -6.410 -15.242 1706 1HB HIS 17 2HB HIS 17 9.881 -7.400 -12.519 1707 2HB HIS 17 1HB HIS 17 8.245 -6.912 -12.946 1708 HD1 HIS 17 1HD HIS 17 8.147 -9.595 -11.991 1709 HD2 HIS 17 2HD HIS 17 9.383 -8.852 -15.888 1710 HE1 HIS 17 1HE HIS 17 7.826 -11.763 -13.222 1711 HE2 HIS 17 2HE HIS 17 8.660 -11.313 -15.557 1712 H LYS 18 H LYS 18 10.958 -4.526 -15.531 1713 HA LYS 18 HA LYS 18 11.448 -2.355 -15.068 1714 1HB LYS 18 2HB LYS 18 8.975 -2.538 -13.337 1715 2HB LYS 18 1HB LYS 18 9.776 -1.047 -13.809 1716 1HG LYS 18 2HG LYS 18 9.280 -1.511 -16.151 1717 2HG LYS 18 1HG LYS 18 8.488 -3.018 -15.686 1718 1HD LYS 18 2HD LYS 18 6.848 -1.256 -16.072 1719 2HD LYS 18 1HD LYS 18 6.852 -1.749 -14.378 1720 1HE LYS 18 2HE LYS 18 8.229 0.188 -13.814 1721 2HE LYS 18 1HE LYS 18 8.249 0.674 -15.509 1722 1HZ LYS 18 1HZ LYS 18 5.619 0.460 -15.023 1723 2HZ LYS 18 2HZ LYS 18 6.493 1.903 -14.912 1724 3HZ LYS 18 3HZ LYS 18 6.178 0.997 -13.519 Start of MODEL 3 1 1H MET 1 1HT MET 1 -21.946 -3.377 -24.341 2 2H MET 1 2HT MET 1 -21.514 -4.468 -23.088 3 3H MET 1 3HT MET 1 -20.847 -4.654 -24.659 4 HA MET 1 HA MET 1 -19.550 -2.785 -24.471 5 1HB MET 1 2HB MET 1 -21.292 -1.352 -23.518 6 2HB MET 1 1HB MET 1 -21.159 -2.189 -21.979 7 1HG MET 1 2HG MET 1 -18.863 -1.387 -21.743 8 2HG MET 1 1HG MET 1 -19.003 -0.545 -23.285 9 1HE MET 1 1HE MET 1 -18.882 2.514 -21.433 10 2HE MET 1 2HE MET 1 -17.915 1.080 -21.783 11 3HE MET 1 3HE MET 1 -18.499 1.371 -20.144 12 H CYS 2 H CYS 2 -17.532 -3.117 -23.734 13 HA CYS 2 HA CYS 2 -17.050 -4.345 -21.155 14 1HB CYS 2 2HB CYS 2 -16.220 -5.733 -23.713 15 2HB CYS 2 1HB CYS 2 -15.709 -6.201 -22.096 16 HG CYS 2 HG CYS 2 -17.724 -7.687 -22.887 17 H ASP 3 H ASP 3 -15.203 -3.614 -20.299 18 HA ASP 3 HA ASP 3 -12.817 -3.100 -21.657 19 1HB ASP 3 2HB ASP 3 -14.081 -1.260 -22.707 20 2HB ASP 3 1HB ASP 3 -14.447 -0.606 -21.114 21 H ARG 4 H ARG 4 -13.484 -4.358 -19.313 22 HA ARG 4 HA ARG 4 -11.655 -3.280 -17.482 23 1HB ARG 4 2HB ARG 4 -13.362 -1.580 -17.116 24 2HB ARG 4 1HB ARG 4 -14.550 -2.826 -16.763 25 1HG ARG 4 2HG ARG 4 -13.592 -3.341 -14.719 26 2HG ARG 4 1HG ARG 4 -12.042 -2.615 -15.152 27 1HD ARG 4 2HD ARG 4 -13.280 -1.231 -13.554 28 2HD ARG 4 1HD ARG 4 -13.022 -0.409 -15.090 29 HE ARG 4 HE ARG 4 -15.278 -0.241 -15.286 30 1HH1 ARG 4 1HH1 ARG 4 -14.596 -2.932 -13.172 31 2HH1 ARG 4 2HH1 ARG 4 -16.264 -3.293 -12.886 32 1HH2 ARG 4 1HH2 ARG 4 -17.471 -0.708 -14.904 33 2HH2 ARG 4 2HH2 ARG 4 -17.896 -2.030 -13.867 34 H LYS 5 H LYS 5 -10.910 -4.999 -16.416 35 HA LYS 5 HA LYS 5 -12.365 -7.476 -16.460 36 1HB LYS 5 2HB LYS 5 -9.874 -7.276 -16.742 37 2HB LYS 5 1HB LYS 5 -9.775 -6.874 -15.031 38 1HG LYS 5 2HG LYS 5 -9.260 -9.203 -15.362 39 2HG LYS 5 1HG LYS 5 -10.782 -9.044 -14.483 40 1HD LYS 5 2HD LYS 5 -12.026 -9.430 -16.546 41 2HD LYS 5 1HD LYS 5 -10.513 -9.556 -17.444 42 1HE LYS 5 2HE LYS 5 -11.440 -11.388 -15.236 43 2HE LYS 5 1HE LYS 5 -11.417 -11.761 -16.958 44 1HZ LYS 5 1HZ LYS 5 -9.511 -12.713 -15.835 45 2HZ LYS 5 2HZ LYS 5 -9.036 -11.188 -15.277 46 3HZ LYS 5 3HZ LYS 5 -9.008 -11.529 -16.935 47 H ALA 6 H ALA 6 -10.929 -5.609 -13.799 48 HA ALA 6 HA ALA 6 -11.494 -5.381 -11.607 49 1HB ALA 6 1HB ALA 6 -13.376 -4.192 -12.337 50 2HB ALA 6 2HB ALA 6 -13.991 -5.341 -11.150 51 3HB ALA 6 3HB ALA 6 -14.199 -5.655 -12.873 52 H VAL 7 H VAL 7 -10.459 -7.831 -11.941 53 HA VAL 7 HA VAL 7 -12.306 -9.842 -10.986 54 HB VAL 7 HB VAL 7 -10.265 -11.290 -10.922 55 1HG1 VAL 7 1HG1 VAL 7 -11.713 -10.259 -13.176 56 2HG1 VAL 7 2HG1 VAL 7 -11.142 -11.898 -12.867 57 3HG1 VAL 7 3HG1 VAL 7 -10.080 -10.728 -13.649 58 1HG2 VAL 7 1HG2 VAL 7 -8.947 -9.085 -12.473 59 2HG2 VAL 7 2HG2 VAL 7 -8.229 -10.579 -11.870 60 3HG2 VAL 7 3HG2 VAL 7 -8.700 -9.309 -10.741 61 H ILE 8 H ILE 8 -12.439 -10.671 -8.998 62 HA ILE 8 HA ILE 8 -11.247 -9.190 -6.826 63 HB ILE 8 HB ILE 8 -13.125 -11.556 -6.828 64 1HG1 ILE 8 2HG1 ILE 8 -14.760 -9.883 -5.999 65 2HG1 ILE 8 1HG1 ILE 8 -13.545 -8.626 -6.196 66 1HG2 ILE 8 1HG2 ILE 8 -11.722 -11.593 -4.825 67 2HG2 ILE 8 2HG2 ILE 8 -13.396 -11.201 -4.438 68 3HG2 ILE 8 3HG2 ILE 8 -12.179 -9.925 -4.476 69 1HD1 ILE 8 1HD1 ILE 8 -13.629 -8.744 -8.515 70 2HD1 ILE 8 2HD1 ILE 8 -15.312 -8.900 -8.014 71 3HD1 ILE 8 3HD1 ILE 8 -14.401 -10.329 -8.501 72 H LYS 9 H LYS 9 -9.637 -9.838 -5.489 73 HA LYS 9 HA LYS 9 -8.367 -12.422 -6.114 74 1HB LYS 9 2HB LYS 9 -7.052 -10.397 -6.748 75 2HB LYS 9 1HB LYS 9 -7.018 -9.937 -5.052 76 1HG LYS 9 2HG LYS 9 -4.945 -11.008 -5.691 77 2HG LYS 9 1HG LYS 9 -5.814 -11.998 -4.518 78 1HD LYS 9 2HD LYS 9 -6.652 -13.411 -6.333 79 2HD LYS 9 1HD LYS 9 -5.792 -12.416 -7.509 80 1HE LYS 9 2HE LYS 9 -3.665 -13.021 -6.459 81 2HE LYS 9 1HE LYS 9 -4.526 -14.011 -5.280 82 1HZ LYS 9 1HZ LYS 9 -5.058 -14.591 -8.080 83 2HZ LYS 9 2HZ LYS 9 -4.869 -15.647 -6.773 84 3HZ LYS 9 3HZ LYS 9 -3.508 -14.981 -7.524 85 H ASN 10 H ASN 10 -9.406 -10.235 -3.575 86 HA ASN 10 HA ASN 10 -9.403 -12.424 -1.687 87 1HB ASN 10 2HB ASN 10 -7.723 -9.962 -1.170 88 2HB ASN 10 1HB ASN 10 -8.052 -11.235 0.001 89 1HD2 ASN 10 1HD2 ASN 10 -5.803 -10.102 -2.041 90 2HD2 ASN 10 2HD2 ASN 10 -4.935 -11.557 -2.383 91 H ALA 11 H ALA 11 -11.624 -11.301 -2.597 92 HA ALA 11 HA ALA 11 -12.599 -8.987 -1.395 93 1HB ALA 11 1HB ALA 11 -13.999 -9.758 -3.037 94 2HB ALA 11 2HB ALA 11 -14.867 -10.304 -1.601 95 3HB ALA 11 3HB ALA 11 -13.868 -11.437 -2.513 96 H ASP 12 H ASP 12 -13.780 -8.582 0.491 97 HA ASP 12 HA ASP 12 -14.401 -10.614 2.386 98 1HB ASP 12 2HB ASP 12 -11.938 -10.519 2.662 99 2HB ASP 12 1HB ASP 12 -12.071 -8.811 3.070 100 H MET 13 H MET 13 -16.324 -9.245 1.817 101 HA MET 13 HA MET 13 -16.777 -7.370 3.957 102 1HB MET 13 2HB MET 13 -16.889 -6.445 1.082 103 2HB MET 13 1HB MET 13 -17.558 -5.551 2.437 104 1HG MET 13 2HG MET 13 -15.317 -5.405 3.428 105 2HG MET 13 1HG MET 13 -14.662 -6.249 2.026 106 1HE MET 13 1HE MET 13 -13.091 -4.275 2.401 107 2HE MET 13 2HE MET 13 -13.874 -2.811 3.000 108 3HE MET 13 3HE MET 13 -13.206 -2.849 1.369 109 H SER 14 H SER 14 -19.138 -6.211 3.054 110 HA SER 14 HA SER 14 -20.894 -8.514 3.153 111 1HB SER 14 2HB SER 14 -22.674 -6.854 3.570 112 2HB SER 14 1HB SER 14 -21.318 -6.663 4.680 113 HG SER 14 HG SER 14 -22.265 -4.726 3.510 114 H GLU 15 H GLU 15 -19.576 -8.225 0.658 115 HA GLU 15 HA GLU 15 -20.032 -8.399 -1.560 116 1HB GLU 15 2HB GLU 15 -22.911 -8.319 -0.663 117 2HB GLU 15 1HB GLU 15 -22.359 -8.771 -2.268 118 1HG GLU 15 2HG GLU 15 -21.156 -10.675 -1.321 119 2HG GLU 15 1HG GLU 15 -21.713 -10.222 0.289 120 H GLU 16 H GLU 16 -22.476 -6.166 -0.254 121 HA GLU 16 HA GLU 16 -22.601 -4.507 -2.490 122 1HB GLU 16 2HB GLU 16 -23.619 -2.845 -0.989 123 2HB GLU 16 1HB GLU 16 -24.291 -4.451 -0.737 124 1HG GLU 16 2HG GLU 16 -22.878 -4.735 1.233 125 2HG GLU 16 1HG GLU 16 -22.202 -3.127 0.981 126 H MET 17 H MET 17 -20.476 -4.387 0.330 127 HA MET 17 HA MET 17 -19.350 -1.872 -0.144 128 1HB MET 17 2HB MET 17 -18.029 -4.282 1.102 129 2HB MET 17 1HB MET 17 -17.489 -2.616 1.259 130 1HG MET 17 2HG MET 17 -19.567 -2.052 2.409 131 2HG MET 17 1HG MET 17 -20.098 -3.725 2.266 132 1HE MET 17 1HE MET 17 -19.630 -2.118 5.412 133 2HE MET 17 2HE MET 17 -19.548 -3.794 5.958 134 3HE MET 17 3HE MET 17 -20.644 -3.345 4.651 135 H GLN 18 H GLN 18 -18.164 -5.075 -1.133 136 HA GLN 18 HA GLN 18 -15.927 -4.142 -2.533 137 1HB GLN 18 2HB GLN 18 -16.073 -6.357 -3.754 138 2HB GLN 18 1HB GLN 18 -15.960 -6.438 -2.003 139 1HG GLN 18 2HG GLN 18 -18.408 -6.751 -1.905 140 2HG GLN 18 1HG GLN 18 -18.440 -6.786 -3.667 141 1HE2 GLN 18 1HE2 GLN 18 -18.222 -8.605 -0.902 142 2HE2 GLN 18 2HE2 GLN 18 -17.639 -10.075 -1.587 143 H GLN 19 H GLN 19 -19.255 -4.659 -3.581 144 HA GLN 19 HA GLN 19 -18.802 -4.188 -6.331 145 1HB GLN 19 2HB GLN 19 -21.297 -3.779 -4.671 146 2HB GLN 19 1HB GLN 19 -21.248 -3.718 -6.428 147 1HG GLN 19 2HG GLN 19 -20.555 -6.112 -4.740 148 2HG GLN 19 1HG GLN 19 -22.074 -5.861 -5.598 149 1HE2 GLN 19 1HE2 GLN 19 -22.210 -6.917 -7.430 150 2HE2 GLN 19 2HE2 GLN 19 -20.901 -7.323 -8.480 151 H ASP 20 H ASP 20 -19.635 -2.070 -3.639 152 HA ASP 20 HA ASP 20 -19.919 0.294 -5.178 153 1HB ASP 20 2HB ASP 20 -20.854 0.077 -2.909 154 2HB ASP 20 1HB ASP 20 -19.225 -0.019 -2.246 155 H SER 21 H SER 21 -17.193 -1.261 -3.604 156 HA SER 21 HA SER 21 -15.376 0.894 -3.932 157 1HB SER 21 2HB SER 21 -14.827 -2.073 -3.650 158 2HB SER 21 1HB SER 21 -13.623 -0.795 -3.487 159 HG SER 21 HG SER 21 -15.189 -1.766 -1.613 160 H VAL 22 H VAL 22 -16.122 -1.985 -5.845 161 HA VAL 22 HA VAL 22 -14.181 -1.560 -7.849 162 HB VAL 22 HB VAL 22 -16.831 -2.997 -8.080 163 1HG1 VAL 22 1HG1 VAL 22 -16.291 -3.598 -10.157 164 2HG1 VAL 22 2HG1 VAL 22 -14.631 -3.981 -9.701 165 3HG1 VAL 22 3HG1 VAL 22 -15.073 -2.322 -10.101 166 1HG2 VAL 22 1HG2 VAL 22 -14.857 -3.635 -6.353 167 2HG2 VAL 22 2HG2 VAL 22 -14.334 -4.527 -7.781 168 3HG2 VAL 22 3HG2 VAL 22 -15.936 -4.816 -7.099 169 H GLU 23 H GLU 23 -17.606 -0.697 -7.632 170 HA GLU 23 HA GLU 23 -17.746 0.578 -10.152 171 1HB GLU 23 2HB GLU 23 -19.746 -0.206 -8.980 172 2HB GLU 23 1HB GLU 23 -19.449 0.938 -7.678 173 1HG GLU 23 2HG GLU 23 -19.771 2.788 -9.231 174 2HG GLU 23 1HG GLU 23 -20.073 1.641 -10.534 175 H CYS 24 H CYS 24 -17.145 1.711 -6.873 176 HA CYS 24 HA CYS 24 -17.035 4.468 -7.479 177 1HB CYS 24 2HB CYS 24 -17.342 3.622 -5.190 178 2HB CYS 24 1HB CYS 24 -15.713 2.955 -5.217 179 HG CYS 24 HG CYS 24 -14.850 5.475 -5.368 180 H ALA 25 H ALA 25 -14.608 1.917 -7.456 181 HA ALA 25 HA ALA 25 -12.358 3.603 -7.810 182 1HB ALA 25 1HB ALA 25 -11.142 1.597 -8.339 183 2HB ALA 25 2HB ALA 25 -12.637 0.720 -8.659 184 3HB ALA 25 3HB ALA 25 -12.253 1.236 -7.017 185 H THR 26 H THR 26 -14.610 1.979 -9.941 186 HA THR 26 HA THR 26 -13.305 2.417 -12.367 187 HB THR 26 HB THR 26 -16.269 2.260 -11.810 188 HG1 THR 26 1HG THR 26 -14.353 0.278 -12.462 189 1HG2 THR 26 1HG2 THR 26 -16.317 2.943 -13.981 190 2HG2 THR 26 2HG2 THR 26 -16.134 1.203 -14.205 191 3HG2 THR 26 3HG2 THR 26 -14.731 2.263 -14.349 192 H GLN 27 H GLN 27 -15.622 4.366 -10.570 193 HA GLN 27 HA GLN 27 -15.979 6.438 -12.410 194 1HB GLN 27 2HB GLN 27 -17.305 6.062 -10.306 195 2HB GLN 27 1HB GLN 27 -15.932 6.683 -9.395 196 1HG GLN 27 2HG GLN 27 -16.129 8.819 -10.555 197 2HG GLN 27 1HG GLN 27 -17.513 8.201 -11.454 198 1HE2 GLN 27 1HE2 GLN 27 -19.376 8.868 -10.694 199 2HE2 GLN 27 2HE2 GLN 27 -19.749 9.203 -9.041 200 H ALA 28 H ALA 28 -13.648 6.029 -9.783 201 HA ALA 28 HA ALA 28 -12.337 8.467 -9.933 202 1HB ALA 28 1HB ALA 28 -11.528 5.735 -9.066 203 2HB ALA 28 2HB ALA 28 -11.685 7.217 -8.124 204 3HB ALA 28 3HB ALA 28 -10.302 6.993 -9.194 205 H LEU 29 H LEU 29 -11.740 5.492 -11.768 206 HA LEU 29 HA LEU 29 -9.472 6.358 -13.146 207 1HB LEU 29 2HB LEU 29 -11.595 4.349 -13.825 208 2HB LEU 29 1HB LEU 29 -10.224 4.643 -14.879 209 HG LEU 29 HG LEU 29 -9.903 3.865 -11.996 210 1HD1 LEU 29 1HD1 LEU 29 -11.156 2.103 -13.129 211 2HD1 LEU 29 2HD1 LEU 29 -9.507 1.578 -12.786 212 3HD1 LEU 29 3HD1 LEU 29 -9.955 2.069 -14.419 213 1HD2 LEU 29 1HD2 LEU 29 -8.045 3.766 -14.366 214 2HD2 LEU 29 2HD2 LEU 29 -7.664 3.210 -12.738 215 3HD2 LEU 29 3HD2 LEU 29 -7.975 4.921 -13.035 216 H GLU 30 H GLU 30 -12.886 6.472 -14.069 217 HA GLU 30 HA GLU 30 -12.470 7.733 -16.568 218 1HB GLU 30 2HB GLU 30 -14.938 7.684 -14.821 219 2HB GLU 30 1HB GLU 30 -14.896 8.176 -16.509 220 1HG GLU 30 2HG GLU 30 -14.184 5.929 -17.148 221 2HG GLU 30 1HG GLU 30 -14.229 5.436 -15.455 222 H LYS 31 H LYS 31 -12.941 8.952 -13.318 223 HA LYS 31 HA LYS 31 -13.354 11.661 -14.143 224 1HB LYS 31 2HB LYS 31 -12.780 10.445 -11.443 225 2HB LYS 31 1HB LYS 31 -13.066 12.161 -11.698 226 1HG LYS 31 2HG LYS 31 -15.294 11.637 -12.595 227 2HG LYS 31 1HG LYS 31 -15.004 9.928 -12.269 228 1HD LYS 31 2HD LYS 31 -16.326 10.895 -10.484 229 2HD LYS 31 1HD LYS 31 -14.727 10.458 -9.877 230 1HE LYS 31 2HE LYS 31 -14.009 12.785 -10.090 231 2HE LYS 31 1HE LYS 31 -15.599 13.223 -10.710 232 1HZ LYS 31 1HZ LYS 31 -15.561 11.847 -8.150 233 2HZ LYS 31 2HZ LYS 31 -16.514 13.145 -8.668 234 3HZ LYS 31 3HZ LYS 31 -14.925 13.415 -8.152 235 H TYR 32 H TYR 32 -10.592 9.705 -13.210 236 HA TYR 32 HA TYR 32 -8.904 11.981 -13.928 237 1HB TYR 32 2HB TYR 32 -8.309 10.260 -11.524 238 2HB TYR 32 1HB TYR 32 -7.461 11.715 -12.035 239 HD1 TYR 32 1HD TYR 32 -10.857 10.579 -10.970 240 HD2 TYR 32 2HD TYR 32 -8.004 13.737 -11.036 241 HE1 TYR 32 1HE TYR 32 -12.323 11.924 -9.520 242 HE2 TYR 32 2HE TYR 32 -9.464 15.091 -9.592 243 HH TYR 32 HH TYR 32 -11.802 15.257 -8.972 244 H ASN 33 H ASN 33 -8.871 8.521 -13.095 245 HA ASN 33 HA ASN 33 -7.958 6.739 -14.200 246 1HB ASN 33 2HB ASN 33 -8.428 7.912 -16.333 247 2HB ASN 33 1HB ASN 33 -6.879 8.736 -16.200 248 1HD2 ASN 33 1HD2 ASN 33 -5.371 7.891 -17.415 249 2HD2 ASN 33 2HD2 ASN 33 -5.200 6.221 -17.824 250 H ILE 34 H ILE 34 -6.723 7.784 -12.005 251 HA ILE 34 HA ILE 34 -3.903 7.204 -12.595 252 HB ILE 34 HB ILE 34 -4.839 9.427 -10.771 253 1HG1 ILE 34 2HG1 ILE 34 -3.426 10.838 -12.326 254 2HG1 ILE 34 1HG1 ILE 34 -3.345 9.444 -13.399 255 1HG2 ILE 34 1HG2 ILE 34 -2.484 7.848 -10.657 256 2HG2 ILE 34 2HG2 ILE 34 -2.919 9.247 -9.677 257 3HG2 ILE 34 3HG2 ILE 34 -2.029 9.469 -11.183 258 1HD1 ILE 34 1HD1 ILE 34 -5.308 9.940 -14.275 259 2HD1 ILE 34 2HD1 ILE 34 -5.283 11.437 -13.346 260 3HD1 ILE 34 3HD1 ILE 34 -6.068 10.004 -12.684 261 H GLU 35 H GLU 35 -3.069 5.700 -11.279 262 HA GLU 35 HA GLU 35 -4.579 4.169 -9.565 263 1HB GLU 35 2HB GLU 35 -2.452 3.269 -8.710 264 2HB GLU 35 1HB GLU 35 -2.462 3.402 -10.464 265 1HG GLU 35 2HG GLU 35 -1.163 5.474 -10.304 266 2HG GLU 35 1HG GLU 35 -1.133 5.307 -8.550 267 H LYS 36 H LYS 36 -2.403 6.844 -8.674 268 HA LYS 36 HA LYS 36 -2.794 6.611 -5.887 269 1HB LYS 36 2HB LYS 36 -0.920 7.846 -6.938 270 2HB LYS 36 1HB LYS 36 -2.057 9.078 -7.464 271 1HG LYS 36 2HG LYS 36 -2.653 9.273 -4.960 272 2HG LYS 36 1HG LYS 36 -1.121 8.436 -4.700 273 1HD LYS 36 2HD LYS 36 -0.660 10.762 -4.577 274 2HD LYS 36 1HD LYS 36 -0.039 10.201 -6.130 275 1HE LYS 36 2HE LYS 36 -1.201 12.298 -6.434 276 2HE LYS 36 1HE LYS 36 -2.106 11.001 -7.213 277 1HZ LYS 36 1HZ LYS 36 -3.503 12.557 -5.930 278 2HZ LYS 36 2HZ LYS 36 -2.717 12.071 -4.514 279 3HZ LYS 36 3HZ LYS 36 -3.635 10.957 -5.396 280 H ASP 37 H ASP 37 -4.195 8.914 -8.220 281 HA ASP 37 HA ASP 37 -5.849 10.277 -6.473 282 1HB ASP 37 2HB ASP 37 -6.260 9.675 -9.406 283 2HB ASP 37 1HB ASP 37 -7.211 10.838 -8.489 284 H ILE 38 H ILE 38 -6.523 7.278 -8.250 285 HA ILE 38 HA ILE 38 -9.221 6.988 -7.689 286 HB ILE 38 HB ILE 38 -7.090 4.851 -7.847 287 1HG1 ILE 38 2HG1 ILE 38 -9.164 5.604 -9.903 288 2HG1 ILE 38 1HG1 ILE 38 -7.563 6.329 -9.868 289 1HG2 ILE 38 1HG2 ILE 38 -9.996 4.670 -7.349 290 2HG2 ILE 38 2HG2 ILE 38 -8.692 3.578 -6.883 291 3HG2 ILE 38 3HG2 ILE 38 -9.325 3.541 -8.528 292 1HD1 ILE 38 1HD1 ILE 38 -6.932 3.704 -9.807 293 2HD1 ILE 38 2HD1 ILE 38 -7.062 4.664 -11.279 294 3HD1 ILE 38 3HD1 ILE 38 -8.421 3.670 -10.751 295 H ALA 39 H ALA 39 -6.427 6.149 -5.708 296 HA ALA 39 HA ALA 39 -7.778 4.889 -3.607 297 1HB ALA 39 1HB ALA 39 -5.521 6.282 -2.579 298 2HB ALA 39 2HB ALA 39 -5.127 5.697 -4.195 299 3HB ALA 39 3HB ALA 39 -5.679 4.567 -2.959 300 H ALA 40 H ALA 40 -7.054 8.299 -4.197 301 HA ALA 40 HA ALA 40 -7.909 9.234 -1.659 302 1HB ALA 40 1HB ALA 40 -7.952 10.901 -4.146 303 2HB ALA 40 2HB ALA 40 -6.435 10.410 -3.391 304 3HB ALA 40 3HB ALA 40 -7.594 11.387 -2.489 305 H HIS 41 H HIS 41 -9.546 9.109 -4.819 306 HA HIS 41 HA HIS 41 -11.921 10.366 -4.039 307 1HB HIS 41 2HB HIS 41 -11.740 8.186 -6.112 308 2HB HIS 41 1HB HIS 41 -12.872 9.536 -6.053 309 HD1 HIS 41 1HD HIS 41 -11.133 11.933 -5.797 310 HD2 HIS 41 2HD HIS 41 -10.102 8.691 -8.176 311 HE1 HIS 41 1HE HIS 41 -9.481 12.827 -7.468 312 HE2 HIS 41 2HE HIS 41 -8.964 10.870 -8.968 313 H ILE 42 H ILE 42 -11.186 6.891 -4.266 314 HA ILE 42 HA ILE 42 -13.663 5.960 -3.366 315 HB ILE 42 HB ILE 42 -10.964 4.633 -3.095 316 1HG1 ILE 42 2HG1 ILE 42 -13.077 4.406 -5.247 317 2HG1 ILE 42 1HG1 ILE 42 -11.532 5.232 -5.412 318 1HG2 ILE 42 1HG2 ILE 42 -12.765 2.621 -3.358 319 2HG2 ILE 42 2HG2 ILE 42 -13.687 3.782 -2.403 320 3HG2 ILE 42 3HG2 ILE 42 -12.130 3.197 -1.817 321 1HD1 ILE 42 1HD1 ILE 42 -12.140 2.330 -5.366 322 2HD1 ILE 42 2HD1 ILE 42 -10.590 2.872 -4.721 323 3HD1 ILE 42 3HD1 ILE 42 -11.029 3.242 -6.388 324 H LYS 43 H LYS 43 -10.702 6.692 -1.540 325 HA LYS 43 HA LYS 43 -11.528 5.726 0.938 326 1HB LYS 43 2HB LYS 43 -9.226 6.410 0.467 327 2HB LYS 43 1HB LYS 43 -9.737 8.088 0.358 328 1HG LYS 43 2HG LYS 43 -10.377 8.064 2.705 329 2HG LYS 43 1HG LYS 43 -9.909 6.367 2.823 330 1HD LYS 43 2HD LYS 43 -7.603 6.974 2.254 331 2HD LYS 43 1HD LYS 43 -8.079 8.669 2.152 332 1HE LYS 43 2HE LYS 43 -8.236 6.929 4.611 333 2HE LYS 43 1HE LYS 43 -7.020 8.166 4.298 334 1HZ LYS 43 1HZ LYS 43 -8.572 9.212 5.651 335 2HZ LYS 43 2HZ LYS 43 -9.897 8.516 4.863 336 3HZ LYS 43 3HZ LYS 43 -9.006 9.734 4.101 337 H LYS 44 H LYS 44 -11.810 9.050 -0.323 338 HA LYS 44 HA LYS 44 -13.080 10.144 1.905 339 1HB LYS 44 2HB LYS 44 -13.324 10.951 -0.995 340 2HB LYS 44 1HB LYS 44 -13.827 11.935 0.372 341 1HG LYS 44 2HG LYS 44 -11.521 12.019 1.167 342 2HG LYS 44 1HG LYS 44 -11.014 11.029 -0.203 343 1HD LYS 44 2HD LYS 44 -11.783 12.768 -1.744 344 2HD LYS 44 1HD LYS 44 -12.296 13.756 -0.375 345 1HE LYS 44 2HE LYS 44 -9.473 12.868 -0.958 346 2HE LYS 44 1HE LYS 44 -10.126 14.481 -1.242 347 1HZ LYS 44 1HZ LYS 44 -9.759 13.138 1.379 348 2HZ LYS 44 2HZ LYS 44 -10.580 14.603 1.179 349 3HZ LYS 44 3HZ LYS 44 -8.934 14.499 0.803 350 H GLU 45 H GLU 45 -14.541 8.774 -1.040 351 HA GLU 45 HA GLU 45 -17.198 9.319 -0.437 352 1HB GLU 45 2HB GLU 45 -16.029 6.972 -1.941 353 2HB GLU 45 1HB GLU 45 -17.738 7.390 -1.924 354 1HG GLU 45 2HG GLU 45 -15.511 9.129 -2.963 355 2HG GLU 45 1HG GLU 45 -16.628 8.183 -3.943 356 H PHE 46 H PHE 46 -15.299 6.422 0.381 357 HA PHE 46 HA PHE 46 -17.443 5.169 1.770 358 1HB PHE 46 2HB PHE 46 -14.487 4.635 1.669 359 2HB PHE 46 1HB PHE 46 -15.586 3.676 2.653 360 HD1 PHE 46 1HD PHE 46 -15.573 5.007 -0.846 361 HD2 PHE 46 2HD PHE 46 -16.159 1.674 1.726 362 HE1 PHE 46 1HE PHE 46 -16.103 3.605 -2.793 363 HE2 PHE 46 2HE PHE 46 -16.689 0.261 -0.215 364 HZ PHE 46 HZ PHE 46 -16.664 1.228 -2.479 365 H ASP 47 H ASP 47 -14.695 7.137 2.804 366 HA ASP 47 HA ASP 47 -14.976 6.783 5.562 367 1HB ASP 47 2HB ASP 47 -14.005 9.191 4.012 368 2HB ASP 47 1HB ASP 47 -13.854 9.015 5.758 369 H LYS 48 H LYS 48 -16.665 8.892 3.326 370 HA LYS 48 HA LYS 48 -18.072 10.300 5.398 371 1HB LYS 48 2HB LYS 48 -17.553 11.462 3.348 372 2HB LYS 48 1HB LYS 48 -18.375 10.239 2.397 373 1HG LYS 48 2HG LYS 48 -19.696 12.270 2.595 374 2HG LYS 48 1HG LYS 48 -20.501 10.887 3.335 375 1HD LYS 48 2HD LYS 48 -20.799 12.715 4.817 376 2HD LYS 48 1HD LYS 48 -19.576 11.673 5.545 377 1HE LYS 48 2HE LYS 48 -18.946 14.114 3.892 378 2HE LYS 48 1HE LYS 48 -19.076 14.125 5.648 379 1HZ LYS 48 1HZ LYS 48 -17.353 12.097 5.186 380 2HZ LYS 48 2HZ LYS 48 -16.907 13.675 5.595 381 3HZ LYS 48 3HZ LYS 48 -16.931 13.197 3.972 382 H LYS 49 H LYS 49 -18.788 7.707 3.120 383 HA LYS 49 HA LYS 49 -21.549 7.538 3.899 384 1HB LYS 49 2HB LYS 49 -19.860 5.722 2.189 385 2HB LYS 49 1HB LYS 49 -21.598 5.567 2.403 386 1HG LYS 49 2HG LYS 49 -21.925 7.760 1.391 387 2HG LYS 49 1HG LYS 49 -20.180 7.934 1.196 388 1HD LYS 49 2HD LYS 49 -21.230 7.227 -0.891 389 2HD LYS 49 1HD LYS 49 -20.147 5.979 -0.272 390 1HE LYS 49 2HE LYS 49 -22.229 5.009 -1.091 391 2HE LYS 49 1HE LYS 49 -22.057 4.769 0.646 392 1HZ LYS 49 1HZ LYS 49 -23.553 6.628 1.017 393 2HZ LYS 49 2HZ LYS 49 -24.299 5.449 0.060 394 3HZ LYS 49 3HZ LYS 49 -23.713 6.867 -0.651 395 H TYR 50 H TYR 50 -18.902 5.176 4.063 396 HA TYR 50 HA TYR 50 -20.366 3.634 6.019 397 1HB TYR 50 2HB TYR 50 -17.678 3.176 4.725 398 2HB TYR 50 1HB TYR 50 -18.451 2.053 5.840 399 HD1 TYR 50 1HD TYR 50 -19.318 3.940 2.727 400 HD2 TYR 50 2HD TYR 50 -19.608 0.295 4.899 401 HE1 TYR 50 1HE TYR 50 -20.556 2.938 0.859 402 HE2 TYR 50 2HE TYR 50 -20.844 -0.723 3.032 403 HH TYR 50 HH TYR 50 -20.948 -0.239 0.410 404 H ASN 51 H ASN 51 -17.885 6.009 6.065 405 HA ASN 51 HA ASN 51 -17.181 7.166 7.968 406 1HB ASN 51 2HB ASN 51 -18.856 5.981 9.396 407 2HB ASN 51 1HB ASN 51 -17.716 4.651 9.561 408 1HD2 ASN 51 1HD2 ASN 51 -18.870 7.293 11.056 409 2HD2 ASN 51 2HD2 ASN 51 -17.524 7.679 12.070 410 HA PRO 52 HA PRO 52 -13.007 5.943 7.275 411 1HB PRO 52 2HB PRO 52 -11.893 7.162 9.519 412 2HB PRO 52 1HB PRO 52 -12.184 7.946 7.964 413 1HG PRO 52 2HG PRO 52 -13.843 7.986 10.448 414 2HG PRO 52 1HG PRO 52 -13.498 9.299 9.306 415 1HD PRO 52 2HD PRO 52 -15.847 8.038 9.267 416 2HD PRO 52 1HD PRO 52 -15.049 8.522 7.756 417 H THR 53 H THR 53 -11.551 3.680 9.646 418 HA THR 53 HA THR 53 -11.173 5.822 7.666 419 HB THR 53 HB THR 53 -9.807 6.057 9.708 420 HG1 THR 53 1HG THR 53 -9.000 6.643 7.566 421 1HG2 THR 53 1HG2 THR 53 -7.921 3.955 9.115 422 2HG2 THR 53 2HG2 THR 53 -9.497 3.315 9.579 423 3HG2 THR 53 3HG2 THR 53 -8.645 4.427 10.651 424 H TRP 54 H TRP 54 -11.112 5.098 5.653 425 HA TRP 54 HA TRP 54 -10.396 2.327 5.127 426 1HB TRP 54 2HB TRP 54 -11.500 4.446 3.285 427 2HB TRP 54 1HB TRP 54 -11.248 2.753 2.864 428 HD1 TRP 54 HD TRP 54 -13.119 4.633 5.692 429 HE1 TRP 54 1HE TRP 54 -15.380 3.473 6.045 430 HE3 TRP 54 3HE TRP 54 -12.627 0.883 2.256 431 HZ2 TRP 54 2HZ TRP 54 -16.770 1.225 5.019 432 HZ3 TRP 54 3HZ TRP 54 -14.465 -0.741 2.014 433 HH2 TRP 54 HH TRP 54 -16.489 -0.573 3.368 434 H HIS 55 H HIS 55 -8.576 1.671 4.260 435 HA HIS 55 HA HIS 55 -6.613 3.671 3.417 436 1HB HIS 55 2HB HIS 55 -6.157 0.720 3.883 437 2HB HIS 55 1HB HIS 55 -4.946 1.998 3.803 438 HD1 HIS 55 1HD HIS 55 -5.764 4.003 5.786 439 HD2 HIS 55 2HD HIS 55 -6.402 -0.043 6.453 440 HE1 HIS 55 1HE HIS 55 -5.939 3.756 8.278 441 HE2 HIS 55 2HE HIS 55 -6.146 1.277 8.662 442 H CYS 56 H CYS 56 -5.884 3.772 1.321 443 HA CYS 56 HA CYS 56 -6.986 1.766 -0.540 444 1HB CYS 56 2HB CYS 56 -6.684 4.736 -1.005 445 2HB CYS 56 1HB CYS 56 -7.208 3.570 -2.217 446 HG CYS 56 HG CYS 56 -9.278 4.755 -1.100 447 H ILE 57 H ILE 57 -5.794 1.183 -2.323 448 HA ILE 57 HA ILE 57 -3.131 2.259 -2.736 449 HB ILE 57 HB ILE 57 -3.550 -0.649 -2.028 450 1HG1 ILE 57 2HG1 ILE 57 -2.052 1.552 -0.593 451 2HG1 ILE 57 1HG1 ILE 57 -3.549 0.799 -0.058 452 1HG2 ILE 57 1HG2 ILE 57 -0.837 -0.176 -2.102 453 2HG2 ILE 57 2HG2 ILE 57 -1.445 0.727 -3.489 454 3HG2 ILE 57 3HG2 ILE 57 -1.782 -0.997 -3.346 455 1HD1 ILE 57 1HD1 ILE 57 -1.618 -0.043 1.161 456 2HD1 ILE 57 2HD1 ILE 57 -0.898 -0.591 -0.352 457 3HD1 ILE 57 3HD1 ILE 57 -2.397 -1.319 0.226 458 H VAL 58 H VAL 58 -2.372 1.896 -4.826 459 HA VAL 58 HA VAL 58 -3.714 0.033 -6.580 460 HB VAL 58 HB VAL 58 -3.898 2.996 -7.157 461 1HG1 VAL 58 1HG1 VAL 58 -5.207 2.330 -9.111 462 2HG1 VAL 58 2HG1 VAL 58 -4.933 0.631 -8.718 463 3HG1 VAL 58 3HG1 VAL 58 -3.576 1.662 -9.173 464 1HG2 VAL 58 1HG2 VAL 58 -5.506 2.467 -5.478 465 2HG2 VAL 58 2HG2 VAL 58 -5.996 1.002 -6.326 466 3HG2 VAL 58 3HG2 VAL 58 -6.365 2.583 -7.013 467 H GLY 59 H GLY 59 -2.392 -0.625 -8.192 468 1HA GLY 59 2HA GLY 59 -0.402 0.973 -9.405 469 2HA GLY 59 1HA GLY 59 0.333 -0.012 -8.149 470 H ARG 60 H ARG 60 1.472 -1.469 -9.284 471 HA ARG 60 HA ARG 60 0.204 -3.669 -10.473 472 1HB ARG 60 2HB ARG 60 0.948 -3.327 -12.837 473 2HB ARG 60 1HB ARG 60 -0.344 -2.249 -12.325 474 1HG ARG 60 2HG ARG 60 1.160 -0.418 -12.108 475 2HG ARG 60 1HG ARG 60 2.559 -1.470 -12.330 476 1HD ARG 60 2HD ARG 60 0.425 -0.981 -14.404 477 2HD ARG 60 1HD ARG 60 1.982 -0.153 -14.351 478 HE ARG 60 HE ARG 60 1.479 -2.733 -15.393 479 1HH1 ARG 60 1HH1 ARG 60 3.867 -0.895 -13.633 480 2HH1 ARG 60 2HH1 ARG 60 5.185 -1.912 -14.110 481 1HH2 ARG 60 1HH2 ARG 60 3.218 -4.075 -16.021 482 2HH2 ARG 60 2HH2 ARG 60 4.817 -3.713 -15.466 483 H ASN 61 H ASN 61 2.228 -3.275 -8.609 484 HA ASN 61 HA ASN 61 4.067 -5.187 -9.053 485 1HB ASN 61 2HB ASN 61 4.863 -2.708 -10.472 486 2HB ASN 61 1HB ASN 61 6.121 -3.478 -9.511 487 1HD2 ASN 61 1HD2 ASN 61 5.090 -3.230 -12.515 488 2HD2 ASN 61 2HD2 ASN 61 5.467 -4.799 -13.130 489 H PHE 62 H PHE 62 3.488 -5.168 -6.779 490 HA PHE 62 HA PHE 62 5.467 -3.940 -5.157 491 1HB PHE 62 2HB PHE 62 4.134 -2.327 -3.951 492 2HB PHE 62 1HB PHE 62 4.083 -1.957 -5.669 493 HD1 PHE 62 1HD PHE 62 2.163 -3.644 -2.972 494 HD2 PHE 62 2HD PHE 62 2.038 -1.699 -6.756 495 HE1 PHE 62 1HE PHE 62 -0.296 -3.665 -2.898 496 HE2 PHE 62 2HE PHE 62 -0.421 -1.715 -6.686 497 HZ PHE 62 HZ PHE 62 -1.593 -2.697 -4.755 498 H GLY 63 H GLY 63 5.655 -4.888 -3.237 499 1HA GLY 63 2HA GLY 63 3.625 -6.894 -2.493 500 2HA GLY 63 1HA GLY 63 5.304 -6.895 -1.966 501 H SER 64 H SER 64 2.554 -6.790 -0.493 502 HA SER 64 HA SER 64 3.497 -4.887 1.474 503 1HB SER 64 2HB SER 64 0.843 -4.432 0.106 504 2HB SER 64 1HB SER 64 1.466 -3.518 1.479 505 HG SER 64 HG SER 64 3.367 -3.273 -0.152 506 H TYR 65 H TYR 65 2.572 -4.991 3.461 507 HA TYR 65 HA TYR 65 0.641 -7.152 3.966 508 1HB TYR 65 2HB TYR 65 3.224 -6.534 5.365 509 2HB TYR 65 1HB TYR 65 1.893 -7.251 6.266 510 HD1 TYR 65 1HD TYR 65 0.757 -9.286 4.807 511 HD2 TYR 65 2HD TYR 65 4.820 -8.039 4.688 512 HE1 TYR 65 1HE TYR 65 1.414 -11.527 4.046 513 HE2 TYR 65 2HE TYR 65 5.492 -10.278 3.925 514 HH TYR 65 HH TYR 65 4.460 -12.212 2.760 515 H VAL 66 H VAL 66 -0.973 -6.662 5.434 516 HA VAL 66 HA VAL 66 -0.864 -4.216 6.994 517 HB VAL 66 HB VAL 66 -3.004 -4.551 4.894 518 1HG1 VAL 66 1HG1 VAL 66 -2.503 -2.598 7.066 519 2HG1 VAL 66 2HG1 VAL 66 -4.023 -3.237 6.447 520 3HG1 VAL 66 3HG1 VAL 66 -3.160 -1.984 5.554 521 1HG2 VAL 66 1HG2 VAL 66 -0.558 -2.786 4.875 522 2HG2 VAL 66 2HG2 VAL 66 -1.923 -2.596 3.778 523 3HG2 VAL 66 3HG2 VAL 66 -0.959 -4.070 3.737 524 H THR 67 H THR 67 -2.815 -3.946 8.345 525 HA THR 67 HA THR 67 -4.185 -6.516 8.830 526 HB THR 67 HB THR 67 -3.422 -4.348 10.813 527 HG1 THR 67 1HG THR 67 -2.622 -7.059 10.756 528 1HG2 THR 67 1HG2 THR 67 -5.139 -6.769 11.132 529 2HG2 THR 67 2HG2 THR 67 -5.389 -5.129 11.732 530 3HG2 THR 67 3HG2 THR 67 -4.170 -6.166 12.477 531 H HIS 68 H HIS 68 -6.422 -6.340 9.573 532 HA HIS 68 HA HIS 68 -7.785 -3.823 9.430 533 1HB HIS 68 2HB HIS 68 -9.116 -4.422 7.394 534 2HB HIS 68 1HB HIS 68 -7.415 -4.091 7.068 535 HD1 HIS 68 1HD HIS 68 -9.748 -7.044 7.523 536 HD2 HIS 68 2HD HIS 68 -6.061 -6.120 5.842 537 HE1 HIS 68 1HE HIS 68 -9.025 -9.121 6.305 538 HE2 HIS 68 2HE HIS 68 -6.760 -8.562 5.355 539 H GLU 69 H GLU 69 -9.800 -3.915 10.303 540 HA GLU 69 HA GLU 69 -10.537 -6.202 11.792 541 1HB GLU 69 2HB GLU 69 -12.545 -4.979 12.372 542 2HB GLU 69 1HB GLU 69 -11.169 -3.884 12.402 543 1HG GLU 69 2HG GLU 69 -11.794 -3.040 10.200 544 2HG GLU 69 1HG GLU 69 -13.170 -4.138 10.173 545 H THR 70 H THR 70 -12.316 -7.613 11.542 546 HA THR 70 HA THR 70 -12.689 -8.673 8.997 547 HB THR 70 HB THR 70 -14.555 -9.957 9.989 548 HG1 THR 70 1HG THR 70 -15.457 -9.366 11.799 549 1HG2 THR 70 1HG2 THR 70 -11.883 -10.046 10.798 550 2HG2 THR 70 2HG2 THR 70 -13.095 -11.321 10.926 551 3HG2 THR 70 3HG2 THR 70 -12.843 -10.206 12.269 552 H LYS 71 H LYS 71 -14.472 -8.715 7.588 553 HA LYS 71 HA LYS 71 -16.155 -7.831 6.347 554 1HB LYS 71 2HB LYS 71 -16.981 -6.551 8.959 555 2HB LYS 71 1HB LYS 71 -17.969 -6.630 7.505 556 1HG LYS 71 2HG LYS 71 -16.997 -8.988 9.106 557 2HG LYS 71 1HG LYS 71 -18.629 -8.321 9.123 558 1HD LYS 71 2HD LYS 71 -18.859 -8.840 6.737 559 2HD LYS 71 1HD LYS 71 -17.230 -9.522 6.733 560 1HE LYS 71 2HE LYS 71 -18.916 -11.276 6.896 561 2HE LYS 71 1HE LYS 71 -17.927 -11.209 8.353 562 1HZ LYS 71 1HZ LYS 71 -20.303 -11.466 8.832 563 2HZ LYS 71 2HZ LYS 71 -20.619 -9.987 8.077 564 3HZ LYS 71 3HZ LYS 71 -19.679 -10.033 9.483 565 H HIS 72 H HIS 72 -13.659 -6.533 6.423 566 HA HIS 72 HA HIS 72 -14.366 -4.033 5.238 567 1HB HIS 72 2HB HIS 72 -12.975 -4.036 7.915 568 2HB HIS 72 1HB HIS 72 -12.844 -2.689 6.790 569 HD1 HIS 72 1HD HIS 72 -15.436 -1.872 5.968 570 HD2 HIS 72 2HD HIS 72 -14.953 -3.624 9.703 571 HE1 HIS 72 1HE HIS 72 -17.448 -1.174 7.302 572 HE2 HIS 72 2HE HIS 72 -17.179 -2.321 9.529 573 H PHE 73 H PHE 73 -13.219 -6.010 3.979 574 HA PHE 73 HA PHE 73 -10.575 -5.003 3.378 575 1HB PHE 73 2HB PHE 73 -9.955 -6.605 5.039 576 2HB PHE 73 1HB PHE 73 -11.038 -7.817 4.367 577 HD1 PHE 73 1HD PHE 73 -8.246 -5.662 3.130 578 HD2 PHE 73 2HD PHE 73 -10.006 -9.533 3.275 579 HE1 PHE 73 1HE PHE 73 -6.407 -6.545 1.755 580 HE2 PHE 73 2HE PHE 73 -8.171 -10.424 1.902 581 HZ PHE 73 HZ PHE 73 -6.368 -8.930 1.139 582 H ILE 74 H ILE 74 -9.966 -5.339 1.271 583 HA ILE 74 HA ILE 74 -11.233 -7.287 -0.398 584 HB ILE 74 HB ILE 74 -13.064 -5.697 -0.328 585 1HG1 ILE 74 2HG1 ILE 74 -11.539 -5.665 -2.943 586 2HG1 ILE 74 1HG1 ILE 74 -12.718 -6.866 -2.432 587 1HG2 ILE 74 1HG2 ILE 74 -11.077 -3.673 -1.351 588 2HG2 ILE 74 2HG2 ILE 74 -11.784 -3.705 0.264 589 3HG2 ILE 74 3HG2 ILE 74 -12.809 -3.408 -1.141 590 1HD1 ILE 74 1HD1 ILE 74 -13.119 -4.366 -3.779 591 2HD1 ILE 74 2HD1 ILE 74 -14.046 -4.423 -2.280 592 3HD1 ILE 74 3HD1 ILE 74 -14.253 -5.685 -3.495 593 H TYR 75 H TYR 75 -10.249 -7.542 -2.353 594 HA TYR 75 HA TYR 75 -8.254 -5.648 -3.286 595 1HB TYR 75 2HB TYR 75 -7.070 -7.183 -1.679 596 2HB TYR 75 1HB TYR 75 -7.508 -8.530 -2.723 597 HD1 TYR 75 1HD TYR 75 -6.849 -8.021 -5.331 598 HD2 TYR 75 2HD TYR 75 -4.928 -6.407 -1.894 599 HE1 TYR 75 1HE TYR 75 -4.815 -7.638 -6.655 600 HE2 TYR 75 2HE TYR 75 -2.888 -6.021 -3.209 601 HH TYR 75 HH TYR 75 -2.444 -7.332 -6.342 602 H PHE 76 H PHE 76 -8.165 -5.671 -5.514 603 HA PHE 76 HA PHE 76 -8.873 -7.985 -7.040 604 1HB PHE 76 2HB PHE 76 -10.935 -7.071 -8.042 605 2HB PHE 76 1HB PHE 76 -11.109 -7.342 -6.312 606 HD1 PHE 76 1HD PHE 76 -10.391 -5.181 -4.866 607 HD2 PHE 76 2HD PHE 76 -11.827 -5.142 -8.873 608 HE1 PHE 76 1HE PHE 76 -11.115 -2.849 -4.579 609 HE2 PHE 76 2HE PHE 76 -12.555 -2.808 -8.592 610 HZ PHE 76 HZ PHE 76 -12.198 -1.659 -6.442 611 H TYR 77 H TYR 77 -8.115 -7.868 -9.071 612 HA TYR 77 HA TYR 77 -6.595 -5.565 -9.867 613 1HB TYR 77 2HB TYR 77 -7.274 -8.082 -11.407 614 2HB TYR 77 1HB TYR 77 -6.088 -6.878 -11.893 615 HD1 TYR 77 1HD TYR 77 -4.311 -6.353 -9.912 616 HD2 TYR 77 2HD TYR 77 -6.440 -9.998 -10.446 617 HE1 TYR 77 1HE TYR 77 -2.576 -7.545 -8.643 618 HE2 TYR 77 2HE TYR 77 -4.709 -11.201 -9.179 619 HH TYR 77 HH TYR 77 -2.607 -9.855 -7.201 620 H LEU 78 H LEU 78 -7.053 -4.124 -11.534 621 HA LEU 78 HA LEU 78 -9.324 -4.373 -13.227 622 1HB LEU 78 2HB LEU 78 -10.375 -3.874 -11.009 623 2HB LEU 78 1HB LEU 78 -9.535 -2.338 -11.009 624 HG LEU 78 HG LEU 78 -11.527 -3.140 -13.128 625 1HD1 LEU 78 1HD1 LEU 78 -13.234 -2.277 -11.912 626 2HD1 LEU 78 2HD1 LEU 78 -12.200 -1.125 -11.069 627 3HD1 LEU 78 3HD1 LEU 78 -12.226 -2.818 -10.572 628 1HD2 LEU 78 1HD2 LEU 78 -9.776 -0.840 -12.690 629 2HD2 LEU 78 2HD2 LEU 78 -11.463 -0.408 -12.958 630 3HD2 LEU 78 3HD2 LEU 78 -10.602 -1.375 -14.154 631 H GLY 79 H GLY 79 -9.296 -2.897 -14.885 632 1HA GLY 79 2HA GLY 79 -8.385 -1.354 -16.319 633 2HA GLY 79 1HA GLY 79 -8.108 -0.377 -14.884 634 H GLN 80 H GLN 80 -6.712 -3.518 -15.695 635 HA GLN 80 HA GLN 80 -4.557 -4.219 -15.853 636 1HB GLN 80 2HB GLN 80 -4.207 -1.485 -17.099 637 2HB GLN 80 1HB GLN 80 -3.024 -2.782 -17.175 638 1HG GLN 80 2HG GLN 80 -4.254 -2.681 -19.235 639 2HG GLN 80 1HG GLN 80 -4.648 -4.173 -18.384 640 1HE2 GLN 80 1HE2 GLN 80 -6.703 -4.677 -18.489 641 2HE2 GLN 80 2HE2 GLN 80 -8.029 -3.572 -18.551 642 H VAL 81 H VAL 81 -5.354 -3.009 -13.393 643 HA VAL 81 HA VAL 81 -2.744 -2.523 -12.269 644 HB VAL 81 HB VAL 81 -3.342 -0.395 -11.174 645 1HG1 VAL 81 1HG1 VAL 81 -2.097 -0.529 -13.371 646 2HG1 VAL 81 2HG1 VAL 81 -2.867 1.016 -13.012 647 3HG1 VAL 81 3HG1 VAL 81 -3.617 -0.097 -14.155 648 1HG2 VAL 81 1HG2 VAL 81 -5.259 0.888 -11.871 649 2HG2 VAL 81 2HG2 VAL 81 -5.801 -0.692 -11.306 650 3HG2 VAL 81 3HG2 VAL 81 -5.715 -0.355 -13.036 651 H ALA 82 H ALA 82 -2.637 -3.233 -10.211 652 HA ALA 82 HA ALA 82 -4.848 -4.645 -9.118 653 1HB ALA 82 1HB ALA 82 -2.594 -4.002 -7.331 654 2HB ALA 82 2HB ALA 82 -2.184 -4.857 -8.819 655 3HB ALA 82 3HB ALA 82 -3.353 -5.553 -7.694 656 H ILE 83 H ILE 83 -6.282 -4.108 -7.578 657 HA ILE 83 HA ILE 83 -6.033 -1.436 -6.357 658 HB ILE 83 HB ILE 83 -8.586 -2.833 -7.173 659 1HG1 ILE 83 2HG1 ILE 83 -7.204 -0.397 -8.321 660 2HG1 ILE 83 1HG1 ILE 83 -7.331 -1.972 -9.095 661 1HG2 ILE 83 1HG2 ILE 83 -9.462 -1.563 -5.545 662 2HG2 ILE 83 2HG2 ILE 83 -9.227 -0.228 -6.670 663 3HG2 ILE 83 3HG2 ILE 83 -8.021 -0.552 -5.427 664 1HD1 ILE 83 1HD1 ILE 83 -8.929 -0.474 -10.062 665 2HD1 ILE 83 2HD1 ILE 83 -9.584 -0.082 -8.472 666 3HD1 ILE 83 3HD1 ILE 83 -9.785 -1.705 -9.133 667 H LEU 84 H LEU 84 -6.370 -1.261 -4.203 668 HA LEU 84 HA LEU 84 -7.396 -3.576 -2.732 669 1HB LEU 84 2HB LEU 84 -4.966 -3.808 -2.753 670 2HB LEU 84 1HB LEU 84 -4.788 -2.176 -2.140 671 HG LEU 84 HG LEU 84 -5.828 -2.828 -0.029 672 1HD1 LEU 84 1HD1 LEU 84 -6.741 -5.045 -1.551 673 2HD1 LEU 84 2HD1 LEU 84 -7.129 -4.615 0.114 674 3HD1 LEU 84 3HD1 LEU 84 -5.748 -5.658 -0.227 675 1HD2 LEU 84 1HD2 LEU 84 -3.408 -4.161 -1.086 676 2HD2 LEU 84 2HD2 LEU 84 -4.042 -4.761 0.446 677 3HD2 LEU 84 3HD2 LEU 84 -3.595 -3.063 0.281 678 H LEU 85 H LEU 85 -8.519 -3.075 -0.893 679 HA LEU 85 HA LEU 85 -8.422 -0.404 0.218 680 1HB LEU 85 2HB LEU 85 -9.967 -0.092 -1.631 681 2HB LEU 85 1HB LEU 85 -10.918 -1.467 -1.102 682 HG LEU 85 HG LEU 85 -11.544 -0.264 0.942 683 1HD1 LEU 85 1HD1 LEU 85 -10.894 2.385 0.378 684 2HD1 LEU 85 2HD1 LEU 85 -9.405 1.481 0.102 685 3HD1 LEU 85 3HD1 LEU 85 -10.226 1.375 1.659 686 1HD2 LEU 85 1HD2 LEU 85 -12.141 0.749 -1.769 687 2HD2 LEU 85 2HD2 LEU 85 -12.638 1.766 -0.416 688 3HD2 LEU 85 3HD2 LEU 85 -13.220 0.105 -0.532 689 H PHE 86 H PHE 86 -9.254 -0.256 2.283 690 HA PHE 86 HA PHE 86 -10.945 -2.069 3.551 691 1HB PHE 86 2HB PHE 86 -9.296 -3.329 4.954 692 2HB PHE 86 1HB PHE 86 -9.279 -3.774 3.252 693 HD1 PHE 86 1HD PHE 86 -7.530 -1.574 5.696 694 HD2 PHE 86 2HD PHE 86 -7.297 -3.837 2.102 695 HE1 PHE 86 1HE PHE 86 -5.109 -1.152 5.589 696 HE2 PHE 86 2HE PHE 86 -4.877 -3.421 1.993 697 HZ PHE 86 HZ PHE 86 -3.782 -2.074 3.734 698 H LYS 87 H LYS 87 -11.613 -1.179 5.421 699 HA LYS 87 HA LYS 87 -10.069 1.102 6.399 700 1HB LYS 87 2HB LYS 87 -12.132 1.902 7.402 701 2HB LYS 87 1HB LYS 87 -12.345 1.578 5.697 702 1HG LYS 87 2HG LYS 87 -14.266 0.687 6.550 703 2HG LYS 87 1HG LYS 87 -13.221 -0.732 6.523 704 1HD LYS 87 2HD LYS 87 -14.374 -0.643 8.634 705 2HD LYS 87 1HD LYS 87 -12.667 -0.307 8.902 706 1HE LYS 87 2HE LYS 87 -13.138 2.083 8.996 707 2HE LYS 87 1HE LYS 87 -14.843 1.766 8.681 708 1HZ LYS 87 1HZ LYS 87 -14.176 0.203 10.853 709 2HZ LYS 87 2HZ LYS 87 -15.102 1.619 10.864 710 3HZ LYS 87 3HZ LYS 87 -13.435 1.697 11.142 711 H SER 88 H SER 88 -10.400 1.610 8.762 712 HA SER 88 HA SER 88 -9.813 1.087 10.902 713 1HB SER 88 2HB SER 88 -12.073 0.247 11.027 714 2HB SER 88 1HB SER 88 -11.586 -1.280 10.297 715 HG SER 88 HG SER 88 -10.799 -0.263 12.824 716 H GLY 89 H GLY 89 -7.840 0.491 9.128 717 1HA GLY 89 2HA GLY 89 -6.850 -2.124 9.156 718 2HA GLY 89 1HA GLY 89 -5.876 -0.679 8.940 719 1H MET 1 1HT MET 1 30.146 -0.608 2.690 720 2H MET 1 2HT MET 1 29.765 -1.323 1.178 721 3H MET 1 3HT MET 1 29.314 -2.106 2.638 722 HA MET 1 HA MET 1 28.137 0.167 1.275 723 1HB MET 1 2HB MET 1 27.125 -2.190 2.881 724 2HB MET 1 1HB MET 1 26.081 -0.956 2.190 725 1HG MET 1 2HG MET 1 26.030 -2.812 0.732 726 2HG MET 1 1HG MET 1 26.990 -1.564 -0.056 727 1HE MET 1 1HE MET 1 28.373 -3.537 -1.800 728 2HE MET 1 2HE MET 1 26.865 -4.183 -1.152 729 3HE MET 1 3HE MET 1 28.341 -5.146 -1.077 730 H CYS 2 H CYS 2 27.345 1.929 2.285 731 HA CYS 2 HA CYS 2 28.307 2.684 4.806 732 1HB CYS 2 2HB CYS 2 27.633 4.313 3.105 733 2HB CYS 2 1HB CYS 2 25.957 3.796 3.258 734 HG CYS 2 HG CYS 2 27.158 4.906 5.841 735 H ASP 3 H ASP 3 27.549 2.468 6.829 736 HA ASP 3 HA ASP 3 25.585 0.547 7.423 737 1HB ASP 3 2HB ASP 3 26.741 2.707 9.197 738 2HB ASP 3 1HB ASP 3 25.823 1.314 9.760 739 H ARG 4 H ARG 4 23.444 0.666 7.726 740 HA ARG 4 HA ARG 4 21.322 1.483 7.724 741 1HB ARG 4 2HB ARG 4 22.436 2.581 9.831 742 2HB ARG 4 1HB ARG 4 22.325 4.059 8.890 743 1HG ARG 4 2HG ARG 4 19.992 2.278 9.563 744 2HG ARG 4 1HG ARG 4 20.442 3.732 10.453 745 1HD ARG 4 2HD ARG 4 19.681 3.631 7.536 746 2HD ARG 4 1HD ARG 4 18.620 4.130 8.851 747 HE ARG 4 HE ARG 4 20.915 5.702 8.980 748 1HH1 ARG 4 1HH1 ARG 4 18.238 5.166 6.807 749 2HH1 ARG 4 2HH1 ARG 4 18.262 6.779 6.177 750 1HH2 ARG 4 1HH2 ARG 4 20.947 7.826 8.155 751 2HH2 ARG 4 2HH2 ARG 4 19.798 8.289 6.944 752 H LYS 5 H LYS 5 22.303 1.644 5.300 753 HA LYS 5 HA LYS 5 22.512 4.229 4.175 754 1HB LYS 5 2HB LYS 5 23.282 1.954 3.235 755 2HB LYS 5 1HB LYS 5 21.635 1.806 2.637 756 1HG LYS 5 2HG LYS 5 21.873 3.628 1.190 757 2HG LYS 5 1HG LYS 5 23.302 4.219 2.036 758 1HD LYS 5 2HD LYS 5 23.983 3.227 -0.037 759 2HD LYS 5 1HD LYS 5 24.517 2.201 1.293 760 1HE LYS 5 2HE LYS 5 22.005 1.729 -0.304 761 2HE LYS 5 1HE LYS 5 23.553 0.967 -0.658 762 1HZ LYS 5 1HZ LYS 5 21.633 0.361 1.406 763 2HZ LYS 5 2HZ LYS 5 23.230 0.425 1.960 764 3HZ LYS 5 3HZ LYS 5 22.814 -0.624 0.701 765 H ALA 6 H ALA 6 20.386 3.125 2.015 766 HA ALA 6 HA ALA 6 18.247 3.623 1.451 767 1HB ALA 6 1HB ALA 6 16.550 3.157 2.999 768 2HB ALA 6 2HB ALA 6 17.564 3.589 4.374 769 3HB ALA 6 3HB ALA 6 17.889 2.111 3.468 770 H VAL 7 H VAL 7 17.268 5.490 0.880 771 HA VAL 7 HA VAL 7 17.998 7.887 2.381 772 HB VAL 7 HB VAL 7 17.225 9.102 0.388 773 1HG1 VAL 7 1HG1 VAL 7 19.417 7.095 0.271 774 2HG1 VAL 7 2HG1 VAL 7 19.507 8.855 0.340 775 3HG1 VAL 7 3HG1 VAL 7 19.059 8.054 -1.165 776 1HG2 VAL 7 1HG2 VAL 7 17.034 6.422 -0.954 777 2HG2 VAL 7 2HG2 VAL 7 16.631 8.001 -1.631 778 3HG2 VAL 7 3HG2 VAL 7 15.633 7.309 -0.351 779 H ILE 8 H ILE 8 16.536 9.244 3.262 780 HA ILE 8 HA ILE 8 13.866 8.230 3.691 781 HB ILE 8 HB ILE 8 15.210 10.739 4.706 782 1HG1 ILE 8 2HG1 ILE 8 15.153 9.525 6.879 783 2HG1 ILE 8 1HG1 ILE 8 14.525 8.111 6.040 784 1HG2 ILE 8 1HG2 ILE 8 12.898 11.234 4.643 785 2HG2 ILE 8 2HG2 ILE 8 13.264 10.790 6.311 786 3HG2 ILE 8 3HG2 ILE 8 12.466 9.634 5.246 787 1HD1 ILE 8 1HD1 ILE 8 16.536 7.667 5.015 788 2HD1 ILE 8 2HD1 ILE 8 17.047 8.282 6.587 789 3HD1 ILE 8 3HD1 ILE 8 17.103 9.330 5.170 790 H LYS 9 H LYS 9 11.933 9.453 3.304 791 HA LYS 9 HA LYS 9 12.124 11.569 1.293 792 1HB LYS 9 2HB LYS 9 10.533 9.027 0.948 793 2HB LYS 9 1HB LYS 9 10.346 10.452 -0.065 794 1HG LYS 9 2HG LYS 9 12.866 8.830 0.239 795 2HG LYS 9 1HG LYS 9 11.745 8.752 -1.120 796 1HD LYS 9 2HD LYS 9 13.308 11.187 -0.263 797 2HD LYS 9 1HD LYS 9 13.695 10.146 -1.634 798 1HE LYS 9 2HE LYS 9 11.545 10.715 -2.664 799 2HE LYS 9 1HE LYS 9 11.171 11.763 -1.296 800 1HZ LYS 9 1HZ LYS 9 13.491 12.784 -2.000 801 2HZ LYS 9 2HZ LYS 9 12.037 13.297 -2.691 802 3HZ LYS 9 3HZ LYS 9 13.017 12.189 -3.512 803 H ASN 10 H ASN 10 10.077 9.715 3.511 804 HA ASN 10 HA ASN 10 8.645 12.165 4.162 805 1HB ASN 10 2HB ASN 10 7.212 9.645 3.294 806 2HB ASN 10 1HB ASN 10 6.439 11.083 3.951 807 1HD2 ASN 10 1HD2 ASN 10 7.004 9.500 1.194 808 2HD2 ASN 10 2HD2 ASN 10 6.997 10.813 0.071 809 H ALA 11 H ALA 11 10.479 11.063 5.757 810 HA ALA 11 HA ALA 11 9.681 9.052 7.521 811 1HB ALA 11 1HB ALA 11 11.881 9.492 7.828 812 2HB ALA 11 2HB ALA 11 11.248 10.519 9.115 813 3HB ALA 11 3HB ALA 11 11.684 11.224 7.559 814 H ASP 12 H ASP 12 8.693 9.060 9.525 815 HA ASP 12 HA ASP 12 7.702 11.466 10.727 816 1HB ASP 12 2HB ASP 12 6.044 11.129 8.911 817 2HB ASP 12 1HB ASP 12 5.680 9.537 9.564 818 H MET 13 H MET 13 9.348 9.908 11.931 819 HA MET 13 HA MET 13 7.869 8.778 14.125 820 1HB MET 13 2HB MET 13 9.657 6.984 12.473 821 2HB MET 13 1HB MET 13 8.975 6.573 14.036 822 1HG MET 13 2HG MET 13 6.729 6.736 13.084 823 2HG MET 13 1HG MET 13 7.444 7.087 11.512 824 1HE MET 13 1HE MET 13 6.079 4.792 10.409 825 2HE MET 13 2HE MET 13 5.359 4.932 12.013 826 3HE MET 13 3HE MET 13 5.955 3.372 11.447 827 H SER 14 H SER 14 9.254 8.245 15.938 828 HA SER 14 HA SER 14 11.321 10.068 16.372 829 1HB SER 14 2HB SER 14 10.833 7.420 17.764 830 2HB SER 14 1HB SER 14 11.854 8.722 18.377 831 HG SER 14 HG SER 14 9.865 10.042 18.205 832 H GLU 15 H GLU 15 13.589 9.839 16.458 833 HA GLU 15 HA GLU 15 14.883 8.699 14.358 834 1HB GLU 15 2HB GLU 15 16.016 9.042 17.137 835 2HB GLU 15 1HB GLU 15 16.961 8.855 15.666 836 1HG GLU 15 2HG GLU 15 15.094 11.135 16.277 837 2HG GLU 15 1HG GLU 15 16.852 11.179 16.387 838 H GLU 16 H GLU 16 14.257 7.144 17.463 839 HA GLU 16 HA GLU 16 15.733 4.802 16.919 840 1HB GLU 16 2HB GLU 16 14.455 3.794 18.768 841 2HB GLU 16 1HB GLU 16 15.065 5.388 19.191 842 1HG GLU 16 2HG GLU 16 12.862 6.349 18.756 843 2HG GLU 16 1HG GLU 16 12.253 4.750 18.332 844 H MET 17 H MET 17 12.370 5.690 16.310 845 HA MET 17 HA MET 17 11.553 3.129 15.431 846 1HB MET 17 2HB MET 17 10.436 5.867 14.838 847 2HB MET 17 1HB MET 17 9.639 4.359 14.410 848 1HG MET 17 2HG MET 17 9.502 3.762 16.773 849 2HG MET 17 1HG MET 17 10.305 5.271 17.200 850 1HE MET 17 1HE MET 17 8.460 5.441 18.858 851 2HE MET 17 2HE MET 17 7.111 4.428 18.346 852 3HE MET 17 3HE MET 17 6.887 6.167 18.526 853 H GLN 18 H GLN 18 12.623 6.030 13.690 854 HA GLN 18 HA GLN 18 12.410 4.909 11.104 855 1HB GLN 18 2HB GLN 18 14.361 7.049 11.945 856 2HB GLN 18 1HB GLN 18 13.688 6.785 10.344 857 1HG GLN 18 2HG GLN 18 11.508 7.478 11.106 858 2HG GLN 18 1HG GLN 18 12.113 7.652 12.755 859 1HE2 GLN 18 1HE2 GLN 18 12.921 9.537 13.350 860 2HE2 GLN 18 2HE2 GLN 18 13.292 10.849 12.295 861 H GLN 19 H GLN 19 15.054 5.141 13.426 862 HA GLN 19 HA GLN 19 17.020 3.973 11.758 863 1HB GLN 19 2HB GLN 19 16.796 4.396 14.728 864 2HB GLN 19 1HB GLN 19 18.187 3.585 14.014 865 1HG GLN 19 2HG GLN 19 17.256 6.380 13.398 866 2HG GLN 19 1HG GLN 19 18.623 5.945 14.422 867 1HE2 GLN 19 1HE2 GLN 19 17.819 7.017 11.458 868 2HE2 GLN 19 2HE2 GLN 19 19.181 6.463 10.553 869 H ASP 20 H ASP 20 14.810 2.657 14.173 870 HA ASP 20 HA ASP 20 15.849 0.010 14.071 871 1HB ASP 20 2HB ASP 20 14.504 0.857 15.973 872 2HB ASP 20 1HB ASP 20 13.096 0.941 14.922 873 H SER 21 H SER 21 13.341 1.732 12.311 874 HA SER 21 HA SER 21 12.285 -0.552 10.993 875 1HB SER 21 2HB SER 21 11.016 1.548 11.139 876 2HB SER 21 1HB SER 21 12.235 2.362 10.157 877 HG SER 21 HG SER 21 10.827 0.082 9.249 878 H VAL 22 H VAL 22 14.732 1.858 10.130 879 HA VAL 22 HA VAL 22 15.273 0.851 7.551 880 HB VAL 22 HB VAL 22 17.119 2.372 9.400 881 1HG1 VAL 22 1HG1 VAL 22 18.637 1.865 7.829 882 2HG1 VAL 22 2HG1 VAL 22 17.800 3.079 6.859 883 3HG1 VAL 22 3HG1 VAL 22 17.411 1.371 6.662 884 1HG2 VAL 22 1HG2 VAL 22 15.794 3.749 7.162 885 2HG2 VAL 22 2HG2 VAL 22 16.120 4.301 8.804 886 3HG2 VAL 22 3HG2 VAL 22 14.735 3.254 8.484 887 H GLU 23 H GLU 23 16.791 0.272 10.694 888 HA GLU 23 HA GLU 23 18.750 -1.533 9.732 889 1HB GLU 23 2HB GLU 23 17.571 -1.169 12.490 890 2HB GLU 23 1HB GLU 23 18.928 -2.230 12.139 891 1HG GLU 23 2HG GLU 23 20.244 -0.332 11.390 892 2HG GLU 23 1HG GLU 23 18.880 0.746 11.683 893 H CYS 24 H CYS 24 15.530 -1.957 11.118 894 HA CYS 24 HA CYS 24 15.557 -4.778 11.152 895 1HB CYS 24 2HB CYS 24 13.932 -3.429 12.425 896 2HB CYS 24 1HB CYS 24 13.180 -2.925 10.914 897 HG CYS 24 HG CYS 24 11.939 -4.989 12.110 898 H ALA 25 H ALA 25 14.657 -2.441 8.672 899 HA ALA 25 HA ALA 25 13.519 -4.326 6.876 900 1HB ALA 25 1HB ALA 25 14.797 -1.800 5.922 901 2HB ALA 25 2HB ALA 25 13.349 -1.714 6.924 902 3HB ALA 25 3HB ALA 25 13.308 -2.575 5.385 903 H THR 26 H THR 26 16.706 -2.946 7.365 904 HA THR 26 HA THR 26 17.971 -4.010 5.120 905 HB THR 26 HB THR 26 19.124 -3.413 7.846 906 HG1 THR 26 1HG THR 26 19.524 -1.405 7.039 907 1HG2 THR 26 1HG2 THR 26 20.395 -4.231 5.323 908 2HG2 THR 26 2HG2 THR 26 20.948 -4.404 6.988 909 3HG2 THR 26 3HG2 THR 26 21.126 -2.859 6.156 910 H GLN 27 H GLN 27 17.494 -5.284 8.364 911 HA GLN 27 HA GLN 27 19.002 -7.624 8.147 912 1HB GLN 27 2HB GLN 27 18.033 -6.695 10.256 913 2HB GLN 27 1HB GLN 27 16.446 -7.227 9.711 914 1HG GLN 27 2HG GLN 27 17.209 -9.532 9.716 915 2HG GLN 27 1HG GLN 27 18.805 -9.011 10.248 916 1HE2 GLN 27 1HE2 GLN 27 16.028 -10.341 11.278 917 2HE2 GLN 27 2HE2 GLN 27 16.045 -9.850 12.934 918 H ALA 28 H ALA 28 15.600 -6.972 7.428 919 HA ALA 28 HA ALA 28 14.795 -9.555 6.770 920 1HB ALA 28 1HB ALA 28 13.862 -6.849 5.880 921 2HB ALA 28 2HB ALA 28 13.083 -7.986 6.981 922 3HB ALA 28 3HB ALA 28 13.129 -8.323 5.250 923 H LEU 29 H LEU 29 16.304 -7.062 4.767 924 HA LEU 29 HA LEU 29 16.144 -8.397 2.317 925 1HB LEU 29 2HB LEU 29 18.041 -6.326 3.371 926 2HB LEU 29 1HB LEU 29 18.173 -6.956 1.737 927 HG LEU 29 HG LEU 29 15.645 -5.710 2.781 928 1HD1 LEU 29 1HD1 LEU 29 17.384 -4.171 0.959 929 2HD1 LEU 29 2HD1 LEU 29 17.929 -4.298 2.631 930 3HD1 LEU 29 3HD1 LEU 29 16.343 -3.618 2.270 931 1HD2 LEU 29 1HD2 LEU 29 15.067 -5.515 0.461 932 2HD2 LEU 29 2HD2 LEU 29 15.533 -7.185 0.787 933 3HD2 LEU 29 3HD2 LEU 29 16.658 -6.099 -0.028 934 H GLU 30 H GLU 30 18.759 -8.316 4.701 935 HA GLU 30 HA GLU 30 20.492 -10.041 3.278 936 1HB GLU 30 2HB GLU 30 20.393 -9.420 6.235 937 2HB GLU 30 1HB GLU 30 21.727 -10.209 5.406 938 1HG GLU 30 2HG GLU 30 20.745 -7.408 4.907 939 2HG GLU 30 1HG GLU 30 22.193 -7.859 5.806 940 H LYS 31 H LYS 31 17.908 -10.619 5.566 941 HA LYS 31 HA LYS 31 18.603 -13.382 5.952 942 1HB LYS 31 2HB LYS 31 16.186 -11.782 6.790 943 2HB LYS 31 1HB LYS 31 16.440 -13.473 7.197 944 1HG LYS 31 2HG LYS 31 18.462 -12.897 8.416 945 2HG LYS 31 1HG LYS 31 18.254 -11.202 7.979 946 1HD LYS 31 2HD LYS 31 17.477 -11.565 10.239 947 2HD LYS 31 1HD LYS 31 16.109 -11.178 9.197 948 1HE LYS 31 2HE LYS 31 16.894 -14.003 9.871 949 2HE LYS 31 1HE LYS 31 15.777 -13.064 10.860 950 1HZ LYS 31 1HZ LYS 31 14.186 -13.763 9.505 951 2HZ LYS 31 2HZ LYS 31 15.292 -14.439 8.420 952 3HZ LYS 31 3HZ LYS 31 14.860 -12.810 8.281 953 H TYR 32 H TYR 32 16.556 -11.580 3.772 954 HA TYR 32 HA TYR 32 15.891 -14.106 2.481 955 1HB TYR 32 2HB TYR 32 13.785 -12.060 3.173 956 2HB TYR 32 1HB TYR 32 13.525 -13.569 2.305 957 HD1 TYR 32 1HD TYR 32 14.356 -15.730 3.640 958 HD2 TYR 32 2HD TYR 32 13.309 -12.013 5.415 959 HE1 TYR 32 1HE TYR 32 13.934 -16.876 5.776 960 HE2 TYR 32 2HE TYR 32 12.873 -13.141 7.557 961 HH TYR 32 HH TYR 32 12.706 -16.556 7.827 962 H ASN 33 H ASN 33 15.617 -10.567 2.298 963 HA ASN 33 HA ASN 33 15.959 -9.123 0.566 964 1HB ASN 33 2HB ASN 33 17.976 -10.456 0.066 965 2HB ASN 33 1HB ASN 33 17.006 -11.541 -0.925 966 1HD2 ASN 33 1HD2 ASN 33 17.187 -11.179 -2.999 967 2HD2 ASN 33 2HD2 ASN 33 17.459 -9.649 -3.753 968 H ILE 34 H ILE 34 13.430 -9.858 0.911 969 HA ILE 34 HA ILE 34 12.409 -10.015 -1.838 970 HB ILE 34 HB ILE 34 11.221 -11.550 0.480 971 1HG1 ILE 34 2HG1 ILE 34 12.655 -12.529 -1.999 972 2HG1 ILE 34 1HG1 ILE 34 13.294 -12.575 -0.359 973 1HG2 ILE 34 1HG2 ILE 34 9.447 -10.868 -0.918 974 2HG2 ILE 34 2HG2 ILE 34 9.804 -12.534 -1.376 975 3HG2 ILE 34 3HG2 ILE 34 10.372 -11.201 -2.382 976 1HD1 ILE 34 1HD1 ILE 34 11.780 -14.528 -1.688 977 2HD1 ILE 34 2HD1 ILE 34 10.752 -13.869 -0.415 978 3HD1 ILE 34 3HD1 ILE 34 12.335 -14.535 -0.015 979 H GLU 35 H GLU 35 10.958 -8.485 -2.275 980 HA GLU 35 HA GLU 35 10.429 -6.352 -0.624 981 1HB GLU 35 2HB GLU 35 8.701 -7.365 -2.882 982 2HB GLU 35 1HB GLU 35 8.655 -5.743 -2.208 983 1HG GLU 35 2HG GLU 35 10.923 -5.339 -2.957 984 2HG GLU 35 1HG GLU 35 11.036 -6.988 -3.567 985 H LYS 36 H LYS 36 8.213 -9.061 -1.307 986 HA LYS 36 HA LYS 36 6.148 -8.187 0.389 987 1HB LYS 36 2HB LYS 36 5.811 -9.863 -1.355 988 2HB LYS 36 1HB LYS 36 6.858 -10.985 -0.498 989 1HG LYS 36 2HG LYS 36 5.227 -10.870 1.416 990 2HG LYS 36 1HG LYS 36 4.146 -9.991 0.334 991 1HD LYS 36 2HD LYS 36 3.571 -12.339 0.339 992 2HD LYS 36 1HD LYS 36 4.219 -11.882 -1.236 993 1HE LYS 36 2HE LYS 36 6.378 -12.832 -0.642 994 2HE LYS 36 1HE LYS 36 5.776 -13.238 0.963 995 1HZ LYS 36 1HZ LYS 36 5.811 -15.068 -0.776 996 2HZ LYS 36 2HZ LYS 36 4.489 -14.285 -1.483 997 3HZ LYS 36 3HZ LYS 36 4.376 -14.871 0.100 998 H ASP 37 H ASP 37 8.560 -10.743 0.939 999 HA ASP 37 HA ASP 37 7.883 -11.410 3.529 1000 1HB ASP 37 2HB ASP 37 10.660 -11.388 2.335 1001 2HB ASP 37 1HB ASP 37 10.150 -12.307 3.746 1002 H ILE 38 H ILE 38 10.193 -8.904 2.488 1003 HA ILE 38 HA ILE 38 11.223 -8.147 4.921 1004 HB ILE 38 HB ILE 38 10.527 -6.425 2.546 1005 1HG1 ILE 38 2HG1 ILE 38 13.219 -7.370 3.533 1006 2HG1 ILE 38 1HG1 ILE 38 12.272 -8.249 2.341 1007 1HG2 ILE 38 1HG2 ILE 38 12.386 -4.951 3.723 1008 2HG2 ILE 38 2HG2 ILE 38 11.705 -5.690 5.171 1009 3HG2 ILE 38 3HG2 ILE 38 10.672 -4.754 4.092 1010 1HD1 ILE 38 1HD1 ILE 38 12.290 -5.852 1.178 1011 2HD1 ILE 38 2HD1 ILE 38 13.558 -7.050 0.928 1012 3HD1 ILE 38 3HD1 ILE 38 13.800 -5.741 2.083 1013 H ALA 39 H ALA 39 8.173 -7.077 3.465 1014 HA ALA 39 HA ALA 39 7.476 -5.220 5.448 1015 1HB ALA 39 1HB ALA 39 5.874 -6.771 3.447 1016 2HB ALA 39 2HB ALA 39 6.284 -5.056 3.450 1017 3HB ALA 39 3HB ALA 39 5.102 -5.681 4.600 1018 H ALA 40 H ALA 40 6.970 -8.693 5.226 1019 HA ALA 40 HA ALA 40 5.131 -8.941 7.342 1020 1HB ALA 40 1HB ALA 40 6.536 -11.322 7.313 1021 2HB ALA 40 2HB ALA 40 6.692 -10.714 5.665 1022 3HB ALA 40 3HB ALA 40 5.094 -10.942 6.372 1023 H HIS 41 H HIS 41 8.672 -9.264 7.300 1024 HA HIS 41 HA HIS 41 8.976 -9.952 10.003 1025 1HB HIS 41 2HB HIS 41 11.007 -8.393 8.422 1026 2HB HIS 41 1HB HIS 41 11.289 -9.565 9.707 1027 HD1 HIS 41 1HD HIS 41 9.875 -12.005 8.842 1028 HD2 HIS 41 2HD HIS 41 11.830 -9.535 6.139 1029 HE1 HIS 41 1HE HIS 41 10.287 -13.429 6.812 1030 HE2 HIS 41 2HE HIS 41 11.346 -11.872 5.140 1031 H ILE 42 H ILE 42 9.268 -6.798 8.399 1032 HA ILE 42 HA ILE 42 9.767 -5.336 10.770 1033 HB ILE 42 HB ILE 42 8.668 -4.335 8.140 1034 1HG1 ILE 42 2HG1 ILE 42 11.517 -4.512 9.139 1035 2HG1 ILE 42 1HG1 ILE 42 10.808 -5.513 7.877 1036 1HG2 ILE 42 1HG2 ILE 42 8.345 -2.768 10.002 1037 2HG2 ILE 42 2HG2 ILE 42 9.510 -2.161 8.825 1038 3HG2 ILE 42 3HG2 ILE 42 10.072 -2.842 10.353 1039 1HD1 ILE 42 1HD1 ILE 42 10.326 -2.938 7.016 1040 2HD1 ILE 42 2HD1 ILE 42 11.596 -4.020 6.442 1041 3HD1 ILE 42 3HD1 ILE 42 11.939 -2.857 7.723 1042 H LYS 43 H LYS 43 6.807 -6.029 8.954 1043 HA LYS 43 HA LYS 43 5.110 -4.276 10.310 1044 1HB LYS 43 2HB LYS 43 4.482 -5.395 8.228 1045 2HB LYS 43 1HB LYS 43 4.435 -6.942 9.063 1046 1HG LYS 43 2HG LYS 43 2.609 -6.123 10.471 1047 2HG LYS 43 1HG LYS 43 2.651 -4.580 9.615 1048 1HD LYS 43 2HD LYS 43 2.098 -5.723 7.525 1049 2HD LYS 43 1HD LYS 43 2.064 -7.269 8.377 1050 1HE LYS 43 2HE LYS 43 0.250 -4.909 8.869 1051 2HE LYS 43 1HE LYS 43 -0.190 -6.419 8.072 1052 1HZ LYS 43 1HZ LYS 43 0.845 -7.207 10.468 1053 2HZ LYS 43 2HZ LYS 43 -0.797 -7.106 10.082 1054 3HZ LYS 43 3HZ LYS 43 -0.033 -5.816 10.863 1055 H LYS 44 H LYS 44 5.455 -7.803 10.898 1056 HA LYS 44 HA LYS 44 3.870 -7.698 13.246 1057 1HB LYS 44 2HB LYS 44 4.443 -9.986 13.602 1058 2HB LYS 44 1HB LYS 44 4.229 -9.753 11.875 1059 1HG LYS 44 2HG LYS 44 6.602 -9.767 11.522 1060 2HG LYS 44 1HG LYS 44 6.901 -9.805 13.261 1061 1HD LYS 44 2HD LYS 44 5.777 -11.986 13.394 1062 2HD LYS 44 1HD LYS 44 5.515 -11.949 11.650 1063 1HE LYS 44 2HE LYS 44 8.215 -11.882 12.992 1064 2HE LYS 44 1HE LYS 44 7.459 -13.329 12.329 1065 1HZ LYS 44 1HZ LYS 44 8.062 -12.769 10.279 1066 2HZ LYS 44 2HZ LYS 44 9.086 -11.622 10.980 1067 3HZ LYS 44 3HZ LYS 44 7.545 -11.167 10.452 1068 H GLU 45 H GLU 45 7.363 -7.596 12.726 1069 HA GLU 45 HA GLU 45 8.248 -7.953 15.319 1070 1HB GLU 45 2HB GLU 45 9.762 -7.804 13.412 1071 2HB GLU 45 1HB GLU 45 9.370 -6.103 13.208 1072 1HG GLU 45 2HG GLU 45 11.518 -6.367 14.288 1073 2HG GLU 45 1HG GLU 45 10.362 -5.608 15.380 1074 H PHE 46 H PHE 46 7.457 -4.825 13.767 1075 HA PHE 46 HA PHE 46 7.777 -3.364 16.197 1076 1HB PHE 46 2HB PHE 46 6.514 -2.639 13.557 1077 2HB PHE 46 1HB PHE 46 6.615 -1.519 14.911 1078 HD1 PHE 46 1HD PHE 46 8.890 -3.827 13.044 1079 HD2 PHE 46 2HD PHE 46 8.341 -0.027 14.868 1080 HE1 PHE 46 1HE PHE 46 11.144 -3.164 12.331 1081 HE2 PHE 46 2HE PHE 46 10.594 0.646 14.157 1082 HZ PHE 46 HZ PHE 46 11.999 -0.925 12.887 1083 H ASP 47 H ASP 47 4.988 -4.590 14.417 1084 HA ASP 47 HA ASP 47 2.940 -3.534 15.962 1085 1HB ASP 47 2HB ASP 47 2.627 -4.763 13.828 1086 2HB ASP 47 1HB ASP 47 3.037 -6.264 14.652 1087 H LYS 48 H LYS 48 4.971 -6.343 16.471 1088 HA LYS 48 HA LYS 48 3.567 -7.301 18.769 1089 1HB LYS 48 2HB LYS 48 5.100 -8.558 17.075 1090 2HB LYS 48 1HB LYS 48 6.410 -7.980 18.089 1091 1HG LYS 48 2HG LYS 48 4.123 -9.732 18.951 1092 2HG LYS 48 1HG LYS 48 5.792 -10.232 18.683 1093 1HD LYS 48 2HD LYS 48 4.844 -8.276 20.772 1094 2HD LYS 48 1HD LYS 48 5.317 -9.949 21.062 1095 1HE LYS 48 2HE LYS 48 7.577 -9.443 20.262 1096 2HE LYS 48 1HE LYS 48 7.104 -7.767 19.989 1097 1HZ LYS 48 1HZ LYS 48 8.265 -8.554 22.209 1098 2HZ LYS 48 2HZ LYS 48 6.665 -8.864 22.659 1099 3HZ LYS 48 3HZ LYS 48 7.125 -7.304 22.193 1100 H LYS 49 H LYS 49 6.655 -5.648 18.233 1101 HA LYS 49 HA LYS 49 7.251 -5.356 21.008 1102 1HB LYS 49 2HB LYS 49 8.422 -4.043 18.558 1103 2HB LYS 49 1HB LYS 49 9.065 -3.850 20.184 1104 1HG LYS 49 2HG LYS 49 8.838 -6.460 18.700 1105 2HG LYS 49 1HG LYS 49 10.309 -5.498 18.874 1106 1HD LYS 49 2HD LYS 49 10.133 -5.731 21.323 1107 2HD LYS 49 1HD LYS 49 8.718 -6.761 21.100 1108 1HE LYS 49 2HE LYS 49 10.081 -8.353 19.835 1109 2HE LYS 49 1HE LYS 49 11.494 -7.322 20.063 1110 1HZ LYS 49 1HZ LYS 49 10.180 -9.112 21.942 1111 2HZ LYS 49 2HZ LYS 49 10.727 -7.645 22.582 1112 3HZ LYS 49 3HZ LYS 49 11.813 -8.687 21.809 1113 H TYR 50 H TYR 50 6.872 -2.804 18.599 1114 HA TYR 50 HA TYR 50 6.327 -0.817 20.527 1115 1HB TYR 50 2HB TYR 50 5.877 -0.760 17.542 1116 2HB TYR 50 1HB TYR 50 5.862 0.644 18.602 1117 HD1 TYR 50 1HD TYR 50 7.601 1.190 16.636 1118 HD2 TYR 50 2HD TYR 50 8.327 -1.515 19.840 1119 HE1 TYR 50 1HE TYR 50 10.023 1.447 16.303 1120 HE2 TYR 50 2HE TYR 50 10.743 -1.271 19.513 1121 HH TYR 50 HH TYR 50 12.088 1.162 17.498 1122 H ASN 51 H ASN 51 4.313 -3.139 19.056 1123 HA ASN 51 HA ASN 51 2.152 -3.654 19.724 1124 1HB ASN 51 2HB ASN 51 1.827 -0.739 20.477 1125 2HB ASN 51 1HB ASN 51 0.652 -2.015 20.742 1126 1HD2 ASN 51 1HD2 ASN 51 3.363 -3.629 21.309 1127 2HD2 ASN 51 2HD2 ASN 51 3.587 -3.308 22.988 1128 HA PRO 52 HA PRO 52 0.452 -2.856 15.783 1129 1HB PRO 52 2HB PRO 52 -2.214 -3.333 16.286 1130 2HB PRO 52 1HB PRO 52 -1.008 -4.600 16.046 1131 1HG PRO 52 2HG PRO 52 -2.106 -3.493 18.598 1132 2HG PRO 52 1HG PRO 52 -1.773 -5.179 18.161 1133 1HD PRO 52 2HD PRO 52 -0.098 -3.778 19.719 1134 2HD PRO 52 1HD PRO 52 0.504 -4.958 18.535 1135 H THR 53 H THR 53 -1.667 0.014 15.344 1136 HA THR 53 HA THR 53 -0.870 -2.678 14.469 1137 HB THR 53 HB THR 53 -3.288 -2.237 14.352 1138 HG1 THR 53 1HG THR 53 -2.150 -2.279 11.759 1139 1HG2 THR 53 1HG2 THR 53 -2.559 0.301 13.479 1140 2HG2 THR 53 2HG2 THR 53 -4.185 -0.370 13.594 1141 3HG2 THR 53 3HG2 THR 53 -3.288 -0.487 12.082 1142 H TRP 54 H TRP 54 0.578 -2.878 12.849 1143 HA TRP 54 HA TRP 54 1.532 -0.379 11.635 1144 1HB TRP 54 2HB TRP 54 2.971 -2.989 12.089 1145 2HB TRP 54 1HB TRP 54 3.650 -1.613 11.222 1146 HD1 TRP 54 HD TRP 54 2.071 -2.215 14.720 1147 HE1 TRP 54 1HE TRP 54 3.426 -0.858 16.430 1148 HE3 TRP 54 3HE TRP 54 5.375 0.026 11.528 1149 HZ2 TRP 54 2HZ TRP 54 5.603 0.941 16.427 1150 HZ3 TRP 54 3HZ TRP 54 7.058 1.560 12.462 1151 HH2 TRP 54 HH TRP 54 7.167 2.009 14.859 1152 H HIS 55 H HIS 55 1.630 -0.088 9.531 1153 HA HIS 55 HA HIS 55 0.781 -2.293 7.769 1154 1HB HIS 55 2HB HIS 55 0.506 0.621 7.081 1155 2HB HIS 55 1HB HIS 55 -0.386 -0.750 6.431 1156 HD1 HIS 55 1HD HIS 55 -1.805 -2.010 8.602 1157 HD2 HIS 55 2HD HIS 55 -1.052 2.070 8.712 1158 HE1 HIS 55 1HE HIS 55 -3.497 -1.058 10.199 1159 HE2 HIS 55 2HE HIS 55 -2.981 1.404 10.300 1160 H CYS 56 H CYS 56 2.118 -2.746 6.009 1161 HA CYS 56 HA CYS 56 4.350 -0.889 5.549 1162 1HB CYS 56 2HB CYS 56 5.144 -2.648 7.066 1163 2HB CYS 56 1HB CYS 56 4.662 -3.873 5.896 1164 HG CYS 56 HG CYS 56 6.539 -2.963 4.302 1165 H ILE 57 H ILE 57 5.415 -1.061 3.562 1166 HA ILE 57 HA ILE 57 4.266 -2.727 1.475 1167 HB ILE 57 HB ILE 57 4.318 0.288 1.233 1168 1HG1 ILE 57 2HG1 ILE 57 1.978 -1.623 1.417 1169 2HG1 ILE 57 1HG1 ILE 57 2.480 -0.483 2.662 1170 1HG2 ILE 57 1HG2 ILE 57 2.811 -1.051 -0.803 1171 2HG2 ILE 57 2HG2 ILE 57 4.448 -1.701 -0.750 1172 3HG2 ILE 57 3HG2 ILE 57 4.195 0.029 -0.968 1173 1HD1 ILE 57 1HD1 ILE 57 1.533 1.272 1.621 1174 2HD1 ILE 57 2HD1 ILE 57 0.537 0.010 0.896 1175 3HD1 ILE 57 3HD1 ILE 57 1.915 0.663 0.010 1176 H VAL 58 H VAL 58 5.723 -3.122 -0.196 1177 HA VAL 58 HA VAL 58 8.183 -1.581 -0.342 1178 HB VAL 58 HB VAL 58 8.258 -4.548 0.232 1179 1HG1 VAL 58 1HG1 VAL 58 10.052 -3.937 -1.239 1180 2HG1 VAL 58 2HG1 VAL 58 10.713 -4.174 0.379 1181 3HG1 VAL 58 3HG1 VAL 58 10.457 -2.542 -0.239 1182 1HG2 VAL 58 1HG2 VAL 58 7.749 -3.505 2.277 1183 2HG2 VAL 58 2HG2 VAL 58 8.834 -2.152 1.952 1184 3HG2 VAL 58 3HG2 VAL 58 9.495 -3.748 2.307 1185 H GLY 59 H GLY 59 8.921 -1.456 -2.363 1186 1HA GLY 59 2HA GLY 59 8.950 -3.440 -4.297 1187 2HA GLY 59 1HA GLY 59 7.428 -2.587 -4.499 1188 H ARG 60 H ARG 60 7.639 -1.342 -6.233 1189 HA ARG 60 HA ARG 60 9.274 0.943 -6.226 1190 1HB ARG 60 2HB ARG 60 10.826 0.387 -8.063 1191 2HB ARG 60 1HB ARG 60 11.117 -0.585 -6.627 1192 1HG ARG 60 2HG ARG 60 9.913 -2.452 -7.650 1193 2HG ARG 60 1HG ARG 60 9.630 -1.474 -9.091 1194 1HD ARG 60 2HD ARG 60 12.044 -1.300 -9.446 1195 2HD ARG 60 1HD ARG 60 12.328 -2.265 -7.998 1196 HE ARG 60 HE ARG 60 11.986 -4.120 -9.264 1197 1HH1 ARG 60 1HH1 ARG 60 10.395 -1.440 -10.840 1198 2HH1 ARG 60 2HH1 ARG 60 9.849 -2.391 -12.179 1199 1HH2 ARG 60 1HH2 ARG 60 11.274 -5.368 -11.029 1200 2HH2 ARG 60 2HH2 ARG 60 10.351 -4.619 -12.289 1201 H ASN 61 H ASN 61 6.581 0.257 -6.747 1202 HA ASN 61 HA ASN 61 5.970 1.858 -8.921 1203 1HB ASN 61 2HB ASN 61 6.940 -0.173 -10.134 1204 2HB ASN 61 1HB ASN 61 5.513 -1.047 -9.585 1205 1HD2 ASN 61 1HD2 ASN 61 6.813 1.141 -11.790 1206 2HD2 ASN 61 2HD2 ASN 61 5.384 1.447 -12.718 1207 H PHE 62 H PHE 62 4.671 2.429 -6.984 1208 HA PHE 62 HA PHE 62 2.033 1.311 -7.203 1209 1HB PHE 62 2HB PHE 62 1.848 0.522 -4.900 1210 2HB PHE 62 1HB PHE 62 3.107 -0.353 -5.762 1211 HD1 PHE 62 1HD PHE 62 2.656 2.563 -3.488 1212 HD2 PHE 62 2HD PHE 62 5.183 -0.601 -4.797 1213 HE1 PHE 62 1HE PHE 62 4.270 3.122 -1.719 1214 HE2 PHE 62 2HE PHE 62 6.798 -0.048 -3.028 1215 HZ PHE 62 HZ PHE 62 6.344 1.815 -1.485 1216 H GLY 63 H GLY 63 0.488 2.648 -6.554 1217 1HA GLY 63 2HA GLY 63 1.312 5.130 -5.172 1218 2HA GLY 63 1HA GLY 63 0.051 5.072 -6.400 1219 H SER 64 H SER 64 0.169 5.716 -3.332 1220 HA SER 64 HA SER 64 -2.363 4.394 -2.810 1221 1HB SER 64 2HB SER 64 0.041 3.911 -1.050 1222 2HB SER 64 1HB SER 64 -1.610 3.435 -0.657 1223 HG SER 64 HG SER 64 -0.211 1.800 -1.680 1224 H TYR 65 H TYR 65 -3.589 5.217 -1.202 1225 HA TYR 65 HA TYR 65 -2.686 7.720 0.067 1226 1HB TYR 65 2HB TYR 65 -4.419 8.029 -1.749 1227 2HB TYR 65 1HB TYR 65 -5.516 7.044 -0.789 1228 HD1 TYR 65 1HD TYR 65 -5.653 7.926 1.790 1229 HD2 TYR 65 2HD TYR 65 -4.729 10.292 -1.623 1230 HE1 TYR 65 1HE TYR 65 -6.400 9.937 2.989 1231 HE2 TYR 65 2HE TYR 65 -5.475 12.310 -0.432 1232 HH TYR 65 HH TYR 65 -7.301 12.239 2.334 1233 H VAL 66 H VAL 66 -2.917 7.739 2.281 1234 HA VAL 66 HA VAL 66 -4.736 5.862 3.570 1235 HB VAL 66 HB VAL 66 -1.783 5.758 4.183 1236 1HG1 VAL 66 1HG1 VAL 66 -4.186 4.340 5.208 1237 2HG1 VAL 66 2HG1 VAL 66 -2.818 5.012 6.089 1238 3HG1 VAL 66 3HG1 VAL 66 -2.637 3.507 5.188 1239 1HG2 VAL 66 1HG2 VAL 66 -1.822 3.527 3.085 1240 2HG2 VAL 66 2HG2 VAL 66 -2.061 4.872 1.970 1241 3HG2 VAL 66 3HG2 VAL 66 -3.438 3.898 2.484 1242 H THR 67 H THR 67 -4.640 6.058 5.980 1243 HA THR 67 HA THR 67 -3.833 8.753 6.865 1244 HB THR 67 HB THR 67 -6.339 7.207 7.591 1245 HG1 THR 67 1HG THR 67 -5.882 9.565 6.102 1246 1HG2 THR 67 1HG2 THR 67 -6.969 8.830 9.096 1247 2HG2 THR 67 2HG2 THR 67 -5.811 10.005 8.474 1248 3HG2 THR 67 3HG2 THR 67 -5.248 8.641 9.438 1249 H HIS 68 H HIS 68 -2.926 8.875 8.940 1250 HA HIS 68 HA HIS 68 -2.812 6.514 10.617 1251 1HB HIS 68 2HB HIS 68 -0.339 6.359 10.489 1252 2HB HIS 68 1HB HIS 68 -1.119 5.990 8.951 1253 HD1 HIS 68 1HD HIS 68 0.782 8.760 10.670 1254 HD2 HIS 68 2HD HIS 68 -0.450 7.652 6.860 1255 HE1 HIS 68 1HE HIS 68 1.875 10.394 9.110 1256 HE2 HIS 68 2HE HIS 68 1.020 9.780 6.825 1257 H GLU 69 H GLU 69 -2.110 6.905 12.674 1258 HA GLU 69 HA GLU 69 -2.428 9.462 13.745 1259 1HB GLU 69 2HB GLU 69 -2.759 7.476 15.077 1260 2HB GLU 69 1HB GLU 69 -1.082 7.002 14.864 1261 1HG GLU 69 2HG GLU 69 -1.471 7.904 17.075 1262 2HG GLU 69 1HG GLU 69 -0.357 8.919 16.163 1263 H THR 70 H THR 70 -0.934 10.896 14.717 1264 HA THR 70 HA THR 70 1.248 11.627 13.194 1265 HB THR 70 HB THR 70 1.939 13.005 15.164 1266 HG1 THR 70 1HG THR 70 1.173 11.449 16.738 1267 1HG2 THR 70 1HG2 THR 70 -0.153 13.439 13.554 1268 2HG2 THR 70 2HG2 THR 70 0.341 14.538 14.840 1269 3HG2 THR 70 3HG2 THR 70 -0.972 13.393 15.115 1270 H LYS 71 H LYS 71 3.453 11.453 13.374 1271 HA LYS 71 HA LYS 71 5.453 10.458 13.746 1272 1HB LYS 71 2HB LYS 71 4.161 10.142 16.438 1273 2HB LYS 71 1HB LYS 71 5.778 9.525 16.123 1274 1HG LYS 71 2HG LYS 71 5.744 11.764 17.174 1275 2HG LYS 71 1HG LYS 71 6.589 11.721 15.627 1276 1HD LYS 71 2HD LYS 71 4.602 12.629 14.525 1277 2HD LYS 71 1HD LYS 71 3.766 12.681 16.079 1278 1HE LYS 71 2HE LYS 71 5.461 14.237 16.925 1279 2HE LYS 71 1HE LYS 71 6.279 14.188 15.362 1280 1HZ LYS 71 1HZ LYS 71 3.828 14.866 14.605 1281 2HZ LYS 71 2HZ LYS 71 5.019 16.001 14.999 1282 3HZ LYS 71 3HZ LYS 71 3.847 15.575 16.142 1283 H HIS 72 H HIS 72 2.981 8.815 12.905 1284 HA HIS 72 HA HIS 72 4.245 6.190 13.362 1285 1HB HIS 72 2HB HIS 72 1.291 6.748 12.985 1286 2HB HIS 72 1HB HIS 72 2.017 5.159 13.173 1287 HD1 HIS 72 1HD HIS 72 0.007 5.446 15.149 1288 HD2 HIS 72 2HD HIS 72 3.716 7.207 15.770 1289 HE1 HIS 72 1HE HIS 72 0.154 5.852 17.624 1290 HE2 HIS 72 2HE HIS 72 2.369 7.002 17.963 1291 H PHE 73 H PHE 73 5.432 7.045 11.370 1292 HA PHE 73 HA PHE 73 4.622 5.633 9.115 1293 1HB PHE 73 2HB PHE 73 2.847 7.316 8.914 1294 2HB PHE 73 1HB PHE 73 4.052 8.597 8.906 1295 HD1 PHE 73 1HD PHE 73 5.841 8.452 7.008 1296 HD2 PHE 73 2HD PHE 73 2.078 6.466 6.923 1297 HE1 PHE 73 1HE PHE 73 5.994 8.276 4.560 1298 HE2 PHE 73 2HE PHE 73 2.224 6.288 4.474 1299 HZ PHE 73 HZ PHE 73 4.185 7.194 3.288 1300 H ILE 74 H ILE 74 6.160 5.614 7.485 1301 HA ILE 74 HA ILE 74 8.274 7.544 7.378 1302 HB ILE 74 HB ILE 74 9.043 6.270 9.317 1303 1HG1 ILE 74 2HG1 ILE 74 10.652 5.689 6.817 1304 2HG1 ILE 74 1HG1 ILE 74 10.721 7.173 7.763 1305 1HG2 ILE 74 1HG2 ILE 74 9.553 3.808 7.783 1306 2HG2 ILE 74 2HG2 ILE 74 7.869 4.120 8.206 1307 3HG2 ILE 74 3HG2 ILE 74 9.093 4.022 9.471 1308 1HD1 ILE 74 1HD1 ILE 74 12.380 5.021 8.036 1309 2HD1 ILE 74 2HD1 ILE 74 11.216 4.775 9.340 1310 3HD1 ILE 74 3HD1 ILE 74 12.125 6.283 9.241 1311 H TYR 75 H TYR 75 9.161 7.580 5.414 1312 HA TYR 75 HA TYR 75 8.849 5.235 3.662 1313 1HB TYR 75 2HB TYR 75 7.125 6.929 3.119 1314 2HB TYR 75 1HB TYR 75 8.392 8.126 2.874 1315 HD1 TYR 75 1HD TYR 75 7.819 4.610 1.721 1316 HD2 TYR 75 2HD TYR 75 8.701 8.631 0.656 1317 HE1 TYR 75 1HE TYR 75 7.974 3.944 -0.643 1318 HE2 TYR 75 2HE TYR 75 8.862 7.979 -1.709 1319 HH TYR 75 HH TYR 75 9.284 4.995 -2.767 1320 H PHE 76 H PHE 76 10.683 4.688 2.575 1321 HA PHE 76 HA PHE 76 12.700 6.593 1.898 1322 1HB PHE 76 2HB PHE 76 14.479 5.668 3.358 1323 2HB PHE 76 1HB PHE 76 13.195 6.458 4.266 1324 HD1 PHE 76 1HD PHE 76 11.193 4.694 4.864 1325 HD2 PHE 76 2HD PHE 76 15.303 3.758 4.279 1326 HE1 PHE 76 1HE PHE 76 10.920 2.661 6.218 1327 HE2 PHE 76 2HE PHE 76 15.035 1.722 5.632 1328 HZ PHE 76 HZ PHE 76 12.841 1.171 6.605 1329 H TYR 77 H TYR 77 13.940 5.874 0.280 1330 HA TYR 77 HA TYR 77 13.401 3.321 -0.882 1331 1HB TYR 77 2HB TYR 77 15.461 5.416 -1.598 1332 2HB TYR 77 1HB TYR 77 15.085 4.004 -2.574 1333 HD1 TYR 77 1HD TYR 77 12.432 3.769 -3.047 1334 HD2 TYR 77 2HD TYR 77 14.501 7.401 -2.252 1335 HE1 TYR 77 1HE TYR 77 10.653 5.026 -4.188 1336 HE2 TYR 77 2HE TYR 77 12.727 8.668 -3.388 1337 HH TYR 77 HH TYR 77 10.633 7.461 -5.440 1338 H LEU 78 H LEU 78 14.801 1.576 -1.158 1339 HA LEU 78 HA LEU 78 17.450 1.498 -0.161 1340 1HB LEU 78 2HB LEU 78 16.277 1.560 1.990 1341 2HB LEU 78 1HB LEU 78 15.344 0.152 1.527 1342 HG LEU 78 HG LEU 78 17.382 -1.207 1.489 1343 1HD1 LEU 78 1HD1 LEU 78 19.264 -0.068 1.061 1344 2HD1 LEU 78 2HD1 LEU 78 19.311 0.180 2.807 1345 3HD1 LEU 78 3HD1 LEU 78 18.640 1.428 1.757 1346 1HD2 LEU 78 1HD2 LEU 78 16.430 0.217 3.889 1347 2HD2 LEU 78 2HD2 LEU 78 17.966 -0.636 4.053 1348 3HD2 LEU 78 3HD2 LEU 78 16.519 -1.512 3.552 1349 H GLY 79 H GLY 79 18.533 -0.294 -0.865 1350 1HA GLY 79 2HA GLY 79 18.937 -2.156 -2.143 1351 2HA GLY 79 1HA GLY 79 17.496 -2.816 -1.385 1352 H GLN 80 H GLN 80 17.776 -0.042 -3.556 1353 HA GLN 80 HA GLN 80 16.733 0.456 -5.507 1354 1HB GLN 80 2HB GLN 80 17.137 -2.498 -6.003 1355 2HB GLN 80 1HB GLN 80 16.732 -1.311 -7.234 1356 1HG GLN 80 2HG GLN 80 19.247 -1.354 -5.583 1357 2HG GLN 80 1HG GLN 80 19.099 -1.857 -7.267 1358 1HE2 GLN 80 1HE2 GLN 80 20.095 0.572 -5.343 1359 2HE2 GLN 80 2HE2 GLN 80 19.934 1.906 -6.428 1360 H VAL 81 H VAL 81 15.042 -0.100 -3.293 1361 HA VAL 81 HA VAL 81 12.573 -0.551 -4.712 1362 HB VAL 81 HB VAL 81 11.735 -2.298 -3.183 1363 1HG1 VAL 81 1HG1 VAL 81 12.839 -4.159 -4.224 1364 2HG1 VAL 81 2HG1 VAL 81 14.250 -3.169 -4.599 1365 3HG1 VAL 81 3HG1 VAL 81 12.710 -2.852 -5.399 1366 1HG2 VAL 81 1HG2 VAL 81 13.328 -1.800 -1.331 1367 2HG2 VAL 81 2HG2 VAL 81 14.593 -2.588 -2.271 1368 3HG2 VAL 81 3HG2 VAL 81 13.196 -3.514 -1.722 1369 H ALA 82 H ALA 82 10.975 0.644 -3.864 1370 HA ALA 82 HA ALA 82 11.559 2.452 -1.751 1371 1HB ALA 82 1HB ALA 82 10.154 3.209 -3.509 1372 2HB ALA 82 2HB ALA 82 9.162 3.138 -2.053 1373 3HB ALA 82 3HB ALA 82 9.028 1.871 -3.273 1374 H ILE 83 H ILE 83 11.285 2.226 0.362 1375 HA ILE 83 HA ILE 83 9.663 -0.026 1.334 1376 HB ILE 83 HB ILE 83 11.850 1.503 2.755 1377 1HG1 ILE 83 2HG1 ILE 83 11.775 -1.293 1.601 1378 2HG1 ILE 83 1HG1 ILE 83 12.723 0.060 0.993 1379 1HG2 ILE 83 1HG2 ILE 83 10.112 0.712 4.290 1380 2HG2 ILE 83 2HG2 ILE 83 11.626 -0.160 4.521 1381 3HG2 ILE 83 3HG2 ILE 83 10.294 -0.922 3.651 1382 1HD1 ILE 83 1HD1 ILE 83 14.016 0.081 3.062 1383 2HD1 ILE 83 2HD1 ILE 83 14.105 -1.482 2.250 1384 3HD1 ILE 83 3HD1 ILE 83 13.069 -1.280 3.665 1385 H LEU 84 H LEU 84 8.094 0.286 2.897 1386 HA LEU 84 HA LEU 84 7.602 3.005 3.839 1387 1HB LEU 84 2HB LEU 84 6.312 2.837 1.785 1388 2HB LEU 84 1HB LEU 84 5.570 1.351 2.346 1389 HG LEU 84 HG LEU 84 4.476 2.606 4.174 1390 1HD1 LEU 84 1HD1 LEU 84 4.710 4.850 4.519 1391 2HD1 LEU 84 2HD1 LEU 84 5.157 5.176 2.845 1392 3HD1 LEU 84 3HD1 LEU 84 6.333 4.463 3.949 1393 1HD2 LEU 84 1HD2 LEU 84 3.692 4.135 1.775 1394 2HD2 LEU 84 2HD2 LEU 84 2.718 3.151 2.867 1395 3HD2 LEU 84 3HD2 LEU 84 3.691 2.378 1.614 1396 H LEU 85 H LEU 85 6.542 3.137 5.773 1397 HA LEU 85 HA LEU 85 5.303 0.833 6.979 1398 1HB LEU 85 2HB LEU 85 7.679 0.390 7.408 1399 2HB LEU 85 1HB LEU 85 7.844 1.971 8.151 1400 HG LEU 85 HG LEU 85 6.295 1.294 9.938 1401 1HD1 LEU 85 1HD1 LEU 85 4.856 -0.290 9.092 1402 2HD1 LEU 85 2HD1 LEU 85 5.959 -1.290 10.037 1403 3HD1 LEU 85 3HD1 LEU 85 6.145 -1.187 8.287 1404 1HD2 LEU 85 1HD2 LEU 85 7.838 -0.683 10.764 1405 2HD2 LEU 85 2HD2 LEU 85 8.435 0.976 10.670 1406 3HD2 LEU 85 3HD2 LEU 85 8.820 -0.175 9.390 1407 H PHE 86 H PHE 86 3.913 1.397 8.619 1408 HA PHE 86 HA PHE 86 4.031 3.814 10.071 1409 1HB PHE 86 2HB PHE 86 2.123 4.993 9.052 1410 2HB PHE 86 1HB PHE 86 3.460 4.833 7.920 1411 HD1 PHE 86 1HD PHE 86 3.334 2.738 6.344 1412 HD2 PHE 86 2HD PHE 86 0.007 4.460 8.362 1413 HE1 PHE 86 1HE PHE 86 1.813 1.712 4.704 1414 HE2 PHE 86 2HE PHE 86 -1.517 3.438 6.731 1415 HZ PHE 86 HZ PHE 86 -0.618 2.064 4.894 1416 H LYS 87 H LYS 87 2.867 3.531 11.880 1417 HA LYS 87 HA LYS 87 0.905 1.361 11.877 1418 1HB LYS 87 2HB LYS 87 1.138 1.303 14.300 1419 2HB LYS 87 1HB LYS 87 2.700 1.145 13.517 1420 1HG LYS 87 2HG LYS 87 3.319 3.352 14.089 1421 2HG LYS 87 1HG LYS 87 1.671 3.756 14.580 1422 1HD LYS 87 2HD LYS 87 1.809 2.260 16.459 1423 2HD LYS 87 1HD LYS 87 3.380 1.669 15.928 1424 1HE LYS 87 2HE LYS 87 4.326 3.901 16.262 1425 2HE LYS 87 1HE LYS 87 2.752 4.478 16.804 1426 1HZ LYS 87 1HZ LYS 87 2.999 2.537 18.496 1427 2HZ LYS 87 2HZ LYS 87 3.767 4.015 18.783 1428 3HZ LYS 87 3HZ LYS 87 4.649 2.708 18.170 1429 H SER 88 H SER 88 -0.909 1.661 13.519 1430 HA SER 88 HA SER 88 -1.886 4.408 13.646 1431 1HB SER 88 2HB SER 88 -3.430 2.153 12.342 1432 2HB SER 88 1HB SER 88 -4.075 3.758 12.691 1433 HG SER 88 HG SER 88 -2.325 4.561 11.327 1434 H GLY 89 H GLY 89 -3.202 4.807 15.350 1435 1HA GLY 89 2HA GLY 89 -4.692 2.901 16.781 1436 2HA GLY 89 1HA GLY 89 -3.127 3.081 17.563 1437 1H MET 1 1HT MET 1 -10.918 -10.469 12.739 1438 2H MET 1 2HT MET 1 -9.722 -11.697 12.831 1439 3H MET 1 3HT MET 1 -10.564 -11.424 11.361 1440 HA MET 1 HA MET 1 -9.496 -9.471 10.943 1441 1HB MET 1 2HB MET 1 -9.849 -8.516 13.168 1442 2HB MET 1 1HB MET 1 -8.610 -9.569 13.836 1443 1HG MET 1 2HG MET 1 -6.927 -8.463 12.446 1444 2HG MET 1 1HG MET 1 -8.171 -7.401 11.795 1445 1HE MET 1 1HE MET 1 -7.948 -8.536 15.657 1446 2HE MET 1 2HE MET 1 -6.692 -7.402 16.155 1447 3HE MET 1 3HE MET 1 -6.340 -8.628 14.937 1448 H LYS 2 H LYS 2 -7.621 -9.571 9.827 1449 HA LYS 2 HA LYS 2 -5.345 -11.027 10.787 1450 1HB LYS 2 2HB LYS 2 -6.973 -12.126 8.504 1451 2HB LYS 2 1HB LYS 2 -5.279 -12.535 8.743 1452 1HG LYS 2 2HG LYS 2 -5.881 -13.365 11.016 1453 2HG LYS 2 1HG LYS 2 -7.575 -13.117 10.591 1454 1HD LYS 2 2HD LYS 2 -7.400 -14.685 8.772 1455 2HD LYS 2 1HD LYS 2 -5.663 -14.855 9.041 1456 1HE LYS 2 2HE LYS 2 -7.828 -15.613 10.995 1457 2HE LYS 2 1HE LYS 2 -6.932 -16.735 9.972 1458 1HZ LYS 2 1HZ LYS 2 -5.823 -15.034 12.136 1459 2HZ LYS 2 2HZ LYS 2 -4.886 -15.978 11.092 1460 3HZ LYS 2 3HZ LYS 2 -5.976 -16.719 12.151 1461 H ASP 3 H ASP 3 -3.482 -10.722 9.589 1462 HA ASP 3 HA ASP 3 -3.410 -8.237 8.195 1463 1HB ASP 3 2HB ASP 3 -0.979 -8.704 7.976 1464 2HB ASP 3 1HB ASP 3 -1.566 -8.838 9.630 1465 H THR 4 H THR 4 -3.651 -7.870 6.088 1466 HA THR 4 HA THR 4 -3.996 -10.043 4.256 1467 HB THR 4 HB THR 4 -5.315 -7.952 4.128 1468 HG1 THR 4 1HG THR 4 -4.740 -9.292 2.219 1469 1HG2 THR 4 1HG2 THR 4 -3.206 -6.510 4.638 1470 2HG2 THR 4 2HG2 THR 4 -4.488 -5.891 3.598 1471 3HG2 THR 4 3HG2 THR 4 -3.012 -6.544 2.886 1472 H GLY 5 H GLY 5 -2.561 -10.861 2.839 1473 1HA GLY 5 2HA GLY 5 0.034 -9.468 2.570 1474 2HA GLY 5 1HA GLY 5 -0.077 -11.213 2.760 1475 H ILE 6 H ILE 6 0.520 -8.932 0.543 1476 HA ILE 6 HA ILE 6 -0.032 -10.717 -1.642 1477 HB ILE 6 HB ILE 6 -1.313 -8.925 -2.926 1478 1HG1 ILE 6 2HG1 ILE 6 -2.729 -7.449 -1.487 1479 2HG1 ILE 6 1HG1 ILE 6 -1.751 -7.931 -0.106 1480 1HG2 ILE 6 1HG2 ILE 6 -2.883 -10.084 -0.649 1481 2HG2 ILE 6 2HG2 ILE 6 -2.212 -11.093 -1.931 1482 3HG2 ILE 6 3HG2 ILE 6 -3.385 -9.834 -2.322 1483 1HD1 ILE 6 1HD1 ILE 6 -1.296 -5.727 -1.535 1484 2HD1 ILE 6 2HD1 ILE 6 -0.293 -6.864 -2.435 1485 3HD1 ILE 6 3HD1 ILE 6 -0.021 -6.623 -0.709 1486 H GLN 7 H GLN 7 0.872 -10.055 -3.640 1487 HA GLN 7 HA GLN 7 2.504 -7.653 -3.658 1488 1HB GLN 7 2HB GLN 7 4.547 -8.837 -4.277 1489 2HB GLN 7 1HB GLN 7 3.987 -9.365 -2.696 1490 1HG GLN 7 2HG GLN 7 3.032 -11.375 -3.707 1491 2HG GLN 7 1HG GLN 7 3.602 -10.846 -5.288 1492 1HE2 GLN 7 1HE2 GLN 7 4.243 -12.930 -2.925 1493 2HE2 GLN 7 2HE2 GLN 7 5.960 -13.061 -3.066 1494 H VAL 8 H VAL 8 2.075 -6.678 -5.501 1495 HA VAL 8 HA VAL 8 0.924 -8.128 -7.711 1496 HB VAL 8 HB VAL 8 1.700 -5.211 -7.588 1497 1HG1 VAL 8 1HG1 VAL 8 -0.258 -5.181 -9.311 1498 2HG1 VAL 8 2HG1 VAL 8 0.156 -6.883 -9.521 1499 3HG1 VAL 8 3HG1 VAL 8 1.365 -5.637 -9.830 1500 1HG2 VAL 8 1HG2 VAL 8 -0.264 -4.697 -6.579 1501 2HG2 VAL 8 2HG2 VAL 8 -0.071 -6.322 -5.917 1502 3HG2 VAL 8 3HG2 VAL 8 -1.120 -6.055 -7.310 1503 H ASP 9 H ASP 9 1.840 -8.595 -9.639 1504 HA ASP 9 HA ASP 9 4.413 -7.542 -10.405 1505 1HB ASP 9 1HB ASP 9 5.495 -9.762 -10.605 1506 2HB ASP 9 2HB ASP 9 4.105 -10.500 -9.819 1507 H ARG 10 H ARG 10 1.877 -7.343 -11.549 1508 HA ARG 10 HA ARG 10 1.463 -9.285 -13.591 1509 1HB ARG 10 2HB ARG 10 0.439 -6.449 -13.370 1510 2HB ARG 10 1HB ARG 10 -0.145 -7.652 -14.511 1511 1HG ARG 10 2HG ARG 10 -0.908 -9.045 -12.657 1512 2HG ARG 10 1HG ARG 10 -0.315 -7.843 -11.509 1513 1HD ARG 10 2HD ARG 10 -2.718 -7.616 -11.849 1514 2HD ARG 10 1HD ARG 10 -1.859 -6.192 -12.438 1515 HE ARG 10 HE ARG 10 -2.194 -7.973 -14.571 1516 1HH1 ARG 10 1HH1 ARG 10 -4.115 -5.926 -12.495 1517 2HH1 ARG 10 2HH1 ARG 10 -5.350 -5.671 -13.681 1518 1HH2 ARG 10 1HH2 ARG 10 -3.818 -7.637 -16.132 1519 2HH2 ARG 10 2HH2 ARG 10 -5.181 -6.642 -15.746 1520 H ASP 11 H ASP 11 2.345 -9.465 -15.548 1521 HA ASP 11 HA ASP 11 4.405 -7.596 -16.343 1522 1HB ASP 11 2HB ASP 11 3.399 -10.099 -17.713 1523 2HB ASP 11 1HB ASP 11 4.815 -9.167 -18.193 1524 H LEU 12 H LEU 12 2.310 -6.073 -16.366 1525 HA LEU 12 HA LEU 12 0.627 -6.092 -18.603 1526 1HB LEU 12 2HB LEU 12 0.253 -4.741 -16.570 1527 2HB LEU 12 1HB LEU 12 1.604 -3.721 -17.017 1528 HG LEU 12 HG LEU 12 0.395 -3.021 -19.049 1529 1HD1 LEU 12 1HD1 LEU 12 -1.938 -4.539 -17.896 1530 2HD1 LEU 12 2HD1 LEU 12 -0.966 -5.085 -19.263 1531 3HD1 LEU 12 3HD1 LEU 12 -1.906 -3.599 -19.389 1532 1HD2 LEU 12 1HD2 LEU 12 -1.290 -1.646 -17.911 1533 2HD2 LEU 12 2HD2 LEU 12 0.241 -1.670 -17.035 1534 3HD2 LEU 12 3HD2 LEU 12 -1.117 -2.642 -16.467 1535 H ASP 13 H ASP 13 3.937 -5.131 -18.245 1536 HA ASP 13 HA ASP 13 5.494 -4.373 -19.720 1537 1HB ASP 13 2HB ASP 13 3.405 -5.307 -21.689 1538 2HB ASP 13 1HB ASP 13 4.966 -4.664 -22.189 1539 H GLY 14 H GLY 14 6.100 -2.364 -20.301 1540 1HA GLY 14 2HA GLY 14 4.308 -0.209 -20.064 1541 2HA GLY 14 1HA GLY 14 5.938 -0.110 -20.713 1542 H LYS 15 H LYS 15 5.962 -1.392 -22.998 1543 HA LYS 15 HA LYS 15 4.307 0.228 -24.698 1544 1HB LYS 15 2HB LYS 15 6.256 -1.983 -25.374 1545 2HB LYS 15 1HB LYS 15 5.497 -0.910 -26.543 1546 1HG LYS 15 2HG LYS 15 6.602 1.006 -25.497 1547 2HG LYS 15 1HG LYS 15 7.372 -0.078 -24.338 1548 1HD LYS 15 2HD LYS 15 7.735 -0.150 -27.333 1549 2HD LYS 15 1HD LYS 15 8.888 0.507 -26.171 1550 1HE LYS 15 2HE LYS 15 7.958 -2.360 -26.326 1551 2HE LYS 15 1HE LYS 15 9.520 -1.746 -26.868 1552 1HZ LYS 15 1HZ LYS 15 8.511 -1.755 -24.074 1553 2HZ LYS 15 2HZ LYS 15 9.978 -1.073 -24.569 1554 3HZ LYS 15 3HZ LYS 15 9.733 -2.741 -24.704 1555 H SER 16 H SER 16 2.459 -0.319 -25.700 1556 HA SER 16 HA SER 16 0.583 -1.493 -26.238 1557 1HB SER 16 2HB SER 16 2.562 -3.774 -26.479 1558 2HB SER 16 1HB SER 16 0.917 -3.779 -27.118 1559 HG SER 16 HG SER 16 3.165 -2.342 -27.980 1560 H HIS 17 H HIS 17 0.780 -1.090 -23.589 1561 HA HIS 17 HA HIS 17 0.833 -3.247 -21.866 1562 1HB HIS 17 2HB HIS 17 -0.580 -1.881 -20.361 1563 2HB HIS 17 1HB HIS 17 0.751 -0.963 -21.055 1564 HD1 HIS 17 1HD HIS 17 -2.885 -1.605 -22.023 1565 HD2 HIS 17 2HD HIS 17 -0.090 1.466 -21.852 1566 HE1 HIS 17 1HE HIS 17 -4.101 0.454 -22.801 1567 HE2 HIS 17 2HE HIS 17 -2.413 2.316 -22.608 1568 H LYS 18 H LYS 18 -0.535 -4.832 -21.270 1569 HA LYS 18 HA LYS 18 -2.562 -5.673 -23.014 1570 1HB LYS 18 2HB LYS 18 -2.089 -6.459 -20.131 1571 2HB LYS 18 1HB LYS 18 -3.115 -7.327 -21.264 1572 1HG LYS 18 2HG LYS 18 -0.143 -6.925 -21.525 1573 2HG LYS 18 1HG LYS 18 -0.954 -8.410 -21.020 1574 1HD LYS 18 2HD LYS 18 -2.066 -8.537 -23.200 1575 2HD LYS 18 1HD LYS 18 -1.248 -7.055 -23.702 1576 1HE LYS 18 2HE LYS 18 0.917 -8.163 -23.433 1577 2HE LYS 18 1HE LYS 18 0.099 -9.642 -22.931 1578 1HZ LYS 18 1HZ LYS 18 0.593 -8.658 -25.558 1579 2HZ LYS 18 2HZ LYS 18 -1.054 -8.968 -25.328 1580 3HZ LYS 18 3HZ LYS 18 0.081 -10.195 -25.067 1581 1H MET 1 1HT MET 1 -2.581 11.993 14.368 1582 2H MET 1 2HT MET 1 -3.745 13.171 13.920 1583 3H MET 1 3HT MET 1 -2.130 13.301 13.358 1584 HA MET 1 HA MET 1 -2.603 10.978 12.396 1585 1HB MET 1 2HB MET 1 -4.807 10.804 13.450 1586 2HB MET 1 1HB MET 1 -5.334 12.261 12.619 1587 1HG MET 1 2HG MET 1 -5.089 11.130 10.473 1588 2HG MET 1 1HG MET 1 -4.548 9.672 11.300 1589 1HE MET 1 1HE MET 1 -6.470 9.707 13.877 1590 2HE MET 1 2HE MET 1 -6.089 8.257 12.948 1591 3HE MET 1 3HE MET 1 -7.769 8.661 13.305 1592 H LYS 2 H LYS 2 -2.275 11.061 10.211 1593 HA LYS 2 HA LYS 2 -3.067 13.401 8.699 1594 1HB LYS 2 2HB LYS 2 -0.149 12.672 9.018 1595 2HB LYS 2 1HB LYS 2 -0.781 13.858 7.886 1596 1HG LYS 2 2HG LYS 2 -1.563 15.236 9.719 1597 2HG LYS 2 1HG LYS 2 -1.019 14.027 10.881 1598 1HD LYS 2 2HD LYS 2 0.604 15.801 10.780 1599 2HD LYS 2 1HD LYS 2 1.300 14.349 10.060 1600 1HE LYS 2 2HE LYS 2 0.001 16.531 8.442 1601 2HE LYS 2 1HE LYS 2 1.719 16.517 8.829 1602 1HZ LYS 2 1HZ LYS 2 0.309 15.060 6.828 1603 2HZ LYS 2 2HZ LYS 2 1.208 14.023 7.819 1604 3HZ LYS 2 3HZ LYS 2 1.974 15.296 7.013 1605 H ASP 3 H ASP 3 -3.470 12.961 6.640 1606 HA ASP 3 HA ASP 3 -3.390 10.243 5.773 1607 1HB ASP 3 2HB ASP 3 -4.405 11.183 3.679 1608 2HB ASP 3 1HB ASP 3 -5.281 11.582 5.154 1609 H THR 4 H THR 4 -1.751 9.249 4.808 1610 HA THR 4 HA THR 4 0.423 10.806 3.665 1611 HB THR 4 HB THR 4 0.888 8.870 5.165 1612 HG1 THR 4 1HG THR 4 2.326 9.570 3.404 1613 1HG2 THR 4 1HG2 THR 4 -1.003 7.517 3.715 1614 2HG2 THR 4 2HG2 THR 4 0.154 6.802 4.839 1615 3HG2 THR 4 3HG2 THR 4 0.517 6.855 3.113 1616 H GLY 5 H GLY 5 1.158 10.546 1.520 1617 1HA GLY 5 2HA GLY 5 -0.452 8.975 -0.325 1618 2HA GLY 5 1HA GLY 5 -0.528 10.719 -0.544 1619 H ILE 6 H ILE 6 0.798 8.154 -1.879 1620 HA ILE 6 HA ILE 6 2.964 9.665 -3.011 1621 HB ILE 6 HB ILE 6 4.658 7.831 -2.487 1622 1HG1 ILE 6 2HG1 ILE 6 4.278 6.777 -0.220 1623 2HG1 ILE 6 1HG1 ILE 6 2.598 7.288 -0.347 1624 1HG2 ILE 6 1HG2 ILE 6 4.513 10.205 -1.550 1625 2HG2 ILE 6 2HG2 ILE 6 5.495 9.035 -0.669 1626 3HG2 ILE 6 3HG2 ILE 6 3.883 9.450 -0.086 1627 1HD1 ILE 6 1HD1 ILE 6 3.561 5.803 -2.666 1628 2HD1 ILE 6 2HD1 ILE 6 2.080 5.618 -1.727 1629 3HD1 ILE 6 3HD1 ILE 6 3.583 4.890 -1.157 1630 H GLN 7 H GLN 7 3.680 8.902 -4.948 1631 HA GLN 7 HA GLN 7 2.390 6.453 -5.950 1632 1HB GLN 7 2HB GLN 7 2.404 7.553 -8.196 1633 2HB GLN 7 1HB GLN 7 1.346 8.323 -7.022 1634 1HG GLN 7 2HG GLN 7 3.057 10.034 -6.623 1635 2HG GLN 7 1HG GLN 7 4.082 9.275 -7.839 1636 1HE2 GLN 7 1HE2 GLN 7 4.035 10.254 -9.718 1637 2HE2 GLN 7 2HE2 GLN 7 2.689 11.090 -10.406 1638 H VAL 8 H VAL 8 4.228 5.228 -5.372 1639 HA VAL 8 HA VAL 8 6.853 5.860 -6.247 1640 HB VAL 8 HB VAL 8 5.747 3.155 -5.479 1641 1HG1 VAL 8 1HG1 VAL 8 8.012 2.512 -5.052 1642 2HG1 VAL 8 2HG1 VAL 8 8.592 4.144 -5.382 1643 3HG1 VAL 8 3HG1 VAL 8 7.929 3.161 -6.688 1644 1HG2 VAL 8 1HG2 VAL 8 5.352 4.330 -3.560 1645 2HG2 VAL 8 2HG2 VAL 8 6.636 5.496 -3.878 1646 3HG2 VAL 8 3HG2 VAL 8 7.037 3.882 -3.292 1647 H ASP 9 H ASP 9 8.040 5.106 -7.965 1648 HA ASP 9 HA ASP 9 7.019 3.203 -9.841 1649 1HB ASP 9 2HB ASP 9 5.683 5.146 -10.509 1650 2HB ASP 9 1HB ASP 9 7.147 6.110 -10.676 1651 H ARG 10 H ARG 10 8.674 2.240 -10.837 1652 HA ARG 10 HA ARG 10 11.343 2.916 -10.224 1653 1HB ARG 10 2HB ARG 10 10.596 0.624 -10.745 1654 2HB ARG 10 1HB ARG 10 10.292 1.104 -12.407 1655 1HG ARG 10 2HG ARG 10 12.386 -0.078 -12.254 1656 2HG ARG 10 1HG ARG 10 12.678 1.610 -12.683 1657 1HD ARG 10 2HD ARG 10 13.210 2.103 -10.340 1658 2HD ARG 10 1HD ARG 10 12.939 0.411 -9.926 1659 HE ARG 10 HE ARG 10 15.301 1.525 -11.013 1660 1HH1 ARG 10 1HH1 ARG 10 13.302 -1.336 -11.144 1661 2HH1 ARG 10 2HH1 ARG 10 14.594 -2.366 -11.659 1662 1HH2 ARG 10 1HH2 ARG 10 17.001 0.168 -11.686 1663 2HH2 ARG 10 2HH2 ARG 10 16.692 -1.514 -11.966 1664 H ASP 11 H ASP 11 12.849 4.104 -11.280 1665 HA ASP 11 HA ASP 11 12.854 4.688 -14.019 1666 1HB ASP 11 2HB ASP 11 12.195 7.049 -14.018 1667 2HB ASP 11 1HB ASP 11 10.858 6.024 -13.506 1668 H LEU 12 H LEU 12 14.769 3.903 -12.161 1669 HA LEU 12 HA LEU 12 16.407 6.239 -11.588 1670 1HB LEU 12 2HB LEU 12 16.809 3.307 -10.999 1671 2HB LEU 12 1HB LEU 12 17.963 4.557 -10.573 1672 HG LEU 12 HG LEU 12 16.261 5.611 -9.123 1673 1HD1 LEU 12 1HD1 LEU 12 14.165 5.098 -9.849 1674 2HD1 LEU 12 2HD1 LEU 12 14.333 3.893 -8.573 1675 3HD1 LEU 12 3HD1 LEU 12 14.593 3.436 -10.256 1676 1HD2 LEU 12 1HD2 LEU 12 16.187 3.733 -7.428 1677 2HD2 LEU 12 2HD2 LEU 12 17.783 4.182 -8.026 1678 3HD2 LEU 12 3HD2 LEU 12 16.986 2.734 -8.642 1679 H ASP 13 H ASP 13 15.987 5.833 -14.312 1680 HA ASP 13 HA ASP 13 18.122 4.389 -15.520 1681 1HB ASP 13 2HB ASP 13 16.371 6.577 -16.662 1682 2HB ASP 13 1HB ASP 13 17.416 5.509 -17.597 1683 H GLY 14 H GLY 14 20.094 5.064 -16.230 1684 1HA GLY 14 2HA GLY 14 21.401 7.163 -14.947 1685 2HA GLY 14 1HA GLY 14 21.974 6.371 -16.408 1686 H LYS 15 H LYS 15 19.724 7.103 -18.036 1687 HA LYS 15 HA LYS 15 19.535 9.977 -18.038 1688 1HB LYS 15 2HB LYS 15 21.043 8.573 -20.252 1689 2HB LYS 15 1HB LYS 15 20.537 10.256 -20.285 1690 1HG LYS 15 2HG LYS 15 21.955 10.702 -18.328 1691 2HG LYS 15 1HG LYS 15 22.492 9.020 -18.356 1692 1HD LYS 15 2HD LYS 15 23.411 9.350 -20.598 1693 2HD LYS 15 1HD LYS 15 22.866 11.029 -20.577 1694 1HE LYS 15 2HE LYS 15 25.241 10.868 -20.042 1695 2HE LYS 15 1HE LYS 15 24.321 11.480 -18.669 1696 1HZ LYS 15 1HZ LYS 15 26.085 9.647 -18.310 1697 2HZ LYS 15 2HZ LYS 15 24.885 8.601 -18.879 1698 3HZ LYS 15 3HZ LYS 15 24.603 9.538 -17.499 1699 H SER 16 H SER 16 17.733 10.652 -19.076 1700 HA SER 16 HA SER 16 15.749 10.580 -20.183 1701 1HB SER 16 2HB SER 16 17.099 10.066 -22.162 1702 2HB SER 16 1HB SER 16 17.076 8.353 -21.747 1703 HG SER 16 HG SER 16 15.002 8.219 -22.321 1704 H HIS 17 H HIS 17 13.810 9.757 -19.657 1705 HA HIS 17 HA HIS 17 13.589 7.695 -17.774 1706 1HB HIS 17 2HB HIS 17 11.455 8.862 -19.573 1707 2HB HIS 17 1HB HIS 17 11.152 7.874 -18.147 1708 HD1 HIS 17 1HD HIS 17 9.800 10.358 -17.802 1709 HD2 HIS 17 2HD HIS 17 13.888 10.138 -17.093 1710 HE1 HIS 17 1HE HIS 17 10.333 12.326 -16.331 1711 HE2 HIS 17 2HE HIS 17 12.798 12.123 -15.844 1712 H LYS 18 H LYS 18 13.143 5.555 -17.903 1713 HA LYS 18 HA LYS 18 13.817 4.116 -20.194 1714 1HB LYS 18 2HB LYS 18 13.932 3.170 -17.944 1715 2HB LYS 18 1HB LYS 18 12.181 3.252 -17.802 1716 1HG LYS 18 2HG LYS 18 11.957 1.648 -19.627 1717 2HG LYS 18 1HG LYS 18 13.715 1.563 -19.763 1718 1HD LYS 18 2HD LYS 18 13.852 0.719 -17.471 1719 2HD LYS 18 1HD LYS 18 12.095 0.807 -17.332 1720 1HE LYS 18 2HE LYS 18 11.871 -0.814 -19.151 1721 2HE LYS 18 1HE LYS 18 13.627 -0.903 -19.289 1722 1HZ LYS 18 1HZ LYS 18 13.325 -2.647 -17.918 1723 2HZ LYS 18 2HZ LYS 18 11.861 -2.072 -17.296 1724 3HZ LYS 18 3HZ LYS 18 13.326 -1.456 -16.715 Start of MODEL 4 1 1H MET 1 1HT MET 1 -15.100 3.100 -21.495 2 2H MET 1 2HT MET 1 -15.956 4.583 -21.564 3 3H MET 1 3HT MET 1 -16.213 3.384 -22.766 4 HA MET 1 HA MET 1 -17.187 3.568 -20.045 5 1HB MET 1 2HB MET 1 -18.237 2.549 -22.690 6 2HB MET 1 1HB MET 1 -19.145 2.467 -21.189 7 1HG MET 1 2HG MET 1 -19.926 4.352 -22.378 8 2HG MET 1 1HG MET 1 -18.956 4.953 -21.036 9 1HE MET 1 1HE MET 1 -19.060 4.187 -24.853 10 2HE MET 1 2HE MET 1 -17.550 3.394 -24.404 11 3HE MET 1 3HE MET 1 -17.520 4.835 -25.420 12 H CYS 2 H CYS 2 -14.956 2.085 -19.874 13 HA CYS 2 HA CYS 2 -15.173 -0.650 -20.438 14 1HB CYS 2 2HB CYS 2 -13.664 0.710 -18.196 15 2HB CYS 2 1HB CYS 2 -13.412 -0.948 -18.733 16 HG CYS 2 HG CYS 2 -12.899 1.314 -20.777 17 H ASP 3 H ASP 3 -16.165 -2.314 -19.459 18 HA ASP 3 HA ASP 3 -18.259 -1.868 -17.642 19 1HB ASP 3 2HB ASP 3 -16.856 -4.456 -18.337 20 2HB ASP 3 1HB ASP 3 -18.403 -4.331 -17.504 21 H ARG 4 H ARG 4 -18.437 -2.081 -15.462 22 HA ARG 4 HA ARG 4 -16.033 -1.909 -13.912 23 1HB ARG 4 2HB ARG 4 -18.945 -2.015 -13.116 24 2HB ARG 4 1HB ARG 4 -17.630 -1.813 -11.970 25 1HG ARG 4 2HG ARG 4 -18.613 0.323 -12.456 26 2HG ARG 4 1HG ARG 4 -16.979 0.264 -13.118 27 1HD ARG 4 2HD ARG 4 -18.593 1.312 -14.656 28 2HD ARG 4 1HD ARG 4 -17.850 -0.133 -15.337 29 HE ARG 4 HE ARG 4 -20.249 -0.866 -14.092 30 1HH1 ARG 4 1HH1 ARG 4 -19.145 0.973 -16.844 31 2HH1 ARG 4 2HH1 ARG 4 -20.574 0.676 -17.773 32 1HH2 ARG 4 1HH2 ARG 4 -22.131 -1.259 -15.314 33 2HH2 ARG 4 2HH2 ARG 4 -22.271 -0.590 -16.906 34 H LYS 5 H LYS 5 -15.785 -4.300 -15.097 35 HA LYS 5 HA LYS 5 -16.906 -6.448 -13.592 36 1HB LYS 5 2HB LYS 5 -16.255 -6.759 -15.918 37 2HB LYS 5 1HB LYS 5 -14.583 -6.394 -15.524 38 1HG LYS 5 2HG LYS 5 -14.925 -8.784 -15.793 39 2HG LYS 5 1HG LYS 5 -14.459 -8.394 -14.136 40 1HD LYS 5 2HD LYS 5 -16.259 -10.041 -14.172 41 2HD LYS 5 1HD LYS 5 -16.803 -8.529 -13.445 42 1HE LYS 5 2HE LYS 5 -17.855 -7.891 -15.560 43 2HE LYS 5 1HE LYS 5 -17.306 -9.400 -16.289 44 1HZ LYS 5 1HZ LYS 5 -18.845 -9.652 -13.836 45 2HZ LYS 5 2HZ LYS 5 -18.895 -10.583 -15.247 46 3HZ LYS 5 3HZ LYS 5 -19.700 -9.097 -15.187 47 H ALA 6 H ALA 6 -13.443 -5.869 -14.056 48 HA ALA 6 HA ALA 6 -11.657 -6.059 -12.658 49 1HB ALA 6 1HB ALA 6 -11.774 -5.001 -10.563 50 2HB ALA 6 2HB ALA 6 -13.494 -5.348 -10.389 51 3HB ALA 6 3HB ALA 6 -12.949 -4.156 -11.568 52 H VAL 7 H VAL 7 -10.708 -7.897 -11.990 53 HA VAL 7 HA VAL 7 -12.355 -10.089 -11.119 54 HB VAL 7 HB VAL 7 -10.270 -11.374 -11.108 55 1HG1 VAL 7 1HG1 VAL 7 -10.353 -11.699 -13.343 56 2HG1 VAL 7 2HG1 VAL 7 -10.118 -9.988 -13.703 57 3HG1 VAL 7 3HG1 VAL 7 -11.712 -10.580 -13.233 58 1HG2 VAL 7 1HG2 VAL 7 -8.185 -10.427 -11.821 59 2HG2 VAL 7 2HG2 VAL 7 -8.789 -9.487 -10.457 60 3HG2 VAL 7 3HG2 VAL 7 -8.945 -8.861 -12.098 61 H ILE 8 H ILE 8 -12.486 -10.974 -9.158 62 HA ILE 8 HA ILE 8 -11.391 -9.465 -6.919 63 HB ILE 8 HB ILE 8 -13.397 -11.725 -6.994 64 1HG1 ILE 8 2HG1 ILE 8 -14.976 -9.950 -6.259 65 2HG1 ILE 8 1HG1 ILE 8 -13.687 -8.765 -6.432 66 1HG2 ILE 8 1HG2 ILE 8 -13.770 -11.240 -4.608 67 2HG2 ILE 8 2HG2 ILE 8 -12.404 -10.125 -4.638 68 3HG2 ILE 8 3HG2 ILE 8 -12.144 -11.846 -4.926 69 1HD1 ILE 8 1HD1 ILE 8 -14.527 -10.473 -8.738 70 2HD1 ILE 8 2HD1 ILE 8 -13.695 -8.918 -8.747 71 3HD1 ILE 8 3HD1 ILE 8 -15.404 -9.002 -8.315 72 H LYS 9 H LYS 9 -10.038 -10.318 -5.351 73 HA LYS 9 HA LYS 9 -9.010 -13.027 -5.804 74 1HB LYS 9 2HB LYS 9 -7.316 -10.550 -5.469 75 2HB LYS 9 1HB LYS 9 -6.696 -12.195 -5.428 76 1HG LYS 9 2HG LYS 9 -8.072 -10.896 -7.770 77 2HG LYS 9 1HG LYS 9 -6.333 -11.143 -7.596 78 1HD LYS 9 2HD LYS 9 -6.685 -13.564 -7.521 79 2HD LYS 9 1HD LYS 9 -8.425 -13.317 -7.691 80 1HE LYS 9 2HE LYS 9 -8.058 -12.265 -9.871 81 2HE LYS 9 1HE LYS 9 -6.321 -12.516 -9.700 82 1HZ LYS 9 1HZ LYS 9 -8.382 -14.382 -10.461 83 2HZ LYS 9 2HZ LYS 9 -7.302 -14.992 -9.310 84 3HZ LYS 9 3HZ LYS 9 -6.722 -14.408 -10.788 85 H ASN 10 H ASN 10 -9.112 -10.227 -3.613 86 HA ASN 10 HA ASN 10 -8.943 -12.131 -1.370 87 1HB ASN 10 2HB ASN 10 -7.928 -9.285 -1.354 88 2HB ASN 10 1HB ASN 10 -7.752 -10.480 -0.076 89 1HD2 ASN 10 1HD2 ASN 10 -5.834 -11.347 0.029 90 2HD2 ASN 10 2HD2 ASN 10 -4.753 -11.621 -1.289 91 H ALA 11 H ALA 11 -11.404 -11.563 -2.419 92 HA ALA 11 HA ALA 11 -12.738 -9.346 -1.325 93 1HB ALA 11 1HB ALA 11 -14.726 -11.157 -1.494 94 2HB ALA 11 2HB ALA 11 -13.527 -11.914 -2.542 95 3HB ALA 11 3HB ALA 11 -14.086 -10.276 -2.881 96 H ASP 12 H ASP 12 -13.837 -9.025 0.597 97 HA ASP 12 HA ASP 12 -14.314 -11.089 2.487 98 1HB ASP 12 2HB ASP 12 -11.878 -10.950 2.759 99 2HB ASP 12 1HB ASP 12 -12.008 -9.226 3.094 100 H MET 13 H MET 13 -16.119 -9.393 1.592 101 HA MET 13 HA MET 13 -17.045 -8.089 3.921 102 1HB MET 13 2HB MET 13 -17.046 -5.762 3.111 103 2HB MET 13 1HB MET 13 -15.418 -6.383 3.345 104 1HG MET 13 2HG MET 13 -15.047 -6.581 1.033 105 2HG MET 13 1HG MET 13 -16.757 -6.385 0.663 106 1HE MET 13 1HE MET 13 -13.463 -4.095 1.882 107 2HE MET 13 2HE MET 13 -14.537 -4.669 3.156 108 3HE MET 13 3HE MET 13 -14.537 -2.964 2.705 109 H SER 14 H SER 14 -18.894 -6.398 3.107 110 HA SER 14 HA SER 14 -20.934 -7.968 2.069 111 1HB SER 14 2HB SER 14 -20.716 -4.949 2.081 112 2HB SER 14 1HB SER 14 -22.205 -5.859 1.825 113 HG SER 14 HG SER 14 -21.705 -6.830 3.949 114 H GLU 15 H GLU 15 -22.049 -7.951 0.105 115 HA GLU 15 HA GLU 15 -20.414 -8.016 -2.184 116 1HB GLU 15 2HB GLU 15 -23.424 -8.023 -1.967 117 2HB GLU 15 1HB GLU 15 -22.520 -8.400 -3.427 118 1HG GLU 15 2HG GLU 15 -23.127 -10.466 -2.495 119 2HG GLU 15 1HG GLU 15 -21.418 -10.252 -2.121 120 H GLU 16 H GLU 16 -22.831 -5.689 -1.082 121 HA GLU 16 HA GLU 16 -22.779 -4.028 -3.341 122 1HB GLU 16 2HB GLU 16 -23.750 -2.308 -1.874 123 2HB GLU 16 1HB GLU 16 -24.537 -3.866 -1.666 124 1HG GLU 16 2HG GLU 16 -23.233 -4.254 0.363 125 2HG GLU 16 1HG GLU 16 -22.448 -2.689 0.155 126 H MET 17 H MET 17 -20.842 -3.969 -0.373 127 HA MET 17 HA MET 17 -19.499 -1.569 -0.841 128 1HB MET 17 2HB MET 17 -18.552 -4.043 0.605 129 2HB MET 17 1HB MET 17 -17.741 -2.486 0.667 130 1HG MET 17 2HG MET 17 -19.725 -1.486 1.673 131 2HG MET 17 1HG MET 17 -20.544 -3.044 1.605 132 1HE MET 17 1HE MET 17 -21.012 -2.053 3.843 133 2HE MET 17 2HE MET 17 -19.755 -1.480 4.939 134 3HE MET 17 3HE MET 17 -20.423 -3.101 5.133 135 H GLN 18 H GLN 18 -18.499 -4.879 -1.662 136 HA GLN 18 HA GLN 18 -16.107 -4.156 -2.929 137 1HB GLN 18 2HB GLN 18 -16.325 -6.386 -4.090 138 2HB GLN 18 1HB GLN 18 -16.375 -6.429 -2.335 139 1HG GLN 18 2HG GLN 18 -18.838 -6.559 -2.451 140 2HG GLN 18 1HG GLN 18 -18.717 -6.635 -4.209 141 1HE2 GLN 18 1HE2 GLN 18 -18.720 -8.379 -1.339 142 2HE2 GLN 18 2HE2 GLN 18 -18.246 -9.911 -1.972 143 H GLN 19 H GLN 19 -19.386 -4.459 -4.196 144 HA GLN 19 HA GLN 19 -18.673 -4.082 -6.913 145 1HB GLN 19 2HB GLN 19 -21.284 -3.628 -5.469 146 2HB GLN 19 1HB GLN 19 -21.097 -3.513 -7.213 147 1HG GLN 19 2HG GLN 19 -20.590 -5.970 -5.554 148 2HG GLN 19 1HG GLN 19 -22.020 -5.666 -6.537 149 1HE2 GLN 19 1HE2 GLN 19 -19.196 -7.279 -6.462 150 2HE2 GLN 19 2HE2 GLN 19 -18.887 -7.435 -8.153 151 H ASP 20 H ASP 20 -19.647 -1.874 -4.342 152 HA ASP 20 HA ASP 20 -19.796 0.449 -5.942 153 1HB ASP 20 2HB ASP 20 -20.805 0.301 -3.696 154 2HB ASP 20 1HB ASP 20 -19.197 0.213 -2.984 155 H SER 21 H SER 21 -17.149 -1.036 -4.147 156 HA SER 21 HA SER 21 -15.316 1.083 -4.563 157 1HB SER 21 2HB SER 21 -14.939 -0.601 -2.820 158 2HB SER 21 1HB SER 21 -14.788 -1.857 -4.048 159 HG SER 21 HG SER 21 -13.114 0.419 -4.024 160 H VAL 22 H VAL 22 -15.967 -1.926 -6.308 161 HA VAL 22 HA VAL 22 -13.948 -1.608 -8.255 162 HB VAL 22 HB VAL 22 -16.578 -3.070 -8.528 163 1HG1 VAL 22 1HG1 VAL 22 -15.268 -4.445 -10.177 164 2HG1 VAL 22 2HG1 VAL 22 -14.016 -3.204 -10.101 165 3HG1 VAL 22 3HG1 VAL 22 -15.629 -2.795 -10.688 166 1HG2 VAL 22 1HG2 VAL 22 -14.050 -4.502 -7.954 167 2HG2 VAL 22 2HG2 VAL 22 -15.701 -4.872 -7.458 168 3HG2 VAL 22 3HG2 VAL 22 -14.793 -3.609 -6.627 169 H GLU 23 H GLU 23 -17.363 -0.708 -8.183 170 HA GLU 23 HA GLU 23 -17.474 0.351 -10.794 171 1HB GLU 23 2HB GLU 23 -19.484 -0.287 -9.557 172 2HB GLU 23 1HB GLU 23 -19.167 0.968 -8.368 173 1HG GLU 23 2HG GLU 23 -19.462 2.671 -10.084 174 2HG GLU 23 1HG GLU 23 -19.780 1.413 -11.276 175 H CYS 24 H CYS 24 -16.968 1.841 -7.624 176 HA CYS 24 HA CYS 24 -16.744 4.493 -8.587 177 1HB CYS 24 2HB CYS 24 -15.746 3.208 -6.042 178 2HB CYS 24 1HB CYS 24 -15.625 4.933 -6.370 179 HG CYS 24 HG CYS 24 -18.456 4.405 -6.648 180 H ALA 25 H ALA 25 -14.445 1.873 -8.290 181 HA ALA 25 HA ALA 25 -12.105 3.466 -8.602 182 1HB ALA 25 1HB ALA 25 -10.922 1.435 -8.790 183 2HB ALA 25 2HB ALA 25 -12.350 0.559 -9.342 184 3HB ALA 25 3HB ALA 25 -12.242 1.101 -7.668 185 H THR 26 H THR 26 -14.251 1.698 -10.762 186 HA THR 26 HA THR 26 -12.774 1.961 -13.108 187 HB THR 26 HB THR 26 -15.772 1.844 -12.769 188 HG1 THR 26 1HG THR 26 -14.517 0.062 -11.918 189 1HG2 THR 26 1HG2 THR 26 -14.125 1.175 -15.196 190 2HG2 THR 26 2HG2 THR 26 -15.183 2.575 -15.021 191 3HG2 THR 26 3HG2 THR 26 -15.865 0.949 -15.016 192 H GLN 27 H GLN 27 -15.343 4.013 -11.785 193 HA GLN 27 HA GLN 27 -15.342 5.950 -13.808 194 1HB GLN 27 2HB GLN 27 -15.890 6.326 -10.854 195 2HB GLN 27 1HB GLN 27 -16.335 7.457 -12.124 196 1HG GLN 27 2HG GLN 27 -17.806 5.765 -13.106 197 2HG GLN 27 1HG GLN 27 -17.374 4.649 -11.809 198 1HE2 GLN 27 1HE2 GLN 27 -18.818 4.531 -10.263 199 2HE2 GLN 27 2HE2 GLN 27 -19.871 5.797 -9.742 200 H ALA 28 H ALA 28 -13.531 5.732 -10.780 201 HA ALA 28 HA ALA 28 -12.117 8.065 -10.742 202 1HB ALA 28 1HB ALA 28 -10.777 7.051 -9.213 203 2HB ALA 28 2HB ALA 28 -10.558 5.610 -10.206 204 3HB ALA 28 3HB ALA 28 -12.043 5.826 -9.285 205 H LEU 29 H LEU 29 -11.401 5.153 -12.620 206 HA LEU 29 HA LEU 29 -8.976 6.034 -13.729 207 1HB LEU 29 2HB LEU 29 -11.018 4.032 -14.647 208 2HB LEU 29 1HB LEU 29 -9.561 4.356 -15.568 209 HG LEU 29 HG LEU 29 -9.486 3.505 -12.688 210 1HD1 LEU 29 1HD1 LEU 29 -9.122 1.241 -13.421 211 2HD1 LEU 29 2HD1 LEU 29 -9.224 1.729 -15.112 212 3HD1 LEU 29 3HD1 LEU 29 -10.654 1.809 -14.084 213 1HD2 LEU 29 1HD2 LEU 29 -7.359 3.051 -14.730 214 2HD2 LEU 29 2HD2 LEU 29 -7.220 3.215 -12.980 215 3HD2 LEU 29 3HD2 LEU 29 -7.526 4.636 -13.978 216 H GLU 30 H GLU 30 -12.300 6.180 -14.897 217 HA GLU 30 HA GLU 30 -11.690 7.531 -17.320 218 1HB GLU 30 2HB GLU 30 -14.288 7.401 -15.779 219 2HB GLU 30 1HB GLU 30 -14.116 7.967 -17.435 220 1HG GLU 30 2HG GLU 30 -13.348 5.752 -18.115 221 2HG GLU 30 1HG GLU 30 -13.517 5.184 -16.454 222 H LYS 31 H LYS 31 -12.290 8.594 -14.050 223 HA LYS 31 HA LYS 31 -12.717 11.340 -14.778 224 1HB LYS 31 2HB LYS 31 -12.137 10.188 -12.047 225 2HB LYS 31 1HB LYS 31 -12.773 11.789 -12.392 226 1HG LYS 31 2HG LYS 31 -14.140 9.138 -12.607 227 2HG LYS 31 1HG LYS 31 -14.633 10.578 -11.722 228 1HD LYS 31 2HD LYS 31 -15.013 11.727 -13.877 229 2HD LYS 31 1HD LYS 31 -14.605 10.226 -14.716 230 1HE LYS 31 2HE LYS 31 -16.472 9.101 -13.611 231 2HE LYS 31 1HE LYS 31 -16.878 10.593 -12.765 232 1HZ LYS 31 1HZ LYS 31 -16.897 10.248 -15.714 233 2HZ LYS 31 2HZ LYS 31 -17.350 11.643 -14.871 234 3HZ LYS 31 3HZ LYS 31 -18.268 10.229 -14.724 235 H TYR 32 H TYR 32 -10.021 9.400 -13.595 236 HA TYR 32 HA TYR 32 -8.287 11.700 -14.149 237 1HB TYR 32 2HB TYR 32 -8.062 9.902 -11.732 238 2HB TYR 32 1HB TYR 32 -6.924 11.173 -12.166 239 HD1 TYR 32 1HD TYR 32 -8.284 13.516 -12.686 240 HD2 TYR 32 2HD TYR 32 -9.464 10.438 -9.996 241 HE1 TYR 32 1HE TYR 32 -9.617 15.146 -11.415 242 HE2 TYR 32 2HE TYR 32 -10.802 12.059 -8.718 243 HH TYR 32 HH TYR 32 -10.513 14.956 -8.549 244 H ASN 33 H ASN 33 -8.480 8.193 -13.715 245 HA ASN 33 HA ASN 33 -7.354 6.488 -14.725 246 1HB ASN 33 2HB ASN 33 -7.733 7.736 -16.830 247 2HB ASN 33 1HB ASN 33 -6.247 8.636 -16.552 248 1HD2 ASN 33 1HD2 ASN 33 -4.614 7.939 -17.699 249 2HD2 ASN 33 2HD2 ASN 33 -4.324 6.307 -18.182 250 H ILE 34 H ILE 34 -6.324 7.474 -12.418 251 HA ILE 34 HA ILE 34 -3.488 6.894 -12.748 252 HB ILE 34 HB ILE 34 -4.451 9.374 -11.310 253 1HG1 ILE 34 2HG1 ILE 34 -4.411 9.608 -13.766 254 2HG1 ILE 34 1HG1 ILE 34 -3.187 10.610 -12.994 255 1HG2 ILE 34 1HG2 ILE 34 -2.647 8.579 -10.051 256 2HG2 ILE 34 2HG2 ILE 34 -1.930 9.773 -11.134 257 3HG2 ILE 34 3HG2 ILE 34 -1.764 8.053 -11.484 258 1HD1 ILE 34 1HD1 ILE 34 -2.809 8.853 -15.089 259 2HD1 ILE 34 2HD1 ILE 34 -2.150 8.004 -13.692 260 3HD1 ILE 34 3HD1 ILE 34 -1.554 9.610 -14.108 261 H GLU 35 H GLU 35 -2.919 5.442 -11.279 262 HA GLU 35 HA GLU 35 -4.555 4.298 -9.410 263 1HB GLU 35 2HB GLU 35 -2.476 3.424 -8.351 264 2HB GLU 35 1HB GLU 35 -2.521 3.224 -10.096 265 1HG GLU 35 2HG GLU 35 -1.100 5.224 -10.331 266 2HG GLU 35 1HG GLU 35 -1.004 5.329 -8.574 267 H LYS 36 H LYS 36 -2.239 6.932 -8.848 268 HA LYS 36 HA LYS 36 -2.599 7.117 -6.069 269 1HB LYS 36 2HB LYS 36 -0.734 8.177 -7.254 270 2HB LYS 36 1HB LYS 36 -1.854 9.283 -8.038 271 1HG LYS 36 2HG LYS 36 -2.492 10.093 -5.743 272 2HG LYS 36 1HG LYS 36 -1.136 9.148 -5.124 273 1HD LYS 36 2HD LYS 36 -0.428 11.430 -5.439 274 2HD LYS 36 1HD LYS 36 0.370 10.408 -6.637 275 1HE LYS 36 2HE LYS 36 -1.253 11.090 -8.319 276 2HE LYS 36 1HE LYS 36 -2.096 12.075 -7.125 277 1HZ LYS 36 1HZ LYS 36 -0.756 13.567 -8.276 278 2HZ LYS 36 2HZ LYS 36 0.569 12.515 -8.322 279 3HZ LYS 36 3HZ LYS 36 0.129 13.258 -6.866 280 H ASP 37 H ASP 37 -3.981 9.205 -8.612 281 HA ASP 37 HA ASP 37 -5.654 10.693 -6.959 282 1HB ASP 37 2HB ASP 37 -6.059 9.964 -9.866 283 2HB ASP 37 1HB ASP 37 -6.897 11.259 -9.016 284 H ILE 38 H ILE 38 -6.393 7.744 -8.797 285 HA ILE 38 HA ILE 38 -9.098 7.538 -8.238 286 HB ILE 38 HB ILE 38 -7.060 5.335 -8.571 287 1HG1 ILE 38 2HG1 ILE 38 -8.983 6.620 -10.522 288 2HG1 ILE 38 1HG1 ILE 38 -7.243 6.847 -10.490 289 1HG2 ILE 38 1HG2 ILE 38 -8.711 4.027 -7.783 290 2HG2 ILE 38 2HG2 ILE 38 -9.385 4.237 -9.398 291 3HG2 ILE 38 3HG2 ILE 38 -9.954 5.243 -8.068 292 1HD1 ILE 38 1HD1 ILE 38 -6.842 4.912 -11.543 293 2HD1 ILE 38 2HD1 ILE 38 -8.513 5.091 -12.074 294 3HD1 ILE 38 3HD1 ILE 38 -8.134 4.061 -10.695 295 H ALA 39 H ALA 39 -6.395 6.103 -6.428 296 HA ALA 39 HA ALA 39 -7.947 4.949 -4.394 297 1HB ALA 39 1HB ALA 39 -5.063 5.818 -4.402 298 2HB ALA 39 2HB ALA 39 -5.697 4.214 -4.774 299 3HB ALA 39 3HB ALA 39 -5.810 4.850 -3.132 300 H ALA 40 H ALA 40 -6.773 8.200 -4.839 301 HA ALA 40 HA ALA 40 -6.964 9.046 -2.146 302 1HB ALA 40 1HB ALA 40 -7.087 10.656 -4.689 303 2HB ALA 40 2HB ALA 40 -5.641 10.268 -3.758 304 3HB ALA 40 3HB ALA 40 -6.876 11.320 -3.069 305 H HIS 41 H HIS 41 -9.179 9.651 -4.887 306 HA HIS 41 HA HIS 41 -11.142 10.902 -3.306 307 1HB HIS 41 2HB HIS 41 -12.305 11.174 -5.243 308 2HB HIS 41 1HB HIS 41 -10.748 10.753 -5.943 309 HD1 HIS 41 1HD HIS 41 -13.950 8.988 -4.915 310 HD2 HIS 41 2HD HIS 41 -10.896 8.706 -7.716 311 HE1 HIS 41 1HE HIS 41 -14.628 7.124 -6.455 312 HE2 HIS 41 2HE HIS 41 -12.876 7.125 -8.257 313 H ILE 42 H ILE 42 -10.950 7.555 -4.536 314 HA ILE 42 HA ILE 42 -13.380 6.665 -3.487 315 HB ILE 42 HB ILE 42 -10.836 5.110 -3.980 316 1HG1 ILE 42 2HG1 ILE 42 -13.375 5.445 -5.582 317 2HG1 ILE 42 1HG1 ILE 42 -11.789 6.097 -5.984 318 1HG2 ILE 42 1HG2 ILE 42 -13.606 4.088 -3.375 319 2HG2 ILE 42 2HG2 ILE 42 -12.175 3.905 -2.363 320 3HG2 ILE 42 3HG2 ILE 42 -12.256 3.098 -3.929 321 1HD1 ILE 42 1HD1 ILE 42 -12.876 3.668 -6.789 322 2HD1 ILE 42 2HD1 ILE 42 -11.639 3.257 -5.600 323 3HD1 ILE 42 3HD1 ILE 42 -11.218 4.226 -7.011 324 H LYS 43 H LYS 43 -10.166 6.761 -1.998 325 HA LYS 43 HA LYS 43 -10.807 5.390 0.358 326 1HB LYS 43 2HB LYS 43 -8.506 5.936 -0.397 327 2HB LYS 43 1HB LYS 43 -8.797 7.621 0.002 328 1HG LYS 43 2HG LYS 43 -9.018 5.445 2.055 329 2HG LYS 43 1HG LYS 43 -7.483 6.219 1.668 330 1HD LYS 43 2HD LYS 43 -8.541 8.418 2.203 331 2HD LYS 43 1HD LYS 43 -9.970 7.541 2.746 332 1HE LYS 43 2HE LYS 43 -8.530 8.135 4.623 333 2HE LYS 43 1HE LYS 43 -8.651 6.387 4.429 334 1HZ LYS 43 1HZ LYS 43 -6.442 7.682 3.050 335 2HZ LYS 43 2HZ LYS 43 -6.486 6.211 3.883 336 3HZ LYS 43 3HZ LYS 43 -6.348 7.663 4.739 337 H LYS 44 H LYS 44 -10.920 8.864 -0.383 338 HA LYS 44 HA LYS 44 -11.789 9.648 2.192 339 1HB LYS 44 2HB LYS 44 -12.051 11.074 -0.453 340 2HB LYS 44 1HB LYS 44 -12.338 11.807 1.119 341 1HG LYS 44 2HG LYS 44 -10.012 11.425 1.736 342 2HG LYS 44 1HG LYS 44 -9.718 10.659 0.174 343 1HD LYS 44 2HD LYS 44 -10.293 12.755 -0.957 344 2HD LYS 44 1HD LYS 44 -10.580 13.519 0.608 345 1HE LYS 44 2HE LYS 44 -8.374 14.094 -0.258 346 2HE LYS 44 1HE LYS 44 -8.247 13.148 1.224 347 1HZ LYS 44 1HZ LYS 44 -8.262 11.458 -1.058 348 2HZ LYS 44 2HZ LYS 44 -7.097 11.598 0.160 349 3HZ LYS 44 3HZ LYS 44 -7.036 12.615 -1.190 350 H GLU 45 H GLU 45 -13.612 9.170 -0.828 351 HA GLU 45 HA GLU 45 -16.101 9.945 0.128 352 1HB GLU 45 2HB GLU 45 -15.428 7.857 -1.946 353 2HB GLU 45 1HB GLU 45 -17.046 8.487 -1.664 354 1HG GLU 45 2HG GLU 45 -16.221 10.747 -2.216 355 2HG GLU 45 1HG GLU 45 -14.648 10.048 -2.595 356 H PHE 46 H PHE 46 -14.632 6.707 0.166 357 HA PHE 46 HA PHE 46 -16.856 5.444 1.350 358 1HB PHE 46 2HB PHE 46 -13.985 4.676 1.040 359 2HB PHE 46 1HB PHE 46 -15.094 3.670 1.966 360 HD1 PHE 46 1HD PHE 46 -15.093 5.446 -1.332 361 HD2 PHE 46 2HD PHE 46 -15.999 1.913 0.847 362 HE1 PHE 46 1HE PHE 46 -15.868 4.368 -3.404 363 HE2 PHE 46 2HE PHE 46 -16.773 0.826 -1.211 364 HZ PHE 46 HZ PHE 46 -16.708 2.052 -3.348 365 H ASP 47 H ASP 47 -13.914 6.820 2.817 366 HA ASP 47 HA ASP 47 -14.563 5.903 5.421 367 1HB ASP 47 2HB ASP 47 -12.895 7.513 6.234 368 2HB ASP 47 1HB ASP 47 -12.284 6.569 4.881 369 H LYS 48 H LYS 48 -15.526 8.675 3.560 370 HA LYS 48 HA LYS 48 -16.599 10.155 5.770 371 1HB LYS 48 2HB LYS 48 -15.870 10.907 3.336 372 2HB LYS 48 1HB LYS 48 -17.557 10.570 2.976 373 1HG LYS 48 2HG LYS 48 -16.486 12.530 4.990 374 2HG LYS 48 1HG LYS 48 -17.314 12.896 3.475 375 1HD LYS 48 2HD LYS 48 -19.355 11.892 4.321 376 2HD LYS 48 1HD LYS 48 -18.531 11.427 5.809 377 1HE LYS 48 2HE LYS 48 -19.858 13.435 6.149 378 2HE LYS 48 1HE LYS 48 -18.137 13.768 6.337 379 1HZ LYS 48 1HZ LYS 48 -19.766 15.249 4.848 380 2HZ LYS 48 2HZ LYS 48 -19.220 14.164 3.672 381 3HZ LYS 48 3HZ LYS 48 -18.109 15.099 4.540 382 H LYS 49 H LYS 49 -17.942 8.048 3.268 383 HA LYS 49 HA LYS 49 -20.641 8.340 4.187 384 1HB LYS 49 2HB LYS 49 -19.457 6.354 2.254 385 2HB LYS 49 1HB LYS 49 -21.173 6.636 2.507 386 1HG LYS 49 2HG LYS 49 -20.904 8.935 1.712 387 2HG LYS 49 1HG LYS 49 -19.187 8.631 1.444 388 1HD LYS 49 2HD LYS 49 -20.429 8.433 -0.640 389 2HD LYS 49 1HD LYS 49 -19.754 6.873 -0.166 390 1HE LYS 49 2HE LYS 49 -21.919 6.202 0.735 391 2HE LYS 49 1HE LYS 49 -22.597 7.769 0.296 392 1HZ LYS 49 1HZ LYS 49 -23.193 6.195 -1.369 393 2HZ LYS 49 2HZ LYS 49 -21.594 5.675 -1.551 394 3HZ LYS 49 3HZ LYS 49 -22.038 7.231 -2.044 395 H TYR 50 H TYR 50 -18.407 5.587 4.121 396 HA TYR 50 HA TYR 50 -20.127 4.075 5.883 397 1HB TYR 50 2HB TYR 50 -17.458 3.404 4.646 398 2HB TYR 50 1HB TYR 50 -18.424 2.288 5.608 399 HD1 TYR 50 1HD TYR 50 -18.951 4.591 2.706 400 HD2 TYR 50 2HD TYR 50 -19.664 0.760 4.405 401 HE1 TYR 50 1HE TYR 50 -20.200 3.949 0.700 402 HE2 TYR 50 2HE TYR 50 -20.911 0.096 2.392 403 HH TYR 50 HH TYR 50 -22.271 1.611 0.488 404 H ASN 51 H ASN 51 -17.536 6.226 6.267 405 HA ASN 51 HA ASN 51 -16.801 7.102 8.292 406 1HB ASN 51 2HB ASN 51 -17.496 4.450 9.576 407 2HB ASN 51 1HB ASN 51 -16.986 5.917 10.400 408 1HD2 ASN 51 1HD2 ASN 51 -19.578 4.085 9.736 409 2HD2 ASN 51 2HD2 ASN 51 -20.826 5.277 9.813 410 HA PRO 52 HA PRO 52 -12.706 5.683 7.544 411 1HB PRO 52 2HB PRO 52 -12.016 6.834 10.187 412 2HB PRO 52 1HB PRO 52 -11.360 7.209 8.591 413 1HG PRO 52 2HG PRO 52 -13.011 8.900 9.834 414 2HG PRO 52 1HG PRO 52 -13.082 8.667 8.078 415 1HD PRO 52 2HD PRO 52 -14.875 7.576 10.210 416 2HD PRO 52 1HD PRO 52 -15.286 8.198 8.599 417 H THR 53 H THR 53 -11.377 3.163 9.711 418 HA THR 53 HA THR 53 -10.920 5.386 7.840 419 HB THR 53 HB THR 53 -9.442 5.391 9.816 420 HG1 THR 53 1HG THR 53 -8.029 4.660 7.471 421 1HG2 THR 53 1HG2 THR 53 -8.121 3.692 10.488 422 2HG2 THR 53 2HG2 THR 53 -7.952 3.029 8.864 423 3HG2 THR 53 3HG2 THR 53 -9.427 2.737 9.786 424 H TRP 54 H TRP 54 -10.437 4.928 5.767 425 HA TRP 54 HA TRP 54 -10.318 2.091 5.044 426 1HB TRP 54 2HB TRP 54 -11.019 4.516 3.398 427 2HB TRP 54 1HB TRP 54 -10.903 2.880 2.754 428 HD1 TRP 54 HD TRP 54 -12.813 4.598 5.665 429 HE1 TRP 54 1HE TRP 54 -15.182 3.616 5.731 430 HE3 TRP 54 3HE TRP 54 -12.386 1.224 1.854 431 HZ2 TRP 54 2HZ TRP 54 -16.676 1.640 4.351 432 HZ3 TRP 54 3HZ TRP 54 -14.326 -0.183 1.297 433 HH2 TRP 54 HH TRP 54 -16.426 0.022 2.524 434 H HIS 55 H HIS 55 -8.637 1.186 4.113 435 HA HIS 55 HA HIS 55 -6.321 2.878 3.469 436 1HB HIS 55 2HB HIS 55 -6.295 -0.123 3.768 437 2HB HIS 55 1HB HIS 55 -4.943 0.995 3.897 438 HD1 HIS 55 1HD HIS 55 -5.584 2.876 6.017 439 HD2 HIS 55 2HD HIS 55 -6.915 -1.055 6.207 440 HE1 HIS 55 1HE HIS 55 -6.076 2.448 8.447 441 HE2 HIS 55 2HE HIS 55 -6.802 0.039 8.548 442 H CYS 56 H CYS 56 -5.718 3.069 1.355 443 HA CYS 56 HA CYS 56 -6.816 1.099 -0.534 444 1HB CYS 56 2HB CYS 56 -8.177 3.160 -0.576 445 2HB CYS 56 1HB CYS 56 -6.737 4.085 -0.990 446 HG CYS 56 HG CYS 56 -8.347 2.319 -2.905 447 H ILE 57 H ILE 57 -5.618 0.597 -2.303 448 HA ILE 57 HA ILE 57 -3.103 1.946 -2.827 449 HB ILE 57 HB ILE 57 -3.171 -1.002 -2.166 450 1HG1 ILE 57 2HG1 ILE 57 -1.988 1.316 -0.621 451 2HG1 ILE 57 1HG1 ILE 57 -3.391 0.365 -0.144 452 1HG2 ILE 57 1HG2 ILE 57 -0.946 0.847 -3.001 453 2HG2 ILE 57 2HG2 ILE 57 -1.530 -0.589 -3.841 454 3HG2 ILE 57 3HG2 ILE 57 -0.677 -0.751 -2.307 455 1HD1 ILE 57 1HD1 ILE 57 -1.149 -0.153 0.959 456 2HD1 ILE 57 2HD1 ILE 57 -0.718 -0.911 -0.574 457 3HD1 ILE 57 3HD1 ILE 57 -2.099 -1.507 0.347 458 H VAL 58 H VAL 58 -2.510 1.769 -4.960 459 HA VAL 58 HA VAL 58 -3.737 -0.269 -6.637 460 HB VAL 58 HB VAL 58 -4.122 2.670 -7.233 461 1HG1 VAL 58 1HG1 VAL 58 -3.941 0.624 -9.031 462 2HG1 VAL 58 2HG1 VAL 58 -4.828 2.127 -9.291 463 3HG1 VAL 58 3HG1 VAL 58 -5.677 0.689 -8.725 464 1HG2 VAL 58 1HG2 VAL 58 -6.517 2.215 -6.885 465 2HG2 VAL 58 2HG2 VAL 58 -5.568 1.978 -5.417 466 3HG2 VAL 58 3HG2 VAL 58 -6.115 0.583 -6.348 467 H GLY 59 H GLY 59 -2.482 -0.842 -8.331 468 1HA GLY 59 2HA GLY 59 -0.674 0.806 -9.693 469 2HA GLY 59 1HA GLY 59 0.211 -0.002 -8.408 470 H ARG 60 H ARG 60 1.406 -1.505 -9.385 471 HA ARG 60 HA ARG 60 0.232 -3.836 -10.457 472 1HB ARG 60 2HB ARG 60 -0.175 -2.298 -12.375 473 2HB ARG 60 1HB ARG 60 1.562 -2.057 -12.510 474 1HG ARG 60 2HG ARG 60 1.831 -4.468 -12.963 475 2HG ARG 60 1HG ARG 60 0.078 -4.648 -12.901 476 1HD ARG 60 2HD ARG 60 0.880 -4.462 -15.201 477 2HD ARG 60 1HD ARG 60 -0.161 -3.107 -14.766 478 HE ARG 60 HE ARG 60 2.486 -2.365 -14.273 479 1HH1 ARG 60 1HH1 ARG 60 0.431 -3.140 -16.984 480 2HH1 ARG 60 2HH1 ARG 60 1.298 -2.127 -18.091 481 1HH2 ARG 60 1HH2 ARG 60 3.625 -1.032 -15.726 482 2HH2 ARG 60 2HH2 ARG 60 3.112 -0.931 -17.376 483 H ASN 61 H ASN 61 2.077 -3.379 -8.507 484 HA ASN 61 HA ASN 61 4.005 -5.231 -8.747 485 1HB ASN 61 2HB ASN 61 4.964 -4.022 -10.666 486 2HB ASN 61 1HB ASN 61 5.147 -2.580 -9.676 487 1HD2 ASN 61 1HD2 ASN 61 5.782 -5.446 -7.951 488 2HD2 ASN 61 2HD2 ASN 61 7.502 -5.393 -8.048 489 H PHE 62 H PHE 62 3.275 -5.199 -6.523 490 HA PHE 62 HA PHE 62 5.037 -3.765 -4.793 491 1HB PHE 62 2HB PHE 62 3.469 -2.305 -3.701 492 2HB PHE 62 1HB PHE 62 3.438 -1.974 -5.429 493 HD1 PHE 62 1HD PHE 62 1.644 -3.514 -6.724 494 HD2 PHE 62 2HD PHE 62 1.440 -2.340 -2.642 495 HE1 PHE 62 1HE PHE 62 -0.791 -3.860 -6.754 496 HE2 PHE 62 2HE PHE 62 -0.996 -2.684 -2.662 497 HZ PHE 62 HZ PHE 62 -2.116 -3.444 -4.719 498 H GLY 63 H GLY 63 5.207 -4.664 -2.863 499 1HA GLY 63 2HA GLY 63 3.222 -6.726 -2.105 500 2HA GLY 63 1HA GLY 63 4.933 -6.806 -1.694 501 H SER 64 H SER 64 2.185 -6.511 -0.135 502 HA SER 64 HA SER 64 3.364 -4.777 1.874 503 1HB SER 64 2HB SER 64 1.367 -3.300 1.990 504 2HB SER 64 1HB SER 64 2.283 -3.128 0.493 505 HG SER 64 HG SER 64 -0.107 -4.614 0.864 506 H TYR 65 H TYR 65 2.387 -4.780 3.881 507 HA TYR 65 HA TYR 65 0.383 -6.878 4.373 508 1HB TYR 65 2HB TYR 65 2.964 -6.318 5.802 509 2HB TYR 65 1HB TYR 65 1.610 -7.020 6.679 510 HD1 TYR 65 1HD TYR 65 0.461 -9.031 5.211 511 HD2 TYR 65 2HD TYR 65 4.541 -7.836 5.096 512 HE1 TYR 65 1HE TYR 65 1.086 -11.272 4.423 513 HE2 TYR 65 2HE TYR 65 5.180 -10.074 4.306 514 HH TYR 65 HH TYR 65 3.967 -12.539 4.580 515 H VAL 66 H VAL 66 -1.209 -6.374 5.868 516 HA VAL 66 HA VAL 66 -1.073 -3.935 7.430 517 HB VAL 66 HB VAL 66 -3.256 -4.214 5.368 518 1HG1 VAL 66 1HG1 VAL 66 -3.622 -1.800 5.933 519 2HG1 VAL 66 2HG1 VAL 66 -2.486 -2.009 7.262 520 3HG1 VAL 66 3HG1 VAL 66 -3.986 -2.935 7.232 521 1HG2 VAL 66 1HG2 VAL 66 -0.761 -2.521 5.250 522 2HG2 VAL 66 2HG2 VAL 66 -2.151 -2.328 4.183 523 3HG2 VAL 66 3HG2 VAL 66 -1.218 -3.823 4.153 524 H THR 67 H THR 67 -3.018 -3.658 8.792 525 HA THR 67 HA THR 67 -4.413 -6.219 9.251 526 HB THR 67 HB THR 67 -3.673 -4.081 11.274 527 HG1 THR 67 1HG THR 67 -1.963 -5.226 11.587 528 1HG2 THR 67 1HG2 THR 67 -4.499 -5.546 12.982 529 2HG2 THR 67 2HG2 THR 67 -4.947 -6.756 11.781 530 3HG2 THR 67 3HG2 THR 67 -5.792 -5.209 11.832 531 H HIS 68 H HIS 68 -6.655 -6.063 9.933 532 HA HIS 68 HA HIS 68 -7.994 -3.530 9.875 533 1HB HIS 68 2HB HIS 68 -9.273 -4.012 7.777 534 2HB HIS 68 1HB HIS 68 -7.559 -3.684 7.521 535 HD1 HIS 68 1HD HIS 68 -9.933 -6.629 7.751 536 HD2 HIS 68 2HD HIS 68 -6.189 -5.666 6.232 537 HE1 HIS 68 1HE HIS 68 -9.189 -8.655 6.466 538 HE2 HIS 68 2HE HIS 68 -6.877 -8.090 5.650 539 H GLU 69 H GLU 69 -10.166 -3.622 10.358 540 HA GLU 69 HA GLU 69 -11.037 -5.715 11.994 541 1HB GLU 69 2HB GLU 69 -11.880 -3.449 12.220 542 2HB GLU 69 1HB GLU 69 -12.592 -3.519 10.614 543 1HG GLU 69 2HG GLU 69 -14.135 -5.234 11.356 544 2HG GLU 69 1HG GLU 69 -13.406 -5.214 12.959 545 H THR 70 H THR 70 -12.347 -7.465 11.672 546 HA THR 70 HA THR 70 -12.397 -8.728 9.193 547 HB THR 70 HB THR 70 -14.046 -10.268 10.196 548 HG1 THR 70 1HG THR 70 -14.833 -9.856 12.243 549 1HG2 THR 70 1HG2 THR 70 -12.585 -10.302 12.550 550 2HG2 THR 70 2HG2 THR 70 -11.481 -9.640 11.345 551 3HG2 THR 70 3HG2 THR 70 -12.246 -11.206 11.074 552 H LYS 71 H LYS 71 -14.017 -9.117 7.676 553 HA LYS 71 HA LYS 71 -15.771 -8.634 6.315 554 1HB LYS 71 2HB LYS 71 -16.950 -7.453 8.834 555 2HB LYS 71 1HB LYS 71 -17.824 -7.628 7.320 556 1HG LYS 71 2HG LYS 71 -16.685 -9.858 8.990 557 2HG LYS 71 1HG LYS 71 -18.388 -9.421 8.831 558 1HD LYS 71 2HD LYS 71 -18.294 -9.950 6.440 559 2HD LYS 71 1HD LYS 71 -16.596 -10.399 6.609 560 1HE LYS 71 2HE LYS 71 -18.030 -12.372 6.609 561 2HE LYS 71 1HE LYS 71 -17.218 -12.179 8.162 562 1HZ LYS 71 1HZ LYS 71 -19.820 -12.635 7.918 563 2HZ LYS 71 2HZ LYS 71 -19.837 -10.944 7.934 564 3HZ LYS 71 3HZ LYS 71 -19.148 -11.795 9.223 565 H HIS 72 H HIS 72 -13.547 -6.924 6.463 566 HA HIS 72 HA HIS 72 -14.641 -4.612 5.147 567 1HB HIS 72 2HB HIS 72 -12.996 -4.239 7.662 568 2HB HIS 72 1HB HIS 72 -13.467 -2.955 6.555 569 HD1 HIS 72 1HD HIS 72 -15.085 -5.485 8.877 570 HD2 HIS 72 2HD HIS 72 -15.858 -1.801 7.135 571 HE1 HIS 72 1HE HIS 72 -17.246 -4.701 9.897 572 HE2 HIS 72 2HE HIS 72 -17.638 -2.420 8.904 573 H PHE 73 H PHE 73 -13.313 -6.410 3.864 574 HA PHE 73 HA PHE 73 -10.803 -5.137 3.202 575 1HB PHE 73 2HB PHE 73 -9.991 -6.639 4.861 576 2HB PHE 73 1HB PHE 73 -10.965 -7.964 4.235 577 HD1 PHE 73 1HD PHE 73 -8.451 -5.578 2.828 578 HD2 PHE 73 2HD PHE 73 -9.748 -9.608 3.241 579 HE1 PHE 73 1HE PHE 73 -6.555 -6.325 1.450 580 HE2 PHE 73 2HE PHE 73 -7.855 -10.364 1.867 581 HZ PHE 73 HZ PHE 73 -6.255 -8.723 0.967 582 H ILE 74 H ILE 74 -10.262 -5.347 1.066 583 HA ILE 74 HA ILE 74 -11.350 -7.457 -0.555 584 HB ILE 74 HB ILE 74 -13.319 -6.051 -0.436 585 1HG1 ILE 74 2HG1 ILE 74 -11.913 -5.797 -3.106 586 2HG1 ILE 74 1HG1 ILE 74 -12.855 -7.183 -2.565 587 1HG2 ILE 74 1HG2 ILE 74 -12.494 -3.927 0.129 588 2HG2 ILE 74 2HG2 ILE 74 -13.174 -3.736 -1.486 589 3HG2 ILE 74 3HG2 ILE 74 -11.428 -3.873 -1.274 590 1HD1 ILE 74 1HD1 ILE 74 -14.393 -6.120 -3.856 591 2HD1 ILE 74 2HD1 ILE 74 -13.757 -4.517 -3.492 592 3HD1 ILE 74 3HD1 ILE 74 -14.733 -5.369 -2.298 593 H TYR 75 H TYR 75 -10.316 -7.703 -2.463 594 HA TYR 75 HA TYR 75 -8.502 -5.624 -3.429 595 1HB TYR 75 2HB TYR 75 -7.238 -7.203 -1.896 596 2HB TYR 75 1HB TYR 75 -7.592 -8.484 -3.050 597 HD1 TYR 75 1HD TYR 75 -6.970 -7.747 -5.594 598 HD2 TYR 75 2HD TYR 75 -5.153 -6.261 -2.047 599 HE1 TYR 75 1HE TYR 75 -4.971 -7.131 -6.882 600 HE2 TYR 75 2HE TYR 75 -3.148 -5.643 -3.327 601 HH TYR 75 HH TYR 75 -2.671 -6.657 -6.593 602 H PHE 76 H PHE 76 -8.394 -5.594 -5.667 603 HA PHE 76 HA PHE 76 -9.063 -7.875 -7.252 604 1HB PHE 76 2HB PHE 76 -11.146 -6.993 -8.223 605 2HB PHE 76 1HB PHE 76 -11.310 -7.292 -6.496 606 HD1 PHE 76 1HD PHE 76 -10.480 -4.549 -8.883 607 HD2 PHE 76 2HD PHE 76 -12.247 -5.656 -5.173 608 HE1 PHE 76 1HE PHE 76 -11.253 -2.236 -8.565 609 HE2 PHE 76 2HE PHE 76 -13.025 -3.342 -4.852 610 HZ PHE 76 HZ PHE 76 -12.528 -1.630 -6.548 611 H TYR 77 H TYR 77 -8.482 -7.660 -9.357 612 HA TYR 77 HA TYR 77 -7.019 -5.250 -10.062 613 1HB TYR 77 2HB TYR 77 -7.342 -7.870 -11.547 614 2HB TYR 77 1HB TYR 77 -6.297 -6.546 -12.047 615 HD1 TYR 77 1HD TYR 77 -6.902 -8.677 -9.026 616 HD2 TYR 77 2HD TYR 77 -4.065 -6.704 -11.506 617 HE1 TYR 77 1HE TYR 77 -5.076 -9.611 -7.672 618 HE2 TYR 77 2HE TYR 77 -2.232 -7.634 -10.159 619 HH TYR 77 HH TYR 77 -1.893 -8.507 -7.863 620 H LEU 78 H LEU 78 -7.420 -4.078 -12.037 621 HA LEU 78 HA LEU 78 -9.815 -4.594 -13.536 622 1HB LEU 78 2HB LEU 78 -10.781 -3.562 -11.557 623 2HB LEU 78 1HB LEU 78 -9.697 -2.193 -11.714 624 HG LEU 78 HG LEU 78 -10.784 -1.600 -13.854 625 1HD1 LEU 78 1HD1 LEU 78 -11.713 -4.183 -13.832 626 2HD1 LEU 78 2HD1 LEU 78 -12.272 -2.894 -14.898 627 3HD1 LEU 78 3HD1 LEU 78 -13.145 -3.245 -13.407 628 1HD2 LEU 78 1HD2 LEU 78 -12.978 -1.846 -11.852 629 2HD2 LEU 78 2HD2 LEU 78 -12.522 -0.474 -12.861 630 3HD2 LEU 78 3HD2 LEU 78 -11.549 -0.894 -11.452 631 H GLY 79 H GLY 79 -9.794 -3.662 -15.498 632 1HA GLY 79 2HA GLY 79 -9.085 -2.450 -17.309 633 2HA GLY 79 1HA GLY 79 -8.419 -1.282 -16.176 634 H GLN 80 H GLN 80 -6.403 -2.113 -15.018 635 HA GLN 80 HA GLN 80 -4.761 -4.061 -16.105 636 1HB GLN 80 2HB GLN 80 -4.836 -2.590 -18.122 637 2HB GLN 80 1HB GLN 80 -4.108 -1.305 -17.170 638 1HG GLN 80 2HG GLN 80 -2.102 -2.628 -16.869 639 2HG GLN 80 1HG GLN 80 -2.837 -3.975 -17.735 640 1HE2 GLN 80 1HE2 GLN 80 -0.742 -1.487 -18.021 641 2HE2 GLN 80 2HE2 GLN 80 -0.806 -1.236 -19.730 642 H VAL 81 H VAL 81 -5.483 -2.958 -13.594 643 HA VAL 81 HA VAL 81 -2.865 -2.667 -12.432 644 HB VAL 81 HB VAL 81 -3.341 -0.559 -11.247 645 1HG1 VAL 81 1HG1 VAL 81 -3.565 -0.138 -14.219 646 2HG1 VAL 81 2HG1 VAL 81 -2.076 -0.638 -13.415 647 3HG1 VAL 81 3HG1 VAL 81 -2.808 0.920 -13.029 648 1HG2 VAL 81 1HG2 VAL 81 -5.771 -0.617 -11.315 649 2HG2 VAL 81 2HG2 VAL 81 -5.745 -0.406 -13.065 650 3HG2 VAL 81 3HG2 VAL 81 -5.171 0.888 -12.012 651 H ALA 82 H ALA 82 -2.820 -3.450 -10.396 652 HA ALA 82 HA ALA 82 -5.130 -4.763 -9.376 653 1HB ALA 82 1HB ALA 82 -2.418 -5.032 -9.020 654 2HB ALA 82 2HB ALA 82 -3.668 -5.883 -8.113 655 3HB ALA 82 3HB ALA 82 -2.960 -4.403 -7.464 656 H ILE 83 H ILE 83 -6.618 -4.083 -7.967 657 HA ILE 83 HA ILE 83 -6.181 -1.477 -6.663 658 HB ILE 83 HB ILE 83 -8.817 -2.752 -7.415 659 1HG1 ILE 83 2HG1 ILE 83 -7.338 -0.414 -8.644 660 2HG1 ILE 83 1HG1 ILE 83 -7.542 -2.001 -9.377 661 1HG2 ILE 83 1HG2 ILE 83 -9.319 -0.118 -6.963 662 2HG2 ILE 83 2HG2 ILE 83 -8.083 -0.451 -5.751 663 3HG2 ILE 83 3HG2 ILE 83 -9.566 -1.404 -5.782 664 1HD1 ILE 83 1HD1 ILE 83 -9.071 -0.076 -10.118 665 2HD1 ILE 83 2HD1 ILE 83 -9.919 -0.368 -8.599 666 3HD1 ILE 83 3HD1 ILE 83 -9.790 -1.655 -9.799 667 H LEU 84 H LEU 84 -6.608 -1.242 -4.508 668 HA LEU 84 HA LEU 84 -7.594 -3.570 -3.027 669 1HB LEU 84 2HB LEU 84 -5.178 -3.729 -2.938 670 2HB LEU 84 1HB LEU 84 -5.055 -2.058 -2.421 671 HG LEU 84 HG LEU 84 -6.169 -2.622 -0.307 672 1HD1 LEU 84 1HD1 LEU 84 -7.339 -4.484 -0.042 673 2HD1 LEU 84 2HD1 LEU 84 -5.917 -5.468 -0.390 674 3HD1 LEU 84 3HD1 LEU 84 -6.962 -4.933 -1.705 675 1HD2 LEU 84 1HD2 LEU 84 -4.325 -4.344 0.436 676 2HD2 LEU 84 2HD2 LEU 84 -3.904 -2.684 0.009 677 3HD2 LEU 84 3HD2 LEU 84 -3.665 -3.984 -1.159 678 H LEU 85 H LEU 85 -8.766 -3.099 -1.212 679 HA LEU 85 HA LEU 85 -8.787 -0.457 -0.075 680 1HB LEU 85 2HB LEU 85 -10.233 -0.152 -2.043 681 2HB LEU 85 1HB LEU 85 -11.243 -1.479 -1.503 682 HG LEU 85 HG LEU 85 -11.842 -0.185 0.515 683 1HD1 LEU 85 1HD1 LEU 85 -11.277 2.391 0.083 684 2HD1 LEU 85 2HD1 LEU 85 -9.837 1.660 -0.624 685 3HD1 LEU 85 3HD1 LEU 85 -10.257 1.333 1.057 686 1HD2 LEU 85 1HD2 LEU 85 -13.456 0.014 -1.125 687 2HD2 LEU 85 2HD2 LEU 85 -12.381 0.876 -2.225 688 3HD2 LEU 85 3HD2 LEU 85 -13.042 1.700 -0.813 689 H PHE 86 H PHE 86 -9.412 -0.518 2.012 690 HA PHE 86 HA PHE 86 -11.260 -2.355 3.092 691 1HB PHE 86 2HB PHE 86 -9.713 -3.771 4.381 692 2HB PHE 86 1HB PHE 86 -9.504 -3.980 2.647 693 HD1 PHE 86 1HD PHE 86 -7.665 -2.296 1.621 694 HD2 PHE 86 2HD PHE 86 -7.825 -3.675 5.638 695 HE1 PHE 86 1HE PHE 86 -5.259 -1.855 1.862 696 HE2 PHE 86 2HE PHE 86 -5.422 -3.237 5.891 697 HZ PHE 86 HZ PHE 86 -4.132 -2.324 4.001 698 H LYS 87 H LYS 87 -12.035 -1.467 4.898 699 HA LYS 87 HA LYS 87 -10.484 0.665 6.141 700 1HB LYS 87 2HB LYS 87 -12.554 1.364 7.206 701 2HB LYS 87 1HB LYS 87 -12.763 1.223 5.473 702 1HG LYS 87 2HG LYS 87 -13.966 -0.817 5.698 703 2HG LYS 87 1HG LYS 87 -13.576 -0.919 7.416 704 1HD LYS 87 2HD LYS 87 -15.073 1.440 6.341 705 2HD LYS 87 1HD LYS 87 -15.921 -0.061 6.688 706 1HE LYS 87 2HE LYS 87 -16.089 1.361 8.605 707 2HE LYS 87 1HE LYS 87 -15.006 0.028 8.999 708 1HZ LYS 87 1HZ LYS 87 -13.190 1.396 9.035 709 2HZ LYS 87 2HZ LYS 87 -14.375 2.461 9.603 710 3HZ LYS 87 3HZ LYS 87 -13.870 2.542 7.991 711 H SER 88 H SER 88 -10.859 0.941 8.548 712 HA SER 88 HA SER 88 -11.002 -1.578 10.011 713 1HB SER 88 2HB SER 88 -8.589 0.249 10.168 714 2HB SER 88 1HB SER 88 -8.854 -1.203 11.135 715 HG SER 88 HG SER 88 -7.518 -1.655 9.360 716 H GLY 89 H GLY 89 -12.020 -1.310 11.889 717 1HA GLY 89 2HA GLY 89 -13.056 -0.299 13.671 718 2HA GLY 89 1HA GLY 89 -11.736 0.859 13.640 719 1H MET 1 1HT MET 1 29.602 -4.494 11.341 720 2H MET 1 2HT MET 1 29.875 -3.646 12.808 721 3H MET 1 3HT MET 1 31.131 -3.781 11.646 722 HA MET 1 HA MET 1 30.243 -1.631 11.531 723 1HB MET 1 2HB MET 1 29.269 -3.396 9.273 724 2HB MET 1 1HB MET 1 29.513 -1.658 9.168 725 1HG MET 1 2HG MET 1 31.895 -1.965 9.603 726 2HG MET 1 1HG MET 1 31.651 -3.708 9.708 727 1HE MET 1 1HE MET 1 33.511 -4.238 7.466 728 2HE MET 1 2HE MET 1 33.784 -2.632 8.141 729 3HE MET 1 3HE MET 1 33.649 -2.843 6.396 730 H CYS 2 H CYS 2 28.588 -0.258 11.862 731 HA CYS 2 HA CYS 2 26.166 -1.169 12.944 732 1HB CYS 2 2HB CYS 2 25.445 1.188 12.829 733 2HB CYS 2 1HB CYS 2 27.067 1.026 13.491 734 HG CYS 2 HG CYS 2 27.227 2.940 11.823 735 H ASP 3 H ASP 3 26.960 0.041 9.710 736 HA ASP 3 HA ASP 3 25.884 -0.128 7.713 737 1HB ASP 3 2HB ASP 3 25.813 -2.528 8.232 738 2HB ASP 3 1HB ASP 3 24.311 -2.297 9.121 739 H ARG 4 H ARG 4 24.369 1.112 6.780 740 HA ARG 4 HA ARG 4 21.697 1.371 7.582 741 1HB ARG 4 2HB ARG 4 22.844 2.489 9.544 742 2HB ARG 4 1HB ARG 4 23.395 3.726 8.431 743 1HG ARG 4 2HG ARG 4 20.493 3.073 8.881 744 2HG ARG 4 1HG ARG 4 21.370 4.305 9.787 745 1HD ARG 4 2HD ARG 4 20.833 4.254 6.822 746 2HD ARG 4 1HD ARG 4 20.171 5.367 8.009 747 HE ARG 4 HE ARG 4 22.944 5.587 8.106 748 1HH1 ARG 4 1HH1 ARG 4 20.343 6.218 5.867 749 2HH1 ARG 4 2HH1 ARG 4 21.170 7.519 5.079 750 1HH2 ARG 4 1HH2 ARG 4 24.034 7.299 7.071 751 2HH2 ARG 4 2HH2 ARG 4 23.266 8.133 5.762 752 H LYS 5 H LYS 5 20.611 2.162 5.893 753 HA LYS 5 HA LYS 5 21.806 4.164 4.160 754 1HB LYS 5 2HB LYS 5 20.938 1.452 3.129 755 2HB LYS 5 1HB LYS 5 21.390 2.819 2.120 756 1HG LYS 5 2HG LYS 5 23.223 1.488 4.100 757 2HG LYS 5 1HG LYS 5 23.177 1.133 2.372 758 1HD LYS 5 2HD LYS 5 23.769 3.445 1.871 759 2HD LYS 5 1HD LYS 5 23.776 3.830 3.591 760 1HE LYS 5 2HE LYS 5 25.601 2.238 3.938 761 2HE LYS 5 1HE LYS 5 25.587 1.847 2.218 762 1HZ LYS 5 1HZ LYS 5 26.183 4.519 3.373 763 2HZ LYS 5 2HZ LYS 5 26.194 4.128 1.727 764 3HZ LYS 5 3HZ LYS 5 27.330 3.432 2.767 765 H ALA 6 H ALA 6 19.640 3.197 2.119 766 HA ALA 6 HA ALA 6 17.491 3.718 1.602 767 1HB ALA 6 1HB ALA 6 16.660 3.882 4.446 768 2HB ALA 6 2HB ALA 6 17.247 2.331 3.848 769 3HB ALA 6 3HB ALA 6 15.864 3.107 3.078 770 H VAL 7 H VAL 7 16.799 5.654 0.922 771 HA VAL 7 HA VAL 7 17.594 8.021 2.396 772 HB VAL 7 HB VAL 7 16.767 9.252 0.454 773 1HG1 VAL 7 1HG1 VAL 7 19.102 8.171 0.662 774 2HG1 VAL 7 2HG1 VAL 7 18.598 8.811 -0.903 775 3HG1 VAL 7 3HG1 VAL 7 18.527 7.076 -0.596 776 1HG2 VAL 7 1HG2 VAL 7 15.226 8.322 -0.853 777 2HG2 VAL 7 2HG2 VAL 7 15.519 6.731 -0.152 778 3HG2 VAL 7 3HG2 VAL 7 16.494 7.289 -1.511 779 H ILE 8 H ILE 8 16.251 9.392 3.401 780 HA ILE 8 HA ILE 8 13.555 8.493 3.924 781 HB ILE 8 HB ILE 8 15.149 10.826 4.978 782 1HG1 ILE 8 2HG1 ILE 8 14.957 9.575 7.109 783 2HG1 ILE 8 1HG1 ILE 8 14.087 8.299 6.263 784 1HG2 ILE 8 1HG2 ILE 8 13.014 11.726 5.053 785 2HG2 ILE 8 2HG2 ILE 8 13.161 10.956 6.634 786 3HG2 ILE 8 3HG2 ILE 8 12.255 10.162 5.346 787 1HD1 ILE 8 1HD1 ILE 8 16.865 9.134 5.498 788 2HD1 ILE 8 2HD1 ILE 8 15.998 7.664 5.054 789 3HD1 ILE 8 3HD1 ILE 8 16.534 7.903 6.716 790 H LYS 9 H LYS 9 11.791 9.143 2.921 791 HA LYS 9 HA LYS 9 11.988 11.388 1.046 792 1HB LYS 9 2HB LYS 9 11.311 9.157 0.173 793 2HB LYS 9 1HB LYS 9 9.891 9.221 1.206 794 1HG LYS 9 2HG LYS 9 9.317 9.834 -1.057 795 2HG LYS 9 1HG LYS 9 9.126 11.222 0.016 796 1HD LYS 9 2HD LYS 9 11.294 12.088 -0.711 797 2HD LYS 9 1HD LYS 9 11.501 10.692 -1.770 798 1HE LYS 9 2HE LYS 9 10.736 12.643 -3.022 799 2HE LYS 9 1HE LYS 9 9.531 11.358 -3.046 800 1HZ LYS 9 1HZ LYS 9 8.152 12.513 -1.612 801 2HZ LYS 9 2HZ LYS 9 8.767 13.746 -2.590 802 3HZ LYS 9 3HZ LYS 9 9.390 13.511 -1.035 803 H ASN 10 H ASN 10 10.157 10.164 3.779 804 HA ASN 10 HA ASN 10 9.252 12.777 4.476 805 1HB ASN 10 2HB ASN 10 6.802 12.247 4.319 806 2HB ASN 10 1HB ASN 10 7.608 12.458 2.768 807 1HD2 ASN 10 1HD2 ASN 10 6.990 11.059 1.310 808 2HD2 ASN 10 2HD2 ASN 10 6.509 9.424 1.595 809 H ALA 11 H ALA 11 10.726 11.300 6.003 810 HA ALA 11 HA ALA 11 9.516 9.379 7.648 811 1HB ALA 11 1HB ALA 11 11.883 9.530 7.624 812 2HB ALA 11 2HB ALA 11 11.363 9.959 9.253 813 3HB ALA 11 3HB ALA 11 11.848 11.221 8.122 814 H ASP 12 H ASP 12 8.633 9.486 9.703 815 HA ASP 12 HA ASP 12 8.129 12.002 11.010 816 1HB ASP 12 2HB ASP 12 5.803 10.422 9.886 817 2HB ASP 12 1HB ASP 12 5.671 11.812 10.959 818 H MET 13 H MET 13 9.499 10.527 12.375 819 HA MET 13 HA MET 13 7.976 9.486 14.510 820 1HB MET 13 2HB MET 13 7.614 7.657 12.874 821 2HB MET 13 1HB MET 13 9.350 7.411 12.790 822 1HG MET 13 2HG MET 13 9.365 6.845 15.180 823 2HG MET 13 1HG MET 13 7.615 7.035 15.219 824 1HE MET 13 1HE MET 13 6.469 6.109 12.942 825 2HE MET 13 2HE MET 13 5.900 4.789 13.960 826 3HE MET 13 3HE MET 13 6.676 4.439 12.416 827 H SER 14 H SER 14 9.372 8.537 16.215 828 HA SER 14 HA SER 14 11.545 10.051 16.849 829 1HB SER 14 2HB SER 14 11.086 7.161 17.616 830 2HB SER 14 1HB SER 14 12.195 8.263 18.432 831 HG SER 14 HG SER 14 10.547 9.302 19.310 832 H GLU 15 H GLU 15 13.717 10.030 16.555 833 HA GLU 15 HA GLU 15 14.845 9.170 14.208 834 1HB GLU 15 2HB GLU 15 16.240 9.607 16.845 835 2HB GLU 15 1HB GLU 15 17.031 9.557 15.276 836 1HG GLU 15 2HG GLU 15 15.765 11.521 14.571 837 2HG GLU 15 1HG GLU 15 14.970 11.572 16.143 838 H GLU 16 H GLU 16 15.097 7.539 17.346 839 HA GLU 16 HA GLU 16 16.662 5.398 16.415 840 1HB GLU 16 2HB GLU 16 15.973 4.237 18.476 841 2HB GLU 16 1HB GLU 16 16.459 5.898 18.794 842 1HG GLU 16 2HG GLU 16 14.112 6.566 18.893 843 2HG GLU 16 1HG GLU 16 13.627 4.902 18.575 844 H MET 17 H MET 17 13.164 5.812 16.671 845 HA MET 17 HA MET 17 12.486 3.183 15.927 846 1HB MET 17 2HB MET 17 10.890 5.723 15.601 847 2HB MET 17 1HB MET 17 10.248 4.090 15.483 848 1HG MET 17 2HG MET 17 10.813 3.675 17.806 849 2HG MET 17 1HG MET 17 11.508 5.288 17.937 850 1HE MET 17 1HE MET 17 7.575 3.551 17.875 851 2HE MET 17 2HE MET 17 8.622 3.532 16.457 852 3HE MET 17 3HE MET 17 7.288 4.681 16.552 853 H GLN 18 H GLN 18 12.749 6.168 14.007 854 HA GLN 18 HA GLN 18 12.093 4.920 11.545 855 1HB GLN 18 2HB GLN 18 13.023 6.952 10.499 856 2HB GLN 18 1HB GLN 18 11.890 7.321 11.791 857 1HG GLN 18 2HG GLN 18 13.805 7.706 13.300 858 2HG GLN 18 1HG GLN 18 14.890 7.439 11.937 859 1HE2 GLN 18 1HE2 GLN 18 13.097 9.684 13.650 860 2HE2 GLN 18 2HE2 GLN 18 13.214 11.003 12.551 861 H GLN 19 H GLN 19 15.124 5.554 13.219 862 HA GLN 19 HA GLN 19 16.813 4.688 11.115 863 1HB GLN 19 2HB GLN 19 17.195 5.106 14.063 864 2HB GLN 19 1HB GLN 19 18.475 4.400 13.083 865 1HG GLN 19 2HG GLN 19 18.445 6.394 11.648 866 2HG GLN 19 1HG GLN 19 17.203 7.097 12.682 867 1HE2 GLN 19 1HE2 GLN 19 18.012 8.592 13.942 868 2HE2 GLN 19 2HE2 GLN 19 19.549 8.552 14.730 869 H ASP 20 H ASP 20 15.315 3.066 13.857 870 HA ASP 20 HA ASP 20 16.649 0.580 13.496 871 1HB ASP 20 2HB ASP 20 15.591 1.195 15.634 872 2HB ASP 20 1HB ASP 20 14.010 1.179 14.858 873 H SER 21 H SER 21 13.666 1.963 12.267 874 HA SER 21 HA SER 21 12.684 -0.424 11.092 875 1HB SER 21 2HB SER 21 11.219 1.506 11.519 876 2HB SER 21 1HB SER 21 12.128 2.461 10.348 877 HG SER 21 HG SER 21 11.452 0.998 8.736 878 H VAL 22 H VAL 22 14.677 2.242 9.920 879 HA VAL 22 HA VAL 22 14.857 1.389 7.237 880 HB VAL 22 HB VAL 22 16.865 3.005 8.814 881 1HG1 VAL 22 1HG1 VAL 22 17.190 3.934 6.376 882 2HG1 VAL 22 2HG1 VAL 22 16.576 2.345 5.924 883 3HG1 VAL 22 3HG1 VAL 22 18.031 2.479 6.911 884 1HG2 VAL 22 1HG2 VAL 22 14.273 3.687 8.375 885 2HG2 VAL 22 2HG2 VAL 22 15.056 4.373 6.951 886 3HG2 VAL 22 3HG2 VAL 22 15.593 4.841 8.564 887 H GLU 23 H GLU 23 17.005 0.911 10.016 888 HA GLU 23 HA GLU 23 18.885 -0.694 8.647 889 1HB GLU 23 2HB GLU 23 19.497 0.402 10.712 890 2HB GLU 23 1HB GLU 23 18.220 -0.433 11.584 891 1HG GLU 23 2HG GLU 23 20.404 -1.386 12.053 892 2HG GLU 23 1HG GLU 23 19.345 -2.547 11.257 893 H CYS 24 H CYS 24 16.040 -1.390 10.597 894 HA CYS 24 HA CYS 24 16.256 -4.186 10.650 895 1HB CYS 24 2HB CYS 24 14.717 -2.942 12.100 896 2HB CYS 24 1HB CYS 24 13.766 -2.466 10.699 897 HG CYS 24 HG CYS 24 12.461 -4.479 11.157 898 H ALA 25 H ALA 25 14.993 -1.981 8.233 899 HA ALA 25 HA ALA 25 13.706 -3.949 6.636 900 1HB ALA 25 1HB ALA 25 13.097 -2.221 5.317 901 2HB ALA 25 2HB ALA 25 14.723 -1.539 5.284 902 3HB ALA 25 3HB ALA 25 13.671 -1.240 6.667 903 H THR 26 H THR 26 16.897 -2.477 6.704 904 HA THR 26 HA THR 26 17.895 -3.551 4.336 905 HB THR 26 HB THR 26 19.381 -2.908 6.889 906 HG1 THR 26 1HG THR 26 18.138 -1.197 5.802 907 1HG2 THR 26 1HG2 THR 26 21.047 -3.954 5.760 908 2HG2 THR 26 2HG2 THR 26 21.178 -2.349 5.041 909 3HG2 THR 26 3HG2 THR 26 20.332 -3.636 4.180 910 H GLN 27 H GLN 27 17.943 -4.793 7.638 911 HA GLN 27 HA GLN 27 19.362 -7.160 7.134 912 1HB GLN 27 2HB GLN 27 18.969 -6.301 9.398 913 2HB GLN 27 1HB GLN 27 17.244 -6.589 9.219 914 1HG GLN 27 2HG GLN 27 17.657 -8.980 9.031 915 2HG GLN 27 1HG GLN 27 19.388 -8.696 9.207 916 1HE2 GLN 27 1HE2 GLN 27 20.114 -9.110 11.155 917 2HE2 GLN 27 2HE2 GLN 27 19.250 -8.912 12.637 918 H ALA 28 H ALA 28 15.962 -6.312 6.904 919 HA ALA 28 HA ALA 28 14.819 -8.817 6.552 920 1HB ALA 28 1HB ALA 28 13.851 -6.316 6.584 921 2HB ALA 28 2HB ALA 28 12.934 -7.696 5.979 922 3HB ALA 28 3HB ALA 28 13.781 -6.635 4.852 923 H LEU 29 H LEU 29 16.183 -6.620 4.108 924 HA LEU 29 HA LEU 29 15.657 -8.237 1.883 925 1HB LEU 29 2HB LEU 29 17.731 -6.128 2.398 926 2HB LEU 29 1HB LEU 29 17.602 -6.950 0.853 927 HG LEU 29 HG LEU 29 15.300 -5.479 2.103 928 1HD1 LEU 29 1HD1 LEU 29 17.208 -4.436 0.013 929 2HD1 LEU 29 2HD1 LEU 29 17.231 -3.961 1.711 930 3HD1 LEU 29 3HD1 LEU 29 15.827 -3.589 0.710 931 1HD2 LEU 29 1HD2 LEU 29 14.675 -7.107 0.433 932 2HD2 LEU 29 2HD2 LEU 29 15.858 -6.448 -0.695 933 3HD2 LEU 29 3HD2 LEU 29 14.464 -5.481 -0.214 934 H GLU 30 H GLU 30 18.521 -7.986 3.936 935 HA GLU 30 HA GLU 30 20.094 -9.866 2.553 936 1HB GLU 30 2HB GLU 30 20.187 -9.073 5.469 937 2HB GLU 30 1HB GLU 30 21.448 -9.949 4.613 938 1HG GLU 30 2HG GLU 30 21.777 -8.036 3.133 939 2HG GLU 30 1HG GLU 30 20.513 -7.156 3.990 940 H LYS 31 H LYS 31 17.640 -10.226 5.027 941 HA LYS 31 HA LYS 31 18.264 -13.001 5.488 942 1HB LYS 31 2HB LYS 31 16.020 -11.251 6.481 943 2HB LYS 31 1HB LYS 31 16.225 -12.936 6.939 944 1HG LYS 31 2HG LYS 31 18.390 -12.408 7.930 945 2HG LYS 31 1HG LYS 31 18.198 -10.720 7.459 946 1HD LYS 31 2HD LYS 31 17.615 -11.043 9.805 947 2HD LYS 31 1HD LYS 31 16.204 -10.554 8.868 948 1HE LYS 31 2HE LYS 31 15.466 -12.881 8.760 949 2HE LYS 31 1HE LYS 31 16.884 -13.378 9.683 950 1HZ LYS 31 1HZ LYS 31 16.074 -12.434 11.603 951 2HZ LYS 31 2HZ LYS 31 14.651 -13.007 10.891 952 3HZ LYS 31 3HZ LYS 31 15.043 -11.366 10.790 953 H TYR 32 H TYR 32 15.725 -11.168 3.835 954 HA TYR 32 HA TYR 32 14.819 -13.719 2.682 955 1HB TYR 32 2HB TYR 32 13.154 -11.247 3.173 956 2HB TYR 32 1HB TYR 32 12.579 -12.752 2.464 957 HD1 TYR 32 1HD TYR 32 14.328 -11.564 5.548 958 HD2 TYR 32 2HD TYR 32 11.482 -14.231 3.853 959 HE1 TYR 32 1HE TYR 32 13.786 -12.404 7.795 960 HE2 TYR 32 2HE TYR 32 10.929 -15.076 6.095 961 HH TYR 32 HH TYR 32 12.361 -15.155 8.437 962 H ASN 33 H ASN 33 15.137 -10.244 2.015 963 HA ASN 33 HA ASN 33 15.625 -9.120 0.093 964 1HB ASN 33 2HB ASN 33 17.350 -10.959 -0.172 965 2HB ASN 33 1HB ASN 33 16.183 -11.805 -1.179 966 1HD2 ASN 33 1HD2 ASN 33 18.797 -9.872 -1.259 967 2HD2 ASN 33 2HD2 ASN 33 18.574 -9.121 -2.799 968 H ILE 34 H ILE 34 13.002 -9.588 0.638 969 HA ILE 34 HA ILE 34 11.844 -9.609 -2.030 970 HB ILE 34 HB ILE 34 10.840 -11.465 0.134 971 1HG1 ILE 34 2HG1 ILE 34 12.833 -12.312 -1.053 972 2HG1 ILE 34 1HG1 ILE 34 11.401 -13.270 -1.406 973 1HG2 ILE 34 1HG2 ILE 34 9.710 -10.697 -2.540 974 2HG2 ILE 34 2HG2 ILE 34 8.928 -10.658 -0.960 975 3HG2 ILE 34 3HG2 ILE 34 9.274 -12.204 -1.734 976 1HD1 ILE 34 1HD1 ILE 34 12.978 -12.666 -3.329 977 2HD1 ILE 34 2HD1 ILE 34 12.255 -11.061 -3.230 978 3HD1 ILE 34 3HD1 ILE 34 11.244 -12.463 -3.574 979 H GLU 35 H GLU 35 10.420 -8.008 -2.192 980 HA GLU 35 HA GLU 35 9.906 -6.117 -0.306 981 1HB GLU 35 2HB GLU 35 7.921 -5.485 -1.660 982 2HB GLU 35 1HB GLU 35 9.370 -5.749 -2.621 983 1HG GLU 35 2HG GLU 35 8.554 -7.996 -3.196 984 2HG GLU 35 1HG GLU 35 7.082 -7.676 -2.281 985 H LYS 36 H LYS 36 7.872 -8.957 -0.968 986 HA LYS 36 HA LYS 36 5.859 -8.328 0.903 987 1HB LYS 36 2HB LYS 36 5.533 -9.959 -0.888 988 2HB LYS 36 1HB LYS 36 6.732 -11.016 -0.160 989 1HG LYS 36 2HG LYS 36 5.262 -11.141 1.865 990 2HG LYS 36 1HG LYS 36 4.031 -10.279 0.936 991 1HD LYS 36 2HD LYS 36 3.624 -12.664 0.846 992 2HD LYS 36 1HD LYS 36 4.079 -12.067 -0.749 993 1HE LYS 36 2HE LYS 36 6.350 -12.878 -0.422 994 2HE LYS 36 1HE LYS 36 5.935 -13.431 1.200 995 1HZ LYS 36 1HZ LYS 36 5.552 -15.360 0.158 996 2HZ LYS 36 2HZ LYS 36 5.379 -14.646 -1.366 997 3HZ LYS 36 3HZ LYS 36 4.077 -14.661 -0.288 998 H ASP 37 H ASP 37 8.495 -10.711 1.145 999 HA ASP 37 HA ASP 37 8.106 -11.488 3.764 1000 1HB ASP 37 2HB ASP 37 10.682 -11.274 2.203 1001 2HB ASP 37 1HB ASP 37 10.538 -12.094 3.754 1002 H ILE 38 H ILE 38 10.098 -8.784 2.590 1003 HA ILE 38 HA ILE 38 11.314 -7.979 4.915 1004 HB ILE 38 HB ILE 38 10.131 -6.234 2.749 1005 1HG1 ILE 38 2HG1 ILE 38 12.983 -7.129 3.178 1006 2HG1 ILE 38 1HG1 ILE 38 11.867 -7.906 2.067 1007 1HG2 ILE 38 1HG2 ILE 38 11.481 -4.431 3.513 1008 2HG2 ILE 38 2HG2 ILE 38 12.266 -5.448 4.716 1009 3HG2 ILE 38 3HG2 ILE 38 10.567 -5.020 4.900 1010 1HD1 ILE 38 1HD1 ILE 38 12.766 -6.526 0.561 1011 2HD1 ILE 38 2HD1 ILE 38 13.377 -5.422 1.791 1012 3HD1 ILE 38 3HD1 ILE 38 11.696 -5.318 1.272 1013 H ALA 39 H ALA 39 8.142 -6.891 3.746 1014 HA ALA 39 HA ALA 39 7.485 -5.371 6.022 1015 1HB ALA 39 1HB ALA 39 5.161 -5.482 5.116 1016 2HB ALA 39 2HB ALA 39 5.756 -6.590 3.880 1017 3HB ALA 39 3HB ALA 39 6.373 -4.941 3.955 1018 H ALA 40 H ALA 40 7.279 -8.775 5.382 1019 HA ALA 40 HA ALA 40 5.237 -9.402 7.240 1020 1HB ALA 40 1HB ALA 40 6.862 -11.655 7.039 1021 2HB ALA 40 2HB ALA 40 7.020 -10.834 5.486 1022 3HB ALA 40 3HB ALA 40 5.425 -11.286 6.086 1023 H HIS 41 H HIS 41 8.741 -10.046 7.517 1024 HA HIS 41 HA HIS 41 8.614 -10.692 10.251 1025 1HB HIS 41 2HB HIS 41 10.807 -11.195 10.034 1026 2HB HIS 41 1HB HIS 41 10.488 -10.982 8.318 1027 HD1 HIS 41 1HD HIS 41 11.806 -9.008 11.270 1028 HD2 HIS 41 2HD HIS 41 12.008 -9.063 7.121 1029 HE1 HIS 41 1HE HIS 41 13.533 -7.291 10.664 1030 HE2 HIS 41 2HE HIS 41 13.772 -7.476 8.169 1031 H ILE 42 H ILE 42 9.564 -7.674 8.612 1032 HA ILE 42 HA ILE 42 10.303 -6.245 10.902 1033 HB ILE 42 HB ILE 42 9.097 -5.158 8.353 1034 1HG1 ILE 42 2HG1 ILE 42 11.992 -5.470 9.148 1035 2HG1 ILE 42 1HG1 ILE 42 11.137 -6.543 8.045 1036 1HG2 ILE 42 1HG2 ILE 42 8.993 -3.509 10.112 1037 2HG2 ILE 42 2HG2 ILE 42 10.264 -3.073 8.970 1038 3HG2 ILE 42 3HG2 ILE 42 10.684 -3.796 10.523 1039 1HD1 ILE 42 1HD1 ILE 42 10.636 -4.324 6.764 1040 2HD1 ILE 42 2HD1 ILE 42 12.183 -5.147 6.583 1041 3HD1 ILE 42 3HD1 ILE 42 12.049 -3.746 7.646 1042 H LYS 43 H LYS 43 7.153 -6.487 9.284 1043 HA LYS 43 HA LYS 43 5.737 -4.675 10.851 1044 1HB LYS 43 2HB LYS 43 4.810 -5.605 8.815 1045 2HB LYS 43 1HB LYS 43 4.809 -7.215 9.517 1046 1HG LYS 43 2HG LYS 43 3.123 -6.540 11.125 1047 2HG LYS 43 1HG LYS 43 3.155 -4.897 10.487 1048 1HD LYS 43 2HD LYS 43 1.256 -6.016 9.555 1049 2HD LYS 43 1HD LYS 43 2.451 -5.818 8.276 1050 1HE LYS 43 2HE LYS 43 2.119 -8.341 9.891 1051 2HE LYS 43 1HE LYS 43 1.326 -8.057 8.345 1052 1HZ LYS 43 1HZ LYS 43 3.139 -8.978 7.478 1053 2HZ LYS 43 2HZ LYS 43 4.043 -8.801 8.894 1054 3HZ LYS 43 3HZ LYS 43 3.918 -7.511 7.805 1055 H LYS 44 H LYS 44 6.131 -8.187 11.295 1056 HA LYS 44 HA LYS 44 4.627 -8.342 13.673 1057 1HB LYS 44 2HB LYS 44 6.856 -10.137 12.698 1058 2HB LYS 44 1HB LYS 44 5.727 -10.530 13.989 1059 1HG LYS 44 2HG LYS 44 3.875 -10.450 12.410 1060 2HG LYS 44 1HG LYS 44 4.994 -10.026 11.112 1061 1HD LYS 44 2HD LYS 44 6.162 -12.156 11.430 1062 2HD LYS 44 1HD LYS 44 5.037 -12.578 12.723 1063 1HE LYS 44 2HE LYS 44 4.316 -12.084 9.836 1064 2HE LYS 44 1HE LYS 44 4.426 -13.660 10.618 1065 1HZ LYS 44 1HZ LYS 44 2.319 -13.434 11.209 1066 2HZ LYS 44 2HZ LYS 44 2.247 -11.878 10.551 1067 3HZ LYS 44 3HZ LYS 44 2.721 -12.094 12.160 1068 H GLU 45 H GLU 45 8.087 -7.855 13.106 1069 HA GLU 45 HA GLU 45 8.998 -8.096 15.720 1070 1HB GLU 45 2HB GLU 45 10.490 -7.908 13.783 1071 2HB GLU 45 1HB GLU 45 10.003 -6.232 13.561 1072 1HG GLU 45 2HG GLU 45 12.164 -6.368 14.641 1073 2HG GLU 45 1HG GLU 45 10.968 -5.656 15.724 1074 H PHE 46 H PHE 46 7.975 -5.117 14.033 1075 HA PHE 46 HA PHE 46 8.197 -3.514 16.377 1076 1HB PHE 46 2HB PHE 46 6.896 -3.051 13.700 1077 2HB PHE 46 1HB PHE 46 6.837 -1.855 14.991 1078 HD1 PHE 46 1HD PHE 46 9.390 -3.987 13.273 1079 HD2 PHE 46 2HD PHE 46 8.400 -0.198 14.929 1080 HE1 PHE 46 1HE PHE 46 11.584 -3.112 12.576 1081 HE2 PHE 46 2HE PHE 46 10.585 0.686 14.235 1082 HZ PHE 46 HZ PHE 46 12.183 -0.769 13.055 1083 H ASP 47 H ASP 47 5.502 -5.091 14.730 1084 HA ASP 47 HA ASP 47 3.401 -4.077 16.242 1085 1HB ASP 47 2HB ASP 47 3.042 -5.353 14.198 1086 2HB ASP 47 1HB ASP 47 3.714 -6.796 14.949 1087 H LYS 48 H LYS 48 5.524 -6.824 16.838 1088 HA LYS 48 HA LYS 48 4.166 -7.633 19.232 1089 1HB LYS 48 2HB LYS 48 5.269 -9.291 17.874 1090 2HB LYS 48 1HB LYS 48 6.805 -8.444 18.020 1091 1HG LYS 48 2HG LYS 48 6.632 -10.434 19.463 1092 2HG LYS 48 1HG LYS 48 6.921 -8.937 20.356 1093 1HD LYS 48 2HD LYS 48 4.454 -8.800 20.752 1094 2HD LYS 48 1HD LYS 48 4.311 -10.415 20.052 1095 1HE LYS 48 2HE LYS 48 5.932 -9.659 22.471 1096 2HE LYS 48 1HE LYS 48 4.380 -10.492 22.486 1097 1HZ LYS 48 1HZ LYS 48 5.742 -12.279 22.591 1098 2HZ LYS 48 2HZ LYS 48 7.027 -11.509 21.809 1099 3HZ LYS 48 3HZ LYS 48 5.729 -12.112 20.907 1100 H LYS 49 H LYS 49 7.211 -5.978 18.517 1101 HA LYS 49 HA LYS 49 7.964 -5.743 21.254 1102 1HB LYS 49 2HB LYS 49 8.984 -4.366 18.776 1103 2HB LYS 49 1HB LYS 49 9.714 -4.195 20.366 1104 1HG LYS 49 2HG LYS 49 9.465 -6.738 18.773 1105 2HG LYS 49 1HG LYS 49 10.939 -5.808 19.060 1106 1HD LYS 49 2HD LYS 49 10.712 -6.221 21.468 1107 2HD LYS 49 1HD LYS 49 9.261 -7.175 21.158 1108 1HE LYS 49 2HE LYS 49 10.581 -8.743 19.820 1109 2HE LYS 49 1HE LYS 49 12.031 -7.787 20.127 1110 1HZ LYS 49 1HZ LYS 49 10.544 -8.668 22.468 1111 2HZ LYS 49 2HZ LYS 49 12.215 -8.576 22.217 1112 3HZ LYS 49 3HZ LYS 49 11.337 -9.880 21.593 1113 H TYR 50 H TYR 50 7.180 -3.225 18.907 1114 HA TYR 50 HA TYR 50 6.741 -1.297 20.986 1115 1HB TYR 50 2HB TYR 50 6.408 -1.131 17.991 1116 2HB TYR 50 1HB TYR 50 6.181 0.230 19.087 1117 HD1 TYR 50 1HD TYR 50 8.757 -2.448 18.606 1118 HD2 TYR 50 2HD TYR 50 7.958 1.695 19.143 1119 HE1 TYR 50 1HE TYR 50 11.160 -1.992 18.540 1120 HE2 TYR 50 2HE TYR 50 10.370 2.170 19.069 1121 HH TYR 50 HH TYR 50 12.732 -0.275 19.279 1122 H ASN 51 H ASN 51 4.780 -3.594 19.448 1123 HA ASN 51 HA ASN 51 2.616 -4.155 20.071 1124 1HB ASN 51 2HB ASN 51 2.194 -1.265 20.866 1125 2HB ASN 51 1HB ASN 51 1.100 -2.611 21.157 1126 1HD2 ASN 51 1HD2 ASN 51 3.266 -0.672 22.596 1127 2HD2 ASN 51 2HD2 ASN 51 3.796 -1.701 23.877 1128 HA PRO 52 HA PRO 52 0.999 -3.263 16.110 1129 1HB PRO 52 2HB PRO 52 -1.679 -3.791 16.551 1130 2HB PRO 52 1HB PRO 52 -0.454 -5.020 16.231 1131 1HG PRO 52 2HG PRO 52 -1.630 -4.142 18.828 1132 2HG PRO 52 1HG PRO 52 -1.176 -5.770 18.295 1133 1HD PRO 52 2HD PRO 52 0.349 -4.324 19.991 1134 2HD PRO 52 1HD PRO 52 1.050 -5.453 18.816 1135 H THR 53 H THR 53 -1.197 -0.437 15.729 1136 HA THR 53 HA THR 53 -0.298 -3.067 14.772 1137 HB THR 53 HB THR 53 -2.746 -2.804 14.823 1138 HG1 THR 53 1HG THR 53 -1.777 -2.760 12.161 1139 1HG2 THR 53 1HG2 THR 53 -2.259 -0.217 13.895 1140 2HG2 THR 53 2HG2 THR 53 -3.819 -0.998 14.154 1141 3HG2 THR 53 3HG2 THR 53 -3.049 -1.068 12.570 1142 H TRP 54 H TRP 54 1.466 -2.867 13.569 1143 HA TRP 54 HA TRP 54 1.986 -0.393 12.146 1144 1HB TRP 54 2HB TRP 54 3.691 -2.864 12.428 1145 2HB TRP 54 1HB TRP 54 4.203 -1.330 11.726 1146 HD1 TRP 54 HD TRP 54 2.630 -2.430 15.101 1147 HE1 TRP 54 1HE TRP 54 3.825 -1.152 16.979 1148 HE3 TRP 54 3HE TRP 54 5.827 0.362 12.255 1149 HZ2 TRP 54 2HZ TRP 54 5.856 0.797 17.225 1150 HZ3 TRP 54 3HZ TRP 54 7.362 1.919 13.391 1151 HH2 TRP 54 HH TRP 54 7.372 2.132 15.824 1152 H HIS 55 H HIS 55 1.625 -0.062 10.110 1153 HA HIS 55 HA HIS 55 0.950 -2.325 8.373 1154 1HB HIS 55 2HB HIS 55 0.521 0.618 7.821 1155 2HB HIS 55 1HB HIS 55 -0.220 -0.751 6.994 1156 HD1 HIS 55 1HD HIS 55 -1.544 -2.363 9.008 1157 HD2 HIS 55 2HD HIS 55 -1.300 1.759 9.446 1158 HE1 HIS 55 1HE HIS 55 -3.381 -1.746 10.610 1159 HE2 HIS 55 2HE HIS 55 -3.313 0.769 10.730 1160 H CYS 56 H CYS 56 2.278 -2.854 6.691 1161 HA CYS 56 HA CYS 56 4.461 -0.971 6.082 1162 1HB CYS 56 2HB CYS 56 5.278 -2.817 7.493 1163 2HB CYS 56 1HB CYS 56 4.715 -3.974 6.291 1164 HG CYS 56 HG CYS 56 7.358 -2.634 6.239 1165 H ILE 57 H ILE 57 5.304 -0.987 4.009 1166 HA ILE 57 HA ILE 57 4.015 -2.610 1.962 1167 HB ILE 57 HB ILE 57 4.042 0.407 1.786 1168 1HG1 ILE 57 2HG1 ILE 57 1.739 -1.495 2.264 1169 2HG1 ILE 57 1HG1 ILE 57 2.383 -0.334 3.419 1170 1HG2 ILE 57 1HG2 ILE 57 3.666 -1.718 -0.151 1171 2HG2 ILE 57 2HG2 ILE 57 3.909 0.010 -0.402 1172 3HG2 ILE 57 3HG2 ILE 57 2.289 -0.616 -0.097 1173 1HD1 ILE 57 1HD1 ILE 57 0.820 0.180 0.919 1174 2HD1 ILE 57 2HD1 ILE 57 1.766 1.445 1.707 1175 3HD1 ILE 57 3HD1 ILE 57 0.450 0.656 2.578 1176 H VAL 58 H VAL 58 5.318 -2.919 0.159 1177 HA VAL 58 HA VAL 58 7.697 -1.323 -0.220 1178 HB VAL 58 HB VAL 58 7.977 -4.262 0.430 1179 1HG1 VAL 58 1HG1 VAL 58 9.691 -2.385 -0.943 1180 2HG1 VAL 58 2HG1 VAL 58 9.864 -4.127 -0.740 1181 3HG1 VAL 58 3HG1 VAL 58 10.471 -3.031 0.501 1182 1HG2 VAL 58 1HG2 VAL 58 7.564 -3.092 2.467 1183 2HG2 VAL 58 2HG2 VAL 58 8.686 -1.806 2.023 1184 3HG2 VAL 58 3HG2 VAL 58 9.295 -3.422 2.385 1185 H GLY 59 H GLY 59 8.364 -1.332 -2.303 1186 1HA GLY 59 2HA GLY 59 8.041 -3.474 -4.109 1187 2HA GLY 59 1HA GLY 59 6.706 -2.349 -4.314 1188 H ARG 60 H ARG 60 7.146 -1.396 -6.215 1189 HA ARG 60 HA ARG 60 9.231 0.542 -6.344 1190 1HB ARG 60 2HB ARG 60 10.526 -0.423 -8.195 1191 2HB ARG 60 1HB ARG 60 10.617 -1.428 -6.753 1192 1HG ARG 60 2HG ARG 60 8.991 -2.964 -7.682 1193 2HG ARG 60 1HG ARG 60 8.801 -1.934 -9.102 1194 1HD ARG 60 2HD ARG 60 10.255 -3.812 -9.604 1195 2HD ARG 60 1HD ARG 60 11.155 -2.298 -9.675 1196 HE ARG 60 HE ARG 60 11.421 -3.381 -7.105 1197 1HH1 ARG 60 1HH1 ARG 60 12.391 -4.046 -10.391 1198 2HH1 ARG 60 2HH1 ARG 60 13.837 -4.883 -9.928 1199 1HH2 ARG 60 1HH2 ARG 60 13.323 -4.483 -6.495 1200 2HH2 ARG 60 2HH2 ARG 60 14.365 -5.130 -7.717 1201 H ASN 61 H ASN 61 6.361 0.341 -6.780 1202 HA ASN 61 HA ASN 61 5.864 2.129 -8.743 1203 1HB ASN 61 2HB ASN 61 6.833 0.589 -10.404 1204 2HB ASN 61 1HB ASN 61 5.688 -0.657 -9.930 1205 1HD2 ASN 61 1HD2 ASN 61 4.327 2.464 -9.905 1206 2HD2 ASN 61 2HD2 ASN 61 3.527 2.374 -11.430 1207 H PHE 62 H PHE 62 4.363 2.477 -6.987 1208 HA PHE 62 HA PHE 62 1.784 1.376 -7.504 1209 1HB PHE 62 2HB PHE 62 1.475 0.172 -5.405 1210 2HB PHE 62 1HB PHE 62 2.811 -0.519 -6.322 1211 HD1 PHE 62 1HD PHE 62 2.021 1.777 -3.519 1212 HD2 PHE 62 2HD PHE 62 4.944 -0.701 -5.370 1213 HE1 PHE 62 1HE PHE 62 3.507 2.087 -1.582 1214 HE2 PHE 62 2HE PHE 62 6.430 -0.400 -3.434 1215 HZ PHE 62 HZ PHE 62 5.714 0.994 -1.537 1216 H GLY 63 H GLY 63 0.178 2.590 -6.689 1217 1HA GLY 63 2HA GLY 63 0.937 4.965 -5.142 1218 2HA GLY 63 1HA GLY 63 -0.590 4.721 -5.988 1219 H SER 64 H SER 64 0.269 5.314 -3.027 1220 HA SER 64 HA SER 64 -1.666 3.404 -1.927 1221 1HB SER 64 2HB SER 64 0.482 2.411 -1.447 1222 2HB SER 64 1HB SER 64 1.073 3.926 -0.766 1223 HG SER 64 HG SER 64 -1.253 2.860 0.337 1224 H TYR 65 H TYR 65 -2.812 4.013 -0.176 1225 HA TYR 65 HA TYR 65 -2.387 6.658 0.984 1226 1HB TYR 65 2HB TYR 65 -4.823 5.758 -0.499 1227 2HB TYR 65 1HB TYR 65 -5.021 6.814 0.896 1228 HD1 TYR 65 1HD TYR 65 -2.965 6.589 -2.227 1229 HD2 TYR 65 2HD TYR 65 -5.026 9.079 0.537 1230 HE1 TYR 65 1HE TYR 65 -2.455 8.550 -3.621 1231 HE2 TYR 65 2HE TYR 65 -4.526 11.045 -0.846 1232 HH TYR 65 HH TYR 65 -3.512 10.873 -3.986 1233 H VAL 66 H VAL 66 -2.783 6.723 3.135 1234 HA VAL 66 HA VAL 66 -4.406 4.704 4.455 1235 HB VAL 66 HB VAL 66 -1.460 4.927 5.088 1236 1HG1 VAL 66 1HG1 VAL 66 -3.710 3.326 6.241 1237 2HG1 VAL 66 2HG1 VAL 66 -2.473 4.273 7.065 1238 3HG1 VAL 66 3HG1 VAL 66 -2.055 2.727 6.326 1239 1HG2 VAL 66 1HG2 VAL 66 -1.340 2.579 4.197 1240 2HG2 VAL 66 2HG2 VAL 66 -1.616 3.823 2.980 1241 3HG2 VAL 66 3HG2 VAL 66 -2.955 2.820 3.535 1242 H THR 67 H THR 67 -4.329 5.067 6.907 1243 HA THR 67 HA THR 67 -3.838 7.911 7.507 1244 HB THR 67 HB THR 67 -6.071 6.150 8.558 1245 HG1 THR 67 1HG THR 67 -6.100 8.390 6.822 1246 1HG2 THR 67 1HG2 THR 67 -5.873 9.096 9.011 1247 2HG2 THR 67 2HG2 THR 67 -5.118 7.954 10.123 1248 3HG2 THR 67 3HG2 THR 67 -6.861 7.898 9.848 1249 H HIS 68 H HIS 68 -2.938 8.389 9.531 1250 HA HIS 68 HA HIS 68 -2.430 6.284 11.440 1251 1HB HIS 68 2HB HIS 68 0.047 6.467 11.227 1252 2HB HIS 68 1HB HIS 68 -0.723 5.769 9.803 1253 HD1 HIS 68 1HD HIS 68 0.806 9.008 11.000 1254 HD2 HIS 68 2HD HIS 68 -0.361 7.167 7.463 1255 HE1 HIS 68 1HE HIS 68 1.608 10.517 9.162 1256 HE2 HIS 68 2HE HIS 68 0.802 9.438 7.037 1257 H GLU 69 H GLU 69 -1.829 7.038 13.435 1258 HA GLU 69 HA GLU 69 -2.354 9.747 14.050 1259 1HB GLU 69 2HB GLU 69 -1.685 9.174 16.319 1260 2HB GLU 69 1HB GLU 69 -2.696 7.901 15.647 1261 1HG GLU 69 2HG GLU 69 -0.734 6.548 15.198 1262 2HG GLU 69 1HG GLU 69 0.307 7.836 15.804 1263 H THR 70 H THR 70 -0.934 11.350 14.894 1264 HA THR 70 HA THR 70 1.405 11.750 13.426 1265 HB THR 70 HB THR 70 1.886 13.568 15.093 1266 HG1 THR 70 1HG THR 70 -0.569 12.764 16.247 1267 1HG2 THR 70 1HG2 THR 70 0.477 14.953 14.082 1268 2HG2 THR 70 2HG2 THR 70 -0.943 14.035 14.585 1269 3HG2 THR 70 3HG2 THR 70 -0.028 13.537 13.161 1270 H LYS 71 H LYS 71 3.587 11.821 14.028 1271 HA LYS 71 HA LYS 71 5.510 11.020 14.917 1272 1HB LYS 71 2HB LYS 71 3.844 10.683 17.416 1273 2HB LYS 71 1HB LYS 71 5.602 10.633 17.342 1274 1HG LYS 71 2HG LYS 71 3.835 12.996 16.744 1275 2HG LYS 71 1HG LYS 71 4.902 12.788 18.133 1276 1HD LYS 71 2HD LYS 71 6.845 12.823 16.697 1277 2HD LYS 71 1HD LYS 71 5.822 12.886 15.261 1278 1HE LYS 71 2HE LYS 71 6.017 14.997 17.404 1279 2HE LYS 71 1HE LYS 71 6.716 15.084 15.789 1280 1HZ LYS 71 1HZ LYS 71 4.414 14.884 14.913 1281 2HZ LYS 71 2HZ LYS 71 4.695 16.305 15.783 1282 3HZ LYS 71 3HZ LYS 71 3.836 15.035 16.496 1283 H HIS 72 H HIS 72 3.902 9.284 13.460 1284 HA HIS 72 HA HIS 72 5.072 6.787 14.172 1285 1HB HIS 72 2HB HIS 72 2.087 7.127 14.489 1286 2HB HIS 72 1HB HIS 72 2.848 5.556 14.260 1287 HD1 HIS 72 1HD HIS 72 4.958 5.247 16.149 1288 HD2 HIS 72 2HD HIS 72 1.689 7.624 17.109 1289 HE1 HIS 72 1HE HIS 72 4.950 5.399 18.659 1290 HE2 HIS 72 2HE HIS 72 2.909 6.764 19.220 1291 H PHE 73 H PHE 73 5.804 7.677 12.020 1292 HA PHE 73 HA PHE 73 4.696 6.139 9.949 1293 1HB PHE 73 2HB PHE 73 2.905 7.676 9.798 1294 2HB PHE 73 1HB PHE 73 3.976 9.060 9.985 1295 HD1 PHE 73 1HD PHE 73 5.535 9.646 8.114 1296 HD2 PHE 73 2HD PHE 73 2.398 6.806 7.680 1297 HE1 PHE 73 1HE PHE 73 5.675 9.878 5.673 1298 HE2 PHE 73 2HE PHE 73 2.535 7.024 5.234 1299 HZ PHE 73 HZ PHE 73 4.174 8.563 4.225 1300 H ILE 74 H ILE 74 6.089 5.919 8.252 1301 HA ILE 74 HA ILE 74 8.147 7.865 7.739 1302 HB ILE 74 HB ILE 74 9.135 6.758 9.666 1303 1HG1 ILE 74 2HG1 ILE 74 10.437 5.952 7.054 1304 2HG1 ILE 74 1HG1 ILE 74 10.640 7.491 7.884 1305 1HG2 ILE 74 1HG2 ILE 74 8.760 4.226 8.077 1306 2HG2 ILE 74 2HG2 ILE 74 7.988 4.647 9.605 1307 3HG2 ILE 74 3HG2 ILE 74 9.725 4.353 9.547 1308 1HD1 ILE 74 1HD1 ILE 74 11.411 5.846 9.839 1309 2HD1 ILE 74 2HD1 ILE 74 12.513 6.479 8.617 1310 3HD1 ILE 74 3HD1 ILE 74 11.840 4.859 8.443 1311 H TYR 75 H TYR 75 9.135 7.610 5.790 1312 HA TYR 75 HA TYR 75 8.654 5.189 4.217 1313 1HB TYR 75 2HB TYR 75 6.808 6.735 3.656 1314 2HB TYR 75 1HB TYR 75 7.984 7.979 3.250 1315 HD1 TYR 75 1HD TYR 75 7.473 4.376 2.372 1316 HD2 TYR 75 2HD TYR 75 8.229 8.328 0.999 1317 HE1 TYR 75 1HE TYR 75 7.553 3.549 0.057 1318 HE2 TYR 75 2HE TYR 75 8.311 7.517 -1.319 1319 HH TYR 75 HH TYR 75 7.867 5.757 -2.677 1320 H PHE 76 H PHE 76 10.331 4.747 2.785 1321 HA PHE 76 HA PHE 76 12.249 6.722 2.035 1322 1HB PHE 76 2HB PHE 76 14.171 5.715 3.251 1323 2HB PHE 76 1HB PHE 76 12.984 6.458 4.319 1324 HD1 PHE 76 1HD PHE 76 13.821 3.143 2.822 1325 HD2 PHE 76 2HD PHE 76 12.294 5.283 6.168 1326 HE1 PHE 76 1HE PHE 76 13.651 1.039 4.083 1327 HE2 PHE 76 2HE PHE 76 12.125 3.181 7.437 1328 HZ PHE 76 HZ PHE 76 12.803 1.057 6.394 1329 H TYR 77 H TYR 77 13.512 6.085 0.361 1330 HA TYR 77 HA TYR 77 12.849 3.536 -0.861 1331 1HB TYR 77 2HB TYR 77 12.947 5.747 -2.116 1332 2HB TYR 77 1HB TYR 77 14.697 5.663 -1.950 1333 HD1 TYR 77 1HD TYR 77 11.896 3.437 -3.027 1334 HD2 TYR 77 2HD TYR 77 15.848 4.825 -3.766 1335 HE1 TYR 77 1HE TYR 77 11.999 2.043 -5.051 1336 HE2 TYR 77 2HE TYR 77 15.962 3.436 -5.794 1337 HH TYR 77 HH TYR 77 14.585 2.315 -7.342 1338 H LEU 78 H LEU 78 14.311 1.895 -1.324 1339 HA LEU 78 HA LEU 78 17.103 2.099 -0.869 1340 1HB LEU 78 2HB LEU 78 16.379 2.127 1.467 1341 2HB LEU 78 1HB LEU 78 15.504 0.630 1.225 1342 HG LEU 78 HG LEU 78 17.613 -0.547 0.796 1343 1HD1 LEU 78 1HD1 LEU 78 18.637 2.181 0.713 1344 2HD1 LEU 78 2HD1 LEU 78 19.303 0.697 0.033 1345 3HD1 LEU 78 3HD1 LEU 78 19.600 1.103 1.722 1346 1HD2 LEU 78 1HD2 LEU 78 17.884 -0.925 2.982 1347 2HD2 LEU 78 2HD2 LEU 78 16.637 0.299 3.219 1348 3HD2 LEU 78 3HD2 LEU 78 18.340 0.747 3.307 1349 H GLY 79 H GLY 79 18.236 0.314 -1.589 1350 1HA GLY 79 2HA GLY 79 18.595 -1.567 -2.850 1351 2HA GLY 79 1HA GLY 79 17.267 -2.271 -1.940 1352 H GLN 80 H GLN 80 17.187 0.476 -4.160 1353 HA GLN 80 HA GLN 80 15.910 0.893 -5.992 1354 1HB GLN 80 2HB GLN 80 16.455 -2.034 -6.522 1355 2HB GLN 80 1HB GLN 80 15.855 -0.884 -7.708 1356 1HG GLN 80 2HG GLN 80 17.918 0.407 -7.499 1357 2HG GLN 80 1HG GLN 80 18.519 -0.750 -6.314 1358 1HE2 GLN 80 1HE2 GLN 80 19.912 -2.130 -7.117 1359 2HE2 GLN 80 2HE2 GLN 80 19.924 -2.757 -8.728 1360 H VAL 81 H VAL 81 14.512 0.218 -3.601 1361 HA VAL 81 HA VAL 81 11.938 -0.398 -4.747 1362 HB VAL 81 HB VAL 81 11.401 -2.215 -3.168 1363 1HG1 VAL 81 1HG1 VAL 81 13.822 -3.007 -4.761 1364 2HG1 VAL 81 2HG1 VAL 81 12.289 -2.585 -5.522 1365 3HG1 VAL 81 3HG1 VAL 81 12.375 -3.953 -4.413 1366 1HG2 VAL 81 1HG2 VAL 81 14.355 -2.217 -2.551 1367 2HG2 VAL 81 2HG2 VAL 81 13.159 -3.364 -1.948 1368 3HG2 VAL 81 3HG2 VAL 81 13.082 -1.673 -1.458 1369 H ALA 82 H ALA 82 10.384 0.698 -3.735 1370 HA ALA 82 HA ALA 82 11.032 2.488 -1.623 1371 1HB ALA 82 1HB ALA 82 8.485 1.789 -3.040 1372 2HB ALA 82 2HB ALA 82 9.425 3.280 -3.118 1373 3HB ALA 82 3HB ALA 82 8.501 2.893 -1.666 1374 H ILE 83 H ILE 83 10.434 2.496 0.514 1375 HA ILE 83 HA ILE 83 9.142 0.068 1.557 1376 HB ILE 83 HB ILE 83 11.543 1.430 2.792 1377 1HG1 ILE 83 2HG1 ILE 83 11.278 -1.278 1.464 1378 2HG1 ILE 83 1HG1 ILE 83 12.130 0.115 0.802 1379 1HG2 ILE 83 1HG2 ILE 83 10.878 -1.176 3.840 1380 2HG2 ILE 83 2HG2 ILE 83 9.531 -0.053 4.024 1381 3HG2 ILE 83 3HG2 ILE 83 11.113 0.351 4.688 1382 1HD1 ILE 83 1HD1 ILE 83 13.401 -1.815 2.044 1383 2HD1 ILE 83 2HD1 ILE 83 12.941 -0.891 3.474 1384 3HD1 ILE 83 3HD1 ILE 83 13.905 -0.133 2.206 1385 H LEU 84 H LEU 84 7.603 0.420 3.066 1386 HA LEU 84 HA LEU 84 7.444 3.064 4.329 1387 1HB LEU 84 2HB LEU 84 5.972 3.087 2.371 1388 2HB LEU 84 1HB LEU 84 5.157 1.651 2.959 1389 HG LEU 84 HG LEU 84 4.335 2.904 4.904 1390 1HD1 LEU 84 1HD1 LEU 84 5.223 4.836 5.532 1391 2HD1 LEU 84 2HD1 LEU 84 4.828 5.565 3.976 1392 3HD1 LEU 84 3HD1 LEU 84 6.363 4.722 4.192 1393 1HD2 LEU 84 1HD2 LEU 84 2.673 2.983 3.375 1394 2HD2 LEU 84 2HD2 LEU 84 3.714 3.638 2.112 1395 3HD2 LEU 84 3HD2 LEU 84 3.071 4.700 3.365 1396 H LEU 85 H LEU 85 6.451 3.117 6.348 1397 HA LEU 85 HA LEU 85 5.213 0.792 7.483 1398 1HB LEU 85 2HB LEU 85 7.566 0.148 7.649 1399 2HB LEU 85 1HB LEU 85 7.930 1.646 8.483 1400 HG LEU 85 HG LEU 85 6.508 0.941 10.366 1401 1HD1 LEU 85 1HD1 LEU 85 6.168 -1.759 10.082 1402 2HD1 LEU 85 2HD1 LEU 85 5.780 -1.157 8.471 1403 3HD1 LEU 85 3HD1 LEU 85 4.909 -0.540 9.876 1404 1HD2 LEU 85 1HD2 LEU 85 7.959 -1.155 10.936 1405 2HD2 LEU 85 2HD2 LEU 85 8.710 0.434 10.796 1406 3HD2 LEU 85 3HD2 LEU 85 8.820 -0.715 9.462 1407 H PHE 86 H PHE 86 4.051 1.254 9.330 1408 HA PHE 86 HA PHE 86 4.456 3.424 11.040 1409 1HB PHE 86 2HB PHE 86 2.622 4.936 10.310 1410 2HB PHE 86 1HB PHE 86 3.959 4.861 9.171 1411 HD1 PHE 86 1HD PHE 86 0.608 3.353 9.796 1412 HD2 PHE 86 2HD PHE 86 3.543 4.528 6.948 1413 HE1 PHE 86 1HE PHE 86 -0.952 2.821 7.968 1414 HE2 PHE 86 2HE PHE 86 1.988 3.997 5.121 1415 HZ PHE 86 HZ PHE 86 -0.261 3.145 5.630 1416 H LYS 87 H LYS 87 3.284 3.140 12.838 1417 HA LYS 87 HA LYS 87 1.363 0.978 12.868 1418 1HB LYS 87 2HB LYS 87 1.431 1.187 15.294 1419 2HB LYS 87 1HB LYS 87 3.050 1.085 14.625 1420 1HG LYS 87 2HG LYS 87 3.354 3.464 14.887 1421 2HG LYS 87 1HG LYS 87 1.692 3.636 15.456 1422 1HD LYS 87 2HD LYS 87 3.825 1.993 16.814 1423 2HD LYS 87 1HD LYS 87 3.342 3.619 17.297 1424 1HE LYS 87 2HE LYS 87 1.058 2.802 17.695 1425 2HE LYS 87 1HE LYS 87 1.571 1.177 17.242 1426 1HZ LYS 87 1HZ LYS 87 3.115 1.184 19.101 1427 2HZ LYS 87 2HZ LYS 87 1.532 1.452 19.637 1428 3HZ LYS 87 3HZ LYS 87 2.621 2.744 19.537 1429 H SER 88 H SER 88 -0.725 1.098 13.776 1430 HA SER 88 HA SER 88 -1.899 3.793 13.759 1431 1HB SER 88 2HB SER 88 -2.524 2.623 11.694 1432 2HB SER 88 1HB SER 88 -3.141 1.270 12.641 1433 HG SER 88 HG SER 88 -4.677 2.714 13.542 1434 H GLY 89 H GLY 89 -2.855 4.303 15.608 1435 1HA GLY 89 2HA GLY 89 -4.611 2.638 17.033 1436 2HA GLY 89 1HA GLY 89 -3.030 2.557 17.796 1437 1H MET 1 1HT MET 1 -10.002 -7.707 11.873 1438 2H MET 1 2HT MET 1 -10.015 -7.249 13.528 1439 3H MET 1 3HT MET 1 -9.511 -8.826 13.075 1440 HA MET 1 HA MET 1 -8.153 -6.380 12.187 1441 1HB MET 1 2HB MET 1 -6.549 -6.808 13.998 1442 2HB MET 1 1HB MET 1 -8.155 -6.473 14.631 1443 1HG MET 1 2HG MET 1 -8.523 -8.861 14.968 1444 2HG MET 1 1HG MET 1 -6.915 -9.200 14.331 1445 1HE MET 1 1HE MET 1 -6.636 -10.638 16.368 1446 2HE MET 1 2HE MET 1 -7.920 -10.152 17.474 1447 3HE MET 1 3HE MET 1 -6.235 -10.055 17.982 1448 H LYS 2 H LYS 2 -8.743 -8.470 10.488 1449 HA LYS 2 HA LYS 2 -6.730 -10.481 10.483 1450 1HB LYS 2 2HB LYS 2 -8.595 -9.519 8.313 1451 2HB LYS 2 1HB LYS 2 -7.517 -10.897 8.138 1452 1HG LYS 2 2HG LYS 2 -9.713 -10.640 10.179 1453 2HG LYS 2 1HG LYS 2 -9.792 -11.581 8.688 1454 1HD LYS 2 2HD LYS 2 -7.922 -12.961 9.473 1455 2HD LYS 2 1HD LYS 2 -7.868 -12.026 10.970 1456 1HE LYS 2 2HE LYS 2 -9.066 -14.123 11.294 1457 2HE LYS 2 1HE LYS 2 -10.141 -12.743 11.504 1458 1HZ LYS 2 1HZ LYS 2 -9.935 -14.413 9.057 1459 2HZ LYS 2 2HZ LYS 2 -10.972 -13.094 9.263 1460 3HZ LYS 2 3HZ LYS 2 -11.182 -14.488 10.198 1461 H ASP 3 H ASP 3 -4.761 -10.497 9.617 1462 HA ASP 3 HA ASP 3 -3.705 -7.995 8.621 1463 1HB ASP 3 2HB ASP 3 -2.471 -9.364 10.288 1464 2HB ASP 3 1HB ASP 3 -2.282 -10.622 9.070 1465 H THR 4 H THR 4 -4.000 -7.530 6.525 1466 HA THR 4 HA THR 4 -4.297 -9.578 4.540 1467 HB THR 4 HB THR 4 -5.506 -7.397 4.467 1468 HG1 THR 4 1HG THR 4 -4.823 -8.743 2.534 1469 1HG2 THR 4 1HG2 THR 4 -4.544 -5.387 4.199 1470 2HG2 THR 4 2HG2 THR 4 -3.196 -6.033 3.262 1471 3HG2 THR 4 3HG2 THR 4 -3.196 -6.172 5.021 1472 H GLY 5 H GLY 5 -2.889 -10.106 2.887 1473 1HA GLY 5 2HA GLY 5 -0.267 -8.820 2.809 1474 2HA GLY 5 1HA GLY 5 -0.300 -10.533 3.211 1475 H ILE 6 H ILE 6 0.330 -8.552 0.761 1476 HA ILE 6 HA ILE 6 -0.080 -10.601 -1.209 1477 HB ILE 6 HB ILE 6 -1.331 -9.012 -2.762 1478 1HG1 ILE 6 2HG1 ILE 6 -2.876 -7.440 -1.546 1479 2HG1 ILE 6 1HG1 ILE 6 -1.897 -7.693 -0.105 1480 1HG2 ILE 6 1HG2 ILE 6 -3.003 -9.928 -0.447 1481 2HG2 ILE 6 2HG2 ILE 6 -2.222 -11.075 -1.536 1482 3HG2 ILE 6 3HG2 ILE 6 -3.399 -9.921 -2.166 1483 1HD1 ILE 6 1HD1 ILE 6 -1.528 -5.699 -1.879 1484 2HD1 ILE 6 2HD1 ILE 6 -0.398 -6.903 -2.498 1485 3HD1 ILE 6 3HD1 ILE 6 -0.266 -6.343 -0.831 1486 H GLN 7 H GLN 7 0.994 -10.230 -3.172 1487 HA GLN 7 HA GLN 7 2.614 -7.803 -3.353 1488 1HB GLN 7 2HB GLN 7 4.622 -9.120 -3.905 1489 2HB GLN 7 1HB GLN 7 4.061 -9.435 -2.269 1490 1HG GLN 7 2HG GLN 7 3.056 -11.519 -2.983 1491 2HG GLN 7 1HG GLN 7 3.525 -11.196 -4.651 1492 1HE2 GLN 7 1HE2 GLN 7 5.212 -12.312 -5.272 1493 2HE2 GLN 7 2HE2 GLN 7 6.551 -12.782 -4.288 1494 H VAL 8 H VAL 8 2.287 -6.928 -5.261 1495 HA VAL 8 HA VAL 8 1.323 -8.575 -7.467 1496 HB VAL 8 HB VAL 8 1.604 -5.568 -7.338 1497 1HG1 VAL 8 1HG1 VAL 8 0.023 -5.610 -9.235 1498 2HG1 VAL 8 2HG1 VAL 8 0.146 -7.369 -9.267 1499 3HG1 VAL 8 3HG1 VAL 8 1.565 -6.379 -9.611 1500 1HG2 VAL 8 1HG2 VAL 8 0.013 -5.995 -5.715 1501 2HG2 VAL 8 2HG2 VAL 8 -0.616 -7.411 -6.557 1502 3HG2 VAL 8 3HG2 VAL 8 -0.975 -5.794 -7.162 1503 H ASP 9 H ASP 9 2.410 -8.893 -9.343 1504 HA ASP 9 HA ASP 9 4.824 -7.439 -9.966 1505 1HB ASP 9 1HB ASP 9 6.252 -9.463 -10.086 1506 2HB ASP 9 2HB ASP 9 4.952 -10.405 -9.366 1507 H ARG 10 H ARG 10 2.440 -7.536 -11.316 1508 HA ARG 10 HA ARG 10 2.230 -9.541 -13.272 1509 1HB ARG 10 2HB ARG 10 1.334 -6.658 -13.422 1510 2HB ARG 10 1HB ARG 10 0.797 -7.949 -14.487 1511 1HG ARG 10 2HG ARG 10 -0.169 -9.115 -12.545 1512 2HG ARG 10 1HG ARG 10 0.314 -7.762 -11.521 1513 1HD ARG 10 2HD ARG 10 -2.022 -7.557 -12.136 1514 2HD ARG 10 1HD ARG 10 -1.082 -6.260 -12.871 1515 HE ARG 10 HE ARG 10 -1.252 -8.372 -14.697 1516 1HH1 ARG 10 1HH1 ARG 10 -3.313 -5.992 -13.193 1517 2HH1 ARG 10 2HH1 ARG 10 -4.434 -5.947 -14.512 1518 1HH2 ARG 10 1HH2 ARG 10 -2.726 -8.315 -16.433 1519 2HH2 ARG 10 2HH2 ARG 10 -4.101 -7.266 -16.352 1520 H ASP 11 H ASP 11 3.267 -9.914 -15.125 1521 HA ASP 11 HA ASP 11 5.487 -8.187 -15.842 1522 1HB ASP 11 2HB ASP 11 4.603 -10.847 -16.983 1523 2HB ASP 11 1HB ASP 11 6.083 -9.996 -17.418 1524 H LEU 12 H LEU 12 3.142 -6.856 -16.293 1525 HA LEU 12 HA LEU 12 2.259 -7.172 -19.006 1526 1HB LEU 12 2HB LEU 12 1.776 -4.947 -17.024 1527 2HB LEU 12 1HB LEU 12 0.973 -5.103 -18.575 1528 HG LEU 12 HG LEU 12 0.732 -6.999 -16.239 1529 1HD1 LEU 12 1HD1 LEU 12 -0.774 -5.480 -15.586 1530 2HD1 LEU 12 2HD1 LEU 12 -1.770 -6.122 -16.892 1531 3HD1 LEU 12 3HD1 LEU 12 -0.791 -4.681 -17.158 1532 1HD2 LEU 12 1HD2 LEU 12 -1.210 -7.758 -17.919 1533 2HD2 LEU 12 2HD2 LEU 12 0.394 -8.489 -17.907 1534 3HD2 LEU 12 3HD2 LEU 12 0.002 -7.244 -19.091 1535 H ASP 13 H ASP 13 4.837 -7.006 -19.374 1536 HA ASP 13 HA ASP 13 5.188 -4.674 -20.953 1537 1HB ASP 13 2HB ASP 13 5.660 -3.664 -18.763 1538 2HB ASP 13 1HB ASP 13 6.891 -4.888 -18.458 1539 H GLY 14 H GLY 14 6.701 -5.012 -22.509 1540 1HA GLY 14 2HA GLY 14 7.626 -7.578 -23.041 1541 2HA GLY 14 1HA GLY 14 8.261 -6.116 -23.779 1542 H LYS 15 H LYS 15 9.413 -8.724 -22.600 1543 HA LYS 15 HA LYS 15 11.364 -9.366 -21.627 1544 1HB LYS 15 2HB LYS 15 12.024 -6.417 -21.776 1545 2HB LYS 15 1HB LYS 15 13.174 -7.702 -21.436 1546 1HG LYS 15 2HG LYS 15 11.618 -7.356 -23.990 1547 2HG LYS 15 1HG LYS 15 13.324 -6.972 -23.748 1548 1HD LYS 15 2HD LYS 15 13.780 -9.327 -23.255 1549 2HD LYS 15 1HD LYS 15 12.074 -9.709 -23.497 1550 1HE LYS 15 2HE LYS 15 13.387 -10.260 -25.477 1551 2HE LYS 15 1HE LYS 15 12.232 -8.972 -25.819 1552 1HZ LYS 15 1HZ LYS 15 14.016 -7.360 -25.595 1553 2HZ LYS 15 2HZ LYS 15 14.396 -8.503 -26.781 1554 3HZ LYS 15 3HZ LYS 15 15.125 -8.594 -25.258 1555 H SER 16 H SER 16 11.935 -9.871 -19.588 1556 HA SER 16 HA SER 16 10.399 -9.002 -17.420 1557 1HB SER 16 2HB SER 16 11.536 -11.171 -17.437 1558 2HB SER 16 1HB SER 16 13.104 -10.363 -17.399 1559 HG SER 16 HG SER 16 11.105 -10.129 -15.396 1560 H HIS 17 H HIS 17 10.661 -7.469 -15.879 1561 HA HIS 17 HA HIS 17 13.066 -6.176 -15.232 1562 1HB HIS 17 2HB HIS 17 12.895 -5.204 -17.468 1563 2HB HIS 17 1HB HIS 17 11.270 -4.629 -17.114 1564 HD1 HIS 17 1HD HIS 17 14.676 -4.215 -15.442 1565 HD2 HIS 17 2HD HIS 17 11.334 -2.003 -16.538 1566 HE1 HIS 17 1HE HIS 17 15.174 -1.852 -14.742 1567 HE2 HIS 17 2HE HIS 17 13.180 -0.516 -15.508 1568 H LYS 18 H LYS 18 9.571 -5.650 -15.587 1569 HA LYS 18 HA LYS 18 9.277 -3.908 -13.398 1570 1HB LYS 18 2HB LYS 18 7.265 -5.817 -14.602 1571 2HB LYS 18 1HB LYS 18 6.881 -4.494 -13.509 1572 1HG LYS 18 2HG LYS 18 7.711 -2.890 -15.151 1573 2HG LYS 18 1HG LYS 18 8.103 -4.216 -16.247 1574 1HD LYS 18 2HD LYS 18 5.978 -3.182 -16.853 1575 2HD LYS 18 1HD LYS 18 5.739 -4.849 -16.325 1576 1HE LYS 18 2HE LYS 18 4.039 -3.369 -15.389 1577 2HE LYS 18 1HE LYS 18 5.048 -4.062 -14.124 1578 1HZ LYS 18 1HZ LYS 18 5.543 -1.378 -15.273 1579 2HZ LYS 18 2HZ LYS 18 6.193 -2.037 -13.859 1580 3HZ LYS 18 3HZ LYS 18 4.555 -1.624 -13.921 1581 1H MET 1 1HT MET 1 -2.314 12.557 14.082 1582 2H MET 1 2HT MET 1 -3.436 13.793 13.684 1583 3H MET 1 3HT MET 1 -1.987 13.622 12.781 1584 HA MET 1 HA MET 1 -2.852 11.276 12.335 1585 1HB MET 1 2HB MET 1 -5.366 12.831 12.988 1586 2HB MET 1 1HB MET 1 -5.323 11.239 12.243 1587 1HG MET 1 2HG MET 1 -4.277 10.322 14.245 1588 2HG MET 1 1HG MET 1 -4.306 11.918 14.993 1589 1HE MET 1 1HE MET 1 -8.112 9.545 13.903 1590 2HE MET 1 2HE MET 1 -6.474 8.970 13.583 1591 3HE MET 1 3HE MET 1 -7.108 10.361 12.704 1592 H LYS 2 H LYS 2 -2.974 11.048 10.167 1593 HA LYS 2 HA LYS 2 -4.255 12.846 8.415 1594 1HB LYS 2 2HB LYS 2 -2.334 13.868 7.324 1595 2HB LYS 2 1HB LYS 2 -2.373 14.312 9.026 1596 1HG LYS 2 2HG LYS 2 -0.653 12.672 9.514 1597 2HG LYS 2 1HG LYS 2 -0.641 12.161 7.825 1598 1HD LYS 2 2HD LYS 2 0.037 14.446 7.175 1599 2HD LYS 2 1HD LYS 2 0.103 14.887 8.883 1600 1HE LYS 2 2HE LYS 2 1.746 12.740 7.549 1601 2HE LYS 2 1HE LYS 2 2.322 14.346 7.995 1602 1HZ LYS 2 1HZ LYS 2 2.916 12.615 9.619 1603 2HZ LYS 2 2HZ LYS 2 1.274 12.341 9.918 1604 3HZ LYS 2 3HZ LYS 2 1.963 13.838 10.298 1605 H ASP 3 H ASP 3 -4.487 11.979 6.419 1606 HA ASP 3 HA ASP 3 -3.714 9.256 6.088 1607 1HB ASP 3 2HB ASP 3 -4.921 9.401 3.943 1608 2HB ASP 3 1HB ASP 3 -5.876 10.032 5.282 1609 H THR 4 H THR 4 -1.873 8.502 5.247 1610 HA THR 4 HA THR 4 0.024 10.260 4.026 1611 HB THR 4 HB THR 4 0.719 8.358 5.433 1612 HG1 THR 4 1HG THR 4 2.159 9.102 3.836 1613 1HG2 THR 4 1HG2 THR 4 -1.105 6.811 4.474 1614 2HG2 THR 4 2HG2 THR 4 0.472 6.132 4.882 1615 3HG2 THR 4 3HG2 THR 4 0.072 6.486 3.202 1616 H GLY 5 H GLY 5 0.773 10.211 1.888 1617 1HA GLY 5 2HA GLY 5 -0.690 8.579 -0.040 1618 2HA GLY 5 1HA GLY 5 -0.852 10.322 -0.197 1619 H ILE 6 H ILE 6 0.651 7.846 -1.544 1620 HA ILE 6 HA ILE 6 2.741 9.505 -2.620 1621 HB ILE 6 HB ILE 6 4.541 7.802 -2.112 1622 1HG1 ILE 6 2HG1 ILE 6 4.140 6.592 0.106 1623 2HG1 ILE 6 1HG1 ILE 6 2.427 6.895 -0.165 1624 1HG2 ILE 6 1HG2 ILE 6 4.239 10.063 -1.025 1625 2HG2 ILE 6 2HG2 ILE 6 5.182 8.883 -0.116 1626 3HG2 ILE 6 3HG2 ILE 6 3.508 9.209 0.334 1627 1HD1 ILE 6 1HD1 ILE 6 3.820 4.704 -1.004 1628 2HD1 ILE 6 2HD1 ILE 6 3.759 5.700 -2.459 1629 3HD1 ILE 6 3HD1 ILE 6 2.266 5.241 -1.641 1630 H GLN 7 H GLN 7 3.344 8.914 -4.624 1631 HA GLN 7 HA GLN 7 2.170 6.431 -5.689 1632 1HB GLN 7 2HB GLN 7 1.225 8.505 -6.640 1633 2HB GLN 7 1HB GLN 7 2.834 8.994 -7.152 1634 1HG GLN 7 2HG GLN 7 2.943 6.980 -8.581 1635 2HG GLN 7 1HG GLN 7 1.280 6.611 -8.129 1636 1HE2 GLN 7 1HE2 GLN 7 -0.112 7.158 -9.628 1637 2HE2 GLN 7 2HE2 GLN 7 -0.001 8.524 -10.681 1638 H VAL 8 H VAL 8 3.949 5.119 -5.236 1639 HA VAL 8 HA VAL 8 6.615 5.802 -5.932 1640 HB VAL 8 HB VAL 8 5.456 3.047 -5.490 1641 1HG1 VAL 8 1HG1 VAL 8 8.223 4.106 -5.781 1642 2HG1 VAL 8 2HG1 VAL 8 7.523 2.599 -6.368 1643 3HG1 VAL 8 3HG1 VAL 8 7.939 2.771 -4.664 1644 1HG2 VAL 8 1HG2 VAL 8 6.709 3.584 -3.195 1645 2HG2 VAL 8 2HG2 VAL 8 5.006 3.954 -3.462 1646 3HG2 VAL 8 3HG2 VAL 8 6.221 5.220 -3.633 1647 H ASP 9 H ASP 9 7.814 5.371 -7.709 1648 HA ASP 9 HA ASP 9 6.843 3.647 -9.815 1649 1HB ASP 9 2HB ASP 9 7.240 6.603 -10.340 1650 2HB ASP 9 1HB ASP 9 6.933 5.379 -11.567 1651 H ARG 10 H ARG 10 8.542 2.604 -10.628 1652 HA ARG 10 HA ARG 10 11.204 3.415 -9.926 1653 1HB ARG 10 2HB ARG 10 10.525 1.040 -9.976 1654 2HB ARG 10 1HB ARG 10 10.289 1.157 -11.715 1655 1HG ARG 10 2HG ARG 10 12.642 1.585 -12.044 1656 2HG ARG 10 1HG ARG 10 12.911 1.602 -10.302 1657 1HD ARG 10 2HD ARG 10 12.168 -0.740 -10.186 1658 2HD ARG 10 1HD ARG 10 11.961 -0.750 -11.935 1659 HE ARG 10 HE ARG 10 14.380 -1.126 -10.519 1660 1HH1 ARG 10 1HH1 ARG 10 13.102 0.345 -13.416 1661 2HH1 ARG 10 2HH1 ARG 10 14.609 0.271 -14.264 1662 1HH2 ARG 10 1HH2 ARG 10 16.358 -1.225 -11.636 1663 2HH2 ARG 10 2HH2 ARG 10 16.457 -0.619 -13.255 1664 H ASP 11 H ASP 11 12.702 4.400 -11.157 1665 HA ASP 11 HA ASP 11 12.782 4.436 -13.955 1666 1HB ASP 11 2HB ASP 11 12.105 6.785 -14.381 1667 2HB ASP 11 1HB ASP 11 10.763 5.782 -13.840 1668 H LEU 12 H LEU 12 14.661 4.027 -12.023 1669 HA LEU 12 HA LEU 12 16.194 6.385 -11.488 1670 1HB LEU 12 2HB LEU 12 16.847 3.451 -11.229 1671 2HB LEU 12 1HB LEU 12 17.936 4.734 -10.742 1672 HG LEU 12 HG LEU 12 16.281 5.511 -9.091 1673 1HD1 LEU 12 1HD1 LEU 12 14.409 3.860 -8.571 1674 2HD1 LEU 12 2HD1 LEU 12 14.680 3.225 -10.194 1675 3HD1 LEU 12 3HD1 LEU 12 14.199 4.908 -9.973 1676 1HD2 LEU 12 1HD2 LEU 12 16.305 3.243 -7.746 1677 2HD2 LEU 12 2HD2 LEU 12 17.786 4.156 -8.039 1678 3HD2 LEU 12 3HD2 LEU 12 17.398 2.757 -9.041 1679 H ASP 13 H ASP 13 15.836 6.614 -14.091 1680 HA ASP 13 HA ASP 13 18.413 6.750 -15.172 1681 1HB ASP 13 2HB ASP 13 18.209 4.300 -15.345 1682 2HB ASP 13 1HB ASP 13 16.737 4.492 -16.294 1683 H GLY 14 H GLY 14 18.418 8.208 -16.796 1684 1HA GLY 14 2HA GLY 14 16.099 9.641 -17.444 1685 2HA GLY 14 1HA GLY 14 17.623 9.737 -18.313 1686 H LYS 15 H LYS 15 17.862 7.212 -19.343 1687 HA LYS 15 HA LYS 15 15.578 6.125 -20.533 1688 1HB LYS 15 2HB LYS 15 15.775 6.974 -22.830 1689 2HB LYS 15 1HB LYS 15 15.392 8.263 -21.698 1690 1HG LYS 15 2HG LYS 15 17.728 8.969 -21.703 1691 2HG LYS 15 1HG LYS 15 18.118 7.669 -22.830 1692 1HD LYS 15 2HD LYS 15 16.597 8.647 -24.481 1693 2HD LYS 15 1HD LYS 15 16.207 9.946 -23.354 1694 1HE LYS 15 2HE LYS 15 18.933 9.358 -24.507 1695 2HE LYS 15 1HE LYS 15 17.857 10.662 -25.010 1696 1HZ LYS 15 1HZ LYS 15 19.035 10.356 -22.301 1697 2HZ LYS 15 2HZ LYS 15 18.029 11.620 -22.805 1698 3HZ LYS 15 3HZ LYS 15 19.567 11.441 -23.486 1699 H SER 16 H SER 16 16.099 4.178 -21.313 1700 HA SER 16 HA SER 16 18.354 3.532 -22.829 1701 1HB SER 16 2HB SER 16 19.640 3.992 -20.795 1702 2HB SER 16 1HB SER 16 18.638 2.860 -19.888 1703 HG SER 16 HG SER 16 20.109 2.087 -22.177 1704 H HIS 17 H HIS 17 16.137 2.361 -20.336 1705 HA HIS 17 HA HIS 17 14.869 0.512 -22.009 1706 1HB HIS 17 2HB HIS 17 15.696 -1.614 -21.119 1707 2HB HIS 17 1HB HIS 17 16.991 -0.716 -21.900 1708 HD1 HIS 17 1HD HIS 17 15.654 -1.136 -18.354 1709 HD2 HIS 17 2HD HIS 17 19.236 -0.667 -20.407 1710 HE1 HIS 17 1HE HIS 17 17.454 -1.268 -16.603 1711 HE2 HIS 17 2HE HIS 17 19.607 -0.897 -17.857 1712 H LYS 18 H LYS 18 15.809 1.363 -18.725 1713 HA LYS 18 HA LYS 18 13.827 0.030 -17.300 1714 1HB LYS 18 2HB LYS 18 15.007 2.749 -16.695 1715 2HB LYS 18 1HB LYS 18 14.175 1.708 -15.548 1716 1HG LYS 18 2HG LYS 18 15.935 0.013 -15.840 1717 2HG LYS 18 1HG LYS 18 16.781 1.113 -16.933 1718 1HD LYS 18 2HD LYS 18 16.948 2.762 -15.115 1719 2HD LYS 18 1HD LYS 18 16.145 1.626 -14.028 1720 1HE LYS 18 2HE LYS 18 18.557 1.569 -13.710 1721 2HE LYS 18 1HE LYS 18 17.971 0.031 -14.346 1722 1HZ LYS 18 1HZ LYS 18 18.810 1.972 -16.332 1723 2HZ LYS 18 2HZ LYS 18 19.082 0.304 -16.263 1724 3HZ LYS 18 3HZ LYS 18 20.046 1.355 -15.356 Start of MODEL 5 1 1H MET 1 1HT MET 1 -18.139 -6.319 -25.297 2 2H MET 1 2HT MET 1 -16.789 -7.274 -25.759 3 3H MET 1 3HT MET 1 -16.979 -5.688 -26.389 4 HA MET 1 HA MET 1 -16.271 -6.530 -23.674 5 1HB MET 1 2HB MET 1 -15.058 -4.638 -25.700 6 2HB MET 1 1HB MET 1 -14.399 -4.968 -24.105 7 1HG MET 1 2HG MET 1 -14.724 -6.965 -26.334 8 2HG MET 1 1HG MET 1 -13.216 -6.204 -25.829 9 1HE MET 1 1HE MET 1 -12.215 -7.613 -22.645 10 2HE MET 1 2HE MET 1 -13.681 -6.736 -22.205 11 3HE MET 1 3HE MET 1 -12.598 -6.084 -23.435 12 H CYS 2 H CYS 2 -16.730 -5.243 -21.979 13 HA CYS 2 HA CYS 2 -17.229 -2.491 -22.068 14 1HB CYS 2 2HB CYS 2 -19.270 -3.115 -23.276 15 2HB CYS 2 1HB CYS 2 -19.731 -4.190 -21.963 16 HG CYS 2 HG CYS 2 -20.066 -2.057 -20.460 17 H ASP 3 H ASP 3 -18.157 -5.511 -20.463 18 HA ASP 3 HA ASP 3 -18.550 -4.461 -17.894 19 1HB ASP 3 2HB ASP 3 -19.281 -6.714 -18.553 20 2HB ASP 3 1HB ASP 3 -17.601 -7.226 -18.683 21 H ARG 4 H ARG 4 -17.219 -3.983 -16.236 22 HA ARG 4 HA ARG 4 -14.496 -3.440 -16.740 23 1HB ARG 4 2HB ARG 4 -16.080 -3.560 -14.174 24 2HB ARG 4 1HB ARG 4 -14.388 -3.093 -14.226 25 1HG ARG 4 2HG ARG 4 -15.787 -1.134 -14.150 26 2HG ARG 4 1HG ARG 4 -14.963 -1.221 -15.706 27 1HD ARG 4 2HD ARG 4 -16.969 -2.074 -16.759 28 2HD ARG 4 1HD ARG 4 -17.799 -2.117 -15.204 29 HE ARG 4 HE ARG 4 -16.904 0.496 -15.665 30 1HH1 ARG 4 1HH1 ARG 4 -19.220 -1.778 -16.946 31 2HH1 ARG 4 2HH1 ARG 4 -20.311 -0.549 -17.494 32 1HH2 ARG 4 1HH2 ARG 4 -18.337 2.113 -16.385 33 2HH2 ARG 4 2HH2 ARG 4 -19.810 1.659 -17.176 34 H LYS 5 H LYS 5 -12.623 -4.478 -16.084 35 HA LYS 5 HA LYS 5 -12.923 -7.327 -15.591 36 1HB LYS 5 2HB LYS 5 -10.423 -7.355 -15.926 37 2HB LYS 5 1HB LYS 5 -11.384 -6.875 -17.314 38 1HG LYS 5 2HG LYS 5 -10.365 -4.728 -15.543 39 2HG LYS 5 1HG LYS 5 -9.204 -5.568 -16.573 40 1HD LYS 5 2HD LYS 5 -10.562 -5.039 -18.538 41 2HD LYS 5 1HD LYS 5 -11.730 -4.204 -17.515 42 1HE LYS 5 2HE LYS 5 -10.231 -2.617 -18.590 43 2HE LYS 5 1HE LYS 5 -10.003 -2.610 -16.842 44 1HZ LYS 5 1HZ LYS 5 -7.911 -2.592 -18.153 45 2HZ LYS 5 2HZ LYS 5 -8.290 -4.139 -18.723 46 3HZ LYS 5 3HZ LYS 5 -8.024 -3.888 -17.072 47 H ALA 6 H ALA 6 -13.535 -5.472 -13.486 48 HA ALA 6 HA ALA 6 -11.453 -5.394 -11.561 49 1HB ALA 6 1HB ALA 6 -13.620 -3.976 -11.726 50 2HB ALA 6 2HB ALA 6 -12.984 -4.405 -10.138 51 3HB ALA 6 3HB ALA 6 -14.344 -5.301 -10.815 52 H VAL 7 H VAL 7 -10.955 -7.813 -12.029 53 HA VAL 7 HA VAL 7 -12.721 -9.721 -10.854 54 HB VAL 7 HB VAL 7 -10.945 -11.337 -11.210 55 1HG1 VAL 7 1HG1 VAL 7 -11.959 -9.568 -13.333 56 2HG1 VAL 7 2HG1 VAL 7 -12.127 -11.312 -13.133 57 3HG1 VAL 7 3HG1 VAL 7 -10.634 -10.640 -13.786 58 1HG2 VAL 7 1HG2 VAL 7 -8.835 -10.739 -12.207 59 2HG2 VAL 7 2HG2 VAL 7 -9.046 -9.843 -10.703 60 3HG2 VAL 7 3HG2 VAL 7 -9.305 -9.040 -12.251 61 H ILE 8 H ILE 8 -12.720 -10.634 -8.923 62 HA ILE 8 HA ILE 8 -11.263 -9.352 -6.800 63 HB ILE 8 HB ILE 8 -13.236 -11.634 -6.728 64 1HG1 ILE 8 2HG1 ILE 8 -14.721 -9.904 -5.708 65 2HG1 ILE 8 1HG1 ILE 8 -13.486 -8.699 -6.046 66 1HG2 ILE 8 1HG2 ILE 8 -12.004 -10.107 -4.441 67 2HG2 ILE 8 2HG2 ILE 8 -11.719 -11.801 -4.840 68 3HG2 ILE 8 3HG2 ILE 8 -13.316 -11.278 -4.305 69 1HD1 ILE 8 1HD1 ILE 8 -15.465 -8.949 -7.661 70 2HD1 ILE 8 2HD1 ILE 8 -14.614 -10.378 -8.242 71 3HD1 ILE 8 3HD1 ILE 8 -13.841 -8.795 -8.328 72 H LYS 9 H LYS 9 -9.901 -10.376 -5.289 73 HA LYS 9 HA LYS 9 -8.753 -12.944 -6.114 74 1HB LYS 9 2HB LYS 9 -7.161 -10.460 -5.454 75 2HB LYS 9 1HB LYS 9 -6.477 -12.062 -5.699 76 1HG LYS 9 2HG LYS 9 -7.986 -10.472 -7.762 77 2HG LYS 9 1HG LYS 9 -6.233 -10.649 -7.675 78 1HD LYS 9 2HD LYS 9 -6.460 -13.064 -7.989 79 2HD LYS 9 1HD LYS 9 -8.214 -12.891 -8.068 80 1HE LYS 9 2HE LYS 9 -7.975 -11.474 -10.054 81 2HE LYS 9 1HE LYS 9 -6.224 -11.663 -9.975 82 1HZ LYS 9 1HZ LYS 9 -7.500 -13.161 -11.560 83 2HZ LYS 9 2HZ LYS 9 -8.017 -14.002 -10.187 84 3HZ LYS 9 3HZ LYS 9 -6.368 -13.903 -10.544 85 H ASN 10 H ASN 10 -8.995 -10.468 -3.579 86 HA ASN 10 HA ASN 10 -8.906 -12.616 -1.591 87 1HB ASN 10 2HB ASN 10 -6.657 -11.466 -1.848 88 2HB ASN 10 1HB ASN 10 -7.426 -10.013 -1.220 89 1HD2 ASN 10 1HD2 ASN 10 -5.699 -12.686 -0.447 90 2HD2 ASN 10 2HD2 ASN 10 -6.021 -12.767 1.249 91 H ALA 11 H ALA 11 -11.255 -11.532 -2.419 92 HA ALA 11 HA ALA 11 -12.108 -9.244 -0.991 93 1HB ALA 11 1HB ALA 11 -13.444 -9.816 -2.815 94 2HB ALA 11 2HB ALA 11 -14.427 -10.264 -1.422 95 3HB ALA 11 3HB ALA 11 -13.557 -11.507 -2.322 96 H ASP 12 H ASP 12 -13.031 -8.994 0.999 97 HA ASP 12 HA ASP 12 -13.836 -11.258 2.589 98 1HB ASP 12 2HB ASP 12 -11.412 -9.642 3.406 99 2HB ASP 12 1HB ASP 12 -12.243 -10.800 4.438 100 H MET 13 H MET 13 -15.581 -9.467 1.945 101 HA MET 13 HA MET 13 -16.308 -8.229 4.404 102 1HB MET 13 2HB MET 13 -16.314 -5.897 3.649 103 2HB MET 13 1HB MET 13 -14.687 -6.559 3.666 104 1HG MET 13 2HG MET 13 -14.865 -6.938 1.227 105 2HG MET 13 1HG MET 13 -16.436 -6.139 1.256 106 1HE MET 13 1HE MET 13 -15.823 -2.578 2.037 107 2HE MET 13 2HE MET 13 -15.371 -3.435 3.509 108 3HE MET 13 3HE MET 13 -16.734 -4.000 2.543 109 H SER 14 H SER 14 -18.184 -6.448 3.695 110 HA SER 14 HA SER 14 -20.310 -8.038 2.803 111 1HB SER 14 2HB SER 14 -20.591 -6.051 4.245 112 2HB SER 14 1HB SER 14 -20.153 -5.017 2.887 113 HG SER 14 HG SER 14 -22.374 -6.781 2.982 114 H GLU 15 H GLU 15 -21.234 -8.376 0.859 115 HA GLU 15 HA GLU 15 -19.803 -8.066 -1.489 116 1HB GLU 15 2HB GLU 15 -22.787 -8.383 -1.163 117 2HB GLU 15 1HB GLU 15 -21.897 -8.651 -2.655 118 1HG GLU 15 2HG GLU 15 -20.657 -10.466 -1.590 119 2HG GLU 15 1HG GLU 15 -21.551 -10.196 -0.095 120 H GLU 16 H GLU 16 -22.450 -6.058 -0.255 121 HA GLU 16 HA GLU 16 -22.680 -4.351 -2.452 122 1HB GLU 16 2HB GLU 16 -23.739 -2.763 -0.910 123 2HB GLU 16 1HB GLU 16 -24.334 -4.397 -0.659 124 1HG GLU 16 2HG GLU 16 -22.873 -4.636 1.277 125 2HG GLU 16 1HG GLU 16 -22.269 -2.999 1.025 126 H MET 17 H MET 17 -20.615 -4.094 0.421 127 HA MET 17 HA MET 17 -19.520 -1.581 -0.142 128 1HB MET 17 2HB MET 17 -18.291 -3.923 1.316 129 2HB MET 17 1HB MET 17 -17.649 -2.286 1.332 130 1HG MET 17 2HG MET 17 -19.694 -1.486 2.390 131 2HG MET 17 1HG MET 17 -20.353 -3.122 2.361 132 1HE MET 17 1HE MET 17 -19.599 -1.535 5.750 133 2HE MET 17 2HE MET 17 -20.218 -3.186 5.798 134 3HE MET 17 3HE MET 17 -20.823 -2.053 4.589 135 H GLN 18 H GLN 18 -18.432 -4.824 -1.042 136 HA GLN 18 HA GLN 18 -16.052 -4.118 -2.316 137 1HB GLN 18 2HB GLN 18 -17.937 -6.367 -3.042 138 2HB GLN 18 1HB GLN 18 -16.237 -6.260 -3.484 139 1HG GLN 18 2HG GLN 18 -15.573 -6.453 -1.186 140 2HG GLN 18 1HG GLN 18 -17.253 -6.386 -0.660 141 1HE2 GLN 18 1HE2 GLN 18 -18.050 -8.263 -0.117 142 2HE2 GLN 18 2HE2 GLN 18 -17.627 -9.791 -0.793 143 H GLN 19 H GLN 19 -19.344 -4.321 -3.556 144 HA GLN 19 HA GLN 19 -18.797 -3.859 -6.259 145 1HB GLN 19 2HB GLN 19 -20.986 -4.613 -5.318 146 2HB GLN 19 1HB GLN 19 -21.253 -2.976 -4.737 147 1HG GLN 19 2HG GLN 19 -22.463 -3.305 -6.778 148 2HG GLN 19 1HG GLN 19 -21.149 -2.164 -7.061 149 1HE2 GLN 19 1HE2 GLN 19 -20.218 -2.458 -8.944 150 2HE2 GLN 19 2HE2 GLN 19 -19.954 -3.973 -9.733 151 H ASP 20 H ASP 20 -19.509 -1.586 -3.646 152 HA ASP 20 HA ASP 20 -19.512 0.765 -5.169 153 1HB ASP 20 2HB ASP 20 -18.711 0.386 -2.276 154 2HB ASP 20 1HB ASP 20 -19.084 1.932 -3.033 155 H SER 21 H SER 21 -16.854 -0.972 -3.632 156 HA SER 21 HA SER 21 -14.895 0.999 -4.147 157 1HB SER 21 2HB SER 21 -14.548 -1.996 -3.828 158 2HB SER 21 1HB SER 21 -13.253 -0.801 -3.743 159 HG SER 21 HG SER 21 -14.713 -1.644 -1.767 160 H VAL 22 H VAL 22 -15.994 -1.825 -5.956 161 HA VAL 22 HA VAL 22 -14.128 -1.636 -8.058 162 HB VAL 22 HB VAL 22 -16.931 -2.763 -8.138 163 1HG1 VAL 22 1HG1 VAL 22 -15.771 -4.210 -9.963 164 2HG1 VAL 22 2HG1 VAL 22 -14.643 -2.856 -10.058 165 3HG1 VAL 22 3HG1 VAL 22 -16.360 -2.597 -10.369 166 1HG2 VAL 22 1HG2 VAL 22 -16.076 -4.222 -6.665 167 2HG2 VAL 22 2HG2 VAL 22 -14.414 -3.741 -7.005 168 3HG2 VAL 22 3HG2 VAL 22 -15.232 -4.892 -8.061 169 H GLU 23 H GLU 23 -17.413 -0.370 -7.704 170 HA GLU 23 HA GLU 23 -17.527 0.875 -10.238 171 1HB GLU 23 2HB GLU 23 -19.027 1.532 -7.697 172 2HB GLU 23 1HB GLU 23 -19.424 2.155 -9.293 173 1HG GLU 23 2HG GLU 23 -19.879 -0.113 -10.068 174 2HG GLU 23 1HG GLU 23 -19.471 -0.739 -8.472 175 H CYS 24 H CYS 24 -16.725 2.083 -7.010 176 HA CYS 24 HA CYS 24 -16.234 4.749 -7.810 177 1HB CYS 24 2HB CYS 24 -15.246 3.189 -5.418 178 2HB CYS 24 1HB CYS 24 -14.989 4.917 -5.635 179 HG CYS 24 HG CYS 24 -17.840 3.706 -5.321 180 H ALA 25 H ALA 25 -14.228 1.877 -7.807 181 HA ALA 25 HA ALA 25 -11.752 3.245 -8.160 182 1HB ALA 25 1HB ALA 25 -11.322 1.140 -7.409 183 2HB ALA 25 2HB ALA 25 -11.191 0.830 -9.140 184 3HB ALA 25 3HB ALA 25 -12.678 0.430 -8.284 185 H THR 26 H THR 26 -14.142 1.770 -10.287 186 HA THR 26 HA THR 26 -12.733 2.069 -12.683 187 HB THR 26 HB THR 26 -15.719 2.045 -12.225 188 HG1 THR 26 1HG THR 26 -15.465 0.000 -11.937 189 1HG2 THR 26 1HG2 THR 26 -14.190 2.287 -14.665 190 2HG2 THR 26 2HG2 THR 26 -15.928 2.431 -14.396 191 3HG2 THR 26 3HG2 THR 26 -15.204 0.843 -14.654 192 H GLN 27 H GLN 27 -15.099 4.156 -11.093 193 HA GLN 27 HA GLN 27 -15.142 6.190 -13.029 194 1HB GLN 27 2HB GLN 27 -15.601 6.364 -10.044 195 2HB GLN 27 1HB GLN 27 -16.000 7.630 -11.196 196 1HG GLN 27 2HG GLN 27 -17.583 6.138 -12.299 197 2HG GLN 27 1HG GLN 27 -17.181 4.861 -11.152 198 1HE2 GLN 27 1HE2 GLN 27 -18.629 4.626 -9.623 199 2HE2 GLN 27 2HE2 GLN 27 -19.592 5.876 -8.919 200 H ALA 28 H ALA 28 -13.041 5.538 -10.310 201 HA ALA 28 HA ALA 28 -11.653 7.950 -10.168 202 1HB ALA 28 1HB ALA 28 -9.984 5.608 -9.709 203 2HB ALA 28 2HB ALA 28 -11.536 5.526 -8.881 204 3HB ALA 28 3HB ALA 28 -10.460 6.894 -8.604 205 H LEU 29 H LEU 29 -10.955 5.045 -12.101 206 HA LEU 29 HA LEU 29 -8.586 6.028 -13.239 207 1HB LEU 29 2HB LEU 29 -10.529 3.921 -14.120 208 2HB LEU 29 1HB LEU 29 -9.088 4.300 -15.047 209 HG LEU 29 HG LEU 29 -8.997 3.495 -12.154 210 1HD1 LEU 29 1HD1 LEU 29 -8.790 1.273 -12.709 211 2HD1 LEU 29 2HD1 LEU 29 -8.281 1.623 -14.361 212 3HD1 LEU 29 3HD1 LEU 29 -9.976 1.798 -13.903 213 1HD2 LEU 29 1HD2 LEU 29 -6.648 2.958 -12.733 214 2HD2 LEU 29 2HD2 LEU 29 -7.038 4.671 -12.890 215 3HD2 LEU 29 3HD2 LEU 29 -6.922 3.658 -14.329 216 H GLU 30 H GLU 30 -11.917 6.071 -14.432 217 HA GLU 30 HA GLU 30 -11.253 7.416 -16.857 218 1HB GLU 30 2HB GLU 30 -13.689 7.728 -17.101 219 2HB GLU 30 1HB GLU 30 -13.262 6.065 -16.722 220 1HG GLU 30 2HG GLU 30 -13.874 6.435 -14.392 221 2HG GLU 30 1HG GLU 30 -14.302 8.103 -14.767 222 H LYS 31 H LYS 31 -12.113 8.459 -13.633 223 HA LYS 31 HA LYS 31 -12.543 11.194 -14.442 224 1HB LYS 31 2HB LYS 31 -12.484 9.846 -11.748 225 2HB LYS 31 1HB LYS 31 -12.718 11.577 -11.949 226 1HG LYS 31 2HG LYS 31 -14.735 11.161 -13.254 227 2HG LYS 31 1HG LYS 31 -14.498 9.423 -13.073 228 1HD LYS 31 2HD LYS 31 -14.733 9.630 -10.657 229 2HD LYS 31 1HD LYS 31 -14.918 11.378 -10.812 230 1HE LYS 31 2HE LYS 31 -16.767 9.290 -11.963 231 2HE LYS 31 1HE LYS 31 -17.080 10.268 -10.529 232 1HZ LYS 31 1HZ LYS 31 -17.501 10.916 -13.252 233 2HZ LYS 31 2HZ LYS 31 -16.453 12.045 -12.552 234 3HZ LYS 31 3HZ LYS 31 -17.975 11.768 -11.869 235 H TYR 32 H TYR 32 -9.951 9.295 -13.014 236 HA TYR 32 HA TYR 32 -8.289 11.721 -13.105 237 1HB TYR 32 2HB TYR 32 -8.098 9.470 -11.099 238 2HB TYR 32 1HB TYR 32 -7.007 10.848 -11.190 239 HD1 TYR 32 1HD TYR 32 -10.694 10.226 -11.004 240 HD2 TYR 32 2HD TYR 32 -7.383 12.547 -9.685 241 HE1 TYR 32 1HE TYR 32 -12.184 11.495 -9.518 242 HE2 TYR 32 2HE TYR 32 -8.864 13.822 -8.193 243 HH TYR 32 HH TYR 32 -11.248 14.386 -8.007 244 H ASN 33 H ASN 33 -8.250 8.180 -13.290 245 HA ASN 33 HA ASN 33 -6.967 6.743 -14.503 246 1HB ASN 33 2HB ASN 33 -7.522 8.212 -16.410 247 2HB ASN 33 1HB ASN 33 -6.132 9.223 -16.028 248 1HD2 ASN 33 1HD2 ASN 33 -4.463 8.865 -17.280 249 2HD2 ASN 33 2HD2 ASN 33 -4.019 7.355 -17.989 250 H ILE 34 H ILE 34 -5.971 7.544 -12.091 251 HA ILE 34 HA ILE 34 -3.112 7.229 -12.527 252 HB ILE 34 HB ILE 34 -4.200 9.469 -10.813 253 1HG1 ILE 34 2HG1 ILE 34 -2.618 9.547 -13.392 254 2HG1 ILE 34 1HG1 ILE 34 -4.310 9.993 -13.205 255 1HG2 ILE 34 1HG2 ILE 34 -1.719 10.049 -10.680 256 2HG2 ILE 34 2HG2 ILE 34 -1.426 8.404 -11.245 257 3HG2 ILE 34 3HG2 ILE 34 -2.279 8.677 -9.725 258 1HD1 ILE 34 1HD1 ILE 34 -2.518 11.838 -13.292 259 2HD1 ILE 34 2HD1 ILE 34 -2.201 11.385 -11.616 260 3HD1 ILE 34 3HD1 ILE 34 -3.803 11.949 -12.090 261 H GLU 35 H GLU 35 -2.442 5.657 -11.243 262 HA GLU 35 HA GLU 35 -3.899 4.166 -9.518 263 1HB GLU 35 2HB GLU 35 -0.959 4.755 -9.146 264 2HB GLU 35 1HB GLU 35 -1.819 3.328 -8.590 265 1HG GLU 35 2HG GLU 35 -1.368 4.109 -11.462 266 2HG GLU 35 1HG GLU 35 -0.504 2.856 -10.577 267 H LYS 36 H LYS 36 -1.832 6.889 -8.550 268 HA LYS 36 HA LYS 36 -2.332 6.755 -5.795 269 1HB LYS 36 2HB LYS 36 -0.492 8.040 -6.754 270 2HB LYS 36 1HB LYS 36 -1.634 9.140 -7.513 271 1HG LYS 36 2HG LYS 36 -2.437 9.744 -5.220 272 2HG LYS 36 1HG LYS 36 -1.092 8.798 -4.576 273 1HD LYS 36 2HD LYS 36 -0.468 11.129 -4.671 274 2HD LYS 36 1HD LYS 36 0.471 10.216 -5.851 275 1HE LYS 36 2HE LYS 36 -1.016 10.958 -7.631 276 2HE LYS 36 1HE LYS 36 -2.000 11.833 -6.460 277 1HZ LYS 36 1HZ LYS 36 0.346 12.677 -7.784 278 2HZ LYS 36 2HZ LYS 36 0.607 12.705 -6.113 279 3HZ LYS 36 3HZ LYS 36 -0.684 13.568 -6.781 280 H ASP 37 H ASP 37 -3.754 8.983 -8.183 281 HA ASP 37 HA ASP 37 -5.524 10.321 -6.572 282 1HB ASP 37 2HB ASP 37 -5.931 9.496 -9.450 283 2HB ASP 37 1HB ASP 37 -6.848 10.746 -8.615 284 H ILE 38 H ILE 38 -6.064 7.209 -8.186 285 HA ILE 38 HA ILE 38 -8.748 6.835 -7.772 286 HB ILE 38 HB ILE 38 -6.603 4.731 -7.437 287 1HG1 ILE 38 2HG1 ILE 38 -8.160 5.599 -9.883 288 2HG1 ILE 38 1HG1 ILE 38 -6.453 5.878 -9.594 289 1HG2 ILE 38 1HG2 ILE 38 -9.492 4.344 -8.194 290 2HG2 ILE 38 2HG2 ILE 38 -8.856 4.101 -6.568 291 3HG2 ILE 38 3HG2 ILE 38 -8.284 3.095 -7.899 292 1HD1 ILE 38 1HD1 ILE 38 -6.364 4.067 -10.971 293 2HD1 ILE 38 2HD1 ILE 38 -7.863 3.378 -10.345 294 3HD1 ILE 38 3HD1 ILE 38 -6.379 3.270 -9.399 295 H ALA 39 H ALA 39 -6.166 5.931 -5.507 296 HA ALA 39 HA ALA 39 -7.877 5.075 -3.438 297 1HB ALA 39 1HB ALA 39 -5.592 4.333 -3.533 298 2HB ALA 39 2HB ALA 39 -5.853 5.203 -2.022 299 3HB ALA 39 3HB ALA 39 -5.008 5.988 -3.354 300 H ALA 40 H ALA 40 -6.823 8.236 -4.392 301 HA ALA 40 HA ALA 40 -7.129 9.520 -1.884 302 1HB ALA 40 1HB ALA 40 -6.045 10.264 -4.219 303 2HB ALA 40 2HB ALA 40 -6.509 11.405 -2.955 304 3HB ALA 40 3HB ALA 40 -7.588 11.115 -4.322 305 H HIS 41 H HIS 41 -9.242 9.688 -4.766 306 HA HIS 41 HA HIS 41 -11.326 10.984 -3.356 307 1HB HIS 41 2HB HIS 41 -12.386 11.105 -5.361 308 2HB HIS 41 1HB HIS 41 -10.793 10.668 -5.967 309 HD1 HIS 41 1HD HIS 41 -14.039 8.958 -4.990 310 HD2 HIS 41 2HD HIS 41 -10.787 8.447 -7.521 311 HE1 HIS 41 1HE HIS 41 -14.587 6.939 -6.378 312 HE2 HIS 41 2HE HIS 41 -12.702 6.773 -8.031 313 H ILE 42 H ILE 42 -10.839 7.586 -4.282 314 HA ILE 42 HA ILE 42 -13.312 6.636 -3.379 315 HB ILE 42 HB ILE 42 -10.676 5.178 -3.583 316 1HG1 ILE 42 2HG1 ILE 42 -13.062 5.311 -5.430 317 2HG1 ILE 42 1HG1 ILE 42 -11.506 6.096 -5.695 318 1HG2 ILE 42 1HG2 ILE 42 -13.269 4.327 -2.559 319 2HG2 ILE 42 2HG2 ILE 42 -11.688 3.559 -2.418 320 3HG2 ILE 42 3HG2 ILE 42 -12.665 3.307 -3.865 321 1HD1 ILE 42 1HD1 ILE 42 -12.330 3.403 -6.273 322 2HD1 ILE 42 2HD1 ILE 42 -10.881 3.430 -5.269 323 3HD1 ILE 42 3HD1 ILE 42 -10.903 4.289 -6.807 324 H LYS 43 H LYS 43 -10.213 6.919 -1.634 325 HA LYS 43 HA LYS 43 -11.112 5.648 0.711 326 1HB LYS 43 2HB LYS 43 -9.151 6.458 1.779 327 2HB LYS 43 1HB LYS 43 -8.713 6.112 0.114 328 1HG LYS 43 2HG LYS 43 -7.676 8.119 0.409 329 2HG LYS 43 1HG LYS 43 -9.230 8.658 -0.219 330 1HD LYS 43 2HD LYS 43 -9.984 8.930 2.171 331 2HD LYS 43 1HD LYS 43 -8.319 8.621 2.650 332 1HE LYS 43 2HE LYS 43 -7.585 10.545 1.339 333 2HE LYS 43 1HE LYS 43 -9.248 10.852 0.849 334 1HZ LYS 43 1HZ LYS 43 -7.930 11.388 3.384 335 2HZ LYS 43 2HZ LYS 43 -9.522 10.828 3.487 336 3HZ LYS 43 3HZ LYS 43 -9.175 12.233 2.610 337 H LYS 44 H LYS 44 -11.108 9.089 -0.230 338 HA LYS 44 HA LYS 44 -12.067 10.035 2.251 339 1HB LYS 44 2HB LYS 44 -12.717 12.082 1.008 340 2HB LYS 44 1HB LYS 44 -11.062 11.579 0.703 341 1HG LYS 44 2HG LYS 44 -11.663 10.691 -1.438 342 2HG LYS 44 1HG LYS 44 -13.374 10.976 -1.124 343 1HD LYS 44 2HD LYS 44 -12.375 12.687 -2.600 344 2HD LYS 44 1HD LYS 44 -13.013 13.366 -1.102 345 1HE LYS 44 2HE LYS 44 -10.847 14.341 -1.662 346 2HE LYS 44 1HE LYS 44 -10.763 13.422 -0.160 347 1HZ LYS 44 1HZ LYS 44 -8.878 13.072 -1.740 348 2HZ LYS 44 2HZ LYS 44 -9.963 12.307 -2.787 349 3HZ LYS 44 3HZ LYS 44 -9.666 11.656 -1.255 350 H GLU 45 H GLU 45 -13.802 9.089 -0.705 351 HA GLU 45 HA GLU 45 -16.363 9.841 0.096 352 1HB GLU 45 2HB GLU 45 -15.480 7.552 -1.667 353 2HB GLU 45 1HB GLU 45 -17.155 8.051 -1.481 354 1HG GLU 45 2HG GLU 45 -14.940 9.808 -2.512 355 2HG GLU 45 1HG GLU 45 -16.090 8.933 -3.520 356 H PHE 46 H PHE 46 -14.715 6.716 0.530 357 HA PHE 46 HA PHE 46 -16.847 5.542 1.995 358 1HB PHE 46 2HB PHE 46 -13.946 4.818 1.649 359 2HB PHE 46 1HB PHE 46 -15.023 3.889 2.683 360 HD1 PHE 46 1HD PHE 46 -17.355 3.317 1.451 361 HD2 PHE 46 2HD PHE 46 -13.614 3.990 -0.459 362 HE1 PHE 46 1HE PHE 46 -18.113 2.004 -0.483 363 HE2 PHE 46 2HE PHE 46 -14.366 2.681 -2.402 364 HZ PHE 46 HZ PHE 46 -16.618 1.683 -2.419 365 H ASP 47 H ASP 47 -13.784 7.032 2.957 366 HA ASP 47 HA ASP 47 -13.912 6.613 5.688 367 1HB ASP 47 2HB ASP 47 -11.910 7.468 4.635 368 2HB ASP 47 1HB ASP 47 -12.749 8.933 4.138 369 H LYS 48 H LYS 48 -15.356 9.183 3.752 370 HA LYS 48 HA LYS 48 -16.443 10.513 6.068 371 1HB LYS 48 2HB LYS 48 -15.726 11.893 4.243 372 2HB LYS 48 1HB LYS 48 -16.711 10.988 3.102 373 1HG LYS 48 2HG LYS 48 -17.719 13.129 3.613 374 2HG LYS 48 1HG LYS 48 -18.732 11.804 4.187 375 1HD LYS 48 2HD LYS 48 -18.616 13.580 5.850 376 2HD LYS 48 1HD LYS 48 -17.844 12.111 6.449 377 1HE LYS 48 2HE LYS 48 -15.652 13.026 5.877 378 2HE LYS 48 1HE LYS 48 -16.417 14.490 5.260 379 1HZ LYS 48 1HZ LYS 48 -15.481 14.479 7.639 380 2HZ LYS 48 2HZ LYS 48 -16.884 13.624 8.038 381 3HZ LYS 48 3HZ LYS 48 -17.001 15.174 7.372 382 H LYS 49 H LYS 49 -17.648 8.574 3.385 383 HA LYS 49 HA LYS 49 -20.387 8.798 4.117 384 1HB LYS 49 2HB LYS 49 -19.724 8.369 1.823 385 2HB LYS 49 1HB LYS 49 -18.980 6.849 2.300 386 1HG LYS 49 2HG LYS 49 -21.134 6.488 1.243 387 2HG LYS 49 1HG LYS 49 -21.157 5.967 2.928 388 1HD LYS 49 2HD LYS 49 -22.253 8.063 3.561 389 2HD LYS 49 1HD LYS 49 -22.232 8.583 1.874 390 1HE LYS 49 2HE LYS 49 -23.639 6.674 1.271 391 2HE LYS 49 1HE LYS 49 -23.659 6.153 2.955 392 1HZ LYS 49 1HZ LYS 49 -25.641 7.461 2.165 393 2HZ LYS 49 2HZ LYS 49 -24.633 8.817 2.104 394 3HZ LYS 49 3HZ LYS 49 -24.901 8.031 3.576 395 H TYR 50 H TYR 50 -18.224 5.983 4.171 396 HA TYR 50 HA TYR 50 -20.040 4.582 5.929 397 1HB TYR 50 2HB TYR 50 -17.409 3.770 4.695 398 2HB TYR 50 1HB TYR 50 -18.389 2.718 5.712 399 HD1 TYR 50 1HD TYR 50 -18.952 4.960 2.764 400 HD2 TYR 50 2HD TYR 50 -19.652 1.174 4.568 401 HE1 TYR 50 1HE TYR 50 -20.257 4.280 0.803 402 HE2 TYR 50 2HE TYR 50 -20.957 0.475 2.602 403 HH TYR 50 HH TYR 50 -20.827 1.589 -0.184 404 H ASN 51 H ASN 51 -17.372 6.629 6.317 405 HA ASN 51 HA ASN 51 -16.606 7.493 8.331 406 1HB ASN 51 2HB ASN 51 -17.431 4.897 9.652 407 2HB ASN 51 1HB ASN 51 -16.880 6.362 10.454 408 1HD2 ASN 51 1HD2 ASN 51 -19.526 4.610 9.784 409 2HD2 ASN 51 2HD2 ASN 51 -20.730 5.847 9.817 410 HA PRO 52 HA PRO 52 -12.578 5.898 7.740 411 1HB PRO 52 2HB PRO 52 -11.909 6.748 10.497 412 2HB PRO 52 1HB PRO 52 -11.199 7.253 8.962 413 1HG PRO 52 2HG PRO 52 -12.816 8.861 10.387 414 2HG PRO 52 1HG PRO 52 -12.779 8.887 8.617 415 1HD PRO 52 2HD PRO 52 -14.795 7.691 10.457 416 2HD PRO 52 1HD PRO 52 -15.026 8.475 8.882 417 H THR 53 H THR 53 -11.504 3.133 9.777 418 HA THR 53 HA THR 53 -10.809 5.459 8.117 419 HB THR 53 HB THR 53 -9.530 5.300 10.222 420 HG1 THR 53 1HG THR 53 -7.487 5.450 9.236 421 1HG2 THR 53 1HG2 THR 53 -8.634 3.441 11.001 422 2HG2 THR 53 2HG2 THR 53 -7.779 3.158 9.485 423 3HG2 THR 53 3HG2 THR 53 -9.426 2.566 9.693 424 H TRP 54 H TRP 54 -10.763 4.960 6.036 425 HA TRP 54 HA TRP 54 -10.294 2.203 5.228 426 1HB TRP 54 2HB TRP 54 -11.166 4.581 3.591 427 2HB TRP 54 1HB TRP 54 -11.087 2.915 3.025 428 HD1 TRP 54 HD TRP 54 -12.814 4.760 5.974 429 HE1 TRP 54 1HE TRP 54 -15.182 3.798 6.220 430 HE3 TRP 54 3HE TRP 54 -12.641 1.250 2.263 431 HZ2 TRP 54 2HZ TRP 54 -16.773 1.806 4.998 432 HZ3 TRP 54 3HZ TRP 54 -14.630 -0.147 1.868 433 HH2 TRP 54 HH TRP 54 -16.650 0.124 3.212 434 H HIS 55 H HIS 55 -8.534 1.474 4.327 435 HA HIS 55 HA HIS 55 -6.438 3.391 3.552 436 1HB HIS 55 2HB HIS 55 -6.048 0.454 4.122 437 2HB HIS 55 1HB HIS 55 -4.828 1.725 4.087 438 HD1 HIS 55 1HD HIS 55 -5.602 3.733 6.035 439 HD2 HIS 55 2HD HIS 55 -6.537 -0.264 6.662 440 HE1 HIS 55 1HE HIS 55 -5.963 3.509 8.512 441 HE2 HIS 55 2HE HIS 55 -6.567 1.089 8.865 442 H CYS 56 H CYS 56 -5.539 3.238 1.469 443 HA CYS 56 HA CYS 56 -6.526 1.084 -0.245 444 1HB CYS 56 2HB CYS 56 -8.163 2.874 -0.483 445 2HB CYS 56 1HB CYS 56 -6.885 4.012 -0.888 446 HG CYS 56 HG CYS 56 -7.987 1.820 -2.767 447 H ILE 57 H ILE 57 -5.309 0.575 -1.978 448 HA ILE 57 HA ILE 57 -2.935 2.145 -2.634 449 HB ILE 57 HB ILE 57 -2.749 -0.815 -2.058 450 1HG1 ILE 57 2HG1 ILE 57 -3.158 0.453 0.027 451 2HG1 ILE 57 1HG1 ILE 57 -1.539 -0.239 -0.020 452 1HG2 ILE 57 1HG2 ILE 57 -0.776 1.312 -2.826 453 2HG2 ILE 57 2HG2 ILE 57 -1.105 -0.228 -3.618 454 3HG2 ILE 57 3HG2 ILE 57 -0.270 -0.197 -2.065 455 1HD1 ILE 57 1HD1 ILE 57 -1.869 2.534 -0.993 456 2HD1 ILE 57 2HD1 ILE 57 -0.533 1.785 -0.121 457 3HD1 ILE 57 3HD1 ILE 57 -1.999 2.249 0.743 458 H VAL 58 H VAL 58 -2.192 1.749 -4.793 459 HA VAL 58 HA VAL 58 -3.518 -0.291 -6.366 460 HB VAL 58 HB VAL 58 -3.932 2.623 -7.055 461 1HG1 VAL 58 1HG1 VAL 58 -4.458 1.972 -9.110 462 2HG1 VAL 58 2HG1 VAL 58 -5.603 0.785 -8.487 463 3HG1 VAL 58 3HG1 VAL 58 -3.909 0.347 -8.702 464 1HG2 VAL 58 1HG2 VAL 58 -6.343 2.093 -6.680 465 2HG2 VAL 58 2HG2 VAL 58 -5.359 2.074 -5.218 466 3HG2 VAL 58 3HG2 VAL 58 -5.841 0.557 -5.976 467 H GLY 59 H GLY 59 -2.331 -0.915 -8.082 468 1HA GLY 59 2HA GLY 59 -0.554 0.690 -9.543 469 2HA GLY 59 1HA GLY 59 0.361 -0.125 -8.283 470 H ARG 60 H ARG 60 1.495 -1.645 -9.341 471 HA ARG 60 HA ARG 60 0.254 -3.989 -10.257 472 1HB ARG 60 2HB ARG 60 0.746 -3.854 -12.669 473 2HB ARG 60 1HB ARG 60 -0.438 -2.655 -12.169 474 1HG ARG 60 2HG ARG 60 1.438 -0.992 -12.058 475 2HG ARG 60 1HG ARG 60 2.466 -2.212 -12.812 476 1HD ARG 60 2HD ARG 60 -0.069 -1.055 -13.970 477 2HD ARG 60 1HD ARG 60 1.574 -0.663 -14.472 478 HE ARG 60 HE ARG 60 1.224 -3.427 -14.700 479 1HH1 ARG 60 1HH1 ARG 60 0.050 -0.482 -16.159 480 2HH1 ARG 60 2HH1 ARG 60 -0.255 -1.216 -17.697 481 1HH2 ARG 60 1HH2 ARG 60 0.820 -4.393 -16.729 482 2HH2 ARG 60 2HH2 ARG 60 0.183 -3.434 -18.020 483 H ASN 61 H ASN 61 2.387 -3.290 -8.565 484 HA ASN 61 HA ASN 61 4.286 -5.204 -9.086 485 1HB ASN 61 2HB ASN 61 4.948 -3.868 -11.043 486 2HB ASN 61 1HB ASN 61 5.230 -2.481 -10.005 487 1HD2 ASN 61 1HD2 ASN 61 6.147 -5.409 -8.538 488 2HD2 ASN 61 2HD2 ASN 61 7.837 -5.304 -8.855 489 H PHE 62 H PHE 62 3.335 -4.894 -6.768 490 HA PHE 62 HA PHE 62 5.470 -3.902 -5.121 491 1HB PHE 62 2HB PHE 62 4.252 -2.213 -3.909 492 2HB PHE 62 1HB PHE 62 4.187 -1.817 -5.624 493 HD1 PHE 62 1HD PHE 62 2.080 -2.750 -6.888 494 HD2 PHE 62 2HD PHE 62 2.308 -2.156 -2.686 495 HE1 PHE 62 1HE PHE 62 -0.374 -2.683 -6.774 496 HE2 PHE 62 2HE PHE 62 -0.147 -2.085 -2.560 497 HZ PHE 62 HZ PHE 62 -1.492 -2.347 -4.605 498 H GLY 63 H GLY 63 5.587 -5.009 -3.272 499 1HA GLY 63 2HA GLY 63 3.553 -6.998 -2.695 500 2HA GLY 63 1HA GLY 63 5.076 -6.787 -1.841 501 H SER 64 H SER 64 2.077 -6.976 -1.007 502 HA SER 64 HA SER 64 2.196 -4.602 0.742 503 1HB SER 64 2HB SER 64 0.443 -4.337 -0.970 504 2HB SER 64 1HB SER 64 -0.314 -5.828 -0.412 505 HG SER 64 HG SER 64 -0.703 -4.843 1.575 506 H TYR 65 H TYR 65 1.476 -4.764 2.815 507 HA TYR 65 HA TYR 65 0.502 -7.285 3.880 508 1HB TYR 65 2HB TYR 65 3.067 -7.333 3.879 509 2HB TYR 65 1HB TYR 65 2.987 -6.039 5.069 510 HD1 TYR 65 1HD TYR 65 1.407 -9.390 4.516 511 HD2 TYR 65 2HD TYR 65 3.213 -6.691 7.266 512 HE1 TYR 65 1HE TYR 65 1.196 -11.071 6.298 513 HE2 TYR 65 2HE TYR 65 3.007 -8.370 9.051 514 HH TYR 65 HH TYR 65 1.652 -10.340 9.581 515 H VAL 66 H VAL 66 -1.002 -6.823 5.411 516 HA VAL 66 HA VAL 66 -0.787 -4.439 7.063 517 HB VAL 66 HB VAL 66 -3.167 -4.792 5.234 518 1HG1 VAL 66 1HG1 VAL 66 -2.409 -2.770 7.290 519 2HG1 VAL 66 2HG1 VAL 66 -3.936 -3.619 7.072 520 3HG1 VAL 66 3HG1 VAL 66 -3.472 -2.332 5.962 521 1HG2 VAL 66 1HG2 VAL 66 -1.307 -4.192 3.845 522 2HG2 VAL 66 2HG2 VAL 66 -0.813 -2.927 4.970 523 3HG2 VAL 66 3HG2 VAL 66 -2.315 -2.763 4.064 524 H THR 67 H THR 67 -2.759 -4.242 8.537 525 HA THR 67 HA THR 67 -3.927 -6.883 9.148 526 HB THR 67 HB THR 67 -2.998 -4.789 11.136 527 HG1 THR 67 1HG THR 67 -1.347 -6.109 10.111 528 1HG2 THR 67 1HG2 THR 67 -4.103 -7.536 11.661 529 2HG2 THR 67 2HG2 THR 67 -4.955 -6.018 11.944 530 3HG2 THR 67 3HG2 THR 67 -3.498 -6.397 12.863 531 H HIS 68 H HIS 68 -6.097 -6.874 9.772 532 HA HIS 68 HA HIS 68 -7.515 -4.395 10.184 533 1HB HIS 68 2HB HIS 68 -8.907 -4.630 8.144 534 2HB HIS 68 1HB HIS 68 -7.209 -4.335 7.765 535 HD1 HIS 68 1HD HIS 68 -9.717 -7.156 7.888 536 HD2 HIS 68 2HD HIS 68 -5.976 -6.306 6.297 537 HE1 HIS 68 1HE HIS 68 -9.141 -9.126 6.444 538 HE2 HIS 68 2HE HIS 68 -6.826 -8.644 5.587 539 H GLU 69 H GLU 69 -9.680 -4.695 10.824 540 HA GLU 69 HA GLU 69 -10.263 -7.080 12.192 541 1HB GLU 69 2HB GLU 69 -12.469 -6.138 12.569 542 2HB GLU 69 1HB GLU 69 -11.249 -4.884 12.761 543 1HG GLU 69 2HG GLU 69 -11.742 -4.049 10.528 544 2HG GLU 69 1HG GLU 69 -12.946 -5.320 10.314 545 H THR 70 H THR 70 -11.641 -8.802 11.707 546 HA THR 70 HA THR 70 -11.691 -9.709 9.081 547 HB THR 70 HB THR 70 -13.338 -11.388 9.865 548 HG1 THR 70 1HG THR 70 -14.143 -11.278 11.904 549 1HG2 THR 70 1HG2 THR 70 -11.600 -11.446 12.178 550 2HG2 THR 70 2HG2 THR 70 -10.720 -11.151 10.679 551 3HG2 THR 70 3HG2 THR 70 -11.741 -12.580 10.835 552 H LYS 71 H LYS 71 -13.312 -9.928 7.537 553 HA LYS 71 HA LYS 71 -15.068 -9.283 6.251 554 1HB LYS 71 2HB LYS 71 -16.286 -8.491 8.903 555 2HB LYS 71 1HB LYS 71 -17.154 -8.549 7.375 556 1HG LYS 71 2HG LYS 71 -15.873 -10.885 8.776 557 2HG LYS 71 1HG LYS 71 -17.599 -10.528 8.699 558 1HD LYS 71 2HD LYS 71 -17.536 -10.775 6.262 559 2HD LYS 71 1HD LYS 71 -15.811 -11.141 6.346 560 1HE LYS 71 2HE LYS 71 -17.142 -13.179 6.143 561 2HE LYS 71 1HE LYS 71 -16.287 -13.123 7.684 562 1HZ LYS 71 1HZ LYS 71 -18.285 -12.504 8.795 563 2HZ LYS 71 2HZ LYS 71 -18.632 -13.861 7.847 564 3HZ LYS 71 3HZ LYS 71 -19.124 -12.326 7.336 565 H HIS 72 H HIS 72 -12.894 -7.533 6.648 566 HA HIS 72 HA HIS 72 -14.126 -5.069 5.768 567 1HB HIS 72 2HB HIS 72 -12.380 -5.134 8.237 568 2HB HIS 72 1HB HIS 72 -12.798 -3.665 7.361 569 HD1 HIS 72 1HD HIS 72 -14.568 -6.490 9.197 570 HD2 HIS 72 2HD HIS 72 -15.072 -2.481 8.233 571 HE1 HIS 72 1HE HIS 72 -16.671 -5.775 10.374 572 HE2 HIS 72 2HE HIS 72 -16.893 -3.319 9.866 573 H PHE 73 H PHE 73 -12.815 -6.628 4.131 574 HA PHE 73 HA PHE 73 -10.511 -5.076 3.406 575 1HB PHE 73 2HB PHE 73 -9.454 -6.645 4.947 576 2HB PHE 73 1HB PHE 73 -10.170 -8.004 4.085 577 HD1 PHE 73 1HD PHE 73 -7.984 -5.049 3.461 578 HD2 PHE 73 2HD PHE 73 -8.908 -9.089 2.499 579 HE1 PHE 73 1HE PHE 73 -6.035 -5.132 1.965 580 HE2 PHE 73 2HE PHE 73 -6.957 -9.183 1.003 581 HZ PHE 73 HZ PHE 73 -5.518 -7.201 0.735 582 H ILE 74 H ILE 74 -10.020 -5.220 1.232 583 HA ILE 74 HA ILE 74 -11.207 -7.310 -0.384 584 HB ILE 74 HB ILE 74 -13.078 -5.778 -0.250 585 1HG1 ILE 74 2HG1 ILE 74 -11.642 -5.635 -2.914 586 2HG1 ILE 74 1HG1 ILE 74 -12.738 -6.909 -2.386 587 1HG2 ILE 74 1HG2 ILE 74 -12.139 -3.717 0.339 588 2HG2 ILE 74 2HG2 ILE 74 -12.769 -3.464 -1.288 589 3HG2 ILE 74 3HG2 ILE 74 -11.043 -3.721 -1.043 590 1HD1 ILE 74 1HD1 ILE 74 -14.600 -5.436 -2.466 591 2HD1 ILE 74 2HD1 ILE 74 -13.718 -5.272 -3.982 592 3HD1 ILE 74 3HD1 ILE 74 -13.559 -4.039 -2.731 593 H TYR 75 H TYR 75 -10.153 -7.663 -2.231 594 HA TYR 75 HA TYR 75 -8.300 -5.690 -3.307 595 1HB TYR 75 2HB TYR 75 -6.959 -7.019 -1.709 596 2HB TYR 75 1HB TYR 75 -7.458 -8.497 -2.524 597 HD1 TYR 75 1HD TYR 75 -6.928 -8.509 -5.140 598 HD2 TYR 75 2HD TYR 75 -4.909 -6.127 -2.251 599 HE1 TYR 75 1HE TYR 75 -5.003 -8.319 -6.650 600 HE2 TYR 75 2HE TYR 75 -2.977 -5.931 -3.756 601 HH TYR 75 HH TYR 75 -2.369 -7.865 -6.228 602 H PHE 76 H PHE 76 -8.266 -5.777 -5.528 603 HA PHE 76 HA PHE 76 -8.924 -8.184 -6.945 604 1HB PHE 76 2HB PHE 76 -11.014 -7.328 -7.959 605 2HB PHE 76 1HB PHE 76 -11.155 -7.561 -6.223 606 HD1 PHE 76 1HD PHE 76 -10.374 -4.910 -8.723 607 HD2 PHE 76 2HD PHE 76 -12.057 -5.886 -4.938 608 HE1 PHE 76 1HE PHE 76 -11.153 -2.591 -8.474 609 HE2 PHE 76 2HE PHE 76 -12.838 -3.568 -4.684 610 HZ PHE 76 HZ PHE 76 -12.387 -1.916 -6.453 611 H TYR 77 H TYR 77 -8.316 -8.140 -9.048 612 HA TYR 77 HA TYR 77 -6.710 -5.944 -9.942 613 1HB TYR 77 2HB TYR 77 -7.597 -8.497 -11.286 614 2HB TYR 77 1HB TYR 77 -6.573 -7.311 -12.078 615 HD1 TYR 77 1HD TYR 77 -5.514 -9.895 -12.026 616 HD2 TYR 77 2HD TYR 77 -5.474 -7.038 -8.872 617 HE1 TYR 77 1HE TYR 77 -3.522 -10.977 -11.079 618 HE2 TYR 77 2HE TYR 77 -3.482 -8.115 -7.917 619 HH TYR 77 HH TYR 77 -2.535 -10.868 -8.256 620 H LEU 78 H LEU 78 -7.136 -4.485 -11.578 621 HA LEU 78 HA LEU 78 -9.480 -4.550 -13.185 622 1HB LEU 78 2HB LEU 78 -10.403 -3.936 -10.932 623 2HB LEU 78 1HB LEU 78 -9.434 -2.481 -10.988 624 HG LEU 78 HG LEU 78 -11.578 -3.141 -13.009 625 1HD1 LEU 78 1HD1 LEU 78 -12.134 -2.666 -10.448 626 2HD1 LEU 78 2HD1 LEU 78 -13.132 -2.054 -11.768 627 3HD1 LEU 78 3HD1 LEU 78 -11.944 -1.002 -10.998 628 1HD2 LEU 78 1HD2 LEU 78 -9.609 -0.986 -12.703 629 2HD2 LEU 78 2HD2 LEU 78 -11.260 -0.441 -12.989 630 3HD2 LEU 78 3HD2 LEU 78 -10.484 -1.533 -14.134 631 H GLY 79 H GLY 79 -9.299 -3.178 -14.895 632 1HA GLY 79 2HA GLY 79 -8.279 -1.747 -16.374 633 2HA GLY 79 1HA GLY 79 -8.000 -0.721 -14.975 634 H GLN 80 H GLN 80 -6.704 -3.946 -15.579 635 HA GLN 80 HA GLN 80 -4.579 -4.731 -15.656 636 1HB GLN 80 2HB GLN 80 -4.095 -2.078 -17.024 637 2HB GLN 80 1HB GLN 80 -2.967 -3.427 -17.023 638 1HG GLN 80 2HG GLN 80 -5.746 -3.494 -18.174 639 2HG GLN 80 1HG GLN 80 -4.270 -3.248 -19.101 640 1HE2 GLN 80 1HE2 GLN 80 -3.227 -5.322 -16.877 641 2HE2 GLN 80 2HE2 GLN 80 -3.602 -6.825 -17.633 642 H VAL 81 H VAL 81 -5.363 -3.407 -13.271 643 HA VAL 81 HA VAL 81 -2.765 -2.958 -12.115 644 HB VAL 81 HB VAL 81 -3.307 -0.766 -11.117 645 1HG1 VAL 81 1HG1 VAL 81 -2.698 0.540 -12.974 646 2HG1 VAL 81 2HG1 VAL 81 -3.512 -0.541 -14.107 647 3HG1 VAL 81 3HG1 VAL 81 -2.033 -1.060 -13.299 648 1HG2 VAL 81 1HG2 VAL 81 -5.635 -0.726 -13.034 649 2HG2 VAL 81 2HG2 VAL 81 -5.154 0.561 -11.929 650 3HG2 VAL 81 3HG2 VAL 81 -5.766 -0.966 -11.292 651 H ALA 82 H ALA 82 -2.732 -3.613 -10.037 652 HA ALA 82 HA ALA 82 -5.063 -4.836 -8.940 653 1HB ALA 82 1HB ALA 82 -3.227 -6.004 -8.280 654 2HB ALA 82 2HB ALA 82 -3.394 -4.946 -6.878 655 3HB ALA 82 3HB ALA 82 -2.222 -4.563 -8.139 656 H ILE 83 H ILE 83 -6.514 -4.062 -7.545 657 HA ILE 83 HA ILE 83 -6.012 -1.410 -6.367 658 HB ILE 83 HB ILE 83 -8.665 -2.684 -7.052 659 1HG1 ILE 83 2HG1 ILE 83 -7.175 -0.364 -8.301 660 2HG1 ILE 83 1HG1 ILE 83 -7.437 -1.944 -9.033 661 1HG2 ILE 83 1HG2 ILE 83 -9.472 -1.317 -5.480 662 2HG2 ILE 83 2HG2 ILE 83 -9.096 -0.003 -6.592 663 3HG2 ILE 83 3HG2 ILE 83 -7.946 -0.448 -5.332 664 1HD1 ILE 83 1HD1 ILE 83 -8.926 -0.076 -9.825 665 2HD1 ILE 83 2HD1 ILE 83 -9.693 -0.133 -8.239 666 3HD1 ILE 83 3HD1 ILE 83 -9.742 -1.544 -9.293 667 H LEU 84 H LEU 84 -6.319 -1.100 -4.207 668 HA LEU 84 HA LEU 84 -7.258 -3.391 -2.623 669 1HB LEU 84 2HB LEU 84 -4.809 -3.373 -2.602 670 2HB LEU 84 1HB LEU 84 -4.819 -1.711 -2.041 671 HG LEU 84 HG LEU 84 -5.910 -2.433 0.050 672 1HD1 LEU 84 1HD1 LEU 84 -6.250 -4.872 -1.440 673 2HD1 LEU 84 2HD1 LEU 84 -6.982 -4.375 0.087 674 3HD1 LEU 84 3HD1 LEU 84 -5.413 -5.181 0.082 675 1HD2 LEU 84 1HD2 LEU 84 -3.969 -3.389 1.054 676 2HD2 LEU 84 2HD2 LEU 84 -3.425 -2.287 -0.212 677 3HD2 LEU 84 3HD2 LEU 84 -3.413 -4.028 -0.492 678 H LEU 85 H LEU 85 -8.513 -2.906 -0.898 679 HA LEU 85 HA LEU 85 -8.624 -0.253 0.213 680 1HB LEU 85 2HB LEU 85 -10.028 -0.004 -1.793 681 2HB LEU 85 1HB LEU 85 -11.024 -1.344 -1.257 682 HG LEU 85 HG LEU 85 -11.681 -0.033 0.735 683 1HD1 LEU 85 1HD1 LEU 85 -10.186 2.220 -0.595 684 2HD1 LEU 85 2HD1 LEU 85 -9.665 1.368 0.858 685 3HD1 LEU 85 3HD1 LEU 85 -11.149 2.321 0.879 686 1HD2 LEU 85 1HD2 LEU 85 -13.390 0.340 -0.653 687 2HD2 LEU 85 2HD2 LEU 85 -12.327 0.607 -2.034 688 3HD2 LEU 85 3HD2 LEU 85 -12.668 1.927 -0.916 689 H PHE 86 H PHE 86 -9.447 -0.252 2.263 690 HA PHE 86 HA PHE 86 -11.201 -2.206 3.296 691 1HB PHE 86 2HB PHE 86 -9.603 -3.416 4.759 692 2HB PHE 86 1HB PHE 86 -9.332 -3.721 3.047 693 HD1 PHE 86 1HD PHE 86 -7.572 -2.086 1.924 694 HD2 PHE 86 2HD PHE 86 -7.781 -2.978 6.078 695 HE1 PHE 86 1HE PHE 86 -5.220 -1.427 2.175 696 HE2 PHE 86 2HE PHE 86 -5.425 -2.319 6.337 697 HZ PHE 86 HZ PHE 86 -4.143 -1.542 4.382 698 H LYS 87 H LYS 87 -12.097 -1.452 5.112 699 HA LYS 87 HA LYS 87 -10.953 0.948 6.298 700 1HB LYS 87 2HB LYS 87 -13.083 1.476 7.054 701 2HB LYS 87 1HB LYS 87 -13.418 0.632 5.553 702 1HG LYS 87 2HG LYS 87 -14.940 -0.373 6.899 703 2HG LYS 87 1HG LYS 87 -13.568 -1.453 7.157 704 1HD LYS 87 2HD LYS 87 -14.495 -0.941 9.299 705 2HD LYS 87 1HD LYS 87 -12.967 -0.069 9.158 706 1HE LYS 87 2HE LYS 87 -14.169 1.969 8.575 707 2HE LYS 87 1HE LYS 87 -15.702 1.104 8.679 708 1HZ LYS 87 1HZ LYS 87 -13.940 1.053 11.014 709 2HZ LYS 87 2HZ LYS 87 -15.629 1.058 10.937 710 3HZ LYS 87 3HZ LYS 87 -14.768 2.491 10.685 711 H SER 88 H SER 88 -10.328 1.139 8.407 712 HA SER 88 HA SER 88 -10.238 -1.356 9.957 713 1HB SER 88 2HB SER 88 -8.004 -0.663 9.249 714 2HB SER 88 1HB SER 88 -8.258 0.933 9.956 715 HG SER 88 HG SER 88 -7.488 0.082 11.707 716 H GLY 89 H GLY 89 -11.063 -1.357 11.967 717 1HA GLY 89 2HA GLY 89 -12.756 0.703 12.833 718 2HA GLY 89 1HA GLY 89 -12.194 -0.630 13.829 719 1H MET 1 1HT MET 1 26.612 -4.013 12.880 720 2H MET 1 2HT MET 1 26.896 -2.768 14.028 721 3H MET 1 3HT MET 1 28.038 -4.034 13.832 722 HA MET 1 HA MET 1 28.968 -2.280 12.734 723 1HB MET 1 2HB MET 1 27.400 -3.915 10.727 724 2HB MET 1 1HB MET 1 28.839 -2.973 10.366 725 1HG MET 1 2HG MET 1 30.147 -4.384 11.867 726 2HG MET 1 1HG MET 1 28.704 -5.328 12.235 727 1HE MET 1 1HE MET 1 29.708 -3.828 8.739 728 2HE MET 1 2HE MET 1 30.639 -5.159 8.048 729 3HE MET 1 3HE MET 1 31.259 -4.280 9.445 730 H CYS 2 H CYS 2 28.787 -0.240 12.004 731 HA CYS 2 HA CYS 2 26.316 1.092 12.051 732 1HB CYS 2 2HB CYS 2 28.441 2.234 12.477 733 2HB CYS 2 1HB CYS 2 28.932 1.966 10.808 734 HG CYS 2 HG CYS 2 27.937 4.412 11.233 735 H ASP 3 H ASP 3 24.819 1.495 10.543 736 HA ASP 3 HA ASP 3 25.230 1.739 7.798 737 1HB ASP 3 2HB ASP 3 24.242 -0.377 6.972 738 2HB ASP 3 1HB ASP 3 25.777 -0.631 7.796 739 H ARG 4 H ARG 4 23.465 2.631 6.876 740 HA ARG 4 HA ARG 4 20.797 2.059 7.499 741 1HB ARG 4 2HB ARG 4 21.722 3.274 9.636 742 2HB ARG 4 1HB ARG 4 21.535 4.722 8.662 743 1HG ARG 4 2HG ARG 4 19.323 2.767 9.253 744 2HG ARG 4 1HG ARG 4 19.613 4.259 10.145 745 1HD ARG 4 2HD ARG 4 19.008 4.076 7.196 746 2HD ARG 4 1HD ARG 4 17.846 4.497 8.451 747 HE ARG 4 HE ARG 4 20.022 6.240 8.654 748 1HH1 ARG 4 1HH1 ARG 4 17.415 5.513 6.451 749 2HH1 ARG 4 2HH1 ARG 4 17.330 7.124 5.823 750 1HH2 ARG 4 1HH2 ARG 4 19.912 8.359 7.829 751 2HH2 ARG 4 2HH2 ARG 4 18.747 8.741 6.605 752 H LYS 5 H LYS 5 21.889 2.256 5.130 753 HA LYS 5 HA LYS 5 21.988 4.812 3.944 754 1HB LYS 5 2HB LYS 5 21.398 2.149 2.629 755 2HB LYS 5 1HB LYS 5 21.946 3.609 1.814 756 1HG LYS 5 2HG LYS 5 23.505 2.045 3.860 757 2HG LYS 5 1HG LYS 5 23.764 2.026 2.114 758 1HD LYS 5 2HD LYS 5 24.293 4.416 2.170 759 2HD LYS 5 1HD LYS 5 24.035 4.432 3.916 760 1HE LYS 5 2HE LYS 5 26.410 4.305 3.385 761 2HE LYS 5 1HE LYS 5 25.866 2.841 4.203 762 1HZ LYS 5 1HZ LYS 5 25.767 1.718 2.078 763 2HZ LYS 5 2HZ LYS 5 27.316 2.351 2.323 764 3HZ LYS 5 3HZ LYS 5 26.243 3.127 1.270 765 H ALA 6 H ALA 6 20.100 3.802 1.667 766 HA ALA 6 HA ALA 6 17.963 4.165 0.987 767 1HB ALA 6 1HB ALA 6 16.169 3.605 2.448 768 2HB ALA 6 2HB ALA 6 17.161 3.889 3.877 769 3HB ALA 6 3HB ALA 6 17.503 2.515 2.826 770 H VAL 7 H VAL 7 17.038 6.046 0.397 771 HA VAL 7 HA VAL 7 17.589 8.408 1.973 772 HB VAL 7 HB VAL 7 16.616 9.634 0.106 773 1HG1 VAL 7 1HG1 VAL 7 18.447 7.794 -1.290 774 2HG1 VAL 7 2HG1 VAL 7 19.040 8.493 0.216 775 3HG1 VAL 7 3HG1 VAL 7 18.525 9.546 -1.103 776 1HG2 VAL 7 1HG2 VAL 7 16.439 7.812 -1.965 777 2HG2 VAL 7 2HG2 VAL 7 15.089 8.600 -1.147 778 3HG2 VAL 7 3HG2 VAL 7 15.631 7.008 -0.619 779 H ILE 8 H ILE 8 16.157 9.585 3.069 780 HA ILE 8 HA ILE 8 13.473 8.474 3.421 781 HB ILE 8 HB ILE 8 14.845 8.931 5.433 782 1HG1 ILE 8 2HG1 ILE 8 13.057 10.407 6.582 783 2HG1 ILE 8 1HG1 ILE 8 12.252 10.395 5.015 784 1HG2 ILE 8 1HG2 ILE 8 14.528 11.832 4.679 785 2HG2 ILE 8 2HG2 ILE 8 16.024 10.907 4.570 786 3HG2 ILE 8 3HG2 ILE 8 15.285 11.204 6.143 787 1HD1 ILE 8 1HD1 ILE 8 11.309 8.480 5.552 788 2HD1 ILE 8 2HD1 ILE 8 12.199 8.436 7.071 789 3HD1 ILE 8 3HD1 ILE 8 12.901 7.728 5.619 790 H LYS 9 H LYS 9 11.590 9.634 3.043 791 HA LYS 9 HA LYS 9 11.931 12.318 1.892 792 1HB LYS 9 2HB LYS 9 10.302 10.064 0.727 793 2HB LYS 9 1HB LYS 9 10.142 11.742 0.223 794 1HG LYS 9 2HG LYS 9 12.539 11.737 -0.397 795 2HG LYS 9 1HG LYS 9 12.598 10.018 -0.004 796 1HD LYS 9 2HD LYS 9 10.954 9.537 -1.718 797 2HD LYS 9 1HD LYS 9 10.779 11.259 -2.066 798 1HE LYS 9 2HE LYS 9 13.280 9.615 -2.435 799 2HE LYS 9 1HE LYS 9 12.206 10.173 -3.717 800 1HZ LYS 9 1HZ LYS 9 12.716 12.487 -2.856 801 2HZ LYS 9 2HZ LYS 9 13.960 11.691 -3.682 802 3HZ LYS 9 3HZ LYS 9 13.989 11.782 -1.992 803 H ASN 10 H ASN 10 9.673 10.002 3.360 804 HA ASN 10 HA ASN 10 8.066 12.318 4.231 805 1HB ASN 10 2HB ASN 10 7.143 9.469 3.817 806 2HB ASN 10 1HB ASN 10 6.140 10.798 4.382 807 1HD2 ASN 10 1HD2 ASN 10 6.831 9.003 1.773 808 2HD2 ASN 10 2HD2 ASN 10 6.442 10.122 0.516 809 H ALA 11 H ALA 11 10.227 11.850 5.722 810 HA ALA 11 HA ALA 11 10.073 9.968 7.767 811 1HB ALA 11 1HB ALA 11 12.036 10.894 8.228 812 2HB ALA 11 2HB ALA 11 11.215 12.331 8.839 813 3HB ALA 11 3HB ALA 11 11.675 12.234 7.140 814 H ASP 12 H ASP 12 9.059 9.865 9.704 815 HA ASP 12 HA ASP 12 7.864 12.023 11.053 816 1HB ASP 12 2HB ASP 12 6.267 11.989 9.199 817 2HB ASP 12 1HB ASP 12 5.949 10.283 9.489 818 H MET 13 H MET 13 9.509 10.201 11.984 819 HA MET 13 HA MET 13 7.971 8.876 14.022 820 1HB MET 13 2HB MET 13 9.507 7.297 11.969 821 2HB MET 13 1HB MET 13 9.198 6.667 13.577 822 1HG MET 13 2HG MET 13 6.783 6.914 13.181 823 2HG MET 13 1HG MET 13 7.136 7.456 11.541 824 1HE MET 13 1HE MET 13 5.464 5.359 10.627 825 2HE MET 13 2HE MET 13 5.210 5.133 12.358 826 3HE MET 13 3HE MET 13 5.632 3.754 11.342 827 H SER 14 H SER 14 9.151 8.473 15.859 828 HA SER 14 HA SER 14 11.326 10.006 16.480 829 1HB SER 14 2HB SER 14 10.643 7.292 17.639 830 2HB SER 14 1HB SER 14 11.715 8.476 18.388 831 HG SER 14 HG SER 14 8.998 8.366 18.369 832 H GLU 15 H GLU 15 13.546 9.747 16.556 833 HA GLU 15 HA GLU 15 14.882 8.665 14.461 834 1HB GLU 15 2HB GLU 15 15.932 8.905 17.281 835 2HB GLU 15 1HB GLU 15 16.924 8.733 15.840 836 1HG GLU 15 2HG GLU 15 16.070 10.861 14.997 837 2HG GLU 15 1HG GLU 15 15.077 11.032 16.443 838 H GLU 16 H GLU 16 14.091 7.000 17.464 839 HA GLU 16 HA GLU 16 15.574 4.660 16.898 840 1HB GLU 16 2HB GLU 16 14.256 3.627 18.700 841 2HB GLU 16 1HB GLU 16 14.886 5.200 19.169 842 1HG GLU 16 2HG GLU 16 12.707 6.207 18.729 843 2HG GLU 16 1HG GLU 16 12.075 4.631 18.259 844 H MET 17 H MET 17 12.171 5.504 16.364 845 HA MET 17 HA MET 17 11.394 2.974 15.407 846 1HB MET 17 2HB MET 17 10.235 5.699 14.819 847 2HB MET 17 1HB MET 17 9.455 4.176 14.420 848 1HG MET 17 2HG MET 17 9.353 3.609 16.792 849 2HG MET 17 1HG MET 17 10.135 5.137 17.190 850 1HE MET 17 1HE MET 17 6.371 4.973 18.313 851 2HE MET 17 2HE MET 17 7.595 6.151 18.784 852 3HE MET 17 3HE MET 17 8.011 4.440 18.678 853 H GLN 18 H GLN 18 12.434 5.892 13.690 854 HA GLN 18 HA GLN 18 12.166 4.787 11.115 855 1HB GLN 18 2HB GLN 18 13.638 6.672 10.397 856 2HB GLN 18 1HB GLN 18 12.236 7.160 11.335 857 1HG GLN 18 2HG GLN 18 13.691 7.292 13.338 858 2HG GLN 18 1HG GLN 18 15.076 6.948 12.301 859 1HE2 GLN 18 1HE2 GLN 18 13.209 9.334 13.656 860 2HE2 GLN 18 2HE2 GLN 18 13.703 10.661 12.672 861 H GLN 19 H GLN 19 14.869 4.817 13.392 862 HA GLN 19 HA GLN 19 16.731 3.763 11.499 863 1HB GLN 19 2HB GLN 19 18.199 3.379 13.405 864 2HB GLN 19 1HB GLN 19 17.483 4.983 13.493 865 1HG GLN 19 2HG GLN 19 15.881 4.192 15.130 866 2HG GLN 19 1HG GLN 19 16.559 2.569 15.033 867 1HE2 GLN 19 1HE2 GLN 19 17.852 2.096 16.645 868 2HE2 GLN 19 2HE2 GLN 19 18.867 3.197 17.505 869 H ASP 20 H ASP 20 14.555 2.358 13.889 870 HA ASP 20 HA ASP 20 15.536 -0.291 13.676 871 1HB ASP 20 2HB ASP 20 12.814 0.718 14.525 872 2HB ASP 20 1HB ASP 20 13.368 -0.942 14.712 873 H SER 21 H SER 21 13.007 1.470 11.956 874 HA SER 21 HA SER 21 12.053 -0.779 10.523 875 1HB SER 21 2HB SER 21 11.916 2.162 9.803 876 2HB SER 21 1HB SER 21 10.983 0.882 9.029 877 HG SER 21 HG SER 21 10.866 1.603 11.773 878 H VAL 22 H VAL 22 14.461 1.704 9.794 879 HA VAL 22 HA VAL 22 15.030 0.805 7.176 880 HB VAL 22 HB VAL 22 16.842 2.316 9.066 881 1HG1 VAL 22 1HG1 VAL 22 18.356 1.971 7.460 882 2HG1 VAL 22 2HG1 VAL 22 17.424 3.129 6.510 883 3HG1 VAL 22 3HG1 VAL 22 17.144 1.398 6.313 884 1HG2 VAL 22 1HG2 VAL 22 14.422 3.170 8.242 885 2HG2 VAL 22 2HG2 VAL 22 15.424 3.730 6.904 886 3HG2 VAL 22 3HG2 VAL 22 15.787 4.243 8.552 887 H GLU 23 H GLU 23 16.511 0.144 10.318 888 HA GLU 23 HA GLU 23 18.548 -1.545 9.302 889 1HB GLU 23 2HB GLU 23 17.355 -1.309 12.065 890 2HB GLU 23 1HB GLU 23 18.744 -2.317 11.685 891 1HG GLU 23 2HG GLU 23 18.623 0.664 11.292 892 2HG GLU 23 1HG GLU 23 19.356 -0.149 12.674 893 H CYS 24 H CYS 24 15.341 -2.158 10.658 894 HA CYS 24 HA CYS 24 15.548 -4.987 10.512 895 1HB CYS 24 2HB CYS 24 13.154 -3.158 10.709 896 2HB CYS 24 1HB CYS 24 13.032 -4.914 10.740 897 HG CYS 24 HG CYS 24 14.709 -4.620 12.938 898 H ALA 25 H ALA 25 14.501 -2.522 8.247 899 HA ALA 25 HA ALA 25 13.309 -4.344 6.400 900 1HB ALA 25 1HB ALA 25 13.716 -2.291 4.824 901 2HB ALA 25 2HB ALA 25 14.086 -1.462 6.334 902 3HB ALA 25 3HB ALA 25 12.504 -2.204 6.102 903 H THR 26 H THR 26 16.464 -2.853 6.810 904 HA THR 26 HA THR 26 17.582 -3.740 4.390 905 HB THR 26 HB THR 26 18.946 -3.068 7.001 906 HG1 THR 26 1HG THR 26 18.469 -1.477 4.704 907 1HG2 THR 26 1HG2 THR 26 20.030 -3.618 4.289 908 2HG2 THR 26 2HG2 THR 26 20.684 -4.028 5.875 909 3HG2 THR 26 3HG2 THR 26 20.785 -2.370 5.280 910 H GLN 27 H GLN 27 17.625 -5.105 7.654 911 HA GLN 27 HA GLN 27 19.242 -7.329 7.056 912 1HB GLN 27 2HB GLN 27 17.124 -6.962 9.181 913 2HB GLN 27 1HB GLN 27 18.222 -8.333 9.111 914 1HG GLN 27 2HG GLN 27 20.125 -6.847 9.382 915 2HG GLN 27 1HG GLN 27 19.047 -5.454 9.408 916 1HE2 GLN 27 1HE2 GLN 27 20.808 -7.421 11.301 917 2HE2 GLN 27 2HE2 GLN 27 19.933 -7.288 12.783 918 H ALA 28 H ALA 28 15.770 -6.797 6.883 919 HA ALA 28 HA ALA 28 14.946 -9.421 6.389 920 1HB ALA 28 1HB ALA 28 13.446 -7.533 6.919 921 2HB ALA 28 2HB ALA 28 12.916 -8.461 5.522 922 3HB ALA 28 3HB ALA 28 13.706 -6.901 5.298 923 H LEU 29 H LEU 29 15.975 -6.872 4.133 924 HA LEU 29 HA LEU 29 15.448 -8.325 1.786 925 1HB LEU 29 2HB LEU 29 17.292 -6.034 2.378 926 2HB LEU 29 1HB LEU 29 17.152 -6.724 0.770 927 HG LEU 29 HG LEU 29 14.787 -5.667 2.295 928 1HD1 LEU 29 1HD1 LEU 29 15.067 -3.735 0.592 929 2HD1 LEU 29 2HD1 LEU 29 16.750 -4.258 0.527 930 3HD1 LEU 29 3HD1 LEU 29 16.050 -3.730 2.056 931 1HD2 LEU 29 1HD2 LEU 29 14.912 -5.748 -0.654 932 2HD2 LEU 29 2HD2 LEU 29 13.562 -6.059 0.437 933 3HD2 LEU 29 3HD2 LEU 29 14.792 -7.297 0.180 934 H GLU 30 H GLU 30 18.400 -7.981 3.701 935 HA GLU 30 HA GLU 30 19.995 -9.592 1.980 936 1HB GLU 30 2HB GLU 30 21.617 -9.593 3.838 937 2HB GLU 30 1HB GLU 30 21.027 -7.978 3.471 938 1HG GLU 30 2HG GLU 30 19.487 -8.114 5.362 939 2HG GLU 30 1HG GLU 30 20.096 -9.726 5.737 940 H LYS 31 H LYS 31 17.939 -10.255 4.736 941 HA LYS 31 HA LYS 31 18.869 -12.970 5.004 942 1HB LYS 31 2HB LYS 31 16.624 -11.460 6.335 943 2HB LYS 31 1HB LYS 31 17.024 -13.134 6.696 944 1HG LYS 31 2HG LYS 31 19.236 -12.464 7.447 945 2HG LYS 31 1HG LYS 31 18.875 -10.785 7.048 946 1HD LYS 31 2HD LYS 31 17.058 -10.787 8.688 947 2HD LYS 31 1HD LYS 31 17.414 -12.469 9.082 948 1HE LYS 31 2HE LYS 31 19.277 -10.125 9.449 949 2HE LYS 31 1HE LYS 31 18.387 -10.950 10.728 950 1HZ LYS 31 1HZ LYS 31 20.699 -11.889 9.174 951 2HZ LYS 31 2HZ LYS 31 19.619 -13.022 9.817 952 3HZ LYS 31 3HZ LYS 31 20.432 -11.953 10.844 953 H TYR 32 H TYR 32 16.120 -11.310 3.562 954 HA TYR 32 HA TYR 32 15.239 -13.921 2.531 955 1HB TYR 32 2HB TYR 32 13.457 -11.574 3.190 956 2HB TYR 32 1HB TYR 32 12.934 -13.146 2.594 957 HD1 TYR 32 1HD TYR 32 14.117 -15.131 4.158 958 HD2 TYR 32 2HD TYR 32 12.940 -11.234 5.398 959 HE1 TYR 32 1HE TYR 32 13.902 -15.938 6.471 960 HE2 TYR 32 2HE TYR 32 12.720 -12.029 7.715 961 HH TYR 32 HH TYR 32 12.255 -14.665 8.719 962 H ASN 33 H ASN 33 15.303 -10.432 1.887 963 HA ASN 33 HA ASN 33 15.528 -9.259 -0.050 964 1HB ASN 33 2HB ASN 33 17.329 -10.854 -0.597 965 2HB ASN 33 1HB ASN 33 16.143 -11.947 -1.302 966 1HD2 ASN 33 1HD2 ASN 33 16.092 -11.880 -3.415 967 2HD2 ASN 33 2HD2 ASN 33 16.396 -10.498 -4.405 968 H ILE 34 H ILE 34 13.009 -9.656 0.680 969 HA ILE 34 HA ILE 34 11.623 -9.887 -1.874 970 HB ILE 34 HB ILE 34 10.706 -11.389 0.582 971 1HG1 ILE 34 2HG1 ILE 34 11.738 -12.398 -2.078 972 2HG1 ILE 34 1HG1 ILE 34 12.587 -12.495 -0.538 973 1HG2 ILE 34 1HG2 ILE 34 9.487 -11.279 -2.174 974 2HG2 ILE 34 2HG2 ILE 34 8.870 -10.433 -0.755 975 3HG2 ILE 34 3HG2 ILE 34 8.885 -12.196 -0.792 976 1HD1 ILE 34 1HD1 ILE 34 11.103 -14.095 0.302 977 2HD1 ILE 34 2HD1 ILE 34 11.419 -14.588 -1.361 978 3HD1 ILE 34 3HD1 ILE 34 9.908 -13.771 -0.954 979 H GLU 35 H GLU 35 10.041 -8.409 -2.095 980 HA GLU 35 HA GLU 35 9.845 -6.259 -0.309 981 1HB GLU 35 2HB GLU 35 7.833 -7.051 -2.421 982 2HB GLU 35 1HB GLU 35 8.063 -5.450 -1.734 983 1HG GLU 35 2HG GLU 35 10.043 -6.951 -3.433 984 2HG GLU 35 1HG GLU 35 9.033 -5.600 -3.949 985 H LYS 36 H LYS 36 7.574 -8.910 -0.947 986 HA LYS 36 HA LYS 36 5.649 -8.064 0.950 987 1HB LYS 36 2HB LYS 36 5.284 -9.570 -1.045 988 2HB LYS 36 1HB LYS 36 6.021 -10.861 -0.113 989 1HG LYS 36 2HG LYS 36 3.600 -9.342 0.814 990 2HG LYS 36 1HG LYS 36 3.509 -10.813 -0.152 991 1HD LYS 36 2HD LYS 36 4.685 -10.517 2.608 992 2HD LYS 36 1HD LYS 36 3.217 -11.379 2.160 993 1HE LYS 36 2HE LYS 36 6.030 -12.098 1.346 994 2HE LYS 36 1HE LYS 36 5.034 -12.942 2.530 995 1HZ LYS 36 1HZ LYS 36 4.322 -12.647 -0.337 996 2HZ LYS 36 2HZ LYS 36 3.515 -13.583 0.818 997 3HZ LYS 36 3HZ LYS 36 5.074 -14.014 0.322 998 H ASP 37 H ASP 37 8.100 -10.666 1.093 999 HA ASP 37 HA ASP 37 7.438 -11.546 3.670 1000 1HB ASP 37 2HB ASP 37 8.865 -12.780 2.026 1001 2HB ASP 37 1HB ASP 37 10.175 -11.664 2.404 1002 H ILE 38 H ILE 38 9.834 -9.145 2.621 1003 HA ILE 38 HA ILE 38 11.039 -8.639 5.079 1004 HB ILE 38 HB ILE 38 10.541 -6.838 2.711 1005 1HG1 ILE 38 2HG1 ILE 38 12.534 -7.542 1.918 1006 2HG1 ILE 38 1HG1 ILE 38 13.300 -7.457 3.495 1007 1HG2 ILE 38 1HG2 ILE 38 10.715 -5.233 4.366 1008 2HG2 ILE 38 2HG2 ILE 38 12.388 -5.414 3.838 1009 3HG2 ILE 38 3HG2 ILE 38 11.843 -6.192 5.324 1010 1HD1 ILE 38 1HD1 ILE 38 13.387 -9.701 2.637 1011 2HD1 ILE 38 2HD1 ILE 38 11.638 -9.731 2.434 1012 3HD1 ILE 38 3HD1 ILE 38 12.334 -9.650 4.049 1013 H ALA 39 H ALA 39 8.250 -7.002 3.606 1014 HA ALA 39 HA ALA 39 7.713 -5.280 5.765 1015 1HB ALA 39 1HB ALA 39 5.976 -6.325 3.541 1016 2HB ALA 39 2HB ALA 39 6.770 -4.754 3.657 1017 3HB ALA 39 3HB ALA 39 5.418 -5.139 4.723 1018 H ALA 40 H ALA 40 7.051 -8.631 5.252 1019 HA ALA 40 HA ALA 40 4.848 -8.919 6.998 1020 1HB ALA 40 1HB ALA 40 5.699 -10.537 5.212 1021 2HB ALA 40 2HB ALA 40 5.097 -11.222 6.720 1022 3HB ALA 40 3HB ALA 40 6.833 -11.093 6.443 1023 H HIS 41 H HIS 41 8.291 -9.708 7.486 1024 HA HIS 41 HA HIS 41 8.019 -10.376 10.202 1025 1HB HIS 41 2HB HIS 41 10.226 -10.863 10.098 1026 2HB HIS 41 1HB HIS 41 10.016 -10.601 8.372 1027 HD1 HIS 41 1HD HIS 41 11.038 -8.640 11.455 1028 HD2 HIS 41 2HD HIS 41 11.642 -8.674 7.344 1029 HE1 HIS 41 1HE HIS 41 12.745 -6.851 11.016 1030 HE2 HIS 41 2HE HIS 41 12.970 -6.781 8.511 1031 H ILE 42 H ILE 42 9.037 -7.360 8.641 1032 HA ILE 42 HA ILE 42 9.638 -5.919 10.958 1033 HB ILE 42 HB ILE 42 8.638 -4.906 8.294 1034 1HG1 ILE 42 2HG1 ILE 42 11.429 -5.146 9.424 1035 2HG1 ILE 42 1HG1 ILE 42 10.732 -6.171 8.172 1036 1HG2 ILE 42 1HG2 ILE 42 9.745 -2.769 9.006 1037 2HG2 ILE 42 2HG2 ILE 42 9.824 -3.438 10.636 1038 3HG2 ILE 42 3HG2 ILE 42 8.259 -3.170 9.868 1039 1HD1 ILE 42 1HD1 ILE 42 12.084 -3.697 7.898 1040 2HD1 ILE 42 2HD1 ILE 42 10.424 -3.494 7.339 1041 3HD1 ILE 42 3HD1 ILE 42 11.441 -4.755 6.642 1042 H LYS 43 H LYS 43 6.569 -6.223 9.201 1043 HA LYS 43 HA LYS 43 5.133 -4.326 10.686 1044 1HB LYS 43 2HB LYS 43 4.492 -5.418 8.484 1045 2HB LYS 43 1HB LYS 43 3.955 -6.797 9.428 1046 1HG LYS 43 2HG LYS 43 2.894 -4.001 9.760 1047 2HG LYS 43 1HG LYS 43 2.146 -5.236 8.749 1048 1HD LYS 43 2HD LYS 43 2.526 -5.323 11.741 1049 2HD LYS 43 1HD LYS 43 1.009 -5.147 10.868 1050 1HE LYS 43 2HE LYS 43 1.358 -7.378 9.871 1051 2HE LYS 43 1HE LYS 43 2.822 -7.555 10.837 1052 1HZ LYS 43 1HZ LYS 43 0.428 -8.411 11.615 1053 2HZ LYS 43 2HZ LYS 43 0.418 -6.868 12.309 1054 3HZ LYS 43 3HZ LYS 43 1.650 -7.960 12.695 1055 H LYS 44 H LYS 44 5.229 -7.889 11.077 1056 HA LYS 44 HA LYS 44 3.540 -7.946 13.314 1057 1HB LYS 44 2HB LYS 44 4.307 -10.199 13.692 1058 2HB LYS 44 1HB LYS 44 4.098 -9.934 11.968 1059 1HG LYS 44 2HG LYS 44 6.489 -9.703 11.679 1060 2HG LYS 44 1HG LYS 44 6.735 -9.866 13.420 1061 1HD LYS 44 2HD LYS 44 5.737 -12.120 13.324 1062 2HD LYS 44 1HD LYS 44 5.571 -11.955 11.576 1063 1HE LYS 44 2HE LYS 44 7.551 -13.261 12.184 1064 2HE LYS 44 1HE LYS 44 7.984 -11.775 11.346 1065 1HZ LYS 44 1HZ LYS 44 8.998 -10.945 13.158 1066 2HZ LYS 44 2HZ LYS 44 9.125 -12.571 13.604 1067 3HZ LYS 44 3HZ LYS 44 7.885 -11.615 14.242 1068 H GLU 45 H GLU 45 7.083 -7.728 13.149 1069 HA GLU 45 HA GLU 45 7.573 -7.970 15.896 1070 1HB GLU 45 2HB GLU 45 9.112 -6.530 13.732 1071 2HB GLU 45 1HB GLU 45 9.706 -6.711 15.377 1072 1HG GLU 45 2HG GLU 45 9.002 -8.985 13.536 1073 2HG GLU 45 1HG GLU 45 10.632 -8.378 13.827 1074 H PHE 46 H PHE 46 6.954 -5.050 13.946 1075 HA PHE 46 HA PHE 46 7.315 -3.243 16.086 1076 1HB PHE 46 2HB PHE 46 5.955 -3.048 13.422 1077 2HB PHE 46 1HB PHE 46 5.782 -1.750 14.598 1078 HD1 PHE 46 1HD PHE 46 8.302 -1.394 15.800 1079 HD2 PHE 46 2HD PHE 46 7.441 -2.454 11.769 1080 HE1 PHE 46 1HE PHE 46 10.453 -0.432 15.092 1081 HE2 PHE 46 2HE PHE 46 9.593 -1.491 11.057 1082 HZ PHE 46 HZ PHE 46 11.101 -0.482 12.718 1083 H ASP 47 H ASP 47 4.509 -4.988 14.883 1084 HA ASP 47 HA ASP 47 2.577 -3.702 16.490 1085 1HB ASP 47 2HB ASP 47 2.566 -6.511 15.361 1086 2HB ASP 47 1HB ASP 47 1.165 -5.677 16.028 1087 H LYS 48 H LYS 48 4.669 -6.477 17.026 1088 HA LYS 48 HA LYS 48 3.480 -7.092 19.573 1089 1HB LYS 48 2HB LYS 48 5.209 -8.819 19.738 1090 2HB LYS 48 1HB LYS 48 4.378 -8.889 18.197 1091 1HG LYS 48 2HG LYS 48 6.598 -9.251 17.662 1092 2HG LYS 48 1HG LYS 48 6.326 -7.559 17.266 1093 1HD LYS 48 2HD LYS 48 8.481 -7.987 18.428 1094 2HD LYS 48 1HD LYS 48 7.444 -6.853 19.281 1095 1HE LYS 48 2HE LYS 48 8.492 -8.472 20.797 1096 2HE LYS 48 1HE LYS 48 6.736 -8.603 20.804 1097 1HZ LYS 48 1HZ LYS 48 7.669 -10.784 20.729 1098 2HZ LYS 48 2HZ LYS 48 8.653 -10.390 19.411 1099 3HZ LYS 48 3HZ LYS 48 6.975 -10.472 19.217 1100 H LYS 49 H LYS 49 6.123 -5.183 18.399 1101 HA LYS 49 HA LYS 49 7.295 -4.896 21.038 1102 1HB LYS 49 2HB LYS 49 8.792 -5.106 19.150 1103 2HB LYS 49 1HB LYS 49 8.047 -3.721 18.367 1104 1HG LYS 49 2HG LYS 49 10.177 -3.127 19.360 1105 2HG LYS 49 1HG LYS 49 8.853 -2.270 20.147 1106 1HD LYS 49 2HD LYS 49 8.892 -3.896 21.978 1107 2HD LYS 49 1HD LYS 49 10.219 -4.751 21.188 1108 1HE LYS 49 2HE LYS 49 11.048 -3.301 22.962 1109 2HE LYS 49 1HE LYS 49 11.622 -2.761 21.385 1110 1HZ LYS 49 1HZ LYS 49 10.884 -0.906 22.742 1111 2HZ LYS 49 2HZ LYS 49 9.343 -1.589 22.887 1112 3HZ LYS 49 3HZ LYS 49 9.898 -1.070 21.376 1113 H TYR 50 H TYR 50 6.248 -2.562 18.573 1114 HA TYR 50 HA TYR 50 5.931 -0.524 20.597 1115 1HB TYR 50 2HB TYR 50 5.575 -0.452 17.603 1116 2HB TYR 50 1HB TYR 50 5.375 0.947 18.654 1117 HD1 TYR 50 1HD TYR 50 7.911 -1.760 18.122 1118 HD2 TYR 50 2HD TYR 50 7.170 2.380 18.752 1119 HE1 TYR 50 1HE TYR 50 10.323 -1.317 17.994 1120 HE2 TYR 50 2HE TYR 50 9.582 2.838 18.621 1121 HH TYR 50 HH TYR 50 11.647 1.496 17.404 1122 H ASN 51 H ASN 51 3.906 -2.819 19.134 1123 HA ASN 51 HA ASN 51 1.729 -3.300 19.805 1124 1HB ASN 51 2HB ASN 51 1.384 -0.358 20.423 1125 2HB ASN 51 1HB ASN 51 0.237 -1.643 20.765 1126 1HD2 ASN 51 1HD2 ASN 51 2.420 0.298 22.153 1127 2HD2 ASN 51 2HD2 ASN 51 2.903 -0.683 23.492 1128 HA PRO 52 HA PRO 52 0.191 -2.643 15.752 1129 1HB PRO 52 2HB PRO 52 -2.445 -3.307 16.156 1130 2HB PRO 52 1HB PRO 52 -1.140 -4.482 15.964 1131 1HG PRO 52 2HG PRO 52 -2.418 -3.461 18.470 1132 2HG PRO 52 1HG PRO 52 -1.938 -5.116 18.051 1133 1HD PRO 52 2HD PRO 52 -0.442 -3.583 19.669 1134 2HD PRO 52 1HD PRO 52 0.295 -4.722 18.524 1135 H THR 53 H THR 53 -2.102 0.041 15.156 1136 HA THR 53 HA THR 53 -1.040 -2.599 14.405 1137 HB THR 53 HB THR 53 -3.490 -2.395 14.229 1138 HG1 THR 53 1HG THR 53 -2.288 -2.480 11.665 1139 1HG2 THR 53 1HG2 THR 53 -4.468 -1.022 12.447 1140 2HG2 THR 53 2HG2 THR 53 -2.904 -0.244 12.212 1141 3HG2 THR 53 3HG2 THR 53 -3.761 -0.056 13.742 1142 H TRP 54 H TRP 54 0.566 -2.671 12.985 1143 HA TRP 54 HA TRP 54 1.304 -0.183 11.631 1144 1HB TRP 54 2HB TRP 54 2.910 -2.691 12.107 1145 2HB TRP 54 1HB TRP 54 3.500 -1.256 11.275 1146 HD1 TRP 54 HD TRP 54 1.841 -1.933 14.724 1147 HE1 TRP 54 1HE TRP 54 3.104 -0.553 16.481 1148 HE3 TRP 54 3HE TRP 54 5.235 0.342 11.656 1149 HZ2 TRP 54 2HZ TRP 54 5.270 1.274 16.556 1150 HZ3 TRP 54 3HZ TRP 54 6.870 1.893 12.649 1151 HH2 TRP 54 HH TRP 54 6.884 2.348 15.049 1152 H HIS 55 H HIS 55 1.214 0.071 9.528 1153 HA HIS 55 HA HIS 55 0.534 -2.262 7.869 1154 1HB HIS 55 2HB HIS 55 0.059 0.617 7.109 1155 2HB HIS 55 1HB HIS 55 -0.736 -0.830 6.487 1156 HD1 HIS 55 1HD HIS 55 -1.915 -2.184 8.788 1157 HD2 HIS 55 2HD HIS 55 -1.672 1.955 8.679 1158 HE1 HIS 55 1HE HIS 55 -3.669 -1.373 10.387 1159 HE2 HIS 55 2HE HIS 55 -3.574 1.142 10.231 1160 H CYS 56 H CYS 56 1.906 -2.798 6.218 1161 HA CYS 56 HA CYS 56 3.995 -0.848 5.523 1162 1HB CYS 56 2HB CYS 56 4.920 -2.416 7.174 1163 2HB CYS 56 1HB CYS 56 4.490 -3.767 6.129 1164 HG CYS 56 HG CYS 56 7.029 -3.104 5.835 1165 H ILE 57 H ILE 57 4.891 -1.000 3.498 1166 HA ILE 57 HA ILE 57 3.934 -2.996 1.619 1167 HB ILE 57 HB ILE 57 3.464 -0.047 1.140 1168 1HG1 ILE 57 2HG1 ILE 57 1.490 -2.291 1.619 1169 2HG1 ILE 57 1HG1 ILE 57 1.853 -0.982 2.739 1170 1HG2 ILE 57 1HG2 ILE 57 3.014 -2.483 -0.562 1171 2HG2 ILE 57 2HG2 ILE 57 3.984 -1.057 -0.931 1172 3HG2 ILE 57 3HG2 ILE 57 2.225 -0.939 -0.876 1173 1HD1 ILE 57 1HD1 ILE 57 -0.238 -0.605 1.559 1174 2HD1 ILE 57 2HD1 ILE 57 0.612 -0.672 0.016 1175 3HD1 ILE 57 3HD1 ILE 57 0.954 0.630 1.155 1176 H VAL 58 H VAL 58 5.341 -3.256 -0.133 1177 HA VAL 58 HA VAL 58 7.511 -1.355 -0.495 1178 HB VAL 58 HB VAL 58 8.095 -4.236 0.207 1179 1HG1 VAL 58 1HG1 VAL 58 10.401 -3.684 0.028 1180 2HG1 VAL 58 2HG1 VAL 58 10.041 -1.971 -0.183 1181 3HG1 VAL 58 3HG1 VAL 58 9.621 -3.123 -1.450 1182 1HG2 VAL 58 1HG2 VAL 58 7.456 -3.116 2.209 1183 2HG2 VAL 58 2HG2 VAL 58 8.423 -1.699 1.796 1184 3HG2 VAL 58 3HG2 VAL 58 9.217 -3.219 2.207 1185 H GLY 59 H GLY 59 8.385 -1.385 -2.507 1186 1HA GLY 59 2HA GLY 59 8.334 -3.531 -4.316 1187 2HA GLY 59 1HA GLY 59 6.906 -2.547 -4.603 1188 H ARG 60 H ARG 60 7.291 -1.424 -6.415 1189 HA ARG 60 HA ARG 60 9.218 0.653 -6.424 1190 1HB ARG 60 2HB ARG 60 10.693 -0.118 -8.204 1191 2HB ARG 60 1HB ARG 60 10.772 -1.203 -6.822 1192 1HG ARG 60 2HG ARG 60 9.362 -2.805 -7.946 1193 2HG ARG 60 1HG ARG 60 9.140 -1.699 -9.303 1194 1HD ARG 60 2HD ARG 60 10.791 -3.392 -9.850 1195 2HD ARG 60 1HD ARG 60 11.545 -1.801 -9.767 1196 HE ARG 60 HE ARG 60 11.780 -3.045 -7.266 1197 1HH1 ARG 60 1HH1 ARG 60 12.992 -3.351 -10.524 1198 2HH1 ARG 60 2HH1 ARG 60 14.489 -4.072 -10.034 1199 1HH2 ARG 60 1HH2 ARG 60 13.748 -3.995 -6.618 1200 2HH2 ARG 60 2HH2 ARG 60 14.918 -4.438 -7.816 1201 H ASN 61 H ASN 61 6.393 0.238 -7.005 1202 HA ASN 61 HA ASN 61 5.936 2.031 -8.999 1203 1HB ASN 61 2HB ASN 61 6.955 0.563 -10.630 1204 2HB ASN 61 1HB ASN 61 5.947 -0.781 -10.111 1205 1HD2 ASN 61 1HD2 ASN 61 4.282 -1.187 -11.339 1206 2HD2 ASN 61 2HD2 ASN 61 3.463 -0.064 -12.367 1207 H PHE 62 H PHE 62 4.416 2.392 -7.285 1208 HA PHE 62 HA PHE 62 1.820 1.371 -7.867 1209 1HB PHE 62 2HB PHE 62 1.363 0.189 -5.817 1210 2HB PHE 62 1HB PHE 62 2.781 -0.532 -6.571 1211 HD1 PHE 62 1HD PHE 62 5.070 0.618 -5.777 1212 HD2 PHE 62 2HD PHE 62 1.446 0.521 -3.556 1213 HE1 PHE 62 1HE PHE 62 6.342 0.954 -3.698 1214 HE2 PHE 62 2HE PHE 62 2.708 0.858 -1.472 1215 HZ PHE 62 HZ PHE 62 5.160 1.075 -1.541 1216 H GLY 63 H GLY 63 0.311 2.779 -7.265 1217 1HA GLY 63 2HA GLY 63 1.106 5.171 -5.839 1218 2HA GLY 63 1HA GLY 63 -0.479 4.847 -6.535 1219 H SER 64 H SER 64 0.710 5.623 -3.709 1220 HA SER 64 HA SER 64 -1.020 3.720 -2.275 1221 1HB SER 64 2HB SER 64 1.307 3.175 -1.805 1222 2HB SER 64 1HB SER 64 1.619 4.841 -1.320 1223 HG SER 64 HG SER 64 0.146 4.544 0.391 1224 H TYR 65 H TYR 65 -2.261 4.443 -0.645 1225 HA TYR 65 HA TYR 65 -2.057 7.151 0.336 1226 1HB TYR 65 2HB TYR 65 -3.500 7.166 -1.816 1227 2HB TYR 65 1HB TYR 65 -4.702 6.323 -0.845 1228 HD1 TYR 65 1HD TYR 65 -4.923 7.544 1.631 1229 HD2 TYR 65 2HD TYR 65 -3.899 9.412 -2.052 1230 HE1 TYR 65 1HE TYR 65 -5.707 9.702 2.512 1231 HE2 TYR 65 2HE TYR 65 -4.681 11.574 -1.183 1232 HH TYR 65 HH TYR 65 -6.336 12.346 0.611 1233 H VAL 66 H VAL 66 -2.348 6.969 2.470 1234 HA VAL 66 HA VAL 66 -4.412 5.229 3.560 1235 HB VAL 66 HB VAL 66 -1.520 4.847 4.345 1236 1HG1 VAL 66 1HG1 VAL 66 -4.050 3.413 5.106 1237 2HG1 VAL 66 2HG1 VAL 66 -2.957 4.307 6.160 1238 3HG1 VAL 66 3HG1 VAL 66 -2.437 2.785 5.435 1239 1HG2 VAL 66 1HG2 VAL 66 -1.738 3.994 2.121 1240 2HG2 VAL 66 2HG2 VAL 66 -3.250 3.181 2.523 1241 3HG2 VAL 66 3HG2 VAL 66 -1.735 2.620 3.226 1242 H THR 67 H THR 67 -4.565 5.450 5.954 1243 HA THR 67 HA THR 67 -3.724 8.142 6.802 1244 HB THR 67 HB THR 67 -5.928 6.359 7.883 1245 HG1 THR 67 1HG THR 67 -7.191 7.368 6.554 1246 1HG2 THR 67 1HG2 THR 67 -6.679 8.310 9.130 1247 2HG2 THR 67 2HG2 THR 67 -5.257 9.205 8.594 1248 3HG2 THR 67 3HG2 THR 67 -5.071 7.797 9.641 1249 H HIS 68 H HIS 68 -3.056 8.394 9.078 1250 HA HIS 68 HA HIS 68 -2.268 6.059 10.556 1251 1HB HIS 68 2HB HIS 68 0.184 6.588 10.429 1252 2HB HIS 68 1HB HIS 68 -0.511 5.978 8.929 1253 HD1 HIS 68 1HD HIS 68 0.531 9.263 10.510 1254 HD2 HIS 68 2HD HIS 68 -0.213 7.616 6.769 1255 HE1 HIS 68 1HE HIS 68 1.201 11.030 8.854 1256 HE2 HIS 68 2HE HIS 68 0.689 10.034 6.597 1257 H GLU 69 H GLU 69 -1.684 6.478 12.630 1258 HA GLU 69 HA GLU 69 -2.562 8.880 13.797 1259 1HB GLU 69 2HB GLU 69 -2.538 6.669 14.920 1260 2HB GLU 69 1HB GLU 69 -0.785 6.752 14.991 1261 1HG GLU 69 2HG GLU 69 -0.937 8.740 16.396 1262 2HG GLU 69 1HG GLU 69 -2.695 8.644 16.327 1263 H THR 70 H THR 70 -1.289 10.330 15.167 1264 HA THR 70 HA THR 70 0.744 11.630 13.795 1265 HB THR 70 HB THR 70 1.140 12.869 15.894 1266 HG1 THR 70 1HG THR 70 -0.469 10.810 16.965 1267 1HG2 THR 70 1HG2 THR 70 -1.253 13.537 16.371 1268 2HG2 THR 70 2HG2 THR 70 -1.716 12.360 15.143 1269 3HG2 THR 70 3HG2 THR 70 -0.689 13.727 14.710 1270 H LYS 71 H LYS 71 2.948 11.682 13.914 1271 HA LYS 71 HA LYS 71 5.074 10.920 14.199 1272 1HB LYS 71 2HB LYS 71 4.040 9.834 16.823 1273 2HB LYS 71 1HB LYS 71 5.722 10.126 16.406 1274 1HG LYS 71 2HG LYS 71 3.760 12.376 16.362 1275 2HG LYS 71 1HG LYS 71 4.442 11.821 17.889 1276 1HD LYS 71 2HD LYS 71 5.732 13.682 17.016 1277 2HD LYS 71 1HD LYS 71 6.702 12.211 17.008 1278 1HE LYS 71 2HE LYS 71 6.408 11.947 14.654 1279 2HE LYS 71 1HE LYS 71 5.218 13.248 14.600 1280 1HZ LYS 71 1HZ LYS 71 6.819 14.831 14.703 1281 2HZ LYS 71 2HZ LYS 71 7.741 13.617 13.969 1282 3HZ LYS 71 3HZ LYS 71 7.874 13.890 15.633 1283 H HIS 72 H HIS 72 2.762 9.081 13.259 1284 HA HIS 72 HA HIS 72 4.341 6.601 13.370 1285 1HB HIS 72 2HB HIS 72 1.325 6.867 13.360 1286 2HB HIS 72 1HB HIS 72 2.200 5.346 13.231 1287 HD1 HIS 72 1HD HIS 72 0.337 5.434 15.504 1288 HD2 HIS 72 2HD HIS 72 4.196 6.929 15.821 1289 HE1 HIS 72 1HE HIS 72 0.853 5.445 17.962 1290 HE2 HIS 72 2HE HIS 72 3.159 6.440 18.134 1291 H PHE 73 H PHE 73 5.251 7.751 11.416 1292 HA PHE 73 HA PHE 73 4.085 6.621 9.044 1293 1HB PHE 73 2HB PHE 73 2.768 8.650 9.153 1294 2HB PHE 73 1HB PHE 73 4.208 9.624 9.393 1295 HD1 PHE 73 1HD PHE 73 3.499 11.045 7.529 1296 HD2 PHE 73 2HD PHE 73 4.337 6.913 6.967 1297 HE1 PHE 73 1HE PHE 73 3.651 11.408 5.100 1298 HE2 PHE 73 2HE PHE 73 4.504 7.270 4.540 1299 HZ PHE 73 HZ PHE 73 4.158 9.520 3.604 1300 H ILE 74 H ILE 74 5.677 6.089 7.635 1301 HA ILE 74 HA ILE 74 8.122 7.626 7.494 1302 HB ILE 74 HB ILE 74 8.597 6.171 9.395 1303 1HG1 ILE 74 2HG1 ILE 74 10.066 5.326 6.884 1304 2HG1 ILE 74 1HG1 ILE 74 10.429 6.745 7.861 1305 1HG2 ILE 74 1HG2 ILE 74 8.837 3.661 8.812 1306 2HG2 ILE 74 2HG2 ILE 74 7.709 4.026 7.507 1307 3HG2 ILE 74 3HG2 ILE 74 7.238 4.307 9.184 1308 1HD1 ILE 74 1HD1 ILE 74 10.755 5.059 9.779 1309 2HD1 ILE 74 2HD1 ILE 74 12.008 5.206 8.547 1310 3HD1 ILE 74 3HD1 ILE 74 10.869 3.861 8.491 1311 H TYR 75 H TYR 75 9.235 7.339 5.613 1312 HA TYR 75 HA TYR 75 8.696 5.140 3.827 1313 1HB TYR 75 2HB TYR 75 6.776 6.553 3.322 1314 2HB TYR 75 1HB TYR 75 7.827 7.944 3.103 1315 HD1 TYR 75 1HD TYR 75 9.662 7.683 1.236 1316 HD2 TYR 75 2HD TYR 75 6.116 5.342 1.465 1317 HE1 TYR 75 1HE TYR 75 9.861 7.159 -1.156 1318 HE2 TYR 75 2HE TYR 75 6.307 4.813 -0.929 1319 HH TYR 75 HH TYR 75 7.464 6.055 -3.000 1320 H PHE 76 H PHE 76 10.426 4.767 2.549 1321 HA PHE 76 HA PHE 76 12.217 6.812 1.695 1322 1HB PHE 76 2HB PHE 76 14.190 6.038 2.973 1323 2HB PHE 76 1HB PHE 76 12.933 6.704 4.009 1324 HD1 PHE 76 1HD PHE 76 14.071 3.426 2.635 1325 HD2 PHE 76 2HD PHE 76 12.355 5.544 5.903 1326 HE1 PHE 76 1HE PHE 76 14.094 1.366 3.977 1327 HE2 PHE 76 2HE PHE 76 12.379 3.487 7.252 1328 HZ PHE 76 HZ PHE 76 13.248 1.395 6.289 1329 H TYR 77 H TYR 77 13.577 6.154 0.093 1330 HA TYR 77 HA TYR 77 13.084 3.536 -1.044 1331 1HB TYR 77 2HB TYR 77 14.712 5.900 -2.001 1332 2HB TYR 77 1HB TYR 77 14.541 4.398 -2.903 1333 HD1 TYR 77 1HD TYR 77 12.029 3.652 -3.310 1334 HD2 TYR 77 2HD TYR 77 13.272 7.636 -2.486 1335 HE1 TYR 77 1HE TYR 77 9.964 4.504 -4.340 1336 HE2 TYR 77 2HE TYR 77 11.209 8.497 -3.511 1337 HH TYR 77 HH TYR 77 9.510 7.810 -5.089 1338 H LEU 78 H LEU 78 14.744 2.001 -1.528 1339 HA LEU 78 HA LEU 78 17.394 2.419 -0.453 1340 1HB LEU 78 2HB LEU 78 16.171 1.762 1.546 1341 2HB LEU 78 1HB LEU 78 15.568 0.334 0.734 1342 HG LEU 78 HG LEU 78 17.796 -0.612 0.632 1343 1HD1 LEU 78 1HD1 LEU 78 19.361 0.979 2.281 1344 2HD1 LEU 78 2HD1 LEU 78 18.583 2.117 1.181 1345 3HD1 LEU 78 3HD1 LEU 78 19.529 0.776 0.538 1346 1HD2 LEU 78 1HD2 LEU 78 17.765 -1.353 2.759 1347 2HD2 LEU 78 2HD2 LEU 78 16.275 -0.416 2.853 1348 3HD2 LEU 78 3HD2 LEU 78 17.788 0.274 3.439 1349 H GLY 79 H GLY 79 18.866 1.339 -1.577 1350 1HA GLY 79 2HA GLY 79 19.849 -0.131 -3.034 1351 2HA GLY 79 1HA GLY 79 18.556 -1.256 -2.647 1352 H GLN 80 H GLN 80 16.383 -0.552 -3.624 1353 HA GLN 80 HA GLN 80 16.211 0.994 -5.908 1354 1HB GLN 80 2HB GLN 80 16.188 -0.717 -7.687 1355 2HB GLN 80 1HB GLN 80 17.772 -0.568 -6.942 1356 1HG GLN 80 2HG GLN 80 17.331 -2.560 -5.601 1357 2HG GLN 80 1HG GLN 80 15.742 -2.709 -6.350 1358 1HE2 GLN 80 1HE2 GLN 80 18.767 -3.893 -6.402 1359 2HE2 GLN 80 2HE2 GLN 80 18.853 -4.448 -8.036 1360 H VAL 81 H VAL 81 14.684 0.401 -3.640 1361 HA VAL 81 HA VAL 81 12.164 -0.257 -4.893 1362 HB VAL 81 HB VAL 81 11.543 -1.980 -3.253 1363 1HG1 VAL 81 1HG1 VAL 81 12.460 -2.570 -5.486 1364 2HG1 VAL 81 2HG1 VAL 81 12.732 -3.807 -4.260 1365 3HG1 VAL 81 3HG1 VAL 81 14.050 -2.740 -4.744 1366 1HG2 VAL 81 1HG2 VAL 81 14.160 -2.788 -2.411 1367 2HG2 VAL 81 2HG2 VAL 81 12.749 -2.383 -1.432 1368 3HG2 VAL 81 3HG2 VAL 81 13.871 -1.117 -1.928 1369 H ALA 82 H ALA 82 10.479 0.745 -3.937 1370 HA ALA 82 HA ALA 82 11.050 2.670 -1.885 1371 1HB ALA 82 1HB ALA 82 9.311 2.618 -3.963 1372 2HB ALA 82 2HB ALA 82 9.192 3.715 -2.588 1373 3HB ALA 82 3HB ALA 82 8.240 2.231 -2.615 1374 H ILE 83 H ILE 83 10.681 2.520 0.236 1375 HA ILE 83 HA ILE 83 9.185 0.175 1.209 1376 HB ILE 83 HB ILE 83 11.389 1.698 2.611 1377 1HG1 ILE 83 2HG1 ILE 83 11.351 -1.074 1.395 1378 2HG1 ILE 83 1HG1 ILE 83 12.201 0.322 0.742 1379 1HG2 ILE 83 1HG2 ILE 83 9.412 -0.262 3.528 1380 2HG2 ILE 83 2HG2 ILE 83 10.379 0.892 4.447 1381 3HG2 ILE 83 3HG2 ILE 83 11.078 -0.652 3.956 1382 1HD1 ILE 83 1HD1 ILE 83 13.319 -1.556 2.326 1383 2HD1 ILE 83 2HD1 ILE 83 12.868 -0.338 3.519 1384 3HD1 ILE 83 3HD1 ILE 83 13.914 0.097 2.165 1385 H LEU 84 H LEU 84 7.613 0.449 2.749 1386 HA LEU 84 HA LEU 84 7.127 3.141 3.781 1387 1HB LEU 84 2HB LEU 84 5.807 2.962 1.733 1388 2HB LEU 84 1HB LEU 84 5.074 1.481 2.318 1389 HG LEU 84 HG LEU 84 4.017 2.745 4.157 1390 1HD1 LEU 84 1HD1 LEU 84 4.548 4.844 4.670 1391 2HD1 LEU 84 2HD1 LEU 84 4.392 5.372 2.995 1392 3HD1 LEU 84 3HD1 LEU 84 5.910 4.677 3.563 1393 1HD2 LEU 84 1HD2 LEU 84 2.745 4.340 2.349 1394 2HD2 LEU 84 2HD2 LEU 84 2.401 2.630 2.610 1395 3HD2 LEU 84 3HD2 LEU 84 3.479 3.124 1.304 1396 H LEU 85 H LEU 85 6.146 3.213 5.759 1397 HA LEU 85 HA LEU 85 4.894 0.913 6.935 1398 1HB LEU 85 2HB LEU 85 7.251 0.325 7.230 1399 2HB LEU 85 1HB LEU 85 7.552 1.868 8.006 1400 HG LEU 85 HG LEU 85 6.053 1.220 9.857 1401 1HD1 LEU 85 1HD1 LEU 85 5.069 -0.648 8.093 1402 2HD1 LEU 85 2HD1 LEU 85 4.740 -0.581 9.824 1403 3HD1 LEU 85 3HD1 LEU 85 6.028 -1.617 9.209 1404 1HD2 LEU 85 1HD2 LEU 85 7.715 0.163 10.960 1405 2HD2 LEU 85 2HD2 LEU 85 8.625 0.534 9.495 1406 3HD2 LEU 85 3HD2 LEU 85 7.913 -1.066 9.709 1407 H PHE 86 H PHE 86 3.633 1.451 8.696 1408 HA PHE 86 HA PHE 86 3.927 3.711 10.308 1409 1HB PHE 86 2HB PHE 86 2.112 5.152 9.405 1410 2HB PHE 86 1HB PHE 86 3.508 5.044 8.343 1411 HD1 PHE 86 1HD PHE 86 0.174 3.463 8.885 1412 HD2 PHE 86 2HD PHE 86 3.189 4.621 6.115 1413 HE1 PHE 86 1HE PHE 86 -1.283 2.792 7.021 1414 HE2 PHE 86 2HE PHE 86 1.735 3.954 4.248 1415 HZ PHE 86 HZ PHE 86 -0.504 3.038 4.700 1416 H LYS 87 H LYS 87 2.609 3.567 12.034 1417 HA LYS 87 HA LYS 87 0.620 1.431 11.975 1418 1HB LYS 87 2HB LYS 87 0.735 1.460 14.407 1419 2HB LYS 87 1HB LYS 87 2.341 1.301 13.715 1420 1HG LYS 87 2HG LYS 87 2.835 3.597 14.160 1421 2HG LYS 87 1HG LYS 87 1.172 3.897 14.661 1422 1HD LYS 87 2HD LYS 87 3.097 2.036 16.047 1423 2HD LYS 87 1HD LYS 87 2.706 3.671 16.577 1424 1HE LYS 87 2HE LYS 87 0.354 3.003 16.828 1425 2HE LYS 87 1HE LYS 87 0.774 1.366 16.334 1426 1HZ LYS 87 1HZ LYS 87 2.046 2.680 18.660 1427 2HZ LYS 87 2HZ LYS 87 2.017 1.033 18.274 1428 3HZ LYS 87 3HZ LYS 87 0.606 1.802 18.801 1429 H SER 88 H SER 88 -1.284 1.773 13.487 1430 HA SER 88 HA SER 88 -2.278 4.512 13.539 1431 1HB SER 88 2HB SER 88 -3.001 3.637 11.350 1432 2HB SER 88 1HB SER 88 -3.750 2.255 12.153 1433 HG SER 88 HG SER 88 -4.454 4.976 12.561 1434 H GLY 89 H GLY 89 -3.468 4.893 15.300 1435 1HA GLY 89 2HA GLY 89 -3.629 3.046 17.397 1436 2HA GLY 89 1HA GLY 89 -4.534 4.550 17.305 1437 1H MET 1 1HT MET 1 -9.894 -10.163 12.207 1438 2H MET 1 2HT MET 1 -9.184 -8.661 11.777 1439 3H MET 1 3HT MET 1 -10.186 -8.774 13.167 1440 HA MET 1 HA MET 1 -7.809 -8.673 13.644 1441 1HB MET 1 2HB MET 1 -9.540 -9.660 15.142 1442 2HB MET 1 1HB MET 1 -9.233 -11.230 14.416 1443 1HG MET 1 2HG MET 1 -6.935 -11.165 15.236 1444 2HG MET 1 1HG MET 1 -7.234 -9.582 15.950 1445 1HE MET 1 1HE MET 1 -6.982 -11.467 19.180 1446 2HE MET 1 2HE MET 1 -6.109 -10.647 17.886 1447 3HE MET 1 3HE MET 1 -6.272 -12.403 17.866 1448 H LYS 2 H LYS 2 -7.352 -9.242 11.068 1449 HA LYS 2 HA LYS 2 -5.339 -11.300 11.236 1450 1HB LYS 2 2HB LYS 2 -7.650 -11.543 9.308 1451 2HB LYS 2 1HB LYS 2 -6.151 -12.447 9.151 1452 1HG LYS 2 2HG LYS 2 -8.036 -12.589 11.495 1453 2HG LYS 2 1HG LYS 2 -7.930 -13.767 10.187 1454 1HD LYS 2 2HD LYS 2 -5.700 -13.057 12.092 1455 2HD LYS 2 1HD LYS 2 -6.706 -14.503 12.185 1456 1HE LYS 2 2HE LYS 2 -5.896 -15.198 9.979 1457 2HE LYS 2 1HE LYS 2 -4.881 -13.757 9.901 1458 1HZ LYS 2 1HZ LYS 2 -3.704 -15.804 10.616 1459 2HZ LYS 2 2HZ LYS 2 -4.650 -15.823 12.017 1460 3HZ LYS 2 3HZ LYS 2 -3.596 -14.533 11.727 1461 H ASP 3 H ASP 3 -3.628 -10.864 10.058 1462 HA ASP 3 HA ASP 3 -3.544 -8.392 8.613 1463 1HB ASP 3 2HB ASP 3 -1.133 -8.921 8.354 1464 2HB ASP 3 1HB ASP 3 -1.676 -8.995 10.028 1465 H THR 4 H THR 4 -3.672 -8.073 6.490 1466 HA THR 4 HA THR 4 -4.163 -10.298 4.734 1467 HB THR 4 HB THR 4 -5.372 -8.156 4.498 1468 HG1 THR 4 1HG THR 4 -3.716 -8.677 2.259 1469 1HG2 THR 4 1HG2 THR 4 -4.442 -6.152 3.938 1470 2HG2 THR 4 2HG2 THR 4 -2.993 -6.888 3.253 1471 3HG2 THR 4 3HG2 THR 4 -3.195 -6.801 5.003 1472 H GLY 5 H GLY 5 -2.778 -11.177 3.258 1473 1HA GLY 5 2HA GLY 5 -0.132 -9.902 2.974 1474 2HA GLY 5 1HA GLY 5 -0.262 -11.617 3.338 1475 H ILE 6 H ILE 6 0.291 -9.498 0.922 1476 HA ILE 6 HA ILE 6 -0.105 -11.497 -1.100 1477 HB ILE 6 HB ILE 6 -1.499 -10.143 -2.589 1478 1HG1 ILE 6 2HG1 ILE 6 -2.836 -8.260 -1.372 1479 2HG1 ILE 6 1HG1 ILE 6 -1.460 -8.236 -0.274 1480 1HG2 ILE 6 1HG2 ILE 6 -2.880 -10.548 0.057 1481 2HG2 ILE 6 2HG2 ILE 6 -2.513 -11.838 -1.088 1482 3HG2 ILE 6 3HG2 ILE 6 -3.620 -10.542 -1.543 1483 1HD1 ILE 6 1HD1 ILE 6 -0.185 -7.143 -1.737 1484 2HD1 ILE 6 2HD1 ILE 6 -1.689 -6.802 -2.587 1485 3HD1 ILE 6 3HD1 ILE 6 -0.689 -8.167 -3.079 1486 H GLN 7 H GLN 7 1.183 -11.190 -2.865 1487 HA GLN 7 HA GLN 7 2.837 -8.756 -2.834 1488 1HB GLN 7 2HB GLN 7 4.622 -10.128 -3.867 1489 2HB GLN 7 1HB GLN 7 4.167 -10.699 -2.268 1490 1HG GLN 7 2HG GLN 7 2.792 -12.451 -3.304 1491 2HG GLN 7 1HG GLN 7 3.309 -11.892 -4.894 1492 1HE2 GLN 7 1HE2 GLN 7 3.828 -14.173 -2.642 1493 2HE2 GLN 7 2HE2 GLN 7 5.472 -14.578 -2.987 1494 H VAL 8 H VAL 8 2.295 -7.432 -4.436 1495 HA VAL 8 HA VAL 8 1.050 -8.489 -6.842 1496 HB VAL 8 HB VAL 8 1.616 -5.605 -6.143 1497 1HG1 VAL 8 1HG1 VAL 8 0.248 -6.972 -8.380 1498 2HG1 VAL 8 2HG1 VAL 8 1.144 -5.454 -8.353 1499 3HG1 VAL 8 3HG1 VAL 8 -0.511 -5.510 -7.749 1500 1HG2 VAL 8 1HG2 VAL 8 -0.610 -7.434 -5.395 1501 2HG2 VAL 8 2HG2 VAL 8 -0.981 -5.745 -5.738 1502 3HG2 VAL 8 3HG2 VAL 8 0.162 -6.154 -4.460 1503 H ASP 9 H ASP 9 3.655 -9.331 -6.667 1504 HA ASP 9 HA ASP 9 5.327 -7.566 -8.248 1505 1HB ASP 9 1HB ASP 9 5.839 -10.374 -7.236 1506 2HB ASP 9 2HB ASP 9 6.318 -8.888 -6.422 1507 H ARG 10 H ARG 10 3.100 -8.121 -9.693 1508 HA ARG 10 HA ARG 10 3.242 -10.406 -11.333 1509 1HB ARG 10 2HB ARG 10 2.016 -7.726 -12.008 1510 2HB ARG 10 1HB ARG 10 1.640 -9.273 -12.755 1511 1HG ARG 10 2HG ARG 10 0.733 -10.091 -10.655 1512 2HG ARG 10 1HG ARG 10 1.132 -8.558 -9.878 1513 1HD ARG 10 2HD ARG 10 -1.230 -8.652 -10.502 1514 2HD ARG 10 1HD ARG 10 -0.380 -7.383 -11.381 1515 HE ARG 10 HE ARG 10 -0.977 -8.435 -13.304 1516 1HH1 ARG 10 1HH1 ARG 10 -1.005 -10.805 -10.739 1517 2HH1 ARG 10 2HH1 ARG 10 -1.522 -12.095 -11.771 1518 1HH2 ARG 10 1HH2 ARG 10 -1.668 -10.130 -14.655 1519 2HH2 ARG 10 2HH2 ARG 10 -1.902 -11.712 -13.992 1520 H ASP 11 H ASP 11 4.209 -10.792 -13.278 1521 HA ASP 11 HA ASP 11 6.489 -9.176 -13.934 1522 1HB ASP 11 2HB ASP 11 5.371 -11.632 -15.292 1523 2HB ASP 11 1HB ASP 11 6.933 -10.899 -15.642 1524 H LEU 12 H LEU 12 4.298 -7.562 -14.328 1525 HA LEU 12 HA LEU 12 3.572 -7.594 -17.125 1526 1HB LEU 12 2HB LEU 12 2.909 -5.792 -14.816 1527 2HB LEU 12 1HB LEU 12 2.500 -5.344 -16.460 1528 HG LEU 12 HG LEU 12 1.065 -7.272 -16.696 1529 1HD1 LEU 12 1HD1 LEU 12 0.694 -8.532 -14.392 1530 2HD1 LEU 12 2HD1 LEU 12 2.389 -8.094 -14.176 1531 3HD1 LEU 12 3HD1 LEU 12 1.899 -9.057 -15.569 1532 1HD2 LEU 12 1HD2 LEU 12 0.709 -5.346 -14.504 1533 2HD2 LEU 12 2HD2 LEU 12 -0.321 -6.775 -14.421 1534 3HD2 LEU 12 3HD2 LEU 12 -0.355 -5.747 -15.853 1535 H ASP 13 H ASP 13 6.189 -7.506 -17.222 1536 HA ASP 13 HA ASP 13 7.529 -5.087 -16.997 1537 1HB ASP 13 2HB ASP 13 7.945 -7.292 -19.027 1538 2HB ASP 13 1HB ASP 13 9.099 -6.005 -18.684 1539 H GLY 14 H GLY 14 7.592 -3.245 -18.151 1540 1HA GLY 14 2HA GLY 14 6.987 -1.655 -19.695 1541 2HA GLY 14 1HA GLY 14 7.084 -2.952 -20.876 1542 H LYS 15 H LYS 15 5.312 -2.655 -22.104 1543 HA LYS 15 HA LYS 15 2.817 -1.755 -21.115 1544 1HB LYS 15 2HB LYS 15 3.454 -3.221 -23.681 1545 2HB LYS 15 1HB LYS 15 1.946 -2.386 -23.335 1546 1HG LYS 15 2HG LYS 15 3.155 -0.268 -23.174 1547 2HG LYS 15 1HG LYS 15 4.666 -1.109 -23.529 1548 1HD LYS 15 2HD LYS 15 2.262 -0.950 -25.349 1549 2HD LYS 15 1HD LYS 15 3.750 -0.017 -25.523 1550 1HE LYS 15 2HE LYS 15 5.012 -2.098 -25.806 1551 2HE LYS 15 1HE LYS 15 3.521 -3.023 -25.642 1552 1HZ LYS 15 1HZ LYS 15 3.710 -0.939 -27.708 1553 2HZ LYS 15 2HZ LYS 15 2.769 -2.347 -27.687 1554 3HZ LYS 15 3HZ LYS 15 4.432 -2.445 -27.981 1555 H SER 16 H SER 16 3.969 -4.973 -22.098 1556 HA SER 16 HA SER 16 2.656 -6.385 -20.094 1557 1HB SER 16 2HB SER 16 0.794 -7.428 -21.357 1558 2HB SER 16 1HB SER 16 0.564 -5.694 -21.151 1559 HG SER 16 HG SER 16 1.473 -5.478 -23.301 1560 H HIS 17 H HIS 17 3.434 -8.425 -20.027 1561 HA HIS 17 HA HIS 17 4.224 -9.848 -22.397 1562 1HB HIS 17 2HB HIS 17 6.344 -8.909 -20.454 1563 2HB HIS 17 1HB HIS 17 6.602 -10.106 -21.717 1564 HD1 HIS 17 1HD HIS 17 5.716 -8.989 -24.214 1565 HD2 HIS 17 2HD HIS 17 7.260 -6.512 -21.258 1566 HE1 HIS 17 1HE HIS 17 6.458 -6.902 -25.406 1567 HE2 HIS 17 2HE HIS 17 7.309 -5.383 -23.584 1568 H LYS 18 H LYS 18 4.755 -9.680 -18.877 1569 HA LYS 18 HA LYS 18 4.801 -11.313 -17.277 1570 1HB LYS 18 2HB LYS 18 2.752 -12.652 -17.160 1571 2HB LYS 18 1HB LYS 18 2.404 -10.974 -17.545 1572 1HG LYS 18 2HG LYS 18 2.084 -11.548 -19.880 1573 2HG LYS 18 1HG LYS 18 2.504 -13.229 -19.540 1574 1HD LYS 18 2HD LYS 18 0.570 -13.405 -18.048 1575 2HD LYS 18 1HD LYS 18 0.156 -11.723 -18.385 1576 1HE LYS 18 2HE LYS 18 -0.148 -12.277 -20.751 1577 2HE LYS 18 1HE LYS 18 0.264 -13.957 -20.410 1578 1HZ LYS 18 1HZ LYS 18 -2.038 -13.944 -20.412 1579 2HZ LYS 18 2HZ LYS 18 -2.148 -12.455 -19.618 1580 3HZ LYS 18 3HZ LYS 18 -1.674 -13.835 -18.761 1581 1H MET 1 1HT MET 1 -3.515 14.075 13.081 1582 2H MET 1 2HT MET 1 -2.037 13.229 13.287 1583 3H MET 1 3HT MET 1 -3.415 12.789 14.209 1584 HA MET 1 HA MET 1 -2.907 11.289 12.368 1585 1HB MET 1 2HB MET 1 -5.260 11.195 11.627 1586 2HB MET 1 1HB MET 1 -5.125 11.432 13.364 1587 1HG MET 1 2HG MET 1 -5.566 13.816 13.073 1588 2HG MET 1 1HG MET 1 -5.708 13.576 11.332 1589 1HE MET 1 1HE MET 1 -7.748 10.933 14.056 1590 2HE MET 1 2HE MET 1 -8.407 12.429 14.719 1591 3HE MET 1 3HE MET 1 -6.660 12.202 14.621 1592 H LYS 2 H LYS 2 -2.492 10.998 10.239 1593 HA LYS 2 HA LYS 2 -3.152 12.981 8.265 1594 1HB LYS 2 2HB LYS 2 -0.252 12.462 8.943 1595 2HB LYS 2 1HB LYS 2 -0.812 13.355 7.537 1596 1HG LYS 2 2HG LYS 2 -1.831 15.024 9.021 1597 2HG LYS 2 1HG LYS 2 -1.214 14.137 10.417 1598 1HD LYS 2 2HD LYS 2 1.074 14.486 9.636 1599 2HD LYS 2 1HD LYS 2 0.466 15.353 8.223 1600 1HE LYS 2 2HE LYS 2 -0.519 17.045 9.688 1601 2HE LYS 2 1HE LYS 2 0.084 16.178 11.100 1602 1HZ LYS 2 1HZ LYS 2 1.950 17.052 8.996 1603 2HZ LYS 2 2HZ LYS 2 2.254 16.751 10.632 1604 3HZ LYS 2 3HZ LYS 2 1.426 18.151 10.172 1605 H ASP 3 H ASP 3 -3.088 12.207 6.191 1606 HA ASP 3 HA ASP 3 -2.763 9.325 6.019 1607 1HB ASP 3 2HB ASP 3 -3.973 9.551 3.856 1608 2HB ASP 3 1HB ASP 3 -4.879 10.162 5.236 1609 H THR 4 H THR 4 -1.174 8.338 5.017 1610 HA THR 4 HA THR 4 0.986 9.793 3.857 1611 HB THR 4 HB THR 4 0.359 6.868 4.087 1612 HG1 THR 4 1HG THR 4 1.879 8.688 5.561 1613 1HG2 THR 4 1HG2 THR 4 2.858 6.593 3.656 1614 2HG2 THR 4 2HG2 THR 4 2.770 8.187 2.906 1615 3HG2 THR 4 3HG2 THR 4 1.808 6.857 2.264 1616 H GLY 5 H GLY 5 1.655 9.800 1.674 1617 1HA GLY 5 2HA GLY 5 0.000 8.487 -0.311 1618 2HA GLY 5 1HA GLY 5 -0.124 10.238 -0.298 1619 H ILE 6 H ILE 6 1.208 7.875 -1.959 1620 HA ILE 6 HA ILE 6 3.253 9.548 -3.071 1621 HB ILE 6 HB ILE 6 5.094 7.897 -2.782 1622 1HG1 ILE 6 2HG1 ILE 6 4.785 6.402 -0.689 1623 2HG1 ILE 6 1HG1 ILE 6 3.062 6.613 -0.980 1624 1HG2 ILE 6 1HG2 ILE 6 5.795 8.703 -0.685 1625 2HG2 ILE 6 2HG2 ILE 6 4.137 8.886 -0.113 1626 3HG2 ILE 6 3HG2 ILE 6 4.764 9.963 -1.362 1627 1HD1 ILE 6 1HD1 ILE 6 3.083 5.071 -2.566 1628 2HD1 ILE 6 2HD1 ILE 6 4.745 4.709 -2.103 1629 3HD1 ILE 6 3HD1 ILE 6 4.421 5.861 -3.399 1630 H GLN 7 H GLN 7 3.671 9.047 -5.155 1631 HA GLN 7 HA GLN 7 2.273 6.709 -6.247 1632 1HB GLN 7 2HB GLN 7 2.441 7.920 -8.428 1633 2HB GLN 7 1HB GLN 7 1.491 8.759 -7.210 1634 1HG GLN 7 2HG GLN 7 3.401 10.213 -6.730 1635 2HG GLN 7 1HG GLN 7 4.338 9.381 -7.968 1636 1HE2 GLN 7 1HE2 GLN 7 2.628 12.076 -7.374 1637 2HE2 GLN 7 2HE2 GLN 7 2.120 12.479 -8.975 1638 H VAL 8 H VAL 8 3.988 5.239 -5.691 1639 HA VAL 8 HA VAL 8 6.642 5.628 -6.641 1640 HB VAL 8 HB VAL 8 5.275 3.056 -5.832 1641 1HG1 VAL 8 1HG1 VAL 8 8.216 3.681 -6.054 1642 2HG1 VAL 8 2HG1 VAL 8 7.294 2.704 -7.196 1643 3HG1 VAL 8 3HG1 VAL 8 7.504 2.153 -5.534 1644 1HG2 VAL 8 1HG2 VAL 8 5.385 3.802 -3.747 1645 2HG2 VAL 8 2HG2 VAL 8 6.106 5.314 -4.300 1646 3HG2 VAL 8 3HG2 VAL 8 7.137 3.940 -3.900 1647 H ASP 9 H ASP 9 7.576 5.108 -8.524 1648 HA ASP 9 HA ASP 9 6.409 3.241 -10.379 1649 1HB ASP 9 2HB ASP 9 6.531 6.181 -11.095 1650 2HB ASP 9 1HB ASP 9 6.184 4.878 -12.228 1651 H ARG 10 H ARG 10 8.838 3.231 -9.063 1652 HA ARG 10 HA ARG 10 11.067 2.937 -9.406 1653 1HB ARG 10 2HB ARG 10 10.165 1.596 -11.328 1654 2HB ARG 10 1HB ARG 10 10.368 3.015 -12.346 1655 1HG ARG 10 2HG ARG 10 12.212 1.488 -12.651 1656 2HG ARG 10 1HG ARG 10 12.780 2.980 -11.900 1657 1HD ARG 10 2HD ARG 10 12.729 1.887 -9.706 1658 2HD ARG 10 1HD ARG 10 12.175 0.396 -10.466 1659 HE ARG 10 HE ARG 10 14.846 1.306 -10.285 1660 1HH1 ARG 10 1HH1 ARG 10 12.652 -0.361 -12.429 1661 2HH1 ARG 10 2HH1 ARG 10 13.913 -1.189 -13.278 1662 1HH2 ARG 10 1HH2 ARG 10 16.504 0.213 -11.399 1663 2HH2 ARG 10 2HH2 ARG 10 16.099 -0.865 -12.692 1664 H ASP 11 H ASP 11 10.280 5.527 -8.920 1665 HA ASP 11 HA ASP 11 11.528 7.296 -10.837 1666 1HB ASP 11 2HB ASP 11 10.354 7.865 -8.109 1667 2HB ASP 11 1HB ASP 11 10.877 9.083 -9.268 1668 H LEU 12 H LEU 12 13.443 5.542 -10.049 1669 HA LEU 12 HA LEU 12 14.984 6.692 -7.883 1670 1HB LEU 12 2HB LEU 12 15.559 4.396 -9.754 1671 2HB LEU 12 1HB LEU 12 16.624 4.900 -8.457 1672 HG LEU 12 HG LEU 12 14.862 4.367 -6.814 1673 1HD1 LEU 12 1HD1 LEU 12 12.821 4.606 -7.864 1674 2HD1 LEU 12 2HD1 LEU 12 12.998 2.851 -7.795 1675 3HD1 LEU 12 3HD1 LEU 12 13.334 3.715 -9.295 1676 1HD2 LEU 12 1HD2 LEU 12 16.411 2.646 -7.092 1677 2HD2 LEU 12 2HD2 LEU 12 15.827 2.254 -8.709 1678 3HD2 LEU 12 3HD2 LEU 12 14.854 1.845 -7.297 1679 H ASP 13 H ASP 13 14.637 8.606 -9.800 1680 HA ASP 13 HA ASP 13 17.255 9.437 -10.335 1681 1HB ASP 13 2HB ASP 13 17.230 7.674 -12.043 1682 2HB ASP 13 1HB ASP 13 15.783 8.378 -12.758 1683 H GLY 14 H GLY 14 17.186 11.581 -10.413 1684 1HA GLY 14 2HA GLY 14 14.625 12.904 -10.778 1685 2HA GLY 14 1HA GLY 14 16.120 13.651 -10.235 1686 H LYS 15 H LYS 15 15.186 11.868 -13.189 1687 HA LYS 15 HA LYS 15 15.283 14.162 -14.851 1688 1HB LYS 15 2HB LYS 15 17.685 14.011 -14.395 1689 2HB LYS 15 1HB LYS 15 17.694 12.342 -14.949 1690 1HG LYS 15 2HG LYS 15 18.574 13.836 -16.648 1691 2HG LYS 15 1HG LYS 15 17.079 13.072 -17.192 1692 1HD LYS 15 2HD LYS 15 17.113 15.441 -17.777 1693 2HD LYS 15 1HD LYS 15 15.833 15.096 -16.613 1694 1HE LYS 15 2HE LYS 15 17.259 15.912 -14.801 1695 2HE LYS 15 1HE LYS 15 18.544 16.247 -15.960 1696 1HZ LYS 15 1HZ LYS 15 16.117 17.735 -15.405 1697 2HZ LYS 15 2HZ LYS 15 16.522 17.602 -17.042 1698 3HZ LYS 15 3HZ LYS 15 17.622 18.281 -15.951 1699 H SER 16 H SER 16 15.681 10.651 -14.656 1700 HA SER 16 HA SER 16 13.559 10.204 -16.499 1701 1HB SER 16 2HB SER 16 14.883 9.094 -18.272 1702 2HB SER 16 1HB SER 16 15.259 10.812 -18.145 1703 HG SER 16 HG SER 16 17.044 10.053 -16.723 1704 H HIS 17 H HIS 17 12.784 8.144 -16.371 1705 HA HIS 17 HA HIS 17 13.386 6.574 -14.169 1706 1HB HIS 17 2HB HIS 17 12.130 5.662 -16.766 1707 2HB HIS 17 1HB HIS 17 12.011 4.837 -15.216 1708 HD1 HIS 17 1HD HIS 17 11.014 6.696 -13.268 1709 HD2 HIS 17 2HD HIS 17 9.883 7.058 -17.249 1710 HE1 HIS 17 1HE HIS 17 8.886 8.035 -13.243 1711 HE2 HIS 17 2HE HIS 17 8.179 8.175 -15.657 1712 H LYS 18 H LYS 18 14.756 4.922 -13.752 1713 HA LYS 18 HA LYS 18 17.060 4.576 -15.317 1714 1HB LYS 18 2HB LYS 18 17.048 4.199 -12.911 1715 2HB LYS 18 1HB LYS 18 15.913 2.875 -13.100 1716 1HG LYS 18 2HG LYS 18 18.166 2.067 -12.725 1717 2HG LYS 18 1HG LYS 18 17.561 1.592 -14.309 1718 1HD LYS 18 2HD LYS 18 19.817 2.284 -14.607 1719 2HD LYS 18 1HD LYS 18 18.795 3.560 -15.265 1720 1HE LYS 18 2HE LYS 18 19.963 3.610 -12.487 1721 2HE LYS 18 1HE LYS 18 20.738 4.348 -13.887 1722 1HZ LYS 18 1HZ LYS 18 18.534 5.290 -12.306 1723 2HZ LYS 18 2HZ LYS 18 18.226 5.355 -13.967 1724 3HZ LYS 18 3HZ LYS 18 19.575 6.145 -13.328 Start of MODEL 6 1 1H MET 1 1HT MET 1 -20.303 4.484 -21.827 2 2H MET 1 2HT MET 1 -19.341 4.275 -20.422 3 3H MET 1 3HT MET 1 -21.050 4.172 -20.317 4 HA MET 1 HA MET 1 -19.999 2.025 -20.240 5 1HB MET 1 2HB MET 1 -21.423 1.029 -21.987 6 2HB MET 1 1HB MET 1 -22.266 2.292 -21.101 7 1HG MET 1 2HG MET 1 -21.849 3.855 -22.928 8 2HG MET 1 1HG MET 1 -21.000 2.590 -23.816 9 1HE MET 1 1HE MET 1 -24.481 3.755 -22.365 10 2HE MET 1 2HE MET 1 -24.202 2.192 -21.596 11 3HE MET 1 3HE MET 1 -25.494 2.373 -22.783 12 H CYS 2 H CYS 2 -18.451 0.670 -20.949 13 HA CYS 2 HA CYS 2 -17.457 0.503 -23.561 14 1HB CYS 2 2HB CYS 2 -16.538 2.734 -23.124 15 2HB CYS 2 1HB CYS 2 -15.726 2.130 -21.685 16 HG CYS 2 HG CYS 2 -14.694 0.546 -23.948 17 H ASP 3 H ASP 3 -16.517 0.301 -20.145 18 HA ASP 3 HA ASP 3 -16.238 -2.482 -20.137 19 1HB ASP 3 2HB ASP 3 -13.786 -2.709 -19.992 20 2HB ASP 3 1HB ASP 3 -14.294 -2.110 -21.568 21 H ARG 4 H ARG 4 -16.254 -3.177 -18.077 22 HA ARG 4 HA ARG 4 -14.909 -1.993 -15.921 23 1HB ARG 4 2HB ARG 4 -16.571 -0.179 -16.335 24 2HB ARG 4 1HB ARG 4 -17.859 -1.329 -16.020 25 1HG ARG 4 2HG ARG 4 -15.734 -0.724 -13.992 26 2HG ARG 4 1HG ARG 4 -17.201 0.242 -14.137 27 1HD ARG 4 2HD ARG 4 -16.991 -2.692 -13.475 28 2HD ARG 4 1HD ARG 4 -17.540 -1.394 -12.424 29 HE ARG 4 HE ARG 4 -19.111 -2.830 -14.284 30 1HH1 ARG 4 1HH1 ARG 4 -18.675 0.362 -12.938 31 2HH1 ARG 4 2HH1 ARG 4 -20.299 0.858 -13.270 32 1HH2 ARG 4 1HH2 ARG 4 -21.248 -2.178 -14.715 33 2HH2 ARG 4 2HH2 ARG 4 -21.761 -0.583 -14.275 34 H LYS 5 H LYS 5 -14.748 -3.497 -14.376 35 HA LYS 5 HA LYS 5 -16.836 -5.131 -13.463 36 1HB LYS 5 2HB LYS 5 -16.643 -6.212 -15.646 37 2HB LYS 5 1HB LYS 5 -14.928 -6.483 -15.376 38 1HG LYS 5 2HG LYS 5 -16.190 -8.516 -15.002 39 2HG LYS 5 1HG LYS 5 -15.454 -7.956 -13.499 40 1HD LYS 5 2HD LYS 5 -17.587 -6.969 -12.821 41 2HD LYS 5 1HD LYS 5 -18.323 -7.522 -14.327 42 1HE LYS 5 2HE LYS 5 -17.139 -9.278 -12.179 43 2HE LYS 5 1HE LYS 5 -18.860 -9.018 -12.472 44 1HZ LYS 5 1HZ LYS 5 -16.946 -10.265 -14.371 45 2HZ LYS 5 2HZ LYS 5 -18.590 -10.004 -14.667 46 3HZ LYS 5 3HZ LYS 5 -18.111 -11.085 -13.457 47 H ALA 6 H ALA 6 -13.351 -5.219 -14.100 48 HA ALA 6 HA ALA 6 -11.550 -5.564 -12.751 49 1HB ALA 6 1HB ALA 6 -11.613 -4.699 -10.527 50 2HB ALA 6 2HB ALA 6 -13.372 -4.828 -10.468 51 3HB ALA 6 3HB ALA 6 -12.610 -3.650 -11.537 52 H VAL 7 H VAL 7 -10.651 -7.441 -12.118 53 HA VAL 7 HA VAL 7 -12.392 -9.612 -11.345 54 HB VAL 7 HB VAL 7 -10.391 -11.000 -11.513 55 1HG1 VAL 7 1HG1 VAL 7 -9.904 -10.292 -14.022 56 2HG1 VAL 7 2HG1 VAL 7 -11.314 -9.272 -13.736 57 3HG1 VAL 7 3HG1 VAL 7 -11.436 -11.021 -13.539 58 1HG2 VAL 7 1HG2 VAL 7 -8.951 -8.497 -12.363 59 2HG2 VAL 7 2HG2 VAL 7 -8.276 -10.122 -12.245 60 3HG2 VAL 7 3HG2 VAL 7 -8.772 -9.267 -10.786 61 H ILE 8 H ILE 8 -12.477 -10.608 -9.431 62 HA ILE 8 HA ILE 8 -11.339 -9.256 -7.141 63 HB ILE 8 HB ILE 8 -13.200 -11.623 -7.363 64 1HG1 ILE 8 2HG1 ILE 8 -14.829 -10.060 -6.362 65 2HG1 ILE 8 1HG1 ILE 8 -13.607 -8.795 -6.362 66 1HG2 ILE 8 1HG2 ILE 8 -12.046 -12.093 -5.388 67 2HG2 ILE 8 2HG2 ILE 8 -13.474 -11.214 -4.844 68 3HG2 ILE 8 3HG2 ILE 8 -11.917 -10.391 -4.948 69 1HD1 ILE 8 1HD1 ILE 8 -15.325 -8.753 -8.218 70 2HD1 ILE 8 2HD1 ILE 8 -14.489 -10.157 -8.881 71 3HD1 ILE 8 3HD1 ILE 8 -13.632 -8.626 -8.697 72 H LYS 9 H LYS 9 -9.994 -10.226 -5.573 73 HA LYS 9 HA LYS 9 -8.698 -12.744 -6.310 74 1HB LYS 9 2HB LYS 9 -7.221 -10.164 -5.769 75 2HB LYS 9 1HB LYS 9 -6.459 -11.744 -5.896 76 1HG LYS 9 2HG LYS 9 -8.009 -10.377 -8.087 77 2HG LYS 9 1HG LYS 9 -6.251 -10.438 -7.956 78 1HD LYS 9 2HD LYS 9 -8.075 -12.827 -8.221 79 2HD LYS 9 1HD LYS 9 -7.116 -12.120 -9.523 80 1HE LYS 9 2HE LYS 9 -6.038 -13.341 -6.983 81 2HE LYS 9 1HE LYS 9 -6.016 -14.085 -8.580 82 1HZ LYS 9 1HZ LYS 9 -3.928 -13.186 -8.455 83 2HZ LYS 9 2HZ LYS 9 -4.423 -11.839 -7.560 84 3HZ LYS 9 3HZ LYS 9 -4.759 -11.921 -9.216 85 H ASN 10 H ASN 10 -8.969 -10.146 -3.895 86 HA ASN 10 HA ASN 10 -8.681 -12.206 -1.810 87 1HB ASN 10 2HB ASN 10 -6.687 -10.672 -2.035 88 2HB ASN 10 1HB ASN 10 -7.741 -9.348 -1.552 89 1HD2 ASN 10 1HD2 ASN 10 -5.527 -11.467 -0.477 90 2HD2 ASN 10 2HD2 ASN 10 -5.952 -11.533 1.198 91 H ALA 11 H ALA 11 -11.162 -11.737 -2.679 92 HA ALA 11 HA ALA 11 -12.562 -9.591 -1.535 93 1HB ALA 11 1HB ALA 11 -13.258 -12.182 -2.740 94 2HB ALA 11 2HB ALA 11 -13.943 -10.581 -3.013 95 3HB ALA 11 3HB ALA 11 -14.450 -11.528 -1.616 96 H ASP 12 H ASP 12 -13.556 -9.295 0.425 97 HA ASP 12 HA ASP 12 -13.951 -11.328 2.348 98 1HB ASP 12 2HB ASP 12 -11.506 -11.256 2.512 99 2HB ASP 12 1HB ASP 12 -11.568 -9.525 2.825 100 H MET 13 H MET 13 -15.781 -9.639 1.567 101 HA MET 13 HA MET 13 -16.533 -8.264 3.913 102 1HB MET 13 2HB MET 13 -16.495 -5.958 3.094 103 2HB MET 13 1HB MET 13 -14.875 -6.633 3.181 104 1HG MET 13 2HG MET 13 -15.020 -7.096 0.734 105 2HG MET 13 1HG MET 13 -16.545 -6.212 0.718 106 1HE MET 13 1HE MET 13 -16.666 -4.107 2.180 107 2HE MET 13 2HE MET 13 -15.805 -2.717 1.520 108 3HE MET 13 3HE MET 13 -15.218 -3.504 2.983 109 H SER 14 H SER 14 -18.510 -6.819 3.470 110 HA SER 14 HA SER 14 -20.564 -8.313 2.460 111 1HB SER 14 2HB SER 14 -20.406 -5.295 2.588 112 2HB SER 14 1HB SER 14 -21.893 -6.227 2.416 113 HG SER 14 HG SER 14 -20.138 -6.080 4.620 114 H GLU 15 H GLU 15 -21.682 -8.490 0.565 115 HA GLU 15 HA GLU 15 -20.302 -8.321 -1.841 116 1HB GLU 15 2HB GLU 15 -23.287 -8.409 -1.400 117 2HB GLU 15 1HB GLU 15 -22.473 -8.760 -2.920 118 1HG GLU 15 2HG GLU 15 -21.340 -10.656 -1.879 119 2HG GLU 15 1HG GLU 15 -22.153 -10.303 -0.354 120 H GLU 16 H GLU 16 -22.739 -6.131 -0.509 121 HA GLU 16 HA GLU 16 -22.883 -4.405 -2.715 122 1HB GLU 16 2HB GLU 16 -23.856 -2.776 -1.148 123 2HB GLU 16 1HB GLU 16 -24.556 -4.377 -0.945 124 1HG GLU 16 2HG GLU 16 -23.133 -4.754 1.002 125 2HG GLU 16 1HG GLU 16 -22.430 -3.152 0.797 126 H MET 17 H MET 17 -20.813 -4.317 0.163 127 HA MET 17 HA MET 17 -19.609 -1.848 -0.316 128 1HB MET 17 2HB MET 17 -18.473 -4.297 1.032 129 2HB MET 17 1HB MET 17 -17.745 -2.698 1.092 130 1HG MET 17 2HG MET 17 -19.705 -1.824 2.222 131 2HG MET 17 1HG MET 17 -20.480 -3.404 2.128 132 1HE MET 17 1HE MET 17 -20.962 -2.794 4.480 133 2HE MET 17 2HE MET 17 -19.745 -1.788 5.265 134 3HE MET 17 3HE MET 17 -19.999 -3.447 5.804 135 H GLN 18 H GLN 18 -18.485 -5.089 -1.256 136 HA GLN 18 HA GLN 18 -16.180 -4.252 -2.591 137 1HB GLN 18 2HB GLN 18 -16.414 -6.424 -3.874 138 2HB GLN 18 1HB GLN 18 -16.337 -6.547 -2.123 139 1HG GLN 18 2HG GLN 18 -18.802 -6.749 -2.082 140 2HG GLN 18 1HG GLN 18 -18.794 -6.748 -3.845 141 1HE2 GLN 18 1HE2 GLN 18 -18.540 -8.604 -1.053 142 2HE2 GLN 18 2HE2 GLN 18 -18.068 -10.094 -1.781 143 H GLN 19 H GLN 19 -19.501 -4.511 -3.748 144 HA GLN 19 HA GLN 19 -18.911 -4.045 -6.477 145 1HB GLN 19 2HB GLN 19 -21.434 -3.552 -4.890 146 2HB GLN 19 1HB GLN 19 -21.327 -3.390 -6.638 147 1HG GLN 19 2HG GLN 19 -20.819 -5.914 -5.081 148 2HG GLN 19 1HG GLN 19 -22.293 -5.530 -5.967 149 1HE2 GLN 19 1HE2 GLN 19 -19.534 -7.244 -6.110 150 2HE2 GLN 19 2HE2 GLN 19 -19.328 -7.353 -7.822 151 H ASP 20 H ASP 20 -19.791 -1.884 -3.821 152 HA ASP 20 HA ASP 20 -19.879 0.489 -5.339 153 1HB ASP 20 2HB ASP 20 -19.263 0.113 -2.399 154 2HB ASP 20 1HB ASP 20 -19.650 1.652 -3.164 155 H SER 21 H SER 21 -17.242 -1.180 -3.719 156 HA SER 21 HA SER 21 -15.336 0.893 -4.030 157 1HB SER 21 2HB SER 21 -14.984 -0.948 -2.440 158 2HB SER 21 1HB SER 21 -14.913 -2.100 -3.775 159 HG SER 21 HG SER 21 -13.056 -0.958 -4.526 160 H VAL 22 H VAL 22 -16.146 -1.965 -5.953 161 HA VAL 22 HA VAL 22 -14.204 -1.599 -7.955 162 HB VAL 22 HB VAL 22 -16.917 -2.912 -8.194 163 1HG1 VAL 22 1HG1 VAL 22 -15.427 -4.271 -9.921 164 2HG1 VAL 22 2HG1 VAL 22 -14.577 -2.727 -10.010 165 3HG1 VAL 22 3HG1 VAL 22 -16.300 -2.809 -10.381 166 1HG2 VAL 22 1HG2 VAL 22 -15.042 -3.661 -6.449 167 2HG2 VAL 22 2HG2 VAL 22 -14.441 -4.503 -7.877 168 3HG2 VAL 22 3HG2 VAL 22 -16.075 -4.815 -7.293 169 H GLU 23 H GLU 23 -17.608 -0.617 -7.790 170 HA GLU 23 HA GLU 23 -17.646 0.687 -10.299 171 1HB GLU 23 2HB GLU 23 -19.386 1.094 -7.860 172 2HB GLU 23 1HB GLU 23 -19.713 1.780 -9.445 173 1HG GLU 23 2HG GLU 23 -19.913 -0.461 -10.383 174 2HG GLU 23 1HG GLU 23 -19.572 -1.157 -8.799 175 H CYS 24 H CYS 24 -17.021 1.782 -7.011 176 HA CYS 24 HA CYS 24 -16.830 4.534 -7.569 177 1HB CYS 24 2HB CYS 24 -17.056 3.660 -5.287 178 2HB CYS 24 1HB CYS 24 -15.455 2.933 -5.401 179 HG CYS 24 HG CYS 24 -14.831 5.059 -4.300 180 H ALA 25 H ALA 25 -14.496 1.914 -7.789 181 HA ALA 25 HA ALA 25 -12.204 3.541 -8.158 182 1HB ALA 25 1HB ALA 25 -12.552 0.909 -7.698 183 2HB ALA 25 2HB ALA 25 -11.060 1.595 -8.343 184 3HB ALA 25 3HB ALA 25 -12.247 0.878 -9.435 185 H THR 26 H THR 26 -14.594 2.099 -10.277 186 HA THR 26 HA THR 26 -13.361 2.639 -12.719 187 HB THR 26 HB THR 26 -16.311 2.523 -12.076 188 HG1 THR 26 1HG THR 26 -14.504 0.517 -12.939 189 1HG2 THR 26 1HG2 THR 26 -15.217 1.733 -14.718 190 2HG2 THR 26 2HG2 THR 26 -15.477 3.445 -14.387 191 3HG2 THR 26 3HG2 THR 26 -16.824 2.312 -14.282 192 H GLN 27 H GLN 27 -15.579 4.544 -10.756 193 HA GLN 27 HA GLN 27 -15.914 6.714 -12.493 194 1HB GLN 27 2HB GLN 27 -15.912 6.688 -9.466 195 2HB GLN 27 1HB GLN 27 -16.556 7.981 -10.467 196 1HG GLN 27 2HG GLN 27 -17.571 5.148 -10.429 197 2HG GLN 27 1HG GLN 27 -18.296 6.499 -9.564 198 1HE2 GLN 27 1HE2 GLN 27 -17.317 7.989 -12.233 199 2HE2 GLN 27 2HE2 GLN 27 -18.677 7.744 -13.262 200 H ALA 28 H ALA 28 -13.538 6.113 -9.941 201 HA ALA 28 HA ALA 28 -12.204 8.552 -9.998 202 1HB ALA 28 1HB ALA 28 -11.603 7.167 -8.240 203 2HB ALA 28 2HB ALA 28 -10.189 7.092 -9.291 204 3HB ALA 28 3HB ALA 28 -11.356 5.772 -9.291 205 H LEU 29 H LEU 29 -11.735 5.659 -11.983 206 HA LEU 29 HA LEU 29 -9.453 6.501 -13.356 207 1HB LEU 29 2HB LEU 29 -11.673 4.615 -14.076 208 2HB LEU 29 1HB LEU 29 -10.332 4.920 -15.169 209 HG LEU 29 HG LEU 29 -9.930 3.965 -12.347 210 1HD1 LEU 29 1HD1 LEU 29 -9.415 1.775 -13.789 211 2HD1 LEU 29 2HD1 LEU 29 -10.690 2.472 -14.787 212 3HD1 LEU 29 3HD1 LEU 29 -11.001 2.103 -13.091 213 1HD2 LEU 29 1HD2 LEU 29 -7.737 3.376 -13.104 214 2HD2 LEU 29 2HD2 LEU 29 -8.042 5.054 -13.553 215 3HD2 LEU 29 3HD2 LEU 29 -8.149 3.782 -14.770 216 H GLU 30 H GLU 30 -12.869 6.776 -14.252 217 HA GLU 30 HA GLU 30 -12.413 8.178 -16.666 218 1HB GLU 30 2HB GLU 30 -14.879 8.101 -14.919 219 2HB GLU 30 1HB GLU 30 -14.824 8.702 -16.571 220 1HG GLU 30 2HG GLU 30 -14.192 6.479 -17.360 221 2HG GLU 30 1HG GLU 30 -14.247 5.877 -15.704 222 H LYS 31 H LYS 31 -12.758 9.197 -13.347 223 HA LYS 31 HA LYS 31 -13.120 11.966 -13.988 224 1HB LYS 31 2HB LYS 31 -12.602 10.521 -11.397 225 2HB LYS 31 1HB LYS 31 -12.750 12.270 -11.501 226 1HG LYS 31 2HG LYS 31 -15.011 12.020 -12.406 227 2HG LYS 31 1HG LYS 31 -14.861 10.267 -12.272 228 1HD LYS 31 2HD LYS 31 -14.695 10.400 -9.886 229 2HD LYS 31 1HD LYS 31 -14.595 12.160 -9.941 230 1HE LYS 31 2HE LYS 31 -16.824 11.415 -9.271 231 2HE LYS 31 1HE LYS 31 -16.868 12.277 -10.808 232 1HZ LYS 31 1HZ LYS 31 -16.525 9.645 -11.488 233 2HZ LYS 31 2HZ LYS 31 -17.961 10.531 -11.595 234 3HZ LYS 31 3HZ LYS 31 -17.643 9.600 -10.218 235 H TYR 32 H TYR 32 -10.396 9.890 -13.188 236 HA TYR 32 HA TYR 32 -8.658 12.156 -13.809 237 1HB TYR 32 2HB TYR 32 -8.104 10.327 -11.477 238 2HB TYR 32 1HB TYR 32 -7.204 11.766 -11.942 239 HD1 TYR 32 1HD TYR 32 -10.620 10.710 -10.867 240 HD2 TYR 32 2HD TYR 32 -7.671 13.778 -10.888 241 HE1 TYR 32 1HE TYR 32 -12.015 12.053 -9.350 242 HE2 TYR 32 2HE TYR 32 -9.063 15.132 -9.379 243 HH TYR 32 HH TYR 32 -11.275 14.137 -7.526 244 H ASN 33 H ASN 33 -8.815 8.656 -13.240 245 HA ASN 33 HA ASN 33 -7.835 6.911 -14.338 246 1HB ASN 33 2HB ASN 33 -8.420 8.233 -16.405 247 2HB ASN 33 1HB ASN 33 -6.807 8.934 -16.339 248 1HD2 ASN 33 1HD2 ASN 33 -8.598 6.634 -17.774 249 2HD2 ASN 33 2HD2 ASN 33 -7.361 5.508 -18.205 250 H ILE 34 H ILE 34 -6.542 7.694 -12.178 251 HA ILE 34 HA ILE 34 -3.737 7.295 -12.894 252 HB ILE 34 HB ILE 34 -4.622 9.501 -11.026 253 1HG1 ILE 34 2HG1 ILE 34 -4.936 10.061 -13.407 254 2HG1 ILE 34 1HG1 ILE 34 -3.655 11.026 -12.678 255 1HG2 ILE 34 1HG2 ILE 34 -2.606 8.545 -10.192 256 2HG2 ILE 34 2HG2 ILE 34 -2.177 10.050 -11.006 257 3HG2 ILE 34 3HG2 ILE 34 -1.889 8.503 -11.803 258 1HD1 ILE 34 1HD1 ILE 34 -2.608 8.609 -13.849 259 2HD1 ILE 34 2HD1 ILE 34 -2.172 10.292 -14.146 260 3HD1 ILE 34 3HD1 ILE 34 -3.516 9.561 -15.023 261 H GLU 35 H GLU 35 -2.859 5.769 -11.659 262 HA GLU 35 HA GLU 35 -4.198 4.235 -9.831 263 1HB GLU 35 2HB GLU 35 -1.226 4.776 -9.878 264 2HB GLU 35 1HB GLU 35 -2.003 3.404 -9.103 265 1HG GLU 35 2HG GLU 35 -2.778 2.594 -11.249 266 2HG GLU 35 1HG GLU 35 -2.083 4.000 -12.052 267 H LYS 36 H LYS 36 -1.966 6.900 -9.072 268 HA LYS 36 HA LYS 36 -2.214 6.752 -6.279 269 1HB LYS 36 2HB LYS 36 -0.416 7.987 -7.381 270 2HB LYS 36 1HB LYS 36 -1.581 9.131 -8.032 271 1HG LYS 36 2HG LYS 36 -2.182 9.700 -5.654 272 2HG LYS 36 1HG LYS 36 -0.783 8.744 -5.162 273 1HD LYS 36 2HD LYS 36 -0.186 11.088 -5.280 274 2HD LYS 36 1HD LYS 36 0.658 10.187 -6.538 275 1HE LYS 36 2HE LYS 36 -0.962 10.936 -8.188 276 2HE LYS 36 1HE LYS 36 -1.870 11.783 -6.937 277 1HZ LYS 36 1HZ LYS 36 0.944 12.479 -7.171 278 2HZ LYS 36 2HZ LYS 36 -0.397 13.469 -6.890 279 3HZ LYS 36 3HZ LYS 36 -0.042 12.954 -8.461 280 H ASP 37 H ASP 37 -3.746 9.045 -8.528 281 HA ASP 37 HA ASP 37 -5.360 10.361 -6.707 282 1HB ASP 37 2HB ASP 37 -5.983 9.802 -9.611 283 2HB ASP 37 1HB ASP 37 -6.698 11.070 -8.622 284 H ILE 38 H ILE 38 -6.141 7.474 -8.638 285 HA ILE 38 HA ILE 38 -8.803 7.178 -8.009 286 HB ILE 38 HB ILE 38 -6.710 5.038 -8.383 287 1HG1 ILE 38 2HG1 ILE 38 -8.872 5.998 -10.261 288 2HG1 ILE 38 1HG1 ILE 38 -7.224 6.611 -10.285 289 1HG2 ILE 38 1HG2 ILE 38 -9.587 4.826 -7.752 290 2HG2 ILE 38 2HG2 ILE 38 -8.269 3.702 -7.432 291 3HG2 ILE 38 3HG2 ILE 38 -8.987 3.782 -9.040 292 1HD1 ILE 38 1HD1 ILE 38 -6.716 3.996 -10.459 293 2HD1 ILE 38 2HD1 ILE 38 -7.000 5.022 -11.864 294 3HD1 ILE 38 3HD1 ILE 38 -8.308 4.036 -11.213 295 H ALA 39 H ALA 39 -6.010 6.133 -6.104 296 HA ALA 39 HA ALA 39 -7.439 4.796 -4.093 297 1HB ALA 39 1HB ALA 39 -5.440 4.648 -2.943 298 2HB ALA 39 2HB ALA 39 -4.883 6.225 -3.501 299 3HB ALA 39 3HB ALA 39 -4.894 4.851 -4.607 300 H ALA 40 H ALA 40 -6.583 8.188 -4.485 301 HA ALA 40 HA ALA 40 -7.286 9.018 -1.872 302 1HB ALA 40 1HB ALA 40 -7.559 11.293 -3.177 303 2HB ALA 40 2HB ALA 40 -6.759 10.382 -4.457 304 3HB ALA 40 3HB ALA 40 -5.972 10.577 -2.890 305 H HIS 41 H HIS 41 -9.104 9.030 -4.926 306 HA HIS 41 HA HIS 41 -11.404 10.312 -3.945 307 1HB HIS 41 2HB HIS 41 -11.431 8.273 -6.158 308 2HB HIS 41 1HB HIS 41 -12.455 9.692 -5.967 309 HD1 HIS 41 1HD HIS 41 -10.552 11.952 -5.690 310 HD2 HIS 41 2HD HIS 41 -9.841 8.768 -8.259 311 HE1 HIS 41 1HE HIS 41 -8.907 12.813 -7.386 312 HE2 HIS 41 2HE HIS 41 -8.536 10.883 -8.964 313 H ILE 42 H ILE 42 -10.777 6.845 -4.460 314 HA ILE 42 HA ILE 42 -13.239 5.927 -3.479 315 HB ILE 42 HB ILE 42 -10.597 4.467 -3.503 316 1HG1 ILE 42 2HG1 ILE 42 -12.800 4.588 -5.572 317 2HG1 ILE 42 1HG1 ILE 42 -11.210 5.328 -5.717 318 1HG2 ILE 42 1HG2 ILE 42 -12.049 2.442 -3.626 319 2HG2 ILE 42 2HG2 ILE 42 -13.435 3.479 -3.292 320 3HG2 ILE 42 3HG2 ILE 42 -12.151 3.312 -2.096 321 1HD1 ILE 42 1HD1 ILE 42 -12.046 2.554 -6.121 322 2HD1 ILE 42 2HD1 ILE 42 -10.541 2.753 -5.225 323 3HD1 ILE 42 3HD1 ILE 42 -10.709 3.457 -6.831 324 H LYS 43 H LYS 43 -10.083 6.148 -1.833 325 HA LYS 43 HA LYS 43 -10.853 5.060 0.598 326 1HB LYS 43 2HB LYS 43 -8.525 5.462 0.023 327 2HB LYS 43 1HB LYS 43 -8.791 7.198 0.049 328 1HG LYS 43 2HG LYS 43 -9.384 5.632 2.507 329 2HG LYS 43 1HG LYS 43 -7.702 5.945 2.083 330 1HD LYS 43 2HD LYS 43 -9.809 8.089 2.337 331 2HD LYS 43 1HD LYS 43 -8.705 7.629 3.629 332 1HE LYS 43 2HE LYS 43 -7.870 8.647 0.916 333 2HE LYS 43 1HE LYS 43 -7.955 9.622 2.382 334 1HZ LYS 43 1HZ LYS 43 -6.240 7.221 2.055 335 2HZ LYS 43 2HZ LYS 43 -6.266 8.266 3.384 336 3HZ LYS 43 3HZ LYS 43 -5.702 8.816 1.888 337 H LYS 44 H LYS 44 -10.640 8.536 -0.188 338 HA LYS 44 HA LYS 44 -11.750 9.446 2.214 339 1HB LYS 44 2HB LYS 44 -11.830 10.766 -0.504 340 2HB LYS 44 1HB LYS 44 -12.102 11.571 1.036 341 1HG LYS 44 2HG LYS 44 -9.819 11.112 1.712 342 2HG LYS 44 1HG LYS 44 -9.536 10.229 0.211 343 1HD LYS 44 2HD LYS 44 -9.973 12.282 -1.064 344 2HD LYS 44 1HD LYS 44 -10.222 13.159 0.447 345 1HE LYS 44 2HE LYS 44 -7.973 13.525 -0.439 346 2HE LYS 44 1HE LYS 44 -7.926 12.687 1.112 347 1HZ LYS 44 1HZ LYS 44 -8.000 10.956 -1.202 348 2HZ LYS 44 2HZ LYS 44 -7.043 10.863 0.188 349 3HZ LYS 44 3HZ LYS 44 -6.599 11.897 -1.075 350 H GLU 45 H GLU 45 -13.302 8.692 -0.878 351 HA GLU 45 HA GLU 45 -15.845 9.646 -0.384 352 1HB GLU 45 2HB GLU 45 -15.023 8.716 -2.542 353 2HB GLU 45 1HB GLU 45 -15.161 7.100 -1.864 354 1HG GLU 45 2HG GLU 45 -17.068 7.536 -3.236 355 2HG GLU 45 1HG GLU 45 -17.581 7.482 -1.551 356 H PHE 46 H PHE 46 -14.606 6.372 0.361 357 HA PHE 46 HA PHE 46 -17.039 5.553 1.586 358 1HB PHE 46 2HB PHE 46 -14.269 4.393 1.600 359 2HB PHE 46 1HB PHE 46 -15.593 3.673 2.513 360 HD1 PHE 46 1HD PHE 46 -14.952 4.945 -0.942 361 HD2 PHE 46 2HD PHE 46 -16.738 1.969 1.509 362 HE1 PHE 46 1HE PHE 46 -15.687 3.739 -2.953 363 HE2 PHE 46 2HE PHE 46 -17.475 0.751 -0.496 364 HZ PHE 46 HZ PHE 46 -16.950 1.637 -2.732 365 H ASP 47 H ASP 47 -14.008 6.839 2.890 366 HA ASP 47 HA ASP 47 -14.489 6.464 5.598 367 1HB ASP 47 2HB ASP 47 -13.152 8.796 4.205 368 2HB ASP 47 1HB ASP 47 -13.127 8.554 5.947 369 H LYS 48 H LYS 48 -15.819 8.767 3.358 370 HA LYS 48 HA LYS 48 -17.089 10.424 5.320 371 1HB LYS 48 2HB LYS 48 -16.350 10.877 2.818 372 2HB LYS 48 1HB LYS 48 -17.984 10.328 2.478 373 1HG LYS 48 2HG LYS 48 -17.170 12.664 4.184 374 2HG LYS 48 1HG LYS 48 -17.979 12.708 2.617 375 1HD LYS 48 2HD LYS 48 -19.947 11.662 3.569 376 2HD LYS 48 1HD LYS 48 -19.132 11.496 5.125 377 1HE LYS 48 2HE LYS 48 -20.645 13.397 5.141 378 2HE LYS 48 1HE LYS 48 -18.968 13.914 5.314 379 1HZ LYS 48 1HZ LYS 48 -18.998 14.966 3.339 380 2HZ LYS 48 2HZ LYS 48 -20.668 15.012 3.596 381 3HZ LYS 48 3HZ LYS 48 -20.000 13.821 2.599 382 H LYS 49 H LYS 49 -18.196 7.932 3.054 383 HA LYS 49 HA LYS 49 -20.912 8.081 3.990 384 1HB LYS 49 2HB LYS 49 -19.590 6.158 2.088 385 2HB LYS 49 1HB LYS 49 -21.318 6.243 2.397 386 1HG LYS 49 2HG LYS 49 -21.323 8.560 1.559 387 2HG LYS 49 1HG LYS 49 -19.605 8.400 1.188 388 1HD LYS 49 2HD LYS 49 -20.085 6.598 -0.369 389 2HD LYS 49 1HD LYS 49 -21.800 6.676 0.040 390 1HE LYS 49 2HE LYS 49 -20.191 8.893 -1.218 391 2HE LYS 49 1HE LYS 49 -21.302 7.824 -2.072 392 1HZ LYS 49 1HZ LYS 49 -22.027 9.727 0.092 393 2HZ LYS 49 2HZ LYS 49 -23.104 8.679 -0.688 394 3HZ LYS 49 3HZ LYS 49 -22.355 9.923 -1.557 395 H TYR 50 H TYR 50 -18.597 5.395 3.883 396 HA TYR 50 HA TYR 50 -20.172 3.885 5.750 397 1HB TYR 50 2HB TYR 50 -17.511 3.304 4.454 398 2HB TYR 50 1HB TYR 50 -18.381 2.173 5.487 399 HD1 TYR 50 1HD TYR 50 -19.152 4.359 2.547 400 HD2 TYR 50 2HD TYR 50 -19.577 0.544 4.378 401 HE1 TYR 50 1HE TYR 50 -20.450 3.595 0.619 402 HE2 TYR 50 2HE TYR 50 -20.872 -0.242 2.440 403 HH TYR 50 HH TYR 50 -20.998 1.415 -0.484 404 H ASN 51 H ASN 51 -17.604 6.111 6.024 405 HA ASN 51 HA ASN 51 -16.809 7.062 7.972 406 1HB ASN 51 2HB ASN 51 -17.703 4.553 9.414 407 2HB ASN 51 1HB ASN 51 -17.053 6.004 10.161 408 1HD2 ASN 51 1HD2 ASN 51 -18.524 7.236 11.041 409 2HD2 ASN 51 2HD2 ASN 51 -20.150 7.444 10.497 410 HA PRO 52 HA PRO 52 -12.788 5.448 7.457 411 1HB PRO 52 2HB PRO 52 -11.591 6.443 9.739 412 2HB PRO 52 1HB PRO 52 -11.854 7.365 8.256 413 1HG PRO 52 2HG PRO 52 -13.476 7.308 10.767 414 2HG PRO 52 1HG PRO 52 -13.039 8.691 9.742 415 1HD PRO 52 2HD PRO 52 -15.479 7.583 9.632 416 2HD PRO 52 1HD PRO 52 -14.676 8.206 8.175 417 H THR 53 H THR 53 -11.602 2.929 9.707 418 HA THR 53 HA THR 53 -11.000 5.145 7.871 419 HB THR 53 HB THR 53 -9.573 5.071 9.862 420 HG1 THR 53 1HG THR 53 -7.533 4.820 8.668 421 1HG2 THR 53 1HG2 THR 53 -8.875 2.311 8.914 422 2HG2 THR 53 2HG2 THR 53 -9.534 2.788 10.478 423 3HG2 THR 53 3HG2 THR 53 -7.887 3.239 10.040 424 H TRP 54 H TRP 54 -10.528 4.722 5.804 425 HA TRP 54 HA TRP 54 -10.380 1.896 5.018 426 1HB TRP 54 2HB TRP 54 -11.179 4.319 3.407 427 2HB TRP 54 1HB TRP 54 -11.057 2.684 2.765 428 HD1 TRP 54 HD TRP 54 -12.940 4.401 5.693 429 HE1 TRP 54 1HE TRP 54 -15.295 3.394 5.807 430 HE3 TRP 54 3HE TRP 54 -12.525 0.979 1.924 431 HZ2 TRP 54 2HZ TRP 54 -16.782 1.386 4.485 432 HZ3 TRP 54 3HZ TRP 54 -14.458 -0.458 1.418 433 HH2 TRP 54 HH TRP 54 -16.544 -0.258 2.675 434 H HIS 55 H HIS 55 -8.666 1.086 4.048 435 HA HIS 55 HA HIS 55 -6.465 2.915 3.357 436 1HB HIS 55 2HB HIS 55 -6.189 -0.053 3.787 437 2HB HIS 55 1HB HIS 55 -4.951 1.194 3.912 438 HD1 HIS 55 1HD HIS 55 -5.856 3.085 5.935 439 HD2 HIS 55 2HD HIS 55 -6.792 -0.947 6.247 440 HE1 HIS 55 1HE HIS 55 -6.361 2.701 8.367 441 HE2 HIS 55 2HE HIS 55 -6.824 0.232 8.550 442 H CYS 56 H CYS 56 -5.717 2.938 1.258 443 HA CYS 56 HA CYS 56 -6.702 0.845 -0.546 444 1HB CYS 56 2HB CYS 56 -8.275 2.711 -0.705 445 2HB CYS 56 1HB CYS 56 -6.950 3.811 -1.069 446 HG CYS 56 HG CYS 56 -6.644 2.483 -3.344 447 H ILE 57 H ILE 57 -5.566 0.552 -2.456 448 HA ILE 57 HA ILE 57 -3.114 2.033 -2.934 449 HB ILE 57 HB ILE 57 -3.067 -0.952 -2.445 450 1HG1 ILE 57 2HG1 ILE 57 -1.874 1.318 -0.839 451 2HG1 ILE 57 1HG1 ILE 57 -3.234 0.313 -0.353 452 1HG2 ILE 57 1HG2 ILE 57 -1.545 -0.043 -4.238 453 2HG2 ILE 57 2HG2 ILE 57 -0.746 -0.894 -2.918 454 3HG2 ILE 57 3HG2 ILE 57 -0.728 0.868 -2.968 455 1HD1 ILE 57 1HD1 ILE 57 -0.860 -1.227 -1.027 456 2HD1 ILE 57 2HD1 ILE 57 -1.902 -1.303 0.395 457 3HD1 ILE 57 3HD1 ILE 57 -0.614 -0.101 0.308 458 H VAL 58 H VAL 58 -2.428 1.869 -5.094 459 HA VAL 58 HA VAL 58 -3.829 0.002 -6.845 460 HB VAL 58 HB VAL 58 -3.892 2.984 -7.333 461 1HG1 VAL 58 1HG1 VAL 58 -5.389 2.367 -9.217 462 2HG1 VAL 58 2HG1 VAL 58 -5.004 0.672 -8.916 463 3HG1 VAL 58 3HG1 VAL 58 -3.733 1.789 -9.412 464 1HG2 VAL 58 1HG2 VAL 58 -5.505 2.689 -5.705 465 2HG2 VAL 58 2HG2 VAL 58 -5.919 1.067 -6.263 466 3HG2 VAL 58 3HG2 VAL 58 -6.435 2.477 -7.188 467 H GLY 59 H GLY 59 -2.518 -0.775 -8.354 468 1HA GLY 59 2HA GLY 59 -0.608 0.691 -9.793 469 2HA GLY 59 1HA GLY 59 0.209 -0.110 -8.460 470 H ARG 60 H ARG 60 1.294 -1.762 -9.338 471 HA ARG 60 HA ARG 60 -0.026 -4.061 -10.253 472 1HB ARG 60 2HB ARG 60 0.645 -4.066 -12.631 473 2HB ARG 60 1HB ARG 60 -0.520 -2.801 -12.263 474 1HG ARG 60 2HG ARG 60 1.286 -1.157 -12.197 475 2HG ARG 60 1HG ARG 60 2.455 -2.427 -12.565 476 1HD ARG 60 2HD ARG 60 1.336 -2.838 -14.697 477 2HD ARG 60 1HD ARG 60 0.153 -1.586 -14.324 478 HE ARG 60 HE ARG 60 2.713 -0.463 -14.172 479 1HH1 ARG 60 1HH1 ARG 60 0.536 -1.785 -16.559 480 2HH1 ARG 60 2HH1 ARG 60 1.157 -0.812 -17.847 481 1HH2 ARG 60 1HH2 ARG 60 3.531 0.820 -15.866 482 2HH2 ARG 60 2HH2 ARG 60 2.859 0.669 -17.455 483 H ASN 61 H ASN 61 2.102 -3.367 -8.491 484 HA ASN 61 HA ASN 61 3.864 -5.439 -8.795 485 1HB ASN 61 2HB ASN 61 4.576 -4.040 -10.823 486 2HB ASN 61 1HB ASN 61 5.227 -2.893 -9.659 487 1HD2 ASN 61 1HD2 ASN 61 5.641 -5.812 -11.284 488 2HD2 ASN 61 2HD2 ASN 61 7.171 -6.264 -10.611 489 H PHE 62 H PHE 62 3.161 -5.224 -6.520 490 HA PHE 62 HA PHE 62 5.184 -3.951 -4.945 491 1HB PHE 62 2HB PHE 62 3.856 -2.302 -3.827 492 2HB PHE 62 1HB PHE 62 3.689 -2.036 -5.560 493 HD1 PHE 62 1HD PHE 62 2.011 -3.430 -2.579 494 HD2 PHE 62 2HD PHE 62 1.575 -2.145 -6.613 495 HE1 PHE 62 1HE PHE 62 -0.435 -3.566 -2.355 496 HE2 PHE 62 2HE PHE 62 -0.872 -2.271 -6.393 497 HZ PHE 62 HZ PHE 62 -1.880 -2.983 -4.263 498 H GLY 63 H GLY 63 5.425 -4.949 -3.057 499 1HA GLY 63 2HA GLY 63 3.563 -7.063 -2.328 500 2HA GLY 63 1HA GLY 63 5.107 -6.715 -1.552 501 H SER 64 H SER 64 2.053 -6.932 -0.697 502 HA SER 64 HA SER 64 2.211 -4.535 1.007 503 1HB SER 64 2HB SER 64 0.506 -4.188 -0.699 504 2HB SER 64 1HB SER 64 -0.288 -5.691 -0.234 505 HG SER 64 HG SER 64 -0.694 -4.771 1.805 506 H TYR 65 H TYR 65 1.564 -4.644 3.076 507 HA TYR 65 HA TYR 65 0.390 -7.060 4.169 508 1HB TYR 65 2HB TYR 65 2.956 -7.311 4.142 509 2HB TYR 65 1HB TYR 65 2.973 -6.043 5.356 510 HD1 TYR 65 1HD TYR 65 4.254 -8.312 6.253 511 HD2 TYR 65 2HD TYR 65 0.052 -7.708 6.041 512 HE1 TYR 65 1HE TYR 65 3.922 -10.011 7.999 513 HE2 TYR 65 2HE TYR 65 -0.287 -9.401 7.781 514 HH TYR 65 HH TYR 65 1.362 -11.593 8.567 515 H VAL 66 H VAL 66 -1.148 -6.379 5.514 516 HA VAL 66 HA VAL 66 -0.752 -4.068 7.247 517 HB VAL 66 HB VAL 66 -3.078 -4.188 5.326 518 1HG1 VAL 66 1HG1 VAL 66 -2.153 -2.159 7.328 519 2HG1 VAL 66 2HG1 VAL 66 -3.727 -2.945 7.203 520 3HG1 VAL 66 3HG1 VAL 66 -3.242 -1.741 6.008 521 1HG2 VAL 66 1HG2 VAL 66 -1.148 -3.803 3.983 522 2HG2 VAL 66 2HG2 VAL 66 -0.512 -2.622 5.128 523 3HG2 VAL 66 3HG2 VAL 66 -1.960 -2.251 4.191 524 H THR 67 H THR 67 -2.742 -3.734 8.668 525 HA THR 67 HA THR 67 -4.094 -6.303 9.177 526 HB THR 67 HB THR 67 -3.207 -4.234 11.205 527 HG1 THR 67 1HG THR 67 -1.585 -5.687 10.301 528 1HG2 THR 67 1HG2 THR 67 -4.586 -5.121 12.680 529 2HG2 THR 67 2HG2 THR 67 -3.887 -6.715 12.395 530 3HG2 THR 67 3HG2 THR 67 -5.256 -6.167 11.427 531 H HIS 68 H HIS 68 -6.284 -6.257 9.647 532 HA HIS 68 HA HIS 68 -7.701 -3.766 9.982 533 1HB HIS 68 2HB HIS 68 -8.968 -3.975 7.865 534 2HB HIS 68 1HB HIS 68 -7.246 -3.702 7.584 535 HD1 HIS 68 1HD HIS 68 -9.809 -6.470 7.529 536 HD2 HIS 68 2HD HIS 68 -5.947 -5.702 6.206 537 HE1 HIS 68 1HE HIS 68 -9.174 -8.450 6.128 538 HE2 HIS 68 2HE HIS 68 -6.785 -8.036 5.470 539 H GLU 69 H GLU 69 -9.921 -4.053 10.422 540 HA GLU 69 HA GLU 69 -10.613 -6.355 11.845 541 1HB GLU 69 2HB GLU 69 -11.666 -4.201 12.250 542 2HB GLU 69 1HB GLU 69 -12.369 -4.211 10.640 543 1HG GLU 69 2HG GLU 69 -14.016 -4.770 12.321 544 2HG GLU 69 1HG GLU 69 -13.738 -6.127 11.230 545 H THR 70 H THR 70 -11.722 -8.198 11.343 546 HA THR 70 HA THR 70 -11.676 -9.183 8.730 547 HB THR 70 HB THR 70 -13.142 -10.998 9.588 548 HG1 THR 70 1HG THR 70 -13.085 -9.524 12.008 549 1HG2 THR 70 1HG2 THR 70 -11.614 -11.450 11.715 550 2HG2 THR 70 2HG2 THR 70 -10.648 -10.192 10.943 551 3HG2 THR 70 3HG2 THR 70 -11.041 -11.668 10.061 552 H LYS 71 H LYS 71 -13.282 -9.578 7.203 553 HA LYS 71 HA LYS 71 -15.134 -9.162 5.955 554 1HB LYS 71 2HB LYS 71 -16.398 -8.268 8.553 555 2HB LYS 71 1HB LYS 71 -17.253 -8.619 7.060 556 1HG LYS 71 2HG LYS 71 -15.580 -10.716 8.375 557 2HG LYS 71 1HG LYS 71 -17.212 -10.374 8.946 558 1HD LYS 71 2HD LYS 71 -17.263 -12.212 7.377 559 2HD LYS 71 1HD LYS 71 -18.070 -10.812 6.675 560 1HE LYS 71 2HE LYS 71 -16.189 -10.336 5.290 561 2HE LYS 71 1HE LYS 71 -15.200 -11.538 6.117 562 1HZ LYS 71 1HZ LYS 71 -17.426 -12.885 5.202 563 2HZ LYS 71 2HZ LYS 71 -15.858 -12.966 4.573 564 3HZ LYS 71 3HZ LYS 71 -16.973 -11.869 3.927 565 H HIS 72 H HIS 72 -13.093 -7.251 6.239 566 HA HIS 72 HA HIS 72 -14.506 -4.912 5.286 567 1HB HIS 72 2HB HIS 72 -12.656 -4.745 7.678 568 2HB HIS 72 1HB HIS 72 -13.262 -3.358 6.783 569 HD1 HIS 72 1HD HIS 72 -14.691 -6.284 8.757 570 HD2 HIS 72 2HD HIS 72 -15.527 -2.329 7.829 571 HE1 HIS 72 1HE HIS 72 -16.761 -5.713 10.062 572 HE2 HIS 72 2HE HIS 72 -17.196 -3.285 9.554 573 H PHE 73 H PHE 73 -13.040 -6.614 3.791 574 HA PHE 73 HA PHE 73 -10.900 -4.915 2.886 575 1HB PHE 73 2HB PHE 73 -9.741 -6.236 4.586 576 2HB PHE 73 1HB PHE 73 -10.302 -7.725 3.834 577 HD1 PHE 73 1HD PHE 73 -9.617 -8.020 1.312 578 HD2 PHE 73 2HD PHE 73 -7.653 -5.441 4.068 579 HE1 PHE 73 1HE PHE 73 -7.605 -8.048 -0.100 580 HE2 PHE 73 2HE PHE 73 -5.637 -5.465 2.657 581 HZ PHE 73 HZ PHE 73 -5.612 -6.771 0.572 582 H ILE 74 H ILE 74 -10.291 -5.265 0.769 583 HA ILE 74 HA ILE 74 -11.235 -7.542 -0.711 584 HB ILE 74 HB ILE 74 -13.299 -6.272 -0.674 585 1HG1 ILE 74 2HG1 ILE 74 -11.897 -6.044 -3.349 586 2HG1 ILE 74 1HG1 ILE 74 -12.730 -7.472 -2.743 587 1HG2 ILE 74 1HG2 ILE 74 -11.678 -4.003 -1.824 588 2HG2 ILE 74 2HG2 ILE 74 -12.386 -4.069 -0.209 589 3HG2 ILE 74 3HG2 ILE 74 -13.431 -4.016 -1.629 590 1HD1 ILE 74 1HD1 ILE 74 -13.778 -5.154 -4.097 591 2HD1 ILE 74 2HD1 ILE 74 -14.620 -5.462 -2.579 592 3HD1 ILE 74 3HD1 ILE 74 -14.518 -6.727 -3.804 593 H TYR 75 H TYR 75 -10.168 -7.814 -2.613 594 HA TYR 75 HA TYR 75 -8.421 -5.657 -3.573 595 1HB TYR 75 2HB TYR 75 -7.169 -7.301 -2.097 596 2HB TYR 75 1HB TYR 75 -7.508 -8.527 -3.313 597 HD1 TYR 75 1HD TYR 75 -6.871 -7.636 -5.821 598 HD2 TYR 75 2HD TYR 75 -5.080 -6.375 -2.175 599 HE1 TYR 75 1HE TYR 75 -4.857 -6.953 -7.051 600 HE2 TYR 75 2HE TYR 75 -3.061 -5.690 -3.395 601 HH TYR 75 HH TYR 75 -2.417 -5.040 -5.669 602 H PHE 76 H PHE 76 -8.365 -5.503 -5.792 603 HA PHE 76 HA PHE 76 -8.992 -7.718 -7.487 604 1HB PHE 76 2HB PHE 76 -11.087 -6.799 -8.422 605 2HB PHE 76 1HB PHE 76 -11.248 -7.230 -6.723 606 HD1 PHE 76 1HD PHE 76 -10.462 -4.296 -8.889 607 HD2 PHE 76 2HD PHE 76 -12.227 -5.722 -5.288 608 HE1 PHE 76 1HE PHE 76 -11.284 -2.031 -8.399 609 HE2 PHE 76 2HE PHE 76 -13.055 -3.458 -4.795 610 HZ PHE 76 HZ PHE 76 -12.584 -1.610 -6.351 611 H TYR 77 H TYR 77 -8.392 -7.401 -9.569 612 HA TYR 77 HA TYR 77 -6.926 -4.975 -10.163 613 1HB TYR 77 2HB TYR 77 -7.331 -7.531 -11.730 614 2HB TYR 77 1HB TYR 77 -6.350 -6.180 -12.290 615 HD1 TYR 77 1HD TYR 77 -6.686 -8.274 -9.197 616 HD2 TYR 77 2HD TYR 77 -4.086 -6.386 -11.984 617 HE1 TYR 77 1HE TYR 77 -4.745 -9.189 -7.999 618 HE2 TYR 77 2HE TYR 77 -2.137 -7.297 -10.795 619 HH TYR 77 HH TYR 77 -1.560 -9.067 -9.288 620 H LEU 78 H LEU 78 -7.300 -3.701 -12.091 621 HA LEU 78 HA LEU 78 -9.743 -4.036 -13.561 622 1HB LEU 78 2HB LEU 78 -10.629 -3.060 -11.515 623 2HB LEU 78 1HB LEU 78 -9.493 -1.729 -11.635 624 HG LEU 78 HG LEU 78 -10.592 -0.961 -13.688 625 1HD1 LEU 78 1HD1 LEU 78 -11.622 -2.578 -14.855 626 2HD1 LEU 78 2HD1 LEU 78 -13.006 -2.184 -13.837 627 3HD1 LEU 78 3HD1 LEU 78 -11.961 -3.542 -13.418 628 1HD2 LEU 78 1HD2 LEU 78 -11.525 0.215 -11.990 629 2HD2 LEU 78 2HD2 LEU 78 -12.021 -1.233 -11.113 630 3HD2 LEU 78 3HD2 LEU 78 -12.963 -0.674 -12.495 631 H GLY 79 H GLY 79 -9.677 -3.051 -15.491 632 1HA GLY 79 2HA GLY 79 -8.935 -1.793 -17.256 633 2HA GLY 79 1HA GLY 79 -8.236 -0.686 -16.081 634 H GLN 80 H GLN 80 -6.247 -1.629 -14.950 635 HA GLN 80 HA GLN 80 -4.663 -3.583 -16.111 636 1HB GLN 80 2HB GLN 80 -4.686 -2.010 -18.064 637 2HB GLN 80 1HB GLN 80 -3.897 -0.810 -17.051 638 1HG GLN 80 2HG GLN 80 -1.964 -2.260 -16.806 639 2HG GLN 80 1HG GLN 80 -2.760 -3.504 -17.766 640 1HE2 GLN 80 1HE2 GLN 80 -2.066 -3.597 -19.765 641 2HE2 GLN 80 2HE2 GLN 80 -1.508 -2.269 -20.720 642 H VAL 81 H VAL 81 -5.363 -2.566 -13.562 643 HA VAL 81 HA VAL 81 -2.742 -2.398 -12.380 644 HB VAL 81 HB VAL 81 -3.172 -0.333 -11.105 645 1HG1 VAL 81 1HG1 VAL 81 -3.366 0.221 -14.057 646 2HG1 VAL 81 2HG1 VAL 81 -1.896 -0.349 -13.266 647 3HG1 VAL 81 3HG1 VAL 81 -2.589 1.208 -12.818 648 1HG2 VAL 81 1HG2 VAL 81 -5.188 0.591 -11.022 649 2HG2 VAL 81 2HG2 VAL 81 -5.790 -0.636 -12.134 650 3HG2 VAL 81 3HG2 VAL 81 -5.150 0.881 -12.761 651 H ALA 82 H ALA 82 -2.734 -3.314 -10.404 652 HA ALA 82 HA ALA 82 -5.089 -4.588 -9.450 653 1HB ALA 82 1HB ALA 82 -2.454 -5.083 -9.164 654 2HB ALA 82 2HB ALA 82 -3.701 -5.774 -8.126 655 3HB ALA 82 3HB ALA 82 -2.808 -4.347 -7.601 656 H ILE 83 H ILE 83 -6.632 -3.781 -8.199 657 HA ILE 83 HA ILE 83 -6.115 -1.285 -6.749 658 HB ILE 83 HB ILE 83 -8.761 -2.592 -7.400 659 1HG1 ILE 83 2HG1 ILE 83 -7.380 -0.204 -8.647 660 2HG1 ILE 83 1HG1 ILE 83 -7.580 -1.782 -9.402 661 1HG2 ILE 83 1HG2 ILE 83 -7.996 -0.311 -5.725 662 2HG2 ILE 83 2HG2 ILE 83 -9.465 -1.287 -5.715 663 3HG2 ILE 83 3HG2 ILE 83 -9.286 0.025 -6.880 664 1HD1 ILE 83 1HD1 ILE 83 -9.180 0.098 -10.066 665 2HD1 ILE 83 2HD1 ILE 83 -9.945 -0.185 -8.502 666 3HD1 ILE 83 3HD1 ILE 83 -9.866 -1.484 -9.693 667 H LEU 84 H LEU 84 -6.493 -1.067 -4.571 668 HA LEU 84 HA LEU 84 -7.268 -3.479 -3.084 669 1HB LEU 84 2HB LEU 84 -4.845 -3.387 -3.038 670 2HB LEU 84 1HB LEU 84 -4.888 -1.716 -2.509 671 HG LEU 84 HG LEU 84 -5.918 -2.415 -0.385 672 1HD1 LEU 84 1HD1 LEU 84 -6.782 -4.434 -0.058 673 2HD1 LEU 84 2HD1 LEU 84 -5.295 -5.224 -0.579 674 3HD1 LEU 84 3HD1 LEU 84 -6.510 -4.758 -1.770 675 1HD2 LEU 84 1HD2 LEU 84 -3.324 -3.735 -1.156 676 2HD2 LEU 84 2HD2 LEU 84 -3.922 -3.646 0.501 677 3HD2 LEU 84 3HD2 LEU 84 -3.552 -2.166 -0.383 678 H LEU 85 H LEU 85 -8.489 -3.131 -1.282 679 HA LEU 85 HA LEU 85 -8.734 -0.521 -0.099 680 1HB LEU 85 2HB LEU 85 -10.202 -0.299 -2.057 681 2HB LEU 85 1HB LEU 85 -11.098 -1.718 -1.546 682 HG LEU 85 HG LEU 85 -11.806 -0.525 0.495 683 1HD1 LEU 85 1HD1 LEU 85 -10.234 1.055 1.022 684 2HD1 LEU 85 2HD1 LEU 85 -11.469 2.062 0.266 685 3HD1 LEU 85 3HD1 LEU 85 -10.039 1.582 -0.650 686 1HD2 LEU 85 1HD2 LEU 85 -13.393 -0.438 -1.212 687 2HD2 LEU 85 2HD2 LEU 85 -12.408 0.639 -2.202 688 3HD2 LEU 85 3HD2 LEU 85 -13.189 1.251 -0.744 689 H PHE 86 H PHE 86 -9.399 -0.645 1.976 690 HA PHE 86 HA PHE 86 -11.076 -2.642 3.042 691 1HB PHE 86 2HB PHE 86 -9.419 -3.907 4.366 692 2HB PHE 86 1HB PHE 86 -9.186 -4.128 2.637 693 HD1 PHE 86 1HD PHE 86 -7.466 -2.408 1.556 694 HD2 PHE 86 2HD PHE 86 -7.576 -3.529 5.658 695 HE1 PHE 86 1HE PHE 86 -5.109 -1.752 1.792 696 HE2 PHE 86 2HE PHE 86 -5.220 -2.873 5.903 697 HZ PHE 86 HZ PHE 86 -3.981 -1.984 3.968 698 H LYS 87 H LYS 87 -11.929 -1.821 4.855 699 HA LYS 87 HA LYS 87 -10.566 0.445 6.080 700 1HB LYS 87 2HB LYS 87 -12.687 0.970 7.150 701 2HB LYS 87 1HB LYS 87 -12.888 0.794 5.417 702 1HG LYS 87 2HG LYS 87 -13.925 -1.324 5.664 703 2HG LYS 87 1HG LYS 87 -13.495 -1.401 7.375 704 1HD LYS 87 2HD LYS 87 -15.299 0.699 6.188 705 2HD LYS 87 1HD LYS 87 -15.885 -0.790 6.925 706 1HE LYS 87 2HE LYS 87 -14.786 -0.159 9.030 707 2HE LYS 87 1HE LYS 87 -14.235 1.340 8.283 708 1HZ LYS 87 1HZ LYS 87 -16.448 1.201 9.694 709 2HZ LYS 87 2HZ LYS 87 -17.098 0.779 8.189 710 3HZ LYS 87 3HZ LYS 87 -16.289 2.253 8.378 711 H SER 88 H SER 88 -10.952 0.707 8.484 712 HA SER 88 HA SER 88 -10.880 -1.794 9.977 713 1HB SER 88 2HB SER 88 -8.594 0.193 10.015 714 2HB SER 88 1HB SER 88 -8.759 -1.187 11.101 715 HG SER 88 HG SER 88 -8.392 -1.220 8.291 716 H GLY 89 H GLY 89 -11.800 -1.586 11.919 717 1HA GLY 89 2HA GLY 89 -13.195 0.738 12.636 718 2HA GLY 89 1HA GLY 89 -12.899 -0.633 13.695 719 1H MET 1 1HT MET 1 28.301 2.863 8.216 720 2H MET 1 2HT MET 1 28.499 4.560 8.057 721 3H MET 1 3HT MET 1 26.951 3.851 7.842 722 HA MET 1 HA MET 1 28.507 4.197 10.300 723 1HB MET 1 2HB MET 1 27.053 6.023 9.572 724 2HB MET 1 1HB MET 1 25.700 4.911 9.426 725 1HG MET 1 2HG MET 1 25.751 4.514 11.825 726 2HG MET 1 1HG MET 1 27.133 5.595 11.983 727 1HE MET 1 1HE MET 1 22.834 6.201 11.254 728 2HE MET 1 2HE MET 1 23.921 5.265 10.227 729 3HE MET 1 3HE MET 1 23.548 6.940 9.821 730 H CYS 2 H CYS 2 25.799 2.450 8.817 731 HA CYS 2 HA CYS 2 26.212 0.118 10.323 732 1HB CYS 2 2HB CYS 2 25.365 1.522 12.174 733 2HB CYS 2 1HB CYS 2 23.884 1.803 11.269 734 HG CYS 2 HG CYS 2 23.170 -0.112 12.684 735 H ASP 3 H ASP 3 25.812 0.695 7.653 736 HA ASP 3 HA ASP 3 24.713 -0.065 5.819 737 1HB ASP 3 2HB ASP 3 23.251 -1.776 7.839 738 2HB ASP 3 1HB ASP 3 23.205 -2.004 6.094 739 H ARG 4 H ARG 4 23.767 2.330 6.988 740 HA ARG 4 HA ARG 4 20.858 2.174 6.740 741 1HB ARG 4 2HB ARG 4 22.740 4.272 7.768 742 2HB ARG 4 1HB ARG 4 21.092 4.696 7.327 743 1HG ARG 4 2HG ARG 4 21.343 4.246 9.724 744 2HG ARG 4 1HG ARG 4 20.211 3.142 8.944 745 1HD ARG 4 2HD ARG 4 21.970 1.439 8.821 746 2HD ARG 4 1HD ARG 4 23.087 2.542 9.625 747 HE ARG 4 HE ARG 4 21.165 0.888 10.870 748 1HH1 ARG 4 1HH1 ARG 4 22.612 4.056 11.113 749 2HH1 ARG 4 2HH1 ARG 4 22.267 4.221 12.802 750 1HH2 ARG 4 1HH2 ARG 4 20.719 1.101 13.092 751 2HH2 ARG 4 2HH2 ARG 4 21.195 2.542 13.926 752 H LYS 5 H LYS 5 22.440 1.737 4.410 753 HA LYS 5 HA LYS 5 22.784 3.941 2.771 754 1HB LYS 5 2HB LYS 5 22.643 2.418 0.869 755 2HB LYS 5 1HB LYS 5 23.610 1.729 2.162 756 1HG LYS 5 2HG LYS 5 20.721 1.026 1.708 757 2HG LYS 5 1HG LYS 5 22.067 0.144 0.985 758 1HD LYS 5 2HD LYS 5 22.933 -0.090 3.398 759 2HD LYS 5 1HD LYS 5 21.299 0.374 3.876 760 1HE LYS 5 2HE LYS 5 21.553 -2.054 3.815 761 2HE LYS 5 1HE LYS 5 20.384 -1.501 2.622 762 1HZ LYS 5 1HZ LYS 5 22.348 -3.196 2.070 763 2HZ LYS 5 2HZ LYS 5 23.126 -1.740 1.696 764 3HZ LYS 5 3HZ LYS 5 21.681 -2.150 0.919 765 H ALA 6 H ALA 6 19.846 2.289 3.660 766 HA ALA 6 HA ALA 6 18.107 3.081 1.653 767 1HB ALA 6 1HB ALA 6 16.372 2.561 3.097 768 2HB ALA 6 2HB ALA 6 17.237 3.153 4.513 769 3HB ALA 6 3HB ALA 6 17.709 1.627 3.767 770 H VAL 7 H VAL 7 17.349 5.008 0.971 771 HA VAL 7 HA VAL 7 18.051 7.377 2.494 772 HB VAL 7 HB VAL 7 17.278 8.606 0.509 773 1HG1 VAL 7 1HG1 VAL 7 19.641 7.698 0.872 774 2HG1 VAL 7 2HG1 VAL 7 19.208 8.212 -0.759 775 3HG1 VAL 7 3HG1 VAL 7 19.226 6.496 -0.350 776 1HG2 VAL 7 1HG2 VAL 7 17.232 6.200 -1.176 777 2HG2 VAL 7 2HG2 VAL 7 16.263 7.671 -1.271 778 3HG2 VAL 7 3HG2 VAL 7 15.841 6.409 -0.114 779 H ILE 8 H ILE 8 16.647 8.738 3.421 780 HA ILE 8 HA ILE 8 13.943 7.797 3.830 781 HB ILE 8 HB ILE 8 15.428 10.160 4.979 782 1HG1 ILE 8 2HG1 ILE 8 15.294 8.847 7.076 783 2HG1 ILE 8 1HG1 ILE 8 14.529 7.534 6.187 784 1HG2 ILE 8 1HG2 ILE 8 13.516 10.379 6.534 785 2HG2 ILE 8 2HG2 ILE 8 12.634 9.198 5.565 786 3HG2 ILE 8 3HG2 ILE 8 13.096 10.747 4.861 787 1HD1 ILE 8 1HD1 ILE 8 16.489 7.023 5.035 788 2HD1 ILE 8 2HD1 ILE 8 17.014 7.348 6.686 789 3HD1 ILE 8 3HD1 ILE 8 17.234 8.571 5.434 790 H LYS 9 H LYS 9 12.171 8.509 2.846 791 HA LYS 9 HA LYS 9 12.423 10.564 0.819 792 1HB LYS 9 2HB LYS 9 10.058 8.835 1.568 793 2HB LYS 9 1HB LYS 9 10.140 9.899 0.173 794 1HG LYS 9 2HG LYS 9 12.164 7.730 0.515 795 2HG LYS 9 1HG LYS 9 10.556 7.358 -0.106 796 1HD LYS 9 2HD LYS 9 12.015 7.720 -1.970 797 2HD LYS 9 1HD LYS 9 10.905 9.085 -1.866 798 1HE LYS 9 2HE LYS 9 13.234 9.752 -2.354 799 2HE LYS 9 1HE LYS 9 12.610 10.458 -0.867 800 1HZ LYS 9 1HZ LYS 9 14.341 8.048 -1.003 801 2HZ LYS 9 2HZ LYS 9 13.815 8.825 0.404 802 3HZ LYS 9 3HZ LYS 9 14.888 9.609 -0.643 803 H ASN 10 H ASN 10 10.602 10.025 3.813 804 HA ASN 10 HA ASN 10 10.471 12.798 4.391 805 1HB ASN 10 2HB ASN 10 8.788 12.784 2.608 806 2HB ASN 10 1HB ASN 10 7.898 11.516 3.444 807 1HD2 ASN 10 1HD2 ASN 10 6.190 12.230 4.466 808 2HD2 ASN 10 2HD2 ASN 10 6.016 13.775 5.220 809 H ALA 11 H ALA 11 11.436 11.240 6.108 810 HA ALA 11 HA ALA 11 9.887 9.616 7.733 811 1HB ALA 11 1HB ALA 11 12.213 9.554 8.054 812 2HB ALA 11 2HB ALA 11 11.565 10.249 9.540 813 3HB ALA 11 3HB ALA 11 12.307 11.294 8.328 814 H ASP 12 H ASP 12 8.685 9.939 9.606 815 HA ASP 12 HA ASP 12 8.271 12.593 10.650 816 1HB ASP 12 2HB ASP 12 6.033 11.150 9.231 817 2HB ASP 12 1HB ASP 12 5.812 12.565 10.256 818 H MET 13 H MET 13 9.318 10.899 12.207 819 HA MET 13 HA MET 13 7.453 10.438 14.269 820 1HB MET 13 2HB MET 13 7.552 7.968 14.346 821 2HB MET 13 1HB MET 13 6.722 8.568 12.918 822 1HG MET 13 2HG MET 13 8.788 8.220 11.615 823 2HG MET 13 1HG MET 13 9.539 7.523 13.050 824 1HE MET 13 1HE MET 13 8.253 5.905 14.456 825 2HE MET 13 2HE MET 13 7.926 4.329 13.736 826 3HE MET 13 3HE MET 13 6.606 5.467 14.004 827 H SER 14 H SER 14 8.605 8.638 15.857 828 HA SER 14 HA SER 14 10.814 9.914 16.927 829 1HB SER 14 2HB SER 14 10.042 7.000 17.207 830 2HB SER 14 1HB SER 14 11.157 7.866 18.266 831 HG SER 14 HG SER 14 8.692 7.658 18.722 832 H GLU 15 H GLU 15 12.981 9.778 16.703 833 HA GLU 15 HA GLU 15 14.128 8.947 14.308 834 1HB GLU 15 2HB GLU 15 16.293 9.286 15.415 835 2HB GLU 15 1HB GLU 15 15.176 10.604 15.745 836 1HG GLU 15 2HG GLU 15 14.685 9.634 17.936 837 2HG GLU 15 1HG GLU 15 15.818 8.324 17.603 838 H GLU 16 H GLU 16 14.060 7.315 17.438 839 HA GLU 16 HA GLU 16 15.674 5.141 16.784 840 1HB GLU 16 2HB GLU 16 14.579 3.974 18.653 841 2HB GLU 16 1HB GLU 16 15.032 5.620 19.077 842 1HG GLU 16 2HG GLU 16 12.722 6.342 18.727 843 2HG GLU 16 1HG GLU 16 12.273 4.687 18.316 844 H MET 17 H MET 17 12.162 5.499 16.476 845 HA MET 17 HA MET 17 11.678 2.898 15.547 846 1HB MET 17 2HB MET 17 10.113 5.422 14.990 847 2HB MET 17 1HB MET 17 9.528 3.783 14.740 848 1HG MET 17 2HG MET 17 9.703 3.340 17.126 849 2HG MET 17 1HG MET 17 10.320 4.972 17.388 850 1HE MET 17 1HE MET 17 7.217 3.850 18.895 851 2HE MET 17 2HE MET 17 7.118 5.603 19.068 852 3HE MET 17 3HE MET 17 8.677 4.789 19.210 853 H GLN 18 H GLN 18 12.257 5.913 13.768 854 HA GLN 18 HA GLN 18 11.983 4.728 11.218 855 1HB GLN 18 2HB GLN 18 13.136 6.774 10.382 856 2HB GLN 18 1HB GLN 18 11.735 7.091 11.394 857 1HG GLN 18 2HG GLN 18 13.264 7.485 13.300 858 2HG GLN 18 1HG GLN 18 14.625 7.290 12.198 859 1HE2 GLN 18 1HE2 GLN 18 12.413 9.430 13.520 860 2HE2 GLN 18 2HE2 GLN 18 12.720 10.783 12.497 861 H GLN 19 H GLN 19 14.785 5.202 13.324 862 HA GLN 19 HA GLN 19 16.638 4.317 11.329 863 1HB GLN 19 2HB GLN 19 18.297 4.302 13.097 864 2HB GLN 19 1HB GLN 19 17.335 5.770 13.191 865 1HG GLN 19 2HG GLN 19 16.082 4.882 15.037 866 2HG GLN 19 1HG GLN 19 16.914 3.336 14.904 867 1HE2 GLN 19 1HE2 GLN 19 16.927 6.389 16.333 868 2HE2 GLN 19 2HE2 GLN 19 18.499 6.324 17.044 869 H ASP 20 H ASP 20 14.822 2.775 13.916 870 HA ASP 20 HA ASP 20 16.162 0.266 13.744 871 1HB ASP 20 2HB ASP 20 13.440 0.989 14.849 872 2HB ASP 20 1HB ASP 20 14.185 -0.598 15.012 873 H SER 21 H SER 21 13.358 1.664 12.154 874 HA SER 21 HA SER 21 12.478 -0.744 10.932 875 1HB SER 21 2HB SER 21 11.151 0.717 9.461 876 2HB SER 21 1HB SER 21 11.008 1.225 11.143 877 HG SER 21 HG SER 21 12.825 2.714 10.544 878 H VAL 22 H VAL 22 14.626 1.871 9.923 879 HA VAL 22 HA VAL 22 15.095 0.945 7.303 880 HB VAL 22 HB VAL 22 16.947 2.554 9.068 881 1HG1 VAL 22 1HG1 VAL 22 17.719 3.425 6.804 882 2HG1 VAL 22 2HG1 VAL 22 16.902 2.022 6.112 883 3HG1 VAL 22 3HG1 VAL 22 18.228 1.797 7.255 884 1HG2 VAL 22 1HG2 VAL 22 15.778 4.426 8.602 885 2HG2 VAL 22 2HG2 VAL 22 14.447 3.291 8.375 886 3HG2 VAL 22 3HG2 VAL 22 15.348 3.883 6.980 887 H GLU 23 H GLU 23 16.908 0.493 10.315 888 HA GLU 23 HA GLU 23 18.896 -1.178 9.208 889 1HB GLU 23 2HB GLU 23 19.029 0.081 11.389 890 2HB GLU 23 1HB GLU 23 17.940 -1.116 12.074 891 1HG GLU 23 2HG GLU 23 20.629 -1.724 10.884 892 2HG GLU 23 1HG GLU 23 20.310 -1.512 12.603 893 H CYS 24 H CYS 24 15.848 -1.792 10.867 894 HA CYS 24 HA CYS 24 16.046 -4.607 10.926 895 1HB CYS 24 2HB CYS 24 14.479 -3.369 12.350 896 2HB CYS 24 1HB CYS 24 13.580 -2.854 10.927 897 HG CYS 24 HG CYS 24 13.704 -5.858 11.730 898 H ALA 25 H ALA 25 14.814 -2.349 8.526 899 HA ALA 25 HA ALA 25 13.577 -4.284 6.865 900 1HB ALA 25 1HB ALA 25 13.171 -1.790 6.817 901 2HB ALA 25 2HB ALA 25 13.395 -2.554 5.242 902 3HB ALA 25 3HB ALA 25 14.712 -1.637 5.973 903 H THR 26 H THR 26 16.737 -2.707 6.911 904 HA THR 26 HA THR 26 17.819 -3.816 4.629 905 HB THR 26 HB THR 26 19.220 -3.157 7.222 906 HG1 THR 26 1HG THR 26 18.104 -1.399 6.272 907 1HG2 THR 26 1HG2 THR 26 21.162 -2.678 5.660 908 2HG2 THR 26 2HG2 THR 26 20.301 -3.663 4.476 909 3HG2 THR 26 3HG2 THR 26 20.806 -4.371 6.010 910 H GLN 27 H GLN 27 17.650 -5.080 7.902 911 HA GLN 27 HA GLN 27 19.184 -7.391 7.558 912 1HB GLN 27 2HB GLN 27 18.407 -6.489 9.746 913 2HB GLN 27 1HB GLN 27 16.774 -7.012 9.345 914 1HG GLN 27 2HG GLN 27 17.516 -9.319 9.280 915 2HG GLN 27 1HG GLN 27 19.161 -8.814 9.648 916 1HE2 GLN 27 1HE2 GLN 27 16.457 -10.087 10.948 917 2HE2 GLN 27 2HE2 GLN 27 16.663 -9.615 12.596 918 H ALA 28 H ALA 28 15.740 -6.761 7.087 919 HA ALA 28 HA ALA 28 14.882 -9.345 6.531 920 1HB ALA 28 1HB ALA 28 13.916 -6.643 5.703 921 2HB ALA 28 2HB ALA 28 13.165 -7.823 6.777 922 3HB ALA 28 3HB ALA 28 13.170 -8.092 5.035 923 H LEU 29 H LEU 29 16.222 -6.906 4.307 924 HA LEU 29 HA LEU 29 15.898 -8.398 1.959 925 1HB LEU 29 2HB LEU 29 17.883 -6.257 2.684 926 2HB LEU 29 1HB LEU 29 17.821 -6.982 1.090 927 HG LEU 29 HG LEU 29 15.420 -6.218 0.949 928 1HD1 LEU 29 1HD1 LEU 29 14.811 -4.332 2.435 929 2HD1 LEU 29 2HD1 LEU 29 16.226 -4.707 3.419 930 3HD1 LEU 29 3HD1 LEU 29 14.922 -5.884 3.264 931 1HD2 LEU 29 1HD2 LEU 29 17.582 -5.040 0.082 932 2HD2 LEU 29 2HD2 LEU 29 17.188 -3.846 1.319 933 3HD2 LEU 29 3HD2 LEU 29 16.032 -4.200 0.035 934 H GLU 30 H GLU 30 18.689 -8.155 4.139 935 HA GLU 30 HA GLU 30 20.317 -9.937 2.653 936 1HB GLU 30 2HB GLU 30 21.734 -10.003 4.676 937 2HB GLU 30 1HB GLU 30 21.314 -8.365 4.195 938 1HG GLU 30 2HG GLU 30 19.620 -8.267 5.923 939 2HG GLU 30 1HG GLU 30 19.977 -9.930 6.389 940 H LYS 31 H LYS 31 17.919 -10.427 5.147 941 HA LYS 31 HA LYS 31 18.682 -13.146 5.658 942 1HB LYS 31 2HB LYS 31 16.284 -11.515 6.484 943 2HB LYS 31 1HB LYS 31 16.501 -13.200 6.934 944 1HG LYS 31 2HG LYS 31 18.595 -12.612 8.072 945 2HG LYS 31 1HG LYS 31 18.330 -10.919 7.654 946 1HD LYS 31 2HD LYS 31 17.615 -11.379 9.942 947 2HD LYS 31 1HD LYS 31 16.242 -10.932 8.929 948 1HE LYS 31 2HE LYS 31 15.640 -13.282 8.689 949 2HE LYS 31 1HE LYS 31 17.035 -13.749 9.661 950 1HZ LYS 31 1HZ LYS 31 14.483 -12.637 10.491 951 2HZ LYS 31 2HZ LYS 31 15.840 -12.051 11.314 952 3HZ LYS 31 3HZ LYS 31 15.512 -13.710 11.299 953 H TYR 32 H TYR 32 16.489 -11.518 3.482 954 HA TYR 32 HA TYR 32 15.877 -14.111 2.309 955 1HB TYR 32 2HB TYR 32 13.707 -12.148 3.052 956 2HB TYR 32 1HB TYR 32 13.482 -13.706 2.263 957 HD1 TYR 32 1HD TYR 32 14.354 -15.787 3.599 958 HD2 TYR 32 2HD TYR 32 13.524 -12.003 5.348 959 HE1 TYR 32 1HE TYR 32 14.136 -16.860 5.802 960 HE2 TYR 32 2HE TYR 32 13.290 -13.058 7.558 961 HH TYR 32 HH TYR 32 12.650 -15.636 8.304 962 H ASN 33 H ASN 33 15.482 -10.594 2.049 963 HA ASN 33 HA ASN 33 15.692 -9.188 0.269 964 1HB ASN 33 2HB ASN 33 17.673 -10.516 -0.359 965 2HB ASN 33 1HB ASN 33 16.640 -11.631 -1.246 966 1HD2 ASN 33 1HD2 ASN 33 16.648 -11.315 -3.337 967 2HD2 ASN 33 2HD2 ASN 33 16.846 -9.801 -4.145 968 H ILE 34 H ILE 34 13.204 -9.931 0.826 969 HA ILE 34 HA ILE 34 11.977 -10.181 -1.833 970 HB ILE 34 HB ILE 34 10.941 -11.567 0.646 971 1HG1 ILE 34 2HG1 ILE 34 12.189 -12.704 -1.867 972 2HG1 ILE 34 1HG1 ILE 34 12.931 -12.677 -0.270 973 1HG2 ILE 34 1HG2 ILE 34 9.401 -12.636 -1.082 974 2HG2 ILE 34 2HG2 ILE 34 9.889 -11.324 -2.156 975 3HG2 ILE 34 3HG2 ILE 34 9.071 -10.962 -0.636 976 1HD1 ILE 34 1HD1 ILE 34 10.593 -14.291 -1.216 977 2HD1 ILE 34 2HD1 ILE 34 10.932 -14.051 0.496 978 3HD1 ILE 34 3HD1 ILE 34 12.120 -14.849 -0.534 979 H GLU 35 H GLU 35 10.605 -8.586 -2.243 980 HA GLU 35 HA GLU 35 10.208 -6.397 -0.634 981 1HB GLU 35 2HB GLU 35 8.326 -7.412 -2.770 982 2HB GLU 35 1HB GLU 35 8.402 -5.764 -2.158 983 1HG GLU 35 2HG GLU 35 10.659 -5.526 -3.029 984 2HG GLU 35 1HG GLU 35 10.624 -7.191 -3.606 985 H LYS 36 H LYS 36 7.987 -9.145 -1.050 986 HA LYS 36 HA LYS 36 5.976 -8.163 0.669 987 1HB LYS 36 2HB LYS 36 5.574 -9.931 -0.976 988 2HB LYS 36 1HB LYS 36 6.643 -11.011 -0.091 989 1HG LYS 36 2HG LYS 36 5.070 -10.742 1.872 990 2HG LYS 36 1HG LYS 36 3.956 -9.961 0.747 991 1HD LYS 36 2HD LYS 36 3.383 -12.292 0.935 992 2HD LYS 36 1HD LYS 36 4.042 -11.985 -0.673 993 1HE LYS 36 2HE LYS 36 6.190 -12.885 0.010 994 2HE LYS 36 1HE LYS 36 5.592 -13.123 1.651 995 1HZ LYS 36 1HZ LYS 36 4.779 -15.081 1.064 996 2HZ LYS 36 2HZ LYS 36 5.456 -14.899 -0.475 997 3HZ LYS 36 3HZ LYS 36 3.867 -14.395 -0.187 998 H ASP 37 H ASP 37 8.419 -10.684 1.242 999 HA ASP 37 HA ASP 37 7.850 -11.230 3.884 1000 1HB ASP 37 2HB ASP 37 10.562 -11.282 2.552 1001 2HB ASP 37 1HB ASP 37 10.136 -12.110 4.045 1002 H ILE 38 H ILE 38 10.093 -8.761 2.633 1003 HA ILE 38 HA ILE 38 11.287 -7.909 4.941 1004 HB ILE 38 HB ILE 38 10.313 -6.237 2.627 1005 1HG1 ILE 38 2HG1 ILE 38 13.111 -7.126 3.330 1006 2HG1 ILE 38 1HG1 ILE 38 12.060 -8.027 2.249 1007 1HG2 ILE 38 1HG2 ILE 38 10.547 -4.734 4.477 1008 2HG2 ILE 38 2HG2 ILE 38 11.947 -4.531 3.422 1009 3HG2 ILE 38 3HG2 ILE 38 12.099 -5.447 4.922 1010 1HD1 ILE 38 1HD1 ILE 38 13.517 -6.716 0.918 1011 2HD1 ILE 38 2HD1 ILE 38 13.165 -5.264 1.855 1012 3HD1 ILE 38 3HD1 ILE 38 11.920 -5.976 0.828 1013 H ALA 39 H ALA 39 8.132 -6.832 3.718 1014 HA ALA 39 HA ALA 39 7.554 -5.019 5.767 1015 1HB ALA 39 1HB ALA 39 5.174 -6.336 4.806 1016 2HB ALA 39 2HB ALA 39 6.272 -5.957 3.479 1017 3HB ALA 39 3HB ALA 39 5.720 -4.677 4.559 1018 H ALA 40 H ALA 40 7.037 -8.503 5.544 1019 HA ALA 40 HA ALA 40 5.398 -8.780 7.811 1020 1HB ALA 40 1HB ALA 40 6.335 -11.180 7.770 1021 2HB ALA 40 2HB ALA 40 7.152 -10.668 6.293 1022 3HB ALA 40 3HB ALA 40 5.393 -10.612 6.393 1023 H HIS 41 H HIS 41 8.928 -9.159 7.485 1024 HA HIS 41 HA HIS 41 9.460 -9.881 10.125 1025 1HB HIS 41 2HB HIS 41 11.278 -8.195 8.406 1026 2HB HIS 41 1HB HIS 41 11.737 -9.321 9.684 1027 HD1 HIS 41 1HD HIS 41 10.431 -11.863 8.992 1028 HD2 HIS 41 2HD HIS 41 11.956 -9.337 6.072 1029 HE1 HIS 41 1HE HIS 41 10.765 -13.309 6.963 1030 HE2 HIS 41 2HE HIS 41 11.596 -11.736 5.179 1031 H ILE 42 H ILE 42 9.518 -6.654 8.626 1032 HA ILE 42 HA ILE 42 10.064 -5.256 11.034 1033 HB ILE 42 HB ILE 42 8.809 -4.258 8.471 1034 1HG1 ILE 42 2HG1 ILE 42 11.667 -4.184 9.457 1035 2HG1 ILE 42 1HG1 ILE 42 11.049 -5.190 8.152 1036 1HG2 ILE 42 1HG2 ILE 42 8.362 -2.806 10.434 1037 2HG2 ILE 42 2HG2 ILE 42 9.360 -2.032 9.202 1038 3HG2 ILE 42 3HG2 ILE 42 10.103 -2.658 10.674 1039 1HD1 ILE 42 1HD1 ILE 42 11.858 -2.396 8.145 1040 2HD1 ILE 42 2HD1 ILE 42 10.310 -2.685 7.354 1041 3HD1 ILE 42 3HD1 ILE 42 11.749 -3.551 6.817 1042 H LYS 43 H LYS 43 7.120 -6.268 9.428 1043 HA LYS 43 HA LYS 43 5.245 -4.705 10.771 1044 1HB LYS 43 2HB LYS 43 4.651 -6.037 8.842 1045 2HB LYS 43 1HB LYS 43 5.032 -7.522 9.697 1046 1HG LYS 43 2HG LYS 43 2.655 -7.260 9.583 1047 2HG LYS 43 1HG LYS 43 3.174 -7.052 11.258 1048 1HD LYS 43 2HD LYS 43 2.966 -4.669 11.090 1049 2HD LYS 43 1HD LYS 43 2.664 -4.771 9.354 1050 1HE LYS 43 2HE LYS 43 0.598 -4.401 10.637 1051 2HE LYS 43 1HE LYS 43 0.572 -5.924 9.751 1052 1HZ LYS 43 1HZ LYS 43 0.240 -7.008 11.636 1053 2HZ LYS 43 2HZ LYS 43 0.149 -5.536 12.464 1054 3HZ LYS 43 3HZ LYS 43 1.631 -6.342 12.334 1055 H LYS 44 H LYS 44 5.846 -8.144 11.483 1056 HA LYS 44 HA LYS 44 4.548 -8.158 13.945 1057 1HB LYS 44 2HB LYS 44 6.798 -9.941 13.007 1058 2HB LYS 44 1HB LYS 44 5.726 -10.280 14.359 1059 1HG LYS 44 2HG LYS 44 3.819 -10.346 12.840 1060 2HG LYS 44 1HG LYS 44 4.889 -9.998 11.481 1061 1HD LYS 44 2HD LYS 44 6.114 -12.075 11.918 1062 2HD LYS 44 1HD LYS 44 5.036 -12.422 13.271 1063 1HE LYS 44 2HE LYS 44 4.224 -12.158 10.378 1064 2HE LYS 44 1HE LYS 44 4.385 -13.669 11.273 1065 1HZ LYS 44 1HZ LYS 44 2.461 -11.489 11.880 1066 2HZ LYS 44 2HZ LYS 44 2.621 -12.926 12.757 1067 3HZ LYS 44 3HZ LYS 44 2.084 -12.970 11.154 1068 H GLU 45 H GLU 45 8.001 -7.680 13.244 1069 HA GLU 45 HA GLU 45 8.991 -7.722 15.821 1070 1HB GLU 45 2HB GLU 45 10.422 -7.592 13.849 1071 2HB GLU 45 1HB GLU 45 9.860 -5.959 13.525 1072 1HG GLU 45 2HG GLU 45 12.054 -5.924 14.538 1073 2HG GLU 45 1HG GLU 45 10.865 -5.193 15.614 1074 H PHE 46 H PHE 46 7.693 -4.905 14.065 1075 HA PHE 46 HA PHE 46 8.037 -3.160 16.299 1076 1HB PHE 46 2HB PHE 46 6.630 -2.872 13.660 1077 2HB PHE 46 1HB PHE 46 6.578 -1.608 14.884 1078 HD1 PHE 46 1HD PHE 46 9.220 -3.829 13.444 1079 HD2 PHE 46 2HD PHE 46 8.012 0.116 14.475 1080 HE1 PHE 46 1HE PHE 46 11.384 -2.965 12.656 1081 HE2 PHE 46 2HE PHE 46 10.172 0.989 13.686 1082 HZ PHE 46 HZ PHE 46 11.861 -0.553 12.779 1083 H ASP 47 H ASP 47 5.255 -4.851 14.907 1084 HA ASP 47 HA ASP 47 3.274 -3.717 16.517 1085 1HB ASP 47 2HB ASP 47 3.440 -6.481 15.304 1086 2HB ASP 47 1HB ASP 47 1.995 -5.835 16.077 1087 H LYS 48 H LYS 48 5.413 -6.448 17.103 1088 HA LYS 48 HA LYS 48 4.211 -7.189 19.577 1089 1HB LYS 48 2HB LYS 48 5.379 -8.841 18.277 1090 2HB LYS 48 1HB LYS 48 6.854 -7.885 18.302 1091 1HG LYS 48 2HG LYS 48 6.988 -9.764 19.828 1092 2HG LYS 48 1HG LYS 48 7.057 -8.229 20.695 1093 1HD LYS 48 2HD LYS 48 5.614 -9.825 21.852 1094 2HD LYS 48 1HD LYS 48 4.688 -8.441 21.267 1095 1HE LYS 48 2HE LYS 48 3.957 -9.753 19.334 1096 2HE LYS 48 1HE LYS 48 4.884 -11.134 19.918 1097 1HZ LYS 48 1HZ LYS 48 3.360 -11.604 21.493 1098 2HZ LYS 48 2HZ LYS 48 2.313 -10.783 20.449 1099 3HZ LYS 48 3HZ LYS 48 2.972 -9.981 21.785 1100 H LYS 49 H LYS 49 7.039 -5.282 18.672 1101 HA LYS 49 HA LYS 49 7.897 -4.878 21.377 1102 1HB LYS 49 2HB LYS 49 8.720 -3.590 18.782 1103 2HB LYS 49 1HB LYS 49 9.473 -3.236 20.329 1104 1HG LYS 49 2HG LYS 49 9.391 -5.935 18.999 1105 2HG LYS 49 1HG LYS 49 10.773 -4.837 19.030 1106 1HD LYS 49 2HD LYS 49 10.747 -4.957 21.506 1107 2HD LYS 49 1HD LYS 49 9.458 -6.158 21.401 1108 1HE LYS 49 2HE LYS 49 10.942 -7.623 20.108 1109 2HE LYS 49 1HE LYS 49 12.228 -6.424 20.237 1110 1HZ LYS 49 1HZ LYS 49 11.943 -8.452 21.926 1111 2HZ LYS 49 2HZ LYS 49 11.035 -7.282 22.743 1112 3HZ LYS 49 3HZ LYS 49 12.656 -6.980 22.362 1113 H TYR 50 H TYR 50 7.077 -2.442 18.960 1114 HA TYR 50 HA TYR 50 6.478 -0.512 20.984 1115 1HB TYR 50 2HB TYR 50 6.004 -0.220 18.025 1116 2HB TYR 50 1HB TYR 50 6.297 1.054 19.210 1117 HD1 TYR 50 1HD TYR 50 8.575 -0.023 20.706 1118 HD2 TYR 50 2HD TYR 50 7.798 -0.076 16.524 1119 HE1 TYR 50 1HE TYR 50 10.986 -0.186 20.268 1120 HE2 TYR 50 2HE TYR 50 10.212 -0.233 16.075 1121 HH TYR 50 HH TYR 50 12.272 -1.073 17.350 1122 H ASN 51 H ASN 51 4.600 -2.863 19.428 1123 HA ASN 51 HA ASN 51 2.412 -3.414 19.969 1124 1HB ASN 51 2HB ASN 51 1.947 -0.508 20.672 1125 2HB ASN 51 1HB ASN 51 0.853 -1.854 20.959 1126 1HD2 ASN 51 1HD2 ASN 51 2.961 0.137 22.417 1127 2HD2 ASN 51 2HD2 ASN 51 3.450 -0.855 23.746 1128 HA PRO 52 HA PRO 52 0.972 -2.608 15.914 1129 1HB PRO 52 2HB PRO 52 -1.644 -3.380 16.180 1130 2HB PRO 52 1HB PRO 52 -0.294 -4.508 16.022 1131 1HG PRO 52 2HG PRO 52 -1.715 -3.590 18.491 1132 2HG PRO 52 1HG PRO 52 -1.180 -5.222 18.048 1133 1HD PRO 52 2HD PRO 52 0.206 -3.697 19.773 1134 2HD PRO 52 1HD PRO 52 1.016 -4.797 18.639 1135 H THR 53 H THR 53 -1.451 -0.001 15.399 1136 HA THR 53 HA THR 53 -0.306 -2.569 14.543 1137 HB THR 53 HB THR 53 -2.769 -2.500 14.506 1138 HG1 THR 53 1HG THR 53 -1.661 -2.484 11.897 1139 1HG2 THR 53 1HG2 THR 53 -3.147 -0.896 12.183 1140 2HG2 THR 53 2HG2 THR 53 -2.437 0.079 13.466 1141 3HG2 THR 53 3HG2 THR 53 -3.941 -0.794 13.752 1142 H TRP 54 H TRP 54 1.438 -2.314 13.360 1143 HA TRP 54 HA TRP 54 1.899 0.157 11.916 1144 1HB TRP 54 2HB TRP 54 3.661 -2.273 12.213 1145 2HB TRP 54 1HB TRP 54 4.140 -0.726 11.520 1146 HD1 TRP 54 HD TRP 54 2.596 -1.875 14.895 1147 HE1 TRP 54 1HE TRP 54 3.775 -0.586 16.774 1148 HE3 TRP 54 3HE TRP 54 5.726 0.989 12.050 1149 HZ2 TRP 54 2HZ TRP 54 5.775 1.398 17.022 1150 HZ3 TRP 54 3HZ TRP 54 7.240 2.564 13.184 1151 HH2 TRP 54 HH TRP 54 7.261 2.765 15.620 1152 H HIS 55 H HIS 55 1.377 0.443 9.893 1153 HA HIS 55 HA HIS 55 0.729 -1.840 8.203 1154 1HB HIS 55 2HB HIS 55 0.580 1.093 7.487 1155 2HB HIS 55 1HB HIS 55 -0.258 -0.249 6.713 1156 HD1 HIS 55 1HD HIS 55 -1.673 -1.627 8.915 1157 HD2 HIS 55 2HD HIS 55 -1.275 2.502 8.840 1158 HE1 HIS 55 1HE HIS 55 -3.559 -0.749 10.319 1159 HE2 HIS 55 2HE HIS 55 -3.412 1.753 10.087 1160 H CYS 56 H CYS 56 1.967 -2.464 6.431 1161 HA CYS 56 HA CYS 56 4.265 -0.772 5.765 1162 1HB CYS 56 2HB CYS 56 5.776 -2.761 5.840 1163 2HB CYS 56 1HB CYS 56 5.189 -2.232 7.412 1164 HG CYS 56 HG CYS 56 4.036 -4.387 7.727 1165 H ILE 57 H ILE 57 5.042 -0.925 3.748 1166 HA ILE 57 HA ILE 57 3.966 -2.925 1.904 1167 HB ILE 57 HB ILE 57 3.879 0.026 1.261 1168 1HG1 ILE 57 2HG1 ILE 57 2.236 -0.530 3.023 1169 2HG1 ILE 57 1HG1 ILE 57 1.454 -0.099 1.506 1170 1HG2 ILE 57 1HG2 ILE 57 4.087 -1.175 -0.735 1171 2HG2 ILE 57 2HG2 ILE 57 2.355 -0.883 -0.579 1172 3HG2 ILE 57 3HG2 ILE 57 3.022 -2.463 -0.174 1173 1HD1 ILE 57 1HD1 ILE 57 0.679 -2.168 2.929 1174 2HD1 ILE 57 2HD1 ILE 57 1.978 -2.967 2.044 1175 3HD1 ILE 57 3HD1 ILE 57 0.656 -2.201 1.166 1176 H VAL 58 H VAL 58 5.305 -3.229 0.038 1177 HA VAL 58 HA VAL 58 7.700 -1.612 -0.230 1178 HB VAL 58 HB VAL 58 7.926 -4.561 0.399 1179 1HG1 VAL 58 1HG1 VAL 58 10.315 -4.245 0.295 1180 2HG1 VAL 58 2HG1 VAL 58 10.107 -2.525 -0.037 1181 3HG1 VAL 58 3HG1 VAL 58 9.591 -3.720 -1.225 1182 1HG2 VAL 58 1HG2 VAL 58 7.425 -3.375 2.416 1183 2HG2 VAL 58 2HG2 VAL 58 8.609 -2.124 2.035 1184 3HG2 VAL 58 3HG2 VAL 58 9.147 -3.759 2.422 1185 H GLY 59 H GLY 59 8.344 -1.501 -2.292 1186 1HA GLY 59 2HA GLY 59 8.181 -3.619 -4.158 1187 2HA GLY 59 1HA GLY 59 6.811 -2.543 -4.378 1188 H ARG 60 H ARG 60 7.253 -1.479 -6.215 1189 HA ARG 60 HA ARG 60 9.167 0.578 -6.262 1190 1HB ARG 60 2HB ARG 60 10.711 -0.262 -7.977 1191 2HB ARG 60 1HB ARG 60 10.790 -1.229 -6.510 1192 1HG ARG 60 2HG ARG 60 9.401 -2.940 -7.548 1193 2HG ARG 60 1HG ARG 60 9.292 -1.967 -9.016 1194 1HD ARG 60 2HD ARG 60 11.721 -2.114 -9.288 1195 2HD ARG 60 1HD ARG 60 11.826 -3.088 -7.822 1196 HE ARG 60 HE ARG 60 10.039 -4.335 -9.573 1197 1HH1 ARG 60 1HH1 ARG 60 13.443 -3.590 -9.368 1198 2HH1 ARG 60 2HH1 ARG 60 13.925 -4.955 -10.318 1199 1HH2 ARG 60 1HH2 ARG 60 10.673 -6.129 -10.820 1200 2HH2 ARG 60 2HH2 ARG 60 12.353 -6.397 -11.142 1201 H ASN 61 H ASN 61 6.433 0.231 -6.853 1202 HA ASN 61 HA ASN 61 5.947 1.836 -8.964 1203 1HB ASN 61 2HB ASN 61 7.008 0.027 -10.356 1204 2HB ASN 61 1HB ASN 61 5.665 -1.018 -9.910 1205 1HD2 ASN 61 1HD2 ASN 61 6.726 1.627 -11.774 1206 2HD2 ASN 61 2HD2 ASN 61 5.297 1.831 -12.730 1207 H PHE 62 H PHE 62 4.419 2.315 -7.232 1208 HA PHE 62 HA PHE 62 1.827 1.318 -7.743 1209 1HB PHE 62 2HB PHE 62 1.374 0.044 -5.741 1210 2HB PHE 62 1HB PHE 62 2.742 -0.674 -6.585 1211 HD1 PHE 62 1HD PHE 62 5.085 -0.009 -5.771 1212 HD2 PHE 62 2HD PHE 62 1.547 0.586 -3.495 1213 HE1 PHE 62 1HE PHE 62 6.441 0.162 -3.724 1214 HE2 PHE 62 2HE PHE 62 2.891 0.757 -1.441 1215 HZ PHE 62 HZ PHE 62 5.343 0.545 -1.553 1216 H GLY 63 H GLY 63 0.274 2.551 -6.888 1217 1HA GLY 63 2HA GLY 63 1.114 4.835 -5.247 1218 2HA GLY 63 1HA GLY 63 -0.399 4.701 -6.136 1219 H SER 64 H SER 64 0.276 5.253 -3.181 1220 HA SER 64 HA SER 64 -1.727 3.373 -2.172 1221 1HB SER 64 2HB SER 64 0.391 2.308 -1.638 1222 2HB SER 64 1HB SER 64 0.964 3.781 -0.860 1223 HG SER 64 HG SER 64 0.152 2.274 0.655 1224 H TYR 65 H TYR 65 -2.919 4.017 -0.452 1225 HA TYR 65 HA TYR 65 -2.422 6.634 0.747 1226 1HB TYR 65 2HB TYR 65 -4.852 5.852 -0.818 1227 2HB TYR 65 1HB TYR 65 -5.018 6.953 0.545 1228 HD1 TYR 65 1HD TYR 65 -2.916 6.513 -2.516 1229 HD2 TYR 65 2HD TYR 65 -4.851 9.208 0.143 1230 HE1 TYR 65 1HE TYR 65 -2.244 8.396 -3.943 1231 HE2 TYR 65 2HE TYR 65 -4.188 11.100 -1.274 1232 HH TYR 65 HH TYR 65 -3.337 10.925 -4.292 1233 H VAL 66 H VAL 66 -2.940 6.734 2.874 1234 HA VAL 66 HA VAL 66 -4.731 4.812 4.111 1235 HB VAL 66 HB VAL 66 -1.853 4.881 4.997 1236 1HG1 VAL 66 1HG1 VAL 66 -2.406 2.964 6.337 1237 2HG1 VAL 66 2HG1 VAL 66 -4.029 2.913 5.657 1238 3HG1 VAL 66 3HG1 VAL 66 -3.546 4.259 6.686 1239 1HG2 VAL 66 1HG2 VAL 66 -1.661 2.595 4.006 1240 2HG2 VAL 66 2HG2 VAL 66 -1.824 3.886 2.817 1241 3HG2 VAL 66 3HG2 VAL 66 -3.209 2.867 3.210 1242 H THR 67 H THR 67 -5.080 5.312 6.405 1243 HA THR 67 HA THR 67 -4.384 8.114 7.025 1244 HB THR 67 HB THR 67 -6.637 6.396 8.111 1245 HG1 THR 67 1HG THR 67 -6.870 7.180 5.928 1246 1HG2 THR 67 1HG2 THR 67 -7.473 8.709 8.867 1247 2HG2 THR 67 2HG2 THR 67 -5.777 9.178 8.763 1248 3HG2 THR 67 3HG2 THR 67 -6.267 7.874 9.844 1249 H HIS 68 H HIS 68 -3.707 8.629 9.199 1250 HA HIS 68 HA HIS 68 -3.140 6.556 11.088 1251 1HB HIS 68 2HB HIS 68 -0.647 6.735 10.874 1252 2HB HIS 68 1HB HIS 68 -1.439 5.960 9.501 1253 HD1 HIS 68 1HD HIS 68 0.008 9.319 10.486 1254 HD2 HIS 68 2HD HIS 68 -0.988 7.153 7.084 1255 HE1 HIS 68 1HE HIS 68 0.807 10.707 8.549 1256 HE2 HIS 68 2HE HIS 68 0.066 9.441 6.502 1257 H GLU 69 H GLU 69 -2.401 7.315 13.052 1258 HA GLU 69 HA GLU 69 -2.931 10.028 13.667 1259 1HB GLU 69 2HB GLU 69 -2.177 9.463 15.920 1260 2HB GLU 69 1HB GLU 69 -3.251 8.219 15.291 1261 1HG GLU 69 2HG GLU 69 -1.319 6.829 14.748 1262 2HG GLU 69 1HG GLU 69 -0.248 8.077 15.383 1263 H THR 70 H THR 70 -1.462 11.571 14.603 1264 HA THR 70 HA THR 70 0.829 12.018 13.049 1265 HB THR 70 HB THR 70 1.301 13.863 14.623 1266 HG1 THR 70 1HG THR 70 -0.728 12.598 16.123 1267 1HG2 THR 70 1HG2 THR 70 -1.599 14.145 14.476 1268 2HG2 THR 70 2HG2 THR 70 -0.831 13.721 12.946 1269 3HG2 THR 70 3HG2 THR 70 -0.318 15.165 13.820 1270 H LYS 71 H LYS 71 3.042 12.207 13.732 1271 HA LYS 71 HA LYS 71 4.976 11.444 14.629 1272 1HB LYS 71 2HB LYS 71 3.238 10.706 16.991 1273 2HB LYS 71 1HB LYS 71 4.994 10.698 16.989 1274 1HG LYS 71 2HG LYS 71 3.534 13.200 16.293 1275 2HG LYS 71 1HG LYS 71 3.689 12.712 17.979 1276 1HD LYS 71 2HD LYS 71 5.472 14.245 17.371 1277 2HD LYS 71 1HD LYS 71 6.129 12.650 17.726 1278 1HE LYS 71 2HE LYS 71 6.391 12.174 15.395 1279 2HE LYS 71 1HE LYS 71 5.539 13.652 14.946 1280 1HZ LYS 71 1HZ LYS 71 7.341 14.927 15.958 1281 2HZ LYS 71 2HZ LYS 71 7.919 13.923 14.725 1282 3HZ LYS 71 3HZ LYS 71 8.157 13.495 16.343 1283 H HIS 72 H HIS 72 3.480 9.774 12.919 1284 HA HIS 72 HA HIS 72 4.811 7.297 13.403 1285 1HB HIS 72 2HB HIS 72 1.806 7.409 13.673 1286 2HB HIS 72 1HB HIS 72 2.676 5.922 13.309 1287 HD1 HIS 72 1HD HIS 72 4.794 5.598 15.202 1288 HD2 HIS 72 2HD HIS 72 1.329 7.596 16.320 1289 HE1 HIS 72 1HE HIS 72 4.747 5.512 17.715 1290 HE2 HIS 72 2HE HIS 72 2.601 6.656 18.365 1291 H PHE 73 H PHE 73 5.555 8.403 11.387 1292 HA PHE 73 HA PHE 73 4.291 7.140 9.110 1293 1HB PHE 73 2HB PHE 73 3.040 9.181 9.100 1294 2HB PHE 73 1HB PHE 73 4.476 10.142 9.409 1295 HD1 PHE 73 1HD PHE 73 6.357 9.882 7.512 1296 HD2 PHE 73 2HD PHE 73 2.197 9.168 6.983 1297 HE1 PHE 73 1HE PHE 73 6.600 10.261 5.095 1298 HE2 PHE 73 2HE PHE 73 2.435 9.552 4.568 1299 HZ PHE 73 HZ PHE 73 4.639 10.096 3.619 1300 H ILE 74 H ILE 74 5.860 6.367 7.816 1301 HA ILE 74 HA ILE 74 8.310 7.860 7.441 1302 HB ILE 74 HB ILE 74 8.827 6.629 9.487 1303 1HG1 ILE 74 2HG1 ILE 74 10.249 5.506 7.062 1304 2HG1 ILE 74 1HG1 ILE 74 10.610 7.048 7.834 1305 1HG2 ILE 74 1HG2 ILE 74 7.477 4.745 9.507 1306 2HG2 ILE 74 2HG2 ILE 74 9.078 4.077 9.186 1307 3HG2 ILE 74 3HG2 ILE 74 7.926 4.282 7.866 1308 1HD1 ILE 74 1HD1 ILE 74 11.083 4.280 8.859 1309 2HD1 ILE 74 2HD1 ILE 74 11.034 5.671 9.941 1310 3HD1 ILE 74 3HD1 ILE 74 12.231 5.602 8.648 1311 H TYR 75 H TYR 75 9.460 7.282 5.652 1312 HA TYR 75 HA TYR 75 8.781 4.944 4.094 1313 1HB TYR 75 2HB TYR 75 7.046 6.743 3.546 1314 2HB TYR 75 1HB TYR 75 8.371 7.668 2.845 1315 HD1 TYR 75 1HD TYR 75 9.889 6.064 1.202 1316 HD2 TYR 75 2HD TYR 75 5.742 5.634 2.031 1317 HE1 TYR 75 1HE TYR 75 9.600 4.849 -0.907 1318 HE2 TYR 75 2HE TYR 75 5.440 4.420 -0.083 1319 HH TYR 75 HH TYR 75 6.937 3.026 -1.630 1320 H PHE 76 H PHE 76 10.539 4.335 2.844 1321 HA PHE 76 HA PHE 76 12.510 6.234 2.002 1322 1HB PHE 76 2HB PHE 76 14.363 5.336 3.385 1323 2HB PHE 76 1HB PHE 76 13.124 6.138 4.340 1324 HD1 PHE 76 1HD PHE 76 14.057 2.737 3.124 1325 HD2 PHE 76 2HD PHE 76 12.344 5.090 6.227 1326 HE1 PHE 76 1HE PHE 76 13.838 0.726 4.523 1327 HE2 PHE 76 2HE PHE 76 12.127 3.085 7.635 1328 HZ PHE 76 HZ PHE 76 12.875 0.898 6.782 1329 H TYR 77 H TYR 77 13.886 5.464 0.476 1330 HA TYR 77 HA TYR 77 13.266 2.902 -0.695 1331 1HB TYR 77 2HB TYR 77 15.247 5.060 -1.447 1332 2HB TYR 77 1HB TYR 77 15.051 3.570 -2.357 1333 HD1 TYR 77 1HD TYR 77 14.790 5.714 -4.005 1334 HD2 TYR 77 2HD TYR 77 11.849 4.308 -1.268 1335 HE1 TYR 77 1HE TYR 77 13.033 6.767 -5.362 1336 HE2 TYR 77 2HE TYR 77 10.085 5.361 -2.622 1337 HH TYR 77 HH TYR 77 10.021 6.046 -5.354 1338 H LEU 78 H LEU 78 14.760 1.168 -0.986 1339 HA LEU 78 HA LEU 78 17.340 1.292 0.289 1340 1HB LEU 78 2HB LEU 78 15.898 0.913 2.219 1341 2HB LEU 78 1HB LEU 78 15.200 -0.493 1.438 1342 HG LEU 78 HG LEU 78 17.288 -1.689 1.579 1343 1HD1 LEU 78 1HD1 LEU 78 19.160 -0.488 1.441 1344 2HD1 LEU 78 2HD1 LEU 78 18.972 -0.191 3.168 1345 3HD1 LEU 78 3HD1 LEU 78 18.360 0.979 2.000 1346 1HD2 LEU 78 1HD2 LEU 78 15.697 -1.093 3.692 1347 2HD2 LEU 78 2HD2 LEU 78 17.272 -0.584 4.301 1348 3HD2 LEU 78 3HD2 LEU 78 17.036 -2.241 3.743 1349 H GLY 79 H GLY 79 18.738 -0.065 -0.614 1350 1HA GLY 79 2HA GLY 79 19.618 -1.743 -1.905 1351 2HA GLY 79 1HA GLY 79 18.122 -2.631 -1.638 1352 H GLN 80 H GLN 80 16.211 -1.667 -2.871 1353 HA GLN 80 HA GLN 80 16.513 -0.178 -5.183 1354 1HB GLN 80 2HB GLN 80 17.948 -2.100 -5.898 1355 2HB GLN 80 1HB GLN 80 16.550 -3.153 -5.747 1356 1HG GLN 80 2HG GLN 80 15.409 -1.942 -7.504 1357 2HG GLN 80 1HG GLN 80 16.744 -0.797 -7.613 1358 1HE2 GLN 80 1HE2 GLN 80 15.401 -3.394 -9.045 1359 2HE2 GLN 80 2HE2 GLN 80 16.786 -4.057 -9.835 1360 H VAL 81 H VAL 81 14.694 -0.516 -3.070 1361 HA VAL 81 HA VAL 81 12.239 -0.759 -4.555 1362 HB VAL 81 HB VAL 81 11.204 -2.418 -3.052 1363 1HG1 VAL 81 1HG1 VAL 81 12.096 -4.353 -4.087 1364 2HG1 VAL 81 2HG1 VAL 81 13.673 -3.594 -4.305 1365 3HG1 VAL 81 3HG1 VAL 81 12.288 -3.036 -5.243 1366 1HG2 VAL 81 1HG2 VAL 81 13.860 -2.273 -1.767 1367 2HG2 VAL 81 2HG2 VAL 81 13.127 -3.875 -1.882 1368 3HG2 VAL 81 3HG2 VAL 81 12.271 -2.569 -1.061 1369 H ALA 82 H ALA 82 10.650 0.467 -3.693 1370 HA ALA 82 HA ALA 82 11.306 2.279 -1.596 1371 1HB ALA 82 1HB ALA 82 8.485 2.046 -2.430 1372 2HB ALA 82 2HB ALA 82 9.647 2.416 -3.705 1373 3HB ALA 82 3HB ALA 82 9.518 3.469 -2.298 1374 H ILE 83 H ILE 83 10.675 2.320 0.511 1375 HA ILE 83 HA ILE 83 9.022 0.066 1.458 1376 HB ILE 83 HB ILE 83 11.346 1.341 2.910 1377 1HG1 ILE 83 2HG1 ILE 83 11.065 -1.396 1.649 1378 2HG1 ILE 83 1HG1 ILE 83 12.064 -0.080 1.040 1379 1HG2 ILE 83 1HG2 ILE 83 9.837 0.667 4.566 1380 2HG2 ILE 83 2HG2 ILE 83 10.973 -0.675 4.438 1381 3HG2 ILE 83 3HG2 ILE 83 9.382 -0.791 3.685 1382 1HD1 ILE 83 1HD1 ILE 83 13.116 -2.004 2.436 1383 2HD1 ILE 83 2HD1 ILE 83 12.500 -1.085 3.809 1384 3HD1 ILE 83 3HD1 ILE 83 13.638 -0.339 2.687 1385 H LEU 84 H LEU 84 7.477 0.478 2.984 1386 HA LEU 84 HA LEU 84 7.232 3.216 4.007 1387 1HB LEU 84 2HB LEU 84 5.782 3.137 2.081 1388 2HB LEU 84 1HB LEU 84 5.066 1.633 2.627 1389 HG LEU 84 HG LEU 84 4.065 2.802 4.544 1390 1HD1 LEU 84 1HD1 LEU 84 4.641 4.851 5.185 1391 2HD1 LEU 84 2HD1 LEU 84 4.459 5.495 3.553 1392 3HD1 LEU 84 3HD1 LEU 84 5.977 4.739 4.039 1393 1HD2 LEU 84 1HD2 LEU 84 3.401 4.268 2.002 1394 2HD2 LEU 84 2HD2 LEU 84 2.331 3.878 3.348 1395 3HD2 LEU 84 3HD2 LEU 84 2.931 2.594 2.299 1396 H LEU 85 H LEU 85 6.434 3.385 6.059 1397 HA LEU 85 HA LEU 85 5.148 1.134 7.339 1398 1HB LEU 85 2HB LEU 85 7.534 0.588 7.566 1399 2HB LEU 85 1HB LEU 85 7.813 2.138 8.338 1400 HG LEU 85 HG LEU 85 6.287 1.443 10.182 1401 1HD1 LEU 85 1HD1 LEU 85 4.916 -0.175 9.101 1402 2HD1 LEU 85 2HD1 LEU 85 5.824 -1.007 10.363 1403 3HD1 LEU 85 3HD1 LEU 85 6.315 -1.164 8.677 1404 1HD2 LEU 85 1HD2 LEU 85 8.864 0.149 9.530 1405 2HD2 LEU 85 2HD2 LEU 85 7.940 -0.547 10.862 1406 3HD2 LEU 85 3HD2 LEU 85 8.412 1.152 10.908 1407 H PHE 86 H PHE 86 3.933 1.702 9.091 1408 HA PHE 86 HA PHE 86 4.248 3.998 10.666 1409 1HB PHE 86 2HB PHE 86 2.427 5.414 9.807 1410 2HB PHE 86 1HB PHE 86 3.719 5.240 8.627 1411 HD1 PHE 86 1HD PHE 86 3.334 3.155 6.972 1412 HD2 PHE 86 2HD PHE 86 0.288 5.273 9.047 1413 HE1 PHE 86 1HE PHE 86 1.691 2.406 5.308 1414 HE2 PHE 86 2HE PHE 86 -1.366 4.529 7.385 1415 HZ PHE 86 HZ PHE 86 -0.661 3.094 5.513 1416 H LYS 87 H LYS 87 3.129 3.642 12.489 1417 HA LYS 87 HA LYS 87 1.258 1.461 12.580 1418 1HB LYS 87 2HB LYS 87 1.278 1.700 14.952 1419 2HB LYS 87 1HB LYS 87 2.930 1.890 14.383 1420 1HG LYS 87 2HG LYS 87 2.930 4.189 14.791 1421 2HG LYS 87 1HG LYS 87 1.168 4.262 14.893 1422 1HD LYS 87 2HD LYS 87 2.087 4.434 17.113 1423 2HD LYS 87 1HD LYS 87 1.279 2.875 16.943 1424 1HE LYS 87 2HE LYS 87 3.401 1.776 16.599 1425 2HE LYS 87 1HE LYS 87 4.245 3.323 16.659 1426 1HZ LYS 87 1HZ LYS 87 2.958 3.373 18.982 1427 2HZ LYS 87 2HZ LYS 87 4.514 2.737 18.803 1428 3HZ LYS 87 3HZ LYS 87 3.177 1.703 18.820 1429 H SER 88 H SER 88 -0.803 1.644 13.763 1430 HA SER 88 HA SER 88 -2.128 4.230 13.570 1431 1HB SER 88 2HB SER 88 -3.124 1.763 12.131 1432 2HB SER 88 1HB SER 88 -4.026 3.271 12.302 1433 HG SER 88 HG SER 88 -2.892 4.097 10.739 1434 H GLY 89 H GLY 89 -3.594 4.528 15.159 1435 1HA GLY 89 2HA GLY 89 -4.834 4.117 17.045 1436 2HA GLY 89 1HA GLY 89 -5.189 2.548 16.337 1437 1H MET 1 1HT MET 1 -10.629 -10.295 13.024 1438 2H MET 1 2HT MET 1 -11.297 -8.834 13.624 1439 3H MET 1 3HT MET 1 -10.273 -9.784 14.620 1440 HA MET 1 HA MET 1 -9.633 -8.010 12.411 1441 1HB MET 1 2HB MET 1 -8.321 -8.713 15.046 1442 2HB MET 1 1HB MET 1 -7.787 -7.446 13.950 1443 1HG MET 1 2HG MET 1 -9.895 -6.264 14.283 1444 2HG MET 1 1HG MET 1 -10.438 -7.539 15.373 1445 1HE MET 1 1HE MET 1 -10.368 -4.387 16.200 1446 2HE MET 1 2HE MET 1 -9.831 -4.612 17.865 1447 3HE MET 1 3HE MET 1 -10.998 -5.728 17.157 1448 H LYS 2 H LYS 2 -7.939 -8.337 11.038 1449 HA LYS 2 HA LYS 2 -6.020 -10.405 11.400 1450 1HB LYS 2 2HB LYS 2 -6.638 -11.758 9.415 1451 2HB LYS 2 1HB LYS 2 -7.805 -11.864 10.719 1452 1HG LYS 2 2HG LYS 2 -9.162 -11.678 8.877 1453 2HG LYS 2 1HG LYS 2 -9.058 -10.004 9.421 1454 1HD LYS 2 2HD LYS 2 -8.808 -10.178 6.995 1455 2HD LYS 2 1HD LYS 2 -7.340 -9.558 7.742 1456 1HE LYS 2 2HE LYS 2 -6.866 -11.216 5.996 1457 2HE LYS 2 1HE LYS 2 -6.300 -11.743 7.579 1458 1HZ LYS 2 1HZ LYS 2 -7.770 -13.430 7.640 1459 2HZ LYS 2 2HZ LYS 2 -7.737 -13.272 5.956 1460 3HZ LYS 2 3HZ LYS 2 -8.990 -12.566 6.847 1461 H ASP 3 H ASP 3 -4.272 -10.203 10.089 1462 HA ASP 3 HA ASP 3 -4.119 -7.709 8.643 1463 1HB ASP 3 2HB ASP 3 -1.680 -8.257 8.510 1464 2HB ASP 3 1HB ASP 3 -2.318 -8.176 10.149 1465 H THR 4 H THR 4 -3.990 -7.411 6.528 1466 HA THR 4 HA THR 4 -4.555 -9.581 4.747 1467 HB THR 4 HB THR 4 -5.452 -7.302 4.413 1468 HG1 THR 4 1HG THR 4 -5.028 -8.777 2.616 1469 1HG2 THR 4 1HG2 THR 4 -3.068 -6.304 5.046 1470 2HG2 THR 4 2HG2 THR 4 -4.243 -5.439 4.056 1471 3HG2 THR 4 3HG2 THR 4 -2.915 -6.310 3.288 1472 H GLY 5 H GLY 5 -3.200 -10.500 3.196 1473 1HA GLY 5 2HA GLY 5 -0.410 -9.593 3.137 1474 2HA GLY 5 1HA GLY 5 -0.727 -11.260 3.593 1475 H ILE 6 H ILE 6 0.130 -9.326 1.097 1476 HA ILE 6 HA ILE 6 -0.214 -11.408 -0.834 1477 HB ILE 6 HB ILE 6 -1.461 -10.019 -2.489 1478 1HG1 ILE 6 2HG1 ILE 6 -2.928 -8.203 -1.468 1479 2HG1 ILE 6 1HG1 ILE 6 -1.852 -8.251 -0.075 1480 1HG2 ILE 6 1HG2 ILE 6 -3.592 -10.654 -1.746 1481 2HG2 ILE 6 2HG2 ILE 6 -3.146 -10.477 -0.049 1482 3HG2 ILE 6 3HG2 ILE 6 -2.482 -11.805 -1.002 1483 1HD1 ILE 6 1HD1 ILE 6 -1.471 -6.496 -1.928 1484 2HD1 ILE 6 2HD1 ILE 6 -0.742 -7.835 -2.813 1485 3HD1 ILE 6 3HD1 ILE 6 -0.085 -7.350 -1.250 1486 H GLN 7 H GLN 7 0.597 -10.682 -3.032 1487 HA GLN 7 HA GLN 7 2.364 -8.389 -3.002 1488 1HB GLN 7 2HB GLN 7 4.384 -9.665 -3.500 1489 2HB GLN 7 1HB GLN 7 3.734 -10.127 -1.933 1490 1HG GLN 7 2HG GLN 7 2.760 -12.129 -2.910 1491 2HG GLN 7 1HG GLN 7 3.364 -11.659 -4.497 1492 1HE2 GLN 7 1HE2 GLN 7 3.914 -13.675 -2.035 1493 2HE2 GLN 7 2HE2 GLN 7 5.625 -13.880 -2.167 1494 H VAL 8 H VAL 8 2.489 -7.513 -4.966 1495 HA VAL 8 HA VAL 8 1.672 -9.164 -7.268 1496 HB VAL 8 HB VAL 8 1.221 -6.196 -6.906 1497 1HG1 VAL 8 1HG1 VAL 8 -0.321 -6.651 -8.924 1498 2HG1 VAL 8 2HG1 VAL 8 0.654 -8.104 -9.145 1499 3HG1 VAL 8 3HG1 VAL 8 1.415 -6.513 -9.201 1500 1HG2 VAL 8 1HG2 VAL 8 -1.246 -7.207 -7.086 1501 2HG2 VAL 8 2HG2 VAL 8 -0.415 -6.981 -5.547 1502 3HG2 VAL 8 3HG2 VAL 8 -0.440 -8.570 -6.310 1503 H ASP 9 H ASP 9 2.931 -9.138 -9.056 1504 HA ASP 9 HA ASP 9 4.951 -7.103 -9.437 1505 1HB ASP 9 1HB ASP 9 6.814 -8.740 -9.589 1506 2HB ASP 9 2HB ASP 9 5.733 -9.995 -8.995 1507 H ARG 10 H ARG 10 2.703 -7.715 -10.933 1508 HA ARG 10 HA ARG 10 3.289 -9.485 -13.089 1509 1HB ARG 10 2HB ARG 10 1.268 -7.243 -12.916 1510 2HB ARG 10 1HB ARG 10 1.312 -8.479 -14.166 1511 1HG ARG 10 2HG ARG 10 0.920 -10.200 -12.466 1512 2HG ARG 10 1HG ARG 10 0.843 -8.945 -11.228 1513 1HD ARG 10 2HD ARG 10 -1.392 -9.620 -11.926 1514 2HD ARG 10 1HD ARG 10 -1.076 -7.942 -12.359 1515 HE ARG 10 HE ARG 10 -0.405 -9.552 -14.543 1516 1HH1 ARG 10 1HH1 ARG 10 -3.235 -8.583 -12.746 1517 2HH1 ARG 10 2HH1 ARG 10 -4.302 -8.733 -14.101 1518 1HH2 ARG 10 1HH2 ARG 10 -1.807 -9.751 -16.327 1519 2HH2 ARG 10 2HH2 ARG 10 -3.491 -9.400 -16.135 1520 H ASP 11 H ASP 11 4.397 -9.145 -14.908 1521 HA ASP 11 HA ASP 11 5.721 -6.603 -15.281 1522 1HB ASP 11 2HB ASP 11 5.882 -9.155 -16.895 1523 2HB ASP 11 1HB ASP 11 6.912 -7.743 -17.111 1524 H LEU 12 H LEU 12 3.147 -6.021 -15.582 1525 HA LEU 12 HA LEU 12 1.916 -6.372 -18.034 1526 1HB LEU 12 2HB LEU 12 1.851 -3.920 -16.275 1527 2HB LEU 12 1HB LEU 12 0.707 -4.279 -17.555 1528 HG LEU 12 HG LEU 12 1.087 -5.852 -15.007 1529 1HD1 LEU 12 1HD1 LEU 12 -0.352 -3.527 -15.471 1530 2HD1 LEU 12 2HD1 LEU 12 -0.556 -4.646 -14.123 1531 3HD1 LEU 12 3HD1 LEU 12 -1.553 -4.814 -15.568 1532 1HD2 LEU 12 1HD2 LEU 12 -0.782 -6.315 -17.330 1533 2HD2 LEU 12 2HD2 LEU 12 -0.848 -7.162 -15.783 1534 3HD2 LEU 12 3HD2 LEU 12 0.557 -7.352 -16.833 1535 H ASP 13 H ASP 13 4.597 -4.337 -17.173 1536 HA ASP 13 HA ASP 13 6.006 -3.045 -18.403 1537 1HB ASP 13 2HB ASP 13 4.685 -4.441 -20.742 1538 2HB ASP 13 1HB ASP 13 6.161 -3.482 -20.832 1539 H GLY 14 H GLY 14 5.991 -0.947 -19.032 1540 1HA GLY 14 2HA GLY 14 3.410 0.317 -19.374 1541 2HA GLY 14 1HA GLY 14 4.960 1.130 -19.226 1542 H LYS 15 H LYS 15 4.056 -1.370 -21.564 1543 HA LYS 15 HA LYS 15 3.396 0.231 -23.727 1544 1HB LYS 15 2HB LYS 15 5.491 0.218 -25.035 1545 2HB LYS 15 1HB LYS 15 5.627 1.186 -23.574 1546 1HG LYS 15 2HG LYS 15 6.806 -0.649 -22.470 1547 2HG LYS 15 1HG LYS 15 6.673 -1.615 -23.941 1548 1HD LYS 15 2HD LYS 15 7.983 0.056 -25.157 1549 2HD LYS 15 1HD LYS 15 8.108 1.030 -23.691 1550 1HE LYS 15 2HE LYS 15 9.304 -0.795 -22.584 1551 2HE LYS 15 1HE LYS 15 9.181 -1.766 -24.051 1552 1HZ LYS 15 1HZ LYS 15 11.335 -0.735 -23.927 1553 2HZ LYS 15 2HZ LYS 15 10.645 0.800 -23.762 1554 3HZ LYS 15 3HZ LYS 15 10.471 -0.052 -25.212 1555 H SER 16 H SER 16 2.451 -1.110 -25.130 1556 HA SER 16 HA SER 16 1.850 -3.001 -26.244 1557 1HB SER 16 2HB SER 16 4.133 -2.935 -27.133 1558 2HB SER 16 1HB SER 16 4.722 -3.806 -25.717 1559 HG SER 16 HG SER 16 4.406 -5.291 -27.338 1560 H HIS 17 H HIS 17 0.736 -4.801 -25.680 1561 HA HIS 17 HA HIS 17 0.452 -5.510 -22.995 1562 1HB HIS 17 2HB HIS 17 -0.241 -7.141 -25.448 1563 2HB HIS 17 1HB HIS 17 -0.847 -7.438 -23.822 1564 HD1 HIS 17 1HD HIS 17 -2.020 -5.016 -22.826 1565 HD2 HIS 17 2HD HIS 17 -2.082 -5.825 -26.902 1566 HE1 HIS 17 1HE HIS 17 -3.885 -3.615 -23.762 1567 HE2 HIS 17 2HE HIS 17 -3.976 -4.207 -26.209 1568 H LYS 18 H LYS 18 1.589 -6.768 -21.673 1569 HA LYS 18 HA LYS 18 4.054 -7.867 -22.337 1570 1HB LYS 18 2HB LYS 18 4.076 -8.867 -20.169 1571 2HB LYS 18 1HB LYS 18 3.247 -7.325 -20.023 1572 1HG LYS 18 2HG LYS 18 1.915 -10.024 -20.195 1573 2HG LYS 18 1HG LYS 18 2.156 -9.082 -18.724 1574 1HD LYS 18 2HD LYS 18 0.783 -7.270 -19.712 1575 2HD LYS 18 1HD LYS 18 0.481 -8.305 -21.110 1576 1HE LYS 18 2HE LYS 18 -0.567 -9.965 -19.654 1577 2HE LYS 18 1HE LYS 18 -0.264 -8.936 -18.257 1578 1HZ LYS 18 1HZ LYS 18 -2.553 -8.791 -19.187 1579 2HZ LYS 18 2HZ LYS 18 -1.900 -8.095 -20.583 1580 3HZ LYS 18 3HZ LYS 18 -1.749 -7.305 -19.096 1581 1H MET 1 1HT MET 1 -3.021 12.858 13.701 1582 2H MET 1 2HT MET 1 -4.275 13.930 13.225 1583 3H MET 1 3HT MET 1 -2.748 13.991 12.446 1584 HA MET 1 HA MET 1 -3.291 11.507 11.979 1585 1HB MET 1 2HB MET 1 -5.959 12.892 12.299 1586 2HB MET 1 1HB MET 1 -5.748 11.392 11.409 1587 1HG MET 1 2HG MET 1 -6.553 10.840 13.565 1588 2HG MET 1 1HG MET 1 -4.860 10.364 13.499 1589 1HE MET 1 1HE MET 1 -7.068 13.494 15.688 1590 2HE MET 1 2HE MET 1 -7.022 13.301 13.936 1591 3HE MET 1 3HE MET 1 -5.928 14.435 14.726 1592 H LYS 2 H LYS 2 -2.979 11.253 9.839 1593 HA LYS 2 HA LYS 2 -4.045 13.095 7.910 1594 1HB LYS 2 2HB LYS 2 -1.053 12.968 8.324 1595 2HB LYS 2 1HB LYS 2 -1.849 13.751 6.968 1596 1HG LYS 2 2HG LYS 2 -2.937 15.307 8.526 1597 2HG LYS 2 1HG LYS 2 -2.085 14.538 9.865 1598 1HD LYS 2 2HD LYS 2 -0.943 16.575 9.172 1599 2HD LYS 2 1HD LYS 2 0.058 15.157 8.855 1600 1HE LYS 2 2HE LYS 2 -0.612 15.199 6.509 1601 2HE LYS 2 1HE LYS 2 -1.642 16.595 6.819 1602 1HZ LYS 2 1HZ LYS 2 0.802 16.844 5.909 1603 2HZ LYS 2 2HZ LYS 2 1.178 16.805 7.557 1604 3HZ LYS 2 3HZ LYS 2 0.128 17.987 6.958 1605 H ASP 3 H ASP 3 -4.287 12.184 5.967 1606 HA ASP 3 HA ASP 3 -3.775 9.396 5.711 1607 1HB ASP 3 2HB ASP 3 -4.791 9.671 3.454 1608 2HB ASP 3 1HB ASP 3 -5.790 10.300 4.759 1609 H THR 4 H THR 4 -1.956 8.470 5.065 1610 HA THR 4 HA THR 4 0.213 9.923 3.958 1611 HB THR 4 HB THR 4 0.411 7.874 5.388 1612 HG1 THR 4 1HG THR 4 1.611 7.726 2.821 1613 1HG2 THR 4 1HG2 THR 4 -0.181 6.271 2.932 1614 2HG2 THR 4 2HG2 THR 4 -1.411 6.613 4.149 1615 3HG2 THR 4 3HG2 THR 4 0.041 5.717 4.591 1616 H GLY 5 H GLY 5 0.888 10.078 1.847 1617 1HA GLY 5 2HA GLY 5 -0.582 8.559 -0.190 1618 2HA GLY 5 1HA GLY 5 -0.589 10.315 -0.293 1619 H ILE 6 H ILE 6 0.771 7.720 -1.618 1620 HA ILE 6 HA ILE 6 2.989 9.219 -2.658 1621 HB ILE 6 HB ILE 6 4.676 7.435 -2.024 1622 1HG1 ILE 6 2HG1 ILE 6 4.175 6.330 0.201 1623 2HG1 ILE 6 1HG1 ILE 6 2.493 6.780 -0.048 1624 1HG2 ILE 6 1HG2 ILE 6 4.396 9.786 -1.034 1625 2HG2 ILE 6 2HG2 ILE 6 5.377 8.619 -0.146 1626 3HG2 ILE 6 3HG2 ILE 6 3.726 8.960 0.373 1627 1HD1 ILE 6 1HD1 ILE 6 3.739 5.355 -2.286 1628 2HD1 ILE 6 2HD1 ILE 6 2.152 5.153 -1.545 1629 3HD1 ILE 6 3HD1 ILE 6 3.573 4.429 -0.794 1630 H GLN 7 H GLN 7 3.868 8.354 -4.519 1631 HA GLN 7 HA GLN 7 2.653 5.857 -5.485 1632 1HB GLN 7 2HB GLN 7 2.630 6.843 -7.765 1633 2HB GLN 7 1HB GLN 7 1.556 7.669 -6.644 1634 1HG GLN 7 2HG GLN 7 3.136 9.471 -6.390 1635 2HG GLN 7 1HG GLN 7 4.307 8.627 -7.399 1636 1HE2 GLN 7 1HE2 GLN 7 4.445 9.444 -9.347 1637 2HE2 GLN 7 2HE2 GLN 7 3.151 10.116 -10.271 1638 H VAL 8 H VAL 8 4.249 4.415 -5.494 1639 HA VAL 8 HA VAL 8 6.990 5.138 -5.792 1640 HB VAL 8 HB VAL 8 5.807 2.371 -6.032 1641 1HG1 VAL 8 1HG1 VAL 8 8.568 3.421 -5.508 1642 2HG1 VAL 8 2HG1 VAL 8 8.033 2.305 -6.763 1643 3HG1 VAL 8 3HG1 VAL 8 8.091 1.779 -5.082 1644 1HG2 VAL 8 1HG2 VAL 8 6.200 4.127 -3.699 1645 2HG2 VAL 8 2HG2 VAL 8 6.754 2.462 -3.517 1646 3HG2 VAL 8 3HG2 VAL 8 5.074 2.792 -3.939 1647 H ASP 9 H ASP 9 8.221 5.233 -7.554 1648 HA ASP 9 HA ASP 9 7.609 3.824 -9.978 1649 1HB ASP 9 2HB ASP 9 7.377 6.845 -9.942 1650 2HB ASP 9 1HB ASP 9 7.411 5.855 -11.396 1651 H ARG 10 H ARG 10 9.798 3.614 -8.409 1652 HA ARG 10 HA ARG 10 11.932 5.334 -8.859 1653 1HB ARG 10 2HB ARG 10 11.931 3.481 -7.214 1654 2HB ARG 10 1HB ARG 10 12.065 2.331 -8.538 1655 1HG ARG 10 2HG ARG 10 14.222 2.693 -7.512 1656 2HG ARG 10 1HG ARG 10 14.221 3.313 -9.164 1657 1HD ARG 10 2HD ARG 10 13.861 5.578 -8.313 1658 2HD ARG 10 1HD ARG 10 13.857 4.958 -6.662 1659 HE ARG 10 HE ARG 10 16.248 4.181 -7.890 1660 1HH1 ARG 10 1HH1 ARG 10 14.653 7.091 -6.806 1661 2HH1 ARG 10 2HH1 ARG 10 16.132 7.933 -6.489 1662 1HH2 ARG 10 1HH2 ARG 10 18.194 5.287 -7.473 1663 2HH2 ARG 10 2HH2 ARG 10 18.142 6.909 -6.868 1664 H ASP 11 H ASP 11 13.335 5.671 -10.480 1665 HA ASP 11 HA ASP 11 12.723 4.617 -13.073 1666 1HB ASP 11 2HB ASP 11 14.993 6.399 -12.163 1667 2HB ASP 11 1HB ASP 11 14.577 6.057 -13.840 1668 H LEU 12 H LEU 12 13.262 2.397 -11.768 1669 HA LEU 12 HA LEU 12 16.040 1.664 -11.837 1670 1HB LEU 12 2HB LEU 12 13.585 -0.068 -11.542 1671 2HB LEU 12 1HB LEU 12 15.237 -0.575 -11.244 1672 HG LEU 12 HG LEU 12 13.692 1.483 -9.669 1673 1HD1 LEU 12 1HD1 LEU 12 14.353 -1.390 -9.265 1674 2HD1 LEU 12 2HD1 LEU 12 12.870 -0.507 -8.896 1675 3HD1 LEU 12 3HD1 LEU 12 14.287 -0.322 -7.863 1676 1HD2 LEU 12 1HD2 LEU 12 15.716 1.309 -8.146 1677 2HD2 LEU 12 2HD2 LEU 12 15.932 2.210 -9.646 1678 3HD2 LEU 12 3HD2 LEU 12 16.549 0.564 -9.509 1679 H ASP 13 H ASP 13 15.431 2.606 -14.342 1680 HA ASP 13 HA ASP 13 16.090 0.345 -15.978 1681 1HB ASP 13 2HB ASP 13 13.470 1.786 -16.452 1682 2HB ASP 13 1HB ASP 13 14.210 0.652 -17.576 1683 H GLY 14 H GLY 14 14.945 3.712 -15.992 1684 1HA GLY 14 2HA GLY 14 17.275 4.780 -17.106 1685 2HA GLY 14 1HA GLY 14 16.168 4.446 -18.429 1686 H LYS 15 H LYS 15 15.414 6.373 -19.055 1687 HA LYS 15 HA LYS 15 15.099 8.626 -17.427 1688 1HB LYS 15 2HB LYS 15 13.683 7.934 -20.009 1689 2HB LYS 15 1HB LYS 15 13.722 9.532 -19.276 1690 1HG LYS 15 2HG LYS 15 16.106 7.995 -20.289 1691 2HG LYS 15 1HG LYS 15 15.324 9.358 -21.092 1692 1HD LYS 15 2HD LYS 15 15.892 10.798 -19.194 1693 2HD LYS 15 1HD LYS 15 16.673 9.433 -18.393 1694 1HE LYS 15 2HE LYS 15 17.487 10.643 -21.033 1695 2HE LYS 15 1HE LYS 15 18.308 10.880 -19.492 1696 1HZ LYS 15 1HZ LYS 15 19.506 9.094 -19.968 1697 2HZ LYS 15 2HZ LYS 15 18.586 8.762 -21.349 1698 3HZ LYS 15 3HZ LYS 15 18.110 8.145 -19.848 1699 H SER 16 H SER 16 12.768 6.150 -18.418 1700 HA SER 16 HA SER 16 11.260 6.307 -16.061 1701 1HB SER 16 2HB SER 16 9.196 7.369 -16.908 1702 2HB SER 16 1HB SER 16 10.551 8.498 -16.899 1703 HG SER 16 HG SER 16 10.452 8.625 -19.000 1704 H HIS 17 H HIS 17 10.154 4.463 -15.873 1705 HA HIS 17 HA HIS 17 8.870 3.186 -18.101 1706 1HB HIS 17 2HB HIS 17 11.299 1.881 -16.856 1707 2HB HIS 17 1HB HIS 17 10.164 1.064 -17.923 1708 HD1 HIS 17 1HD HIS 17 9.886 2.608 -20.323 1709 HD2 HIS 17 2HD HIS 17 13.478 2.654 -18.233 1710 HE1 HIS 17 1HE HIS 17 11.620 3.353 -21.983 1711 HE2 HIS 17 2HE HIS 17 13.771 3.450 -20.676 1712 H LYS 18 H LYS 18 10.097 2.806 -14.795 1713 HA LYS 18 HA LYS 18 7.472 2.080 -13.858 1714 1HB LYS 18 2HB LYS 18 9.731 0.080 -13.660 1715 2HB LYS 18 1HB LYS 18 8.176 -0.067 -12.856 1716 1HG LYS 18 2HG LYS 18 7.070 -0.141 -15.051 1717 2HG LYS 18 1HG LYS 18 8.652 -0.059 -15.829 1718 1HD LYS 18 2HD LYS 18 9.298 -2.150 -14.732 1719 2HD LYS 18 1HD LYS 18 7.714 -2.233 -13.959 1720 1HE LYS 18 2HE LYS 18 7.803 -3.674 -15.923 1721 2HE LYS 18 1HE LYS 18 6.646 -2.365 -16.152 1722 1HZ LYS 18 1HZ LYS 18 7.757 -1.660 -17.919 1723 2HZ LYS 18 2HZ LYS 18 8.721 -3.047 -17.825 1724 3HZ LYS 18 3HZ LYS 18 9.226 -1.616 -17.078 Start of MODEL 7 1 1H MET 1 1HT MET 1 -9.011 -0.208 -21.615 2 2H MET 1 2HT MET 1 -9.446 -1.855 -21.830 3 3H MET 1 3HT MET 1 -8.296 -1.417 -20.634 4 HA MET 1 HA MET 1 -10.319 -1.874 -19.575 5 1HB MET 1 2HB MET 1 -9.820 1.102 -19.816 6 2HB MET 1 1HB MET 1 -10.686 0.317 -18.502 7 1HG MET 1 2HG MET 1 -8.659 -0.886 -17.877 8 2HG MET 1 1HG MET 1 -7.789 -0.112 -19.200 9 1HE MET 1 1HE MET 1 -6.693 -0.185 -16.449 10 2HE MET 1 2HE MET 1 -6.406 1.441 -15.830 11 3HE MET 1 3HE MET 1 -5.844 0.999 -17.442 12 H CYS 2 H CYS 2 -12.480 -2.067 -19.686 13 HA CYS 2 HA CYS 2 -14.254 -0.241 -20.843 14 1HB CYS 2 2HB CYS 2 -14.910 -1.447 -22.893 15 2HB CYS 2 1HB CYS 2 -13.247 -0.876 -22.974 16 HG CYS 2 HG CYS 2 -12.948 -3.615 -22.107 17 H ASP 3 H ASP 3 -16.295 -0.703 -20.225 18 HA ASP 3 HA ASP 3 -18.042 -1.765 -19.232 19 1HB ASP 3 2HB ASP 3 -16.695 -4.259 -20.294 20 2HB ASP 3 1HB ASP 3 -18.339 -4.177 -19.666 21 H ARG 4 H ARG 4 -18.514 -2.340 -17.181 22 HA ARG 4 HA ARG 4 -16.479 -2.538 -15.267 23 1HB ARG 4 2HB ARG 4 -18.708 -1.707 -14.742 24 2HB ARG 4 1HB ARG 4 -19.383 -3.307 -15.024 25 1HG ARG 4 2HG ARG 4 -18.363 -4.196 -13.113 26 2HG ARG 4 1HG ARG 4 -17.261 -2.825 -12.962 27 1HD ARG 4 2HD ARG 4 -19.112 -1.368 -12.420 28 2HD ARG 4 1HD ARG 4 -20.252 -2.694 -12.635 29 HE ARG 4 HE ARG 4 -18.755 -2.120 -10.304 30 1HH1 ARG 4 1HH1 ARG 4 -19.945 -4.794 -12.208 31 2HH1 ARG 4 2HH1 ARG 4 -19.937 -5.904 -10.879 32 1HH2 ARG 4 1HH2 ARG 4 -18.748 -3.579 -8.558 33 2HH2 ARG 4 2HH2 ARG 4 -19.260 -5.215 -8.808 34 H LYS 5 H LYS 5 -15.418 -4.194 -14.366 35 HA LYS 5 HA LYS 5 -16.396 -6.895 -14.477 36 1HB LYS 5 2HB LYS 5 -13.961 -6.095 -16.080 37 2HB LYS 5 1HB LYS 5 -14.332 -7.756 -15.646 38 1HG LYS 5 2HG LYS 5 -16.051 -5.946 -17.332 39 2HG LYS 5 1HG LYS 5 -15.019 -7.249 -17.923 40 1HD LYS 5 2HD LYS 5 -17.348 -7.594 -16.035 41 2HD LYS 5 1HD LYS 5 -17.382 -7.925 -17.768 42 1HE LYS 5 2HE LYS 5 -15.635 -9.617 -17.470 43 2HE LYS 5 1HE LYS 5 -15.608 -9.283 -15.739 44 1HZ LYS 5 1HZ LYS 5 -17.019 -11.040 -15.768 45 2HZ LYS 5 2HZ LYS 5 -17.595 -10.722 -17.324 46 3HZ LYS 5 3HZ LYS 5 -18.161 -9.815 -16.013 47 H ALA 6 H ALA 6 -12.971 -6.601 -14.468 48 HA ALA 6 HA ALA 6 -11.391 -6.704 -12.839 49 1HB ALA 6 1HB ALA 6 -13.367 -5.744 -10.807 50 2HB ALA 6 2HB ALA 6 -12.732 -4.651 -12.036 51 3HB ALA 6 3HB ALA 6 -11.633 -5.441 -10.907 52 H VAL 7 H VAL 7 -10.650 -8.460 -11.815 53 HA VAL 7 HA VAL 7 -12.585 -10.441 -10.914 54 HB VAL 7 HB VAL 7 -10.680 -11.978 -10.911 55 1HG1 VAL 7 1HG1 VAL 7 -11.301 -10.435 -13.400 56 2HG1 VAL 7 2HG1 VAL 7 -11.903 -12.015 -12.900 57 3HG1 VAL 7 3HG1 VAL 7 -10.229 -11.835 -13.427 58 1HG2 VAL 7 1HG2 VAL 7 -9.154 -9.633 -10.864 59 2HG2 VAL 7 2HG2 VAL 7 -8.831 -10.388 -12.425 60 3HG2 VAL 7 3HG2 VAL 7 -8.566 -11.294 -10.935 61 H ILE 8 H ILE 8 -12.685 -11.236 -8.884 62 HA ILE 8 HA ILE 8 -11.473 -9.686 -6.771 63 HB ILE 8 HB ILE 8 -13.343 -12.058 -6.713 64 1HG1 ILE 8 2HG1 ILE 8 -14.941 -10.392 -5.822 65 2HG1 ILE 8 1HG1 ILE 8 -13.717 -9.140 -5.994 66 1HG2 ILE 8 1HG2 ILE 8 -11.966 -12.227 -4.753 67 2HG2 ILE 8 2HG2 ILE 8 -13.549 -11.611 -4.277 68 3HG2 ILE 8 3HG2 ILE 8 -12.177 -10.511 -4.403 69 1HD1 ILE 8 1HD1 ILE 8 -15.484 -9.275 -7.791 70 2HD1 ILE 8 2HD1 ILE 8 -14.689 -10.757 -8.323 71 3HD1 ILE 8 3HD1 ILE 8 -13.807 -9.230 -8.334 72 H LYS 9 H LYS 9 -10.011 -10.466 -5.211 73 HA LYS 9 HA LYS 9 -8.757 -13.051 -5.805 74 1HB LYS 9 2HB LYS 9 -7.295 -10.434 -5.447 75 2HB LYS 9 1HB LYS 9 -6.517 -12.011 -5.504 76 1HG LYS 9 2HG LYS 9 -7.332 -12.347 -7.773 77 2HG LYS 9 1HG LYS 9 -8.153 -10.785 -7.717 78 1HD LYS 9 2HD LYS 9 -6.010 -9.656 -7.454 79 2HD LYS 9 1HD LYS 9 -5.177 -11.210 -7.456 80 1HE LYS 9 2HE LYS 9 -6.801 -10.072 -9.727 81 2HE LYS 9 1HE LYS 9 -5.041 -10.110 -9.638 82 1HZ LYS 9 1HZ LYS 9 -6.907 -12.390 -9.912 83 2HZ LYS 9 2HZ LYS 9 -5.301 -12.603 -9.425 84 3HZ LYS 9 3HZ LYS 9 -5.643 -11.938 -10.942 85 H ASN 10 H ASN 10 -9.261 -10.447 -3.457 86 HA ASN 10 HA ASN 10 -8.964 -12.441 -1.344 87 1HB ASN 10 2HB ASN 10 -7.502 -9.794 -1.307 88 2HB ASN 10 1HB ASN 10 -7.566 -10.945 0.024 89 1HD2 ASN 10 1HD2 ASN 10 -5.630 -9.847 -2.290 90 2HD2 ASN 10 2HD2 ASN 10 -4.683 -11.253 -2.614 91 H ALA 11 H ALA 11 -11.363 -11.560 -2.179 92 HA ALA 11 HA ALA 11 -12.363 -9.244 -0.929 93 1HB ALA 11 1HB ALA 11 -13.867 -9.953 -2.469 94 2HB ALA 11 2HB ALA 11 -14.566 -10.763 -1.067 95 3HB ALA 11 3HB ALA 11 -13.528 -11.660 -2.176 96 H ASP 12 H ASP 12 -13.390 -8.922 1.047 97 HA ASP 12 HA ASP 12 -13.826 -11.081 2.882 98 1HB ASP 12 2HB ASP 12 -11.394 -10.834 3.108 99 2HB ASP 12 1HB ASP 12 -11.597 -9.124 3.476 100 H MET 13 H MET 13 -15.718 -9.463 2.049 101 HA MET 13 HA MET 13 -16.649 -8.218 4.417 102 1HB MET 13 2HB MET 13 -16.822 -5.902 3.577 103 2HB MET 13 1HB MET 13 -15.156 -6.418 3.786 104 1HG MET 13 2HG MET 13 -14.840 -6.659 1.456 105 2HG MET 13 1HG MET 13 -16.566 -6.506 1.138 106 1HE MET 13 1HE MET 13 -13.290 -4.232 2.269 107 2HE MET 13 2HE MET 13 -14.368 -4.658 3.597 108 3HE MET 13 3HE MET 13 -14.300 -2.993 3.016 109 H SER 14 H SER 14 -18.624 -6.627 3.609 110 HA SER 14 HA SER 14 -20.546 -8.390 2.585 111 1HB SER 14 2HB SER 14 -22.012 -6.375 2.453 112 2HB SER 14 1HB SER 14 -21.200 -6.546 4.010 113 HG SER 14 HG SER 14 -20.032 -4.999 1.974 114 H GLU 15 H GLU 15 -21.523 -8.601 0.612 115 HA GLU 15 HA GLU 15 -20.002 -8.338 -1.681 116 1HB GLU 15 2HB GLU 15 -23.010 -8.484 -1.472 117 2HB GLU 15 1HB GLU 15 -22.072 -8.809 -2.924 118 1HG GLU 15 2HG GLU 15 -20.993 -10.693 -1.808 119 2HG GLU 15 1HG GLU 15 -21.934 -10.366 -0.352 120 H GLU 16 H GLU 16 -22.515 -6.182 -0.452 121 HA GLU 16 HA GLU 16 -22.663 -4.456 -2.630 122 1HB GLU 16 2HB GLU 16 -23.583 -2.805 -1.054 123 2HB GLU 16 1HB GLU 16 -24.293 -4.398 -0.831 124 1HG GLU 16 2HG GLU 16 -22.808 -4.776 1.085 125 2HG GLU 16 1HG GLU 16 -22.138 -3.160 0.869 126 H MET 17 H MET 17 -20.577 -4.218 0.252 127 HA MET 17 HA MET 17 -19.375 -1.792 -0.383 128 1HB MET 17 2HB MET 17 -18.286 -4.157 1.137 129 2HB MET 17 1HB MET 17 -17.465 -2.605 1.038 130 1HG MET 17 2HG MET 17 -19.317 -1.512 2.131 131 2HG MET 17 1HG MET 17 -20.230 -3.018 2.150 132 1HE MET 17 1HE MET 17 -20.301 -1.576 4.387 133 2HE MET 17 2HE MET 17 -19.157 -1.779 5.714 134 3HE MET 17 3HE MET 17 -20.305 -3.063 5.337 135 H GLN 18 H GLN 18 -18.230 -5.071 -1.149 136 HA GLN 18 HA GLN 18 -15.949 -4.253 -2.557 137 1HB GLN 18 2HB GLN 18 -16.080 -6.521 -3.641 138 2HB GLN 18 1HB GLN 18 -16.062 -6.517 -1.884 139 1HG GLN 18 2HG GLN 18 -18.521 -6.790 -1.904 140 2HG GLN 18 1HG GLN 18 -18.454 -6.918 -3.662 141 1HE2 GLN 18 1HE2 GLN 18 -18.297 -8.573 -0.754 142 2HE2 GLN 18 2HE2 GLN 18 -17.738 -10.091 -1.351 143 H GLN 19 H GLN 19 -19.283 -4.688 -3.611 144 HA GLN 19 HA GLN 19 -18.756 -4.412 -6.383 145 1HB GLN 19 2HB GLN 19 -21.265 -3.983 -4.764 146 2HB GLN 19 1HB GLN 19 -21.217 -3.842 -6.516 147 1HG GLN 19 2HG GLN 19 -20.519 -6.164 -6.699 148 2HG GLN 19 1HG GLN 19 -20.524 -6.313 -4.944 149 1HE2 GLN 19 1HE2 GLN 19 -22.245 -7.289 -4.180 150 2HE2 GLN 19 2HE2 GLN 19 -23.834 -7.249 -4.859 151 H ASP 20 H ASP 20 -19.698 -2.095 -3.876 152 HA ASP 20 HA ASP 20 -19.910 0.132 -5.604 153 1HB ASP 20 2HB ASP 20 -19.437 -0.060 -2.628 154 2HB ASP 20 1HB ASP 20 -19.637 1.474 -3.470 155 H SER 21 H SER 21 -17.218 -1.239 -3.808 156 HA SER 21 HA SER 21 -15.423 0.899 -4.293 157 1HB SER 21 2HB SER 21 -13.657 -0.712 -3.660 158 2HB SER 21 1HB SER 21 -15.003 -0.747 -2.523 159 HG SER 21 HG SER 21 -14.248 -2.640 -4.453 160 H VAL 22 H VAL 22 -16.152 -2.098 -6.003 161 HA VAL 22 HA VAL 22 -14.129 -1.870 -7.958 162 HB VAL 22 HB VAL 22 -16.804 -3.254 -8.198 163 1HG1 VAL 22 1HG1 VAL 22 -14.916 -2.777 -10.172 164 2HG1 VAL 22 2HG1 VAL 22 -16.203 -3.983 -10.213 165 3HG1 VAL 22 3HG1 VAL 22 -14.592 -4.431 -9.652 166 1HG2 VAL 22 1HG2 VAL 22 -14.735 -3.815 -6.433 167 2HG2 VAL 22 2HG2 VAL 22 -14.508 -4.961 -7.754 168 3HG2 VAL 22 3HG2 VAL 22 -16.048 -4.896 -6.898 169 H GLU 23 H GLU 23 -17.550 -0.950 -7.989 170 HA GLU 23 HA GLU 23 -17.491 0.168 -10.597 171 1HB GLU 23 2HB GLU 23 -19.652 1.142 -10.031 172 2HB GLU 23 1HB GLU 23 -19.582 -0.527 -9.487 173 1HG GLU 23 2HG GLU 23 -19.085 0.251 -7.218 174 2HG GLU 23 1HG GLU 23 -19.223 1.916 -7.774 175 H CYS 24 H CYS 24 -17.116 1.478 -7.353 176 HA CYS 24 HA CYS 24 -16.956 4.197 -8.075 177 1HB CYS 24 2HB CYS 24 -17.367 3.403 -5.768 178 2HB CYS 24 1HB CYS 24 -15.711 2.815 -5.691 179 HG CYS 24 HG CYS 24 -15.166 5.521 -6.132 180 H ALA 25 H ALA 25 -14.550 1.634 -7.987 181 HA ALA 25 HA ALA 25 -12.286 3.335 -8.224 182 1HB ALA 25 1HB ALA 25 -11.635 1.275 -7.478 183 2HB ALA 25 2HB ALA 25 -11.327 1.065 -9.201 184 3HB ALA 25 3HB ALA 25 -12.803 0.418 -8.484 185 H THR 26 H THR 26 -14.372 1.606 -10.472 186 HA THR 26 HA THR 26 -12.946 2.106 -12.813 187 HB THR 26 HB THR 26 -15.927 1.774 -12.446 188 HG1 THR 26 1HG THR 26 -14.604 0.018 -11.717 189 1HG2 THR 26 1HG2 THR 26 -14.393 2.262 -14.828 190 2HG2 THR 26 2HG2 THR 26 -16.139 2.125 -14.617 191 3HG2 THR 26 3HG2 THR 26 -15.166 0.679 -14.885 192 H GLN 27 H GLN 27 -15.581 3.902 -11.288 193 HA GLN 27 HA GLN 27 -15.793 5.958 -13.174 194 1HB GLN 27 2HB GLN 27 -16.267 6.068 -10.186 195 2HB GLN 27 1HB GLN 27 -16.809 7.278 -11.341 196 1HG GLN 27 2HG GLN 27 -18.220 5.614 -12.431 197 2HG GLN 27 1HG GLN 27 -17.671 4.395 -11.282 198 1HE2 GLN 27 1HE2 GLN 27 -19.070 4.004 -9.739 199 2HE2 GLN 27 2HE2 GLN 27 -20.166 5.139 -9.036 200 H ALA 28 H ALA 28 -13.683 5.514 -10.400 201 HA ALA 28 HA ALA 28 -12.507 8.019 -10.214 202 1HB ALA 28 1HB ALA 28 -12.177 5.712 -8.899 203 2HB ALA 28 2HB ALA 28 -11.017 7.038 -8.813 204 3HB ALA 28 3HB ALA 28 -10.728 5.678 -9.899 205 H LEU 29 H LEU 29 -11.495 5.234 -12.187 206 HA LEU 29 HA LEU 29 -9.274 6.427 -13.375 207 1HB LEU 29 2HB LEU 29 -11.122 4.257 -14.318 208 2HB LEU 29 1HB LEU 29 -9.722 4.759 -15.249 209 HG LEU 29 HG LEU 29 -9.523 3.823 -12.403 210 1HD1 LEU 29 1HD1 LEU 29 -9.244 1.638 -13.059 211 2HD1 LEU 29 2HD1 LEU 29 -8.786 2.079 -14.705 212 3HD1 LEU 29 3HD1 LEU 29 -10.476 2.164 -14.206 213 1HD2 LEU 29 1HD2 LEU 29 -7.522 4.177 -14.625 214 2HD2 LEU 29 2HD2 LEU 29 -7.171 3.412 -13.074 215 3HD2 LEU 29 3HD2 LEU 29 -7.637 5.112 -13.134 216 H GLU 30 H GLU 30 -12.648 6.347 -14.388 217 HA GLU 30 HA GLU 30 -12.344 7.636 -16.855 218 1HB GLU 30 2HB GLU 30 -14.717 7.697 -14.984 219 2HB GLU 30 1HB GLU 30 -14.747 8.132 -16.687 220 1HG GLU 30 2HG GLU 30 -14.099 5.409 -15.580 221 2HG GLU 30 1HG GLU 30 -15.632 5.895 -16.300 222 H LYS 31 H LYS 31 -12.612 8.928 -13.600 223 HA LYS 31 HA LYS 31 -12.857 11.640 -14.578 224 1HB LYS 31 2HB LYS 31 -12.870 12.242 -12.156 225 2HB LYS 31 1HB LYS 31 -14.141 11.127 -12.635 226 1HG LYS 31 2HG LYS 31 -12.984 9.282 -11.669 227 2HG LYS 31 1HG LYS 31 -11.559 10.265 -11.374 228 1HD LYS 31 2HD LYS 31 -12.760 9.980 -9.306 229 2HD LYS 31 1HD LYS 31 -12.897 11.661 -9.823 230 1HE LYS 31 2HE LYS 31 -14.994 9.570 -10.375 231 2HE LYS 31 1HE LYS 31 -15.013 10.613 -8.954 232 1HZ LYS 31 1HZ LYS 31 -14.699 12.342 -11.038 233 2HZ LYS 31 2HZ LYS 31 -16.144 12.028 -10.218 234 3HZ LYS 31 3HZ LYS 31 -15.787 11.196 -11.646 235 H TYR 32 H TYR 32 -10.432 9.716 -12.829 236 HA TYR 32 HA TYR 32 -8.527 11.894 -13.337 237 1HB TYR 32 2HB TYR 32 -8.488 9.758 -11.209 238 2HB TYR 32 1HB TYR 32 -7.115 10.804 -11.550 239 HD1 TYR 32 1HD TYR 32 -10.509 10.655 -10.160 240 HD2 TYR 32 2HD TYR 32 -7.133 13.128 -10.901 241 HE1 TYR 32 1HE TYR 32 -11.437 12.357 -8.651 242 HE2 TYR 32 2HE TYR 32 -8.044 14.836 -9.386 243 HH TYR 32 HH TYR 32 -10.684 14.227 -7.304 244 H ASN 33 H ASN 33 -8.822 8.362 -13.367 245 HA ASN 33 HA ASN 33 -7.817 6.777 -14.661 246 1HB ASN 33 2HB ASN 33 -8.311 8.439 -16.511 247 2HB ASN 33 1HB ASN 33 -6.671 9.043 -16.305 248 1HD2 ASN 33 1HD2 ASN 33 -8.534 7.062 -18.097 249 2HD2 ASN 33 2HD2 ASN 33 -7.335 5.961 -18.676 250 H ILE 34 H ILE 34 -6.595 7.548 -12.323 251 HA ILE 34 HA ILE 34 -3.839 6.829 -12.870 252 HB ILE 34 HB ILE 34 -4.504 9.358 -11.357 253 1HG1 ILE 34 2HG1 ILE 34 -3.073 8.937 -13.989 254 2HG1 ILE 34 1HG1 ILE 34 -4.654 9.678 -13.771 255 1HG2 ILE 34 1HG2 ILE 34 -1.716 9.021 -11.933 256 2HG2 ILE 34 2HG2 ILE 34 -2.319 7.610 -11.063 257 3HG2 ILE 34 3HG2 ILE 34 -2.516 9.222 -10.375 258 1HD1 ILE 34 1HD1 ILE 34 -2.842 11.091 -12.141 259 2HD1 ILE 34 2HD1 ILE 34 -3.682 11.647 -13.588 260 3HD1 ILE 34 3HD1 ILE 34 -2.092 10.894 -13.725 261 H GLU 35 H GLU 35 -3.316 5.300 -11.460 262 HA GLU 35 HA GLU 35 -4.861 4.238 -9.504 263 1HB GLU 35 2HB GLU 35 -2.808 3.248 -8.557 264 2HB GLU 35 1HB GLU 35 -2.867 3.135 -10.310 265 1HG GLU 35 2HG GLU 35 -1.373 5.081 -10.462 266 2HG GLU 35 1HG GLU 35 -1.277 5.120 -8.702 267 H LYS 36 H LYS 36 -2.450 6.801 -9.017 268 HA LYS 36 HA LYS 36 -2.632 6.978 -6.235 269 1HB LYS 36 2HB LYS 36 -0.891 8.094 -7.564 270 2HB LYS 36 1HB LYS 36 -2.096 9.194 -8.217 271 1HG LYS 36 2HG LYS 36 -2.536 9.946 -5.861 272 2HG LYS 36 1HG LYS 36 -1.125 9.004 -5.378 273 1HD LYS 36 2HD LYS 36 -0.470 11.301 -5.701 274 2HD LYS 36 1HD LYS 36 0.242 10.310 -6.976 275 1HE LYS 36 2HE LYS 36 -1.514 11.007 -8.514 276 2HE LYS 36 1HE LYS 36 -2.270 11.962 -7.239 277 1HZ LYS 36 1HZ LYS 36 -0.752 13.594 -7.443 278 2HZ LYS 36 2HZ LYS 36 -0.557 12.966 -8.999 279 3HZ LYS 36 3HZ LYS 36 0.528 12.538 -7.774 280 H ASP 37 H ASP 37 -4.238 9.075 -8.634 281 HA ASP 37 HA ASP 37 -5.833 10.488 -6.846 282 1HB ASP 37 2HB ASP 37 -6.404 9.801 -9.734 283 2HB ASP 37 1HB ASP 37 -7.236 11.044 -8.804 284 H ILE 38 H ILE 38 -6.531 7.484 -8.584 285 HA ILE 38 HA ILE 38 -9.194 7.119 -8.039 286 HB ILE 38 HB ILE 38 -7.014 5.024 -7.989 287 1HG1 ILE 38 2HG1 ILE 38 -8.883 5.786 -10.236 288 2HG1 ILE 38 1HG1 ILE 38 -7.243 6.397 -10.082 289 1HG2 ILE 38 1HG2 ILE 38 -8.661 3.354 -8.295 290 2HG2 ILE 38 2HG2 ILE 38 -9.934 4.551 -8.524 291 3HG2 ILE 38 3HG2 ILE 38 -9.202 4.337 -6.935 292 1HD1 ILE 38 1HD1 ILE 38 -8.208 3.787 -10.985 293 2HD1 ILE 38 2HD1 ILE 38 -6.813 3.734 -9.910 294 3HD1 ILE 38 3HD1 ILE 38 -6.739 4.666 -11.404 295 H ALA 39 H ALA 39 -6.486 6.085 -5.989 296 HA ALA 39 HA ALA 39 -8.050 5.097 -3.873 297 1HB ALA 39 1HB ALA 39 -5.774 5.613 -2.611 298 2HB ALA 39 2HB ALA 39 -5.198 5.789 -4.269 299 3HB ALA 39 3HB ALA 39 -5.938 4.275 -3.750 300 H ALA 40 H ALA 40 -6.907 8.332 -4.597 301 HA ALA 40 HA ALA 40 -7.208 9.422 -2.013 302 1HB ALA 40 1HB ALA 40 -6.886 10.501 -4.747 303 2HB ALA 40 2HB ALA 40 -5.956 10.815 -3.283 304 3HB ALA 40 3HB ALA 40 -7.521 11.594 -3.516 305 H HIS 41 H HIS 41 -9.320 9.942 -4.842 306 HA HIS 41 HA HIS 41 -11.375 11.163 -3.380 307 1HB HIS 41 2HB HIS 41 -12.373 11.423 -5.390 308 2HB HIS 41 1HB HIS 41 -10.849 10.816 -6.025 309 HD1 HIS 41 1HD HIS 41 -14.289 9.549 -5.075 310 HD2 HIS 41 2HD HIS 41 -11.060 8.517 -7.477 311 HE1 HIS 41 1HE HIS 41 -15.063 7.574 -6.418 312 HE2 HIS 41 2HE HIS 41 -13.162 7.082 -7.986 313 H ILE 42 H ILE 42 -11.030 7.787 -4.467 314 HA ILE 42 HA ILE 42 -13.483 6.853 -3.540 315 HB ILE 42 HB ILE 42 -10.869 5.350 -3.760 316 1HG1 ILE 42 2HG1 ILE 42 -13.220 5.515 -5.644 317 2HG1 ILE 42 1HG1 ILE 42 -11.706 6.388 -5.847 318 1HG2 ILE 42 1HG2 ILE 42 -12.799 3.490 -4.120 319 2HG2 ILE 42 2HG2 ILE 42 -13.556 4.518 -2.903 320 3HG2 ILE 42 3HG2 ILE 42 -11.983 3.785 -2.584 321 1HD1 ILE 42 1HD1 ILE 42 -10.692 3.967 -5.675 322 2HD1 ILE 42 2HD1 ILE 42 -11.326 4.605 -7.193 323 3HD1 ILE 42 3HD1 ILE 42 -12.307 3.513 -6.217 324 H LYS 43 H LYS 43 -10.418 7.252 -1.818 325 HA LYS 43 HA LYS 43 -11.138 5.907 0.544 326 1HB LYS 43 2HB LYS 43 -8.829 6.747 -0.141 327 2HB LYS 43 1HB LYS 43 -9.340 8.330 0.414 328 1HG LYS 43 2HG LYS 43 -9.246 5.856 2.129 329 2HG LYS 43 1HG LYS 43 -7.983 7.081 2.058 330 1HD LYS 43 2HD LYS 43 -10.818 7.444 3.020 331 2HD LYS 43 1HD LYS 43 -9.353 7.473 3.993 332 1HE LYS 43 2HE LYS 43 -8.598 9.471 2.788 333 2HE LYS 43 1HE LYS 43 -10.079 9.451 1.836 334 1HZ LYS 43 1HZ LYS 43 -11.361 9.984 3.698 335 2HZ LYS 43 2HZ LYS 43 -10.006 10.987 3.830 336 3HZ LYS 43 3HZ LYS 43 -10.126 9.598 4.787 337 H LYS 44 H LYS 44 -11.333 9.359 -0.313 338 HA LYS 44 HA LYS 44 -12.457 10.261 2.073 339 1HB LYS 44 2HB LYS 44 -12.834 11.335 -0.726 340 2HB LYS 44 1HB LYS 44 -13.275 12.193 0.744 341 1HG LYS 44 2HG LYS 44 -10.925 12.162 1.451 342 2HG LYS 44 1HG LYS 44 -10.497 11.347 -0.053 343 1HD LYS 44 2HD LYS 44 -11.773 14.073 0.171 344 2HD LYS 44 1HD LYS 44 -10.069 13.760 -0.168 345 1HE LYS 44 2HE LYS 44 -10.692 12.590 -2.222 346 2HE LYS 44 1HE LYS 44 -12.395 12.893 -1.881 347 1HZ LYS 44 1HZ LYS 44 -12.021 14.661 -3.197 348 2HZ LYS 44 2HZ LYS 44 -10.357 14.696 -2.896 349 3HZ LYS 44 3HZ LYS 44 -11.432 15.364 -1.774 350 H GLU 45 H GLU 45 -14.086 9.070 -0.856 351 HA GLU 45 HA GLU 45 -16.708 9.627 -0.090 352 1HB GLU 45 2HB GLU 45 -15.678 7.314 -1.747 353 2HB GLU 45 1HB GLU 45 -17.362 7.809 -1.648 354 1HG GLU 45 2HG GLU 45 -15.101 9.491 -2.704 355 2HG GLU 45 1HG GLU 45 -16.283 8.621 -3.680 356 H PHE 46 H PHE 46 -14.875 6.592 0.374 357 HA PHE 46 HA PHE 46 -16.912 5.332 1.881 358 1HB PHE 46 2HB PHE 46 -13.964 4.799 1.580 359 2HB PHE 46 1HB PHE 46 -14.982 3.823 2.635 360 HD1 PHE 46 1HD PHE 46 -17.263 3.063 1.413 361 HD2 PHE 46 2HD PHE 46 -13.575 3.951 -0.515 362 HE1 PHE 46 1HE PHE 46 -17.935 1.671 -0.500 363 HE2 PHE 46 2HE PHE 46 -14.241 2.559 -2.435 364 HZ PHE 46 HZ PHE 46 -16.425 1.414 -2.428 365 H ASP 47 H ASP 47 -14.064 7.199 2.781 366 HA ASP 47 HA ASP 47 -14.185 6.852 5.554 367 1HB ASP 47 2HB ASP 47 -12.242 7.825 4.429 368 2HB ASP 47 1HB ASP 47 -13.201 9.220 3.944 369 H LYS 48 H LYS 48 -15.840 9.065 3.399 370 HA LYS 48 HA LYS 48 -17.025 10.608 5.511 371 1HB LYS 48 2HB LYS 48 -16.435 11.241 3.019 372 2HB LYS 48 1HB LYS 48 -18.045 10.612 2.701 373 1HG LYS 48 2HG LYS 48 -17.332 12.889 4.531 374 2HG LYS 48 1HG LYS 48 -18.133 12.995 2.962 375 1HD LYS 48 2HD LYS 48 -19.233 11.621 5.411 376 2HD LYS 48 1HD LYS 48 -19.722 13.206 4.816 377 1HE LYS 48 2HE LYS 48 -19.987 10.613 3.298 378 2HE LYS 48 1HE LYS 48 -21.294 11.431 4.155 379 1HZ LYS 48 1HZ LYS 48 -21.475 12.031 1.899 380 2HZ LYS 48 2HZ LYS 48 -19.827 12.380 1.763 381 3HZ LYS 48 3HZ LYS 48 -20.829 13.385 2.679 382 H LYS 49 H LYS 49 -18.127 8.156 3.220 383 HA LYS 49 HA LYS 49 -20.824 8.163 4.178 384 1HB LYS 49 2HB LYS 49 -19.370 6.256 2.356 385 2HB LYS 49 1HB LYS 49 -21.100 6.210 2.673 386 1HG LYS 49 2HG LYS 49 -19.571 8.439 1.348 387 2HG LYS 49 1HG LYS 49 -20.680 7.305 0.574 388 1HD LYS 49 2HD LYS 49 -22.505 8.175 1.984 389 2HD LYS 49 1HD LYS 49 -21.384 9.348 2.674 390 1HE LYS 49 2HE LYS 49 -22.209 9.138 -0.220 391 2HE LYS 49 1HE LYS 49 -22.711 10.383 0.924 392 1HZ LYS 49 1HZ LYS 49 -20.240 10.122 -0.551 393 2HZ LYS 49 2HZ LYS 49 -20.040 10.546 1.074 394 3HZ LYS 49 3HZ LYS 49 -20.996 11.506 0.061 395 H TYR 50 H TYR 50 -18.502 5.504 4.050 396 HA TYR 50 HA TYR 50 -19.925 4.054 6.071 397 1HB TYR 50 2HB TYR 50 -17.333 3.465 4.642 398 2HB TYR 50 1HB TYR 50 -18.118 2.362 5.769 399 HD1 TYR 50 1HD TYR 50 -19.137 4.417 2.808 400 HD2 TYR 50 2HD TYR 50 -19.309 0.657 4.783 401 HE1 TYR 50 1HE TYR 50 -20.518 3.541 0.987 402 HE2 TYR 50 2HE TYR 50 -20.690 -0.241 2.956 403 HH TYR 50 HH TYR 50 -20.937 1.040 0.035 404 H ASN 51 H ASN 51 -17.299 6.269 6.103 405 HA ASN 51 HA ASN 51 -16.414 7.296 7.983 406 1HB ASN 51 2HB ASN 51 -17.236 4.838 9.549 407 2HB ASN 51 1HB ASN 51 -16.519 6.298 10.216 408 1HD2 ASN 51 1HD2 ASN 51 -17.911 7.574 11.156 409 2HD2 ASN 51 2HD2 ASN 51 -19.566 7.796 10.711 410 HA PRO 52 HA PRO 52 -12.401 5.728 7.294 411 1HB PRO 52 2HB PRO 52 -11.159 6.660 9.606 412 2HB PRO 52 1HB PRO 52 -11.397 7.590 8.126 413 1HG PRO 52 2HG PRO 52 -13.006 7.580 10.641 414 2HG PRO 52 1HG PRO 52 -12.569 8.941 9.592 415 1HD PRO 52 2HD PRO 52 -15.022 7.867 9.529 416 2HD PRO 52 1HD PRO 52 -14.230 8.446 8.048 417 H THR 53 H THR 53 -11.109 3.180 9.481 418 HA THR 53 HA THR 53 -10.595 5.431 7.661 419 HB THR 53 HB THR 53 -9.220 5.444 9.717 420 HG1 THR 53 1HG THR 53 -7.695 4.818 7.410 421 1HG2 THR 53 1HG2 THR 53 -7.398 3.352 8.983 422 2HG2 THR 53 2HG2 THR 53 -9.000 2.700 9.321 423 3HG2 THR 53 3HG2 THR 53 -8.175 3.679 10.532 424 H TRP 54 H TRP 54 -10.792 4.770 5.654 425 HA TRP 54 HA TRP 54 -10.216 2.047 4.894 426 1HB TRP 54 2HB TRP 54 -11.171 4.386 3.247 427 2HB TRP 54 1HB TRP 54 -11.076 2.714 2.694 428 HD1 TRP 54 HD TRP 54 -12.747 4.590 5.648 429 HE1 TRP 54 1HE TRP 54 -15.050 3.541 6.045 430 HE3 TRP 54 3HE TRP 54 -12.585 0.958 2.062 431 HZ2 TRP 54 2HZ TRP 54 -16.611 1.429 4.962 432 HZ3 TRP 54 3HZ TRP 54 -14.525 -0.537 1.805 433 HH2 TRP 54 HH TRP 54 -16.494 -0.304 3.230 434 H HIS 55 H HIS 55 -8.405 1.322 4.125 435 HA HIS 55 HA HIS 55 -6.301 3.188 3.360 436 1HB HIS 55 2HB HIS 55 -6.155 0.173 3.570 437 2HB HIS 55 1HB HIS 55 -4.807 1.307 3.531 438 HD1 HIS 55 1HD HIS 55 -5.379 3.256 5.657 439 HD2 HIS 55 2HD HIS 55 -6.348 -0.754 6.095 440 HE1 HIS 55 1HE HIS 55 -5.516 2.871 8.137 441 HE2 HIS 55 2HE HIS 55 -5.981 0.405 8.379 442 H CYS 56 H CYS 56 -5.710 3.512 1.277 443 HA CYS 56 HA CYS 56 -6.944 1.750 -0.737 444 1HB CYS 56 2HB CYS 56 -6.411 4.716 -0.955 445 2HB CYS 56 1HB CYS 56 -7.077 3.700 -2.228 446 HG CYS 56 HG CYS 56 -8.603 4.736 0.224 447 H ILE 57 H ILE 57 -5.768 1.047 -2.408 448 HA ILE 57 HA ILE 57 -3.103 2.067 -2.930 449 HB ILE 57 HB ILE 57 -3.536 -0.824 -2.160 450 1HG1 ILE 57 2HG1 ILE 57 -2.018 1.374 -0.740 451 2HG1 ILE 57 1HG1 ILE 57 -3.530 0.649 -0.203 452 1HG2 ILE 57 1HG2 ILE 57 -1.564 -1.321 -3.074 453 2HG2 ILE 57 2HG2 ILE 57 -0.792 0.098 -2.370 454 3HG2 ILE 57 3HG2 ILE 57 -1.664 0.235 -3.897 455 1HD1 ILE 57 1HD1 ILE 57 -1.783 -1.489 -0.548 456 2HD1 ILE 57 2HD1 ILE 57 -2.326 -0.783 0.972 457 3HD1 ILE 57 3HD1 ILE 57 -0.831 -0.222 0.226 458 H VAL 58 H VAL 58 -2.553 1.795 -5.062 459 HA VAL 58 HA VAL 58 -3.934 -0.175 -6.680 460 HB VAL 58 HB VAL 58 -4.230 2.767 -7.298 461 1HG1 VAL 58 1HG1 VAL 58 -5.568 2.080 -9.181 462 2HG1 VAL 58 2HG1 VAL 58 -5.385 0.383 -8.737 463 3HG1 VAL 58 3HG1 VAL 58 -3.985 1.306 -9.284 464 1HG2 VAL 58 1HG2 VAL 58 -6.220 0.728 -6.318 465 2HG2 VAL 58 2HG2 VAL 58 -6.661 2.307 -6.968 466 3HG2 VAL 58 3HG2 VAL 58 -5.697 2.198 -5.495 467 H GLY 59 H GLY 59 -2.751 -0.849 -8.346 468 1HA GLY 59 2HA GLY 59 -0.919 0.656 -9.837 469 2HA GLY 59 1HA GLY 59 -0.031 -0.154 -8.553 470 H ARG 60 H ARG 60 1.015 -1.807 -9.486 471 HA ARG 60 HA ARG 60 -0.350 -4.090 -10.361 472 1HB ARG 60 2HB ARG 60 0.184 -4.090 -12.762 473 2HB ARG 60 1HB ARG 60 -0.921 -2.792 -12.335 474 1HG ARG 60 2HG ARG 60 0.960 -1.211 -12.338 475 2HG ARG 60 1HG ARG 60 2.036 -2.521 -12.825 476 1HD ARG 60 2HD ARG 60 0.707 -2.842 -14.864 477 2HD ARG 60 1HD ARG 60 -0.345 -1.513 -14.379 478 HE ARG 60 HE ARG 60 2.155 -1.295 -15.682 479 1HH1 ARG 60 1HH1 ARG 60 0.178 0.263 -13.263 480 2HH1 ARG 60 2HH1 ARG 60 0.920 1.812 -13.478 481 1HH2 ARG 60 1HH2 ARG 60 3.126 0.742 -15.967 482 2HH2 ARG 60 2HH2 ARG 60 2.590 2.086 -15.013 483 H ASN 61 H ASN 61 1.869 -3.384 -8.692 484 HA ASN 61 HA ASN 61 3.580 -5.472 -9.005 485 1HB ASN 61 2HB ASN 61 4.320 -4.549 -11.144 486 2HB ASN 61 1HB ASN 61 4.706 -3.016 -10.370 487 1HD2 ASN 61 1HD2 ASN 61 6.722 -2.726 -9.844 488 2HD2 ASN 61 2HD2 ASN 61 7.905 -3.958 -9.577 489 H PHE 62 H PHE 62 3.128 -5.151 -6.725 490 HA PHE 62 HA PHE 62 5.242 -3.754 -5.395 491 1HB PHE 62 2HB PHE 62 3.828 -2.167 -4.161 492 2HB PHE 62 1HB PHE 62 3.811 -1.861 -5.894 493 HD1 PHE 62 1HD PHE 62 1.883 -3.572 -3.215 494 HD2 PHE 62 2HD PHE 62 1.784 -1.664 -7.016 495 HE1 PHE 62 1HE PHE 62 -0.574 -3.686 -3.204 496 HE2 PHE 62 2HE PHE 62 -0.672 -1.771 -7.011 497 HZ PHE 62 HZ PHE 62 -1.856 -2.783 -5.103 498 H GLY 63 H GLY 63 5.626 -4.499 -3.420 499 1HA GLY 63 2HA GLY 63 3.895 -6.650 -2.419 500 2HA GLY 63 1HA GLY 63 5.529 -6.286 -1.866 501 H SER 64 H SER 64 2.826 -6.573 -0.410 502 HA SER 64 HA SER 64 3.306 -4.337 1.354 503 1HB SER 64 2HB SER 64 0.702 -4.490 -0.167 504 2HB SER 64 1HB SER 64 1.000 -3.430 1.209 505 HG SER 64 HG SER 64 2.229 -3.387 -1.337 506 H TYR 65 H TYR 65 2.182 -4.365 3.301 507 HA TYR 65 HA TYR 65 0.534 -6.671 3.943 508 1HB TYR 65 2HB TYR 65 3.221 -6.119 5.152 509 2HB TYR 65 1HB TYR 65 1.962 -6.875 6.123 510 HD1 TYR 65 1HD TYR 65 3.702 -7.258 2.837 511 HD2 TYR 65 2HD TYR 65 1.724 -9.166 6.081 512 HE1 TYR 65 1HE TYR 65 4.252 -9.453 1.874 513 HE2 TYR 65 2HE TYR 65 2.270 -11.364 5.135 514 HH TYR 65 HH TYR 65 4.382 -12.127 3.348 515 H VAL 66 H VAL 66 -0.900 -6.299 5.588 516 HA VAL 66 HA VAL 66 -0.763 -3.906 7.219 517 HB VAL 66 HB VAL 66 -3.009 -4.277 5.229 518 1HG1 VAL 66 1HG1 VAL 66 -3.960 -3.251 7.092 519 2HG1 VAL 66 2HG1 VAL 66 -3.548 -1.900 6.036 520 3HG1 VAL 66 3HG1 VAL 66 -2.523 -2.292 7.411 521 1HG2 VAL 66 1HG2 VAL 66 -1.111 -3.524 4.013 522 2HG2 VAL 66 2HG2 VAL 66 -0.694 -2.350 5.261 523 3HG2 VAL 66 3HG2 VAL 66 -2.138 -2.115 4.275 524 H THR 67 H THR 67 -2.735 -3.769 8.681 525 HA THR 67 HA THR 67 -3.939 -6.421 9.111 526 HB THR 67 HB THR 67 -2.947 -4.516 11.247 527 HG1 THR 67 1HG THR 67 -1.313 -5.869 11.502 528 1HG2 THR 67 1HG2 THR 67 -4.761 -5.531 12.264 529 2HG2 THR 67 2HG2 THR 67 -3.405 -6.561 12.722 530 3HG2 THR 67 3HG2 THR 67 -4.497 -7.062 11.431 531 H HIS 68 H HIS 68 -6.096 -6.450 9.701 532 HA HIS 68 HA HIS 68 -7.509 -4.017 10.341 533 1HB HIS 68 2HB HIS 68 -8.920 -4.084 8.298 534 2HB HIS 68 1HB HIS 68 -7.227 -3.738 7.938 535 HD1 HIS 68 1HD HIS 68 -9.719 -6.568 7.795 536 HD2 HIS 68 2HD HIS 68 -5.968 -5.568 6.314 537 HE1 HIS 68 1HE HIS 68 -9.131 -8.390 6.172 538 HE2 HIS 68 2HE HIS 68 -6.825 -7.813 5.354 539 H GLU 69 H GLU 69 -9.685 -4.373 10.934 540 HA GLU 69 HA GLU 69 -10.243 -6.844 12.145 541 1HB GLU 69 2HB GLU 69 -12.453 -5.942 12.592 542 2HB GLU 69 1HB GLU 69 -11.239 -4.697 12.856 543 1HG GLU 69 2HG GLU 69 -11.747 -3.774 10.630 544 2HG GLU 69 1HG GLU 69 -13.017 -4.983 10.446 545 H THR 70 H THR 70 -11.635 -8.517 11.599 546 HA THR 70 HA THR 70 -11.710 -9.288 8.918 547 HB THR 70 HB THR 70 -13.228 -11.089 9.664 548 HG1 THR 70 1HG THR 70 -14.212 -11.012 11.545 549 1HG2 THR 70 1HG2 THR 70 -11.476 -12.173 10.447 550 2HG2 THR 70 2HG2 THR 70 -11.560 -11.277 11.963 551 3HG2 THR 70 3HG2 THR 70 -10.623 -10.640 10.612 552 H LYS 71 H LYS 71 -13.450 -9.593 7.475 553 HA LYS 71 HA LYS 71 -15.303 -8.998 6.308 554 1HB LYS 71 2HB LYS 71 -16.337 -8.134 9.013 555 2HB LYS 71 1HB LYS 71 -17.307 -8.234 7.551 556 1HG LYS 71 2HG LYS 71 -15.928 -10.530 8.922 557 2HG LYS 71 1HG LYS 71 -17.657 -10.175 8.954 558 1HD LYS 71 2HD LYS 71 -17.764 -10.488 6.529 559 2HD LYS 71 1HD LYS 71 -16.034 -10.845 6.499 560 1HE LYS 71 2HE LYS 71 -17.355 -12.895 6.441 561 2HE LYS 71 1HE LYS 71 -16.407 -12.792 7.924 562 1HZ LYS 71 1HZ LYS 71 -18.748 -13.538 8.227 563 2HZ LYS 71 2HZ LYS 71 -19.259 -11.998 7.753 564 3HZ LYS 71 3HZ LYS 71 -18.326 -12.185 9.152 565 H HIS 72 H HIS 72 -13.124 -7.227 6.466 566 HA HIS 72 HA HIS 72 -14.416 -4.814 5.574 567 1HB HIS 72 2HB HIS 72 -12.557 -4.719 7.960 568 2HB HIS 72 1HB HIS 72 -13.117 -3.312 7.068 569 HD1 HIS 72 1HD HIS 72 -14.555 -6.147 9.151 570 HD2 HIS 72 2HD HIS 72 -15.436 -2.253 8.001 571 HE1 HIS 72 1HE HIS 72 -16.632 -5.525 10.424 572 HE2 HIS 72 2HE HIS 72 -17.200 -3.198 9.640 573 H PHE 73 H PHE 73 -13.146 -6.376 3.930 574 HA PHE 73 HA PHE 73 -10.914 -4.834 3.053 575 1HB PHE 73 2HB PHE 73 -9.758 -6.179 4.728 576 2HB PHE 73 1HB PHE 73 -10.395 -7.654 4.013 577 HD1 PHE 73 1HD PHE 73 -9.788 -7.985 1.458 578 HD2 PHE 73 2HD PHE 73 -7.643 -5.508 4.171 579 HE1 PHE 73 1HE PHE 73 -7.807 -8.120 0.008 580 HE2 PHE 73 2HE PHE 73 -5.657 -5.637 2.726 581 HZ PHE 73 HZ PHE 73 -5.737 -6.945 0.641 582 H ILE 74 H ILE 74 -10.404 -5.177 0.900 583 HA ILE 74 HA ILE 74 -11.457 -7.455 -0.516 584 HB ILE 74 HB ILE 74 -13.443 -5.977 -0.300 585 1HG1 ILE 74 2HG1 ILE 74 -13.102 -7.529 -2.247 586 2HG1 ILE 74 1HG1 ILE 74 -14.162 -6.166 -2.579 587 1HG2 ILE 74 1HG2 ILE 74 -12.262 -3.834 -0.308 588 2HG2 ILE 74 2HG2 ILE 74 -13.547 -3.881 -1.515 589 3HG2 ILE 74 3HG2 ILE 74 -11.864 -4.064 -2.009 590 1HD1 ILE 74 1HD1 ILE 74 -11.694 -5.234 -3.346 591 2HD1 ILE 74 2HD1 ILE 74 -12.944 -5.876 -4.410 592 3HD1 ILE 74 3HD1 ILE 74 -11.659 -6.931 -3.824 593 H TYR 75 H TYR 75 -10.330 -7.869 -2.310 594 HA TYR 75 HA TYR 75 -8.635 -5.773 -3.483 595 1HB TYR 75 2HB TYR 75 -7.222 -7.106 -1.982 596 2HB TYR 75 1HB TYR 75 -7.754 -8.583 -2.774 597 HD1 TYR 75 1HD TYR 75 -6.351 -5.287 -3.873 598 HD2 TYR 75 2HD TYR 75 -6.180 -9.529 -4.143 599 HE1 TYR 75 1HE TYR 75 -4.476 -5.107 -5.456 600 HE2 TYR 75 2HE TYR 75 -4.308 -9.361 -5.724 601 HH TYR 75 HH TYR 75 -3.333 -7.787 -7.262 602 H PHE 76 H PHE 76 -8.398 -5.924 -5.733 603 HA PHE 76 HA PHE 76 -9.138 -8.247 -7.201 604 1HB PHE 76 2HB PHE 76 -11.199 -7.378 -8.221 605 2HB PHE 76 1HB PHE 76 -11.373 -7.585 -6.483 606 HD1 PHE 76 1HD PHE 76 -10.546 -5.319 -5.165 607 HD2 PHE 76 2HD PHE 76 -12.211 -5.526 -9.072 608 HE1 PHE 76 1HE PHE 76 -11.270 -2.978 -4.974 609 HE2 PHE 76 2HE PHE 76 -12.938 -3.184 -8.891 610 HZ PHE 76 HZ PHE 76 -12.468 -1.906 -6.839 611 H TYR 77 H TYR 77 -8.433 -8.167 -9.254 612 HA TYR 77 HA TYR 77 -6.925 -5.844 -10.095 613 1HB TYR 77 2HB TYR 77 -6.198 -8.283 -10.353 614 2HB TYR 77 1HB TYR 77 -7.372 -8.387 -11.660 615 HD1 TYR 77 1HD TYR 77 -4.621 -6.096 -10.584 616 HD2 TYR 77 2HD TYR 77 -6.523 -8.145 -13.788 617 HE1 TYR 77 1HE TYR 77 -2.928 -5.222 -12.139 618 HE2 TYR 77 2HE TYR 77 -4.836 -7.277 -15.353 619 HH TYR 77 HH TYR 77 -1.961 -5.780 -14.311 620 H LEU 78 H LEU 78 -7.245 -4.790 -12.190 621 HA LEU 78 HA LEU 78 -9.669 -5.303 -13.651 622 1HB LEU 78 2HB LEU 78 -10.588 -4.076 -11.771 623 2HB LEU 78 1HB LEU 78 -9.438 -2.779 -12.024 624 HG LEU 78 HG LEU 78 -10.482 -2.234 -14.163 625 1HD1 LEU 78 1HD1 LEU 78 -11.614 -4.837 -13.879 626 2HD1 LEU 78 2HD1 LEU 78 -11.674 -3.744 -15.262 627 3HD1 LEU 78 3HD1 LEU 78 -12.917 -3.655 -14.014 628 1HD2 LEU 78 1HD2 LEU 78 -12.064 -2.284 -11.648 629 2HD2 LEU 78 2HD2 LEU 78 -12.871 -1.783 -13.133 630 3HD2 LEU 78 3HD2 LEU 78 -11.443 -0.915 -12.569 631 H GLY 79 H GLY 79 -9.464 -4.721 -15.699 632 1HA GLY 79 2HA GLY 79 -8.704 -3.745 -17.624 633 2HA GLY 79 1HA GLY 79 -8.208 -2.377 -16.639 634 H GLN 80 H GLN 80 -6.220 -2.878 -15.254 635 HA GLN 80 HA GLN 80 -4.371 -4.808 -15.999 636 1HB GLN 80 2HB GLN 80 -2.770 -3.477 -17.319 637 2HB GLN 80 1HB GLN 80 -4.299 -3.685 -18.163 638 1HG GLN 80 2HG GLN 80 -4.974 -1.435 -17.500 639 2HG GLN 80 1HG GLN 80 -3.442 -1.227 -16.652 640 1HE2 GLN 80 1HE2 GLN 80 -5.027 -0.474 -19.386 641 2HE2 GLN 80 2HE2 GLN 80 -3.695 -0.256 -20.465 642 H VAL 81 H VAL 81 -5.352 -3.541 -13.690 643 HA VAL 81 HA VAL 81 -2.880 -2.917 -12.364 644 HB VAL 81 HB VAL 81 -3.636 -0.752 -11.436 645 1HG1 VAL 81 1HG1 VAL 81 -2.153 -0.922 -13.455 646 2HG1 VAL 81 2HG1 VAL 81 -3.041 0.594 -13.303 647 3HG1 VAL 81 3HG1 VAL 81 -3.584 -0.636 -14.444 648 1HG2 VAL 81 1HG2 VAL 81 -5.889 -0.518 -11.559 649 2HG2 VAL 81 2HG2 VAL 81 -6.003 -1.356 -13.106 650 3HG2 VAL 81 3HG2 VAL 81 -5.471 0.324 -13.051 651 H ALA 82 H ALA 82 -2.984 -3.536 -10.266 652 HA ALA 82 HA ALA 82 -5.424 -4.777 -9.359 653 1HB ALA 82 1HB ALA 82 -2.603 -4.929 -8.704 654 2HB ALA 82 2HB ALA 82 -3.874 -6.136 -8.522 655 3HB ALA 82 3HB ALA 82 -3.626 -4.922 -7.268 656 H ILE 83 H ILE 83 -6.912 -3.894 -8.095 657 HA ILE 83 HA ILE 83 -6.270 -1.381 -6.715 658 HB ILE 83 HB ILE 83 -8.969 -2.531 -7.448 659 1HG1 ILE 83 2HG1 ILE 83 -9.056 -0.389 -8.835 660 2HG1 ILE 83 1HG1 ILE 83 -7.325 -0.256 -8.551 661 1HG2 ILE 83 1HG2 ILE 83 -8.171 -0.320 -5.660 662 2HG2 ILE 83 2HG2 ILE 83 -9.601 -1.351 -5.626 663 3HG2 ILE 83 3HG2 ILE 83 -9.514 0.000 -6.757 664 1HD1 ILE 83 1HD1 ILE 83 -7.884 -2.880 -9.478 665 2HD1 ILE 83 2HD1 ILE 83 -6.938 -1.605 -10.248 666 3HD1 ILE 83 3HD1 ILE 83 -8.673 -1.716 -10.543 667 H LEU 84 H LEU 84 -6.558 -1.162 -4.536 668 HA LEU 84 HA LEU 84 -7.614 -3.458 -3.050 669 1HB LEU 84 2HB LEU 84 -5.190 -3.714 -3.085 670 2HB LEU 84 1HB LEU 84 -4.990 -2.076 -2.491 671 HG LEU 84 HG LEU 84 -6.095 -2.727 -0.376 672 1HD1 LEU 84 1HD1 LEU 84 -7.088 -4.700 -0.036 673 2HD1 LEU 84 2HD1 LEU 84 -5.792 -5.596 -0.827 674 3HD1 LEU 84 3HD1 LEU 84 -7.069 -4.857 -1.792 675 1HD2 LEU 84 1HD2 LEU 84 -3.960 -4.744 -0.636 676 2HD2 LEU 84 2HD2 LEU 84 -4.149 -3.429 0.525 677 3HD2 LEU 84 3HD2 LEU 84 -3.531 -3.097 -1.093 678 H LEU 85 H LEU 85 -8.751 -2.948 -1.243 679 HA LEU 85 HA LEU 85 -8.581 -0.326 -0.055 680 1HB LEU 85 2HB LEU 85 -10.050 0.131 -1.938 681 2HB LEU 85 1HB LEU 85 -11.091 -1.204 -1.478 682 HG LEU 85 HG LEU 85 -11.687 -0.033 0.596 683 1HD1 LEU 85 1HD1 LEU 85 -10.903 2.587 0.164 684 2HD1 LEU 85 2HD1 LEU 85 -9.458 1.640 -0.187 685 3HD1 LEU 85 3HD1 LEU 85 -10.259 1.481 1.376 686 1HD2 LEU 85 1HD2 LEU 85 -13.315 1.145 -0.416 687 2HD2 LEU 85 2HD2 LEU 85 -12.642 0.439 -1.886 688 3HD2 LEU 85 3HD2 LEU 85 -12.181 2.072 -1.400 689 H PHE 86 H PHE 86 -9.277 -0.301 2.036 690 HA PHE 86 HA PHE 86 -11.161 -2.078 3.138 691 1HB PHE 86 2HB PHE 86 -9.706 -3.578 4.407 692 2HB PHE 86 1HB PHE 86 -9.449 -3.771 2.679 693 HD1 PHE 86 1HD PHE 86 -7.532 -2.116 1.744 694 HD2 PHE 86 2HD PHE 86 -7.855 -3.594 5.720 695 HE1 PHE 86 1HE PHE 86 -5.120 -1.762 2.066 696 HE2 PHE 86 2HE PHE 86 -5.450 -3.243 6.048 697 HZ PHE 86 HZ PHE 86 -4.076 -2.327 4.221 698 H LYS 87 H LYS 87 -11.881 -1.194 4.957 699 HA LYS 87 HA LYS 87 -10.468 1.036 6.103 700 1HB LYS 87 2HB LYS 87 -12.449 1.424 7.399 701 2HB LYS 87 1HB LYS 87 -12.916 1.068 5.749 702 1HG LYS 87 2HG LYS 87 -14.434 -0.196 6.873 703 2HG LYS 87 1HG LYS 87 -13.137 -1.376 6.675 704 1HD LYS 87 2HD LYS 87 -13.613 -1.617 8.913 705 2HD LYS 87 1HD LYS 87 -12.327 -0.413 8.971 706 1HE LYS 87 2HE LYS 87 -15.282 0.176 9.046 707 2HE LYS 87 1HE LYS 87 -14.200 0.177 10.437 708 1HZ LYS 87 1HZ LYS 87 -14.451 2.405 9.749 709 2HZ LYS 87 2HZ LYS 87 -14.171 2.029 8.124 710 3HZ LYS 87 3HZ LYS 87 -12.906 1.936 9.246 711 H SER 88 H SER 88 -10.258 1.283 8.465 712 HA SER 88 HA SER 88 -9.814 -1.218 9.905 713 1HB SER 88 2HB SER 88 -7.644 -0.667 8.907 714 2HB SER 88 1HB SER 88 -7.723 0.949 9.611 715 HG SER 88 HG SER 88 -7.627 0.011 11.660 716 H GLY 89 H GLY 89 -10.405 -1.107 11.993 717 1HA GLY 89 2HA GLY 89 -11.835 1.097 12.977 718 2HA GLY 89 1HA GLY 89 -11.267 -0.256 13.943 719 1H MET 1 1HT MET 1 31.512 1.366 7.089 720 2H MET 1 2HT MET 1 32.588 0.122 7.573 721 3H MET 1 3HT MET 1 30.932 0.045 8.014 722 HA MET 1 HA MET 1 32.015 -0.079 5.279 723 1HB MET 1 2HB MET 1 30.825 -2.190 7.091 724 2HB MET 1 1HB MET 1 31.261 -2.435 5.406 725 1HG MET 1 2HG MET 1 33.600 -1.959 5.948 726 2HG MET 1 1HG MET 1 33.155 -1.744 7.639 727 1HE MET 1 1HE MET 1 34.944 -4.729 8.347 728 2HE MET 1 2HE MET 1 35.204 -3.123 7.666 729 3HE MET 1 3HE MET 1 35.406 -4.553 6.654 730 H CYS 2 H CYS 2 30.164 1.853 5.775 731 HA CYS 2 HA CYS 2 28.148 2.634 5.074 732 1HB CYS 2 2HB CYS 2 28.001 -0.014 3.616 733 2HB CYS 2 1HB CYS 2 26.948 1.366 3.328 734 HG CYS 2 HG CYS 2 28.656 2.359 1.883 735 H ASP 3 H ASP 3 26.109 2.730 5.893 736 HA ASP 3 HA ASP 3 24.794 0.399 6.963 737 1HB ASP 3 2HB ASP 3 25.720 2.592 8.832 738 2HB ASP 3 1HB ASP 3 24.628 1.282 9.268 739 H ARG 4 H ARG 4 22.639 0.641 6.939 740 HA ARG 4 HA ARG 4 20.597 1.544 6.542 741 1HB ARG 4 2HB ARG 4 21.891 3.869 7.942 742 2HB ARG 4 1HB ARG 4 20.195 3.848 7.474 743 1HG ARG 4 2HG ARG 4 20.048 1.669 8.803 744 2HG ARG 4 1HG ARG 4 21.602 2.146 9.493 745 1HD ARG 4 2HD ARG 4 19.098 3.805 9.511 746 2HD ARG 4 1HD ARG 4 19.691 2.851 10.870 747 HE ARG 4 HE ARG 4 21.733 4.577 10.056 748 1HH1 ARG 4 1HH1 ARG 4 18.566 4.753 11.508 749 2HH1 ARG 4 2HH1 ARG 4 18.908 6.210 12.379 750 1HH2 ARG 4 1HH2 ARG 4 22.186 6.493 11.200 751 2HH2 ARG 4 2HH2 ARG 4 20.964 7.197 12.204 752 H LYS 5 H LYS 5 22.322 1.572 4.369 753 HA LYS 5 HA LYS 5 22.745 3.901 3.006 754 1HB LYS 5 2HB LYS 5 22.521 2.617 0.912 755 2HB LYS 5 1HB LYS 5 23.490 1.781 2.112 756 1HG LYS 5 2HG LYS 5 20.583 1.177 1.642 757 2HG LYS 5 1HG LYS 5 21.894 0.361 0.793 758 1HD LYS 5 2HD LYS 5 22.812 -0.157 3.142 759 2HD LYS 5 1HD LYS 5 21.201 0.284 3.712 760 1HE LYS 5 2HE LYS 5 21.412 -2.131 3.378 761 2HE LYS 5 1HE LYS 5 20.209 -1.427 2.302 762 1HZ LYS 5 1HZ LYS 5 22.904 -1.598 1.240 763 2HZ LYS 5 2HZ LYS 5 21.422 -1.908 0.487 764 3HZ LYS 5 3HZ LYS 5 22.123 -3.077 1.487 765 H ALA 6 H ALA 6 19.699 2.364 3.653 766 HA ALA 6 HA ALA 6 18.003 3.348 1.751 767 1HB ALA 6 1HB ALA 6 17.182 3.486 4.618 768 2HB ALA 6 2HB ALA 6 17.547 1.928 3.881 769 3HB ALA 6 3HB ALA 6 16.266 2.939 3.215 770 H VAL 7 H VAL 7 17.184 5.292 1.166 771 HA VAL 7 HA VAL 7 18.106 7.634 2.631 772 HB VAL 7 HB VAL 7 17.346 8.893 0.672 773 1HG1 VAL 7 1HG1 VAL 7 19.557 8.544 0.366 774 2HG1 VAL 7 2HG1 VAL 7 18.991 7.529 -0.961 775 3HG1 VAL 7 3HG1 VAL 7 19.414 6.800 0.589 776 1HG2 VAL 7 1HG2 VAL 7 16.806 6.206 -0.572 777 2HG2 VAL 7 2HG2 VAL 7 16.634 7.781 -1.346 778 3HG2 VAL 7 3HG2 VAL 7 15.563 7.329 -0.020 779 H ILE 8 H ILE 8 16.788 9.057 3.599 780 HA ILE 8 HA ILE 8 14.016 8.264 3.995 781 HB ILE 8 HB ILE 8 15.675 10.417 5.315 782 1HG1 ILE 8 2HG1 ILE 8 15.436 8.958 7.311 783 2HG1 ILE 8 1HG1 ILE 8 14.607 7.767 6.315 784 1HG2 ILE 8 1HG2 ILE 8 13.584 10.221 6.949 785 2HG2 ILE 8 2HG2 ILE 8 12.772 9.836 5.432 786 3HG2 ILE 8 3HG2 ILE 8 13.632 11.366 5.608 787 1HD1 ILE 8 1HD1 ILE 8 16.545 7.228 5.147 788 2HD1 ILE 8 2HD1 ILE 8 17.082 7.413 6.817 789 3HD1 ILE 8 3HD1 ILE 8 17.370 8.704 5.649 790 H LYS 9 H LYS 9 12.227 9.519 3.497 791 HA LYS 9 HA LYS 9 12.744 11.861 1.787 792 1HB LYS 9 2HB LYS 9 10.636 9.731 1.407 793 2HB LYS 9 1HB LYS 9 10.733 11.218 0.473 794 1HG LYS 9 2HG LYS 9 12.801 9.032 0.557 795 2HG LYS 9 1HG LYS 9 11.682 9.372 -0.764 796 1HD LYS 9 2HD LYS 9 12.708 11.576 -1.062 797 2HD LYS 9 1HD LYS 9 13.826 11.236 0.260 798 1HE LYS 9 2HE LYS 9 14.941 10.858 -1.839 799 2HE LYS 9 1HE LYS 9 14.700 9.314 -1.025 800 1HZ LYS 9 1HZ LYS 9 14.033 8.818 -3.139 801 2HZ LYS 9 2HZ LYS 9 13.407 10.360 -3.443 802 3HZ LYS 9 3HZ LYS 9 12.548 9.278 -2.469 803 H ASN 10 H ASN 10 10.233 10.258 3.772 804 HA ASN 10 HA ASN 10 9.056 12.903 4.247 805 1HB ASN 10 2HB ASN 10 7.967 10.127 4.680 806 2HB ASN 10 1HB ASN 10 7.164 11.571 5.289 807 1HD2 ASN 10 1HD2 ASN 10 6.803 9.436 3.024 808 2HD2 ASN 10 2HD2 ASN 10 6.264 10.400 1.696 809 H ALA 11 H ALA 11 9.783 9.980 6.161 810 HA ALA 11 HA ALA 11 10.493 9.711 8.304 811 1HB ALA 11 1HB ALA 11 12.422 10.769 8.568 812 2HB ALA 11 2HB ALA 11 11.579 12.284 8.895 813 3HB ALA 11 3HB ALA 11 11.994 11.845 7.237 814 H ASP 12 H ASP 12 9.581 9.823 10.271 815 HA ASP 12 HA ASP 12 8.475 12.062 11.504 816 1HB ASP 12 2HB ASP 12 6.786 11.978 9.717 817 2HB ASP 12 1HB ASP 12 6.401 10.318 10.152 818 H MET 13 H MET 13 10.094 10.129 12.375 819 HA MET 13 HA MET 13 8.582 8.940 14.544 820 1HB MET 13 2HB MET 13 10.172 7.291 12.571 821 2HB MET 13 1HB MET 13 9.693 6.704 14.157 822 1HG MET 13 2HG MET 13 7.406 6.782 13.603 823 2HG MET 13 1HG MET 13 7.723 7.702 12.135 824 1HE MET 13 1HE MET 13 9.820 4.340 13.232 825 2HE MET 13 2HE MET 13 8.517 3.234 12.796 826 3HE MET 13 3HE MET 13 8.254 4.463 14.034 827 H SER 14 H SER 14 9.764 8.787 16.395 828 HA SER 14 HA SER 14 12.000 10.282 16.835 829 1HB SER 14 2HB SER 14 12.378 8.900 18.874 830 2HB SER 14 1HB SER 14 10.698 9.392 18.674 831 HG SER 14 HG SER 14 11.866 6.862 18.351 832 H GLU 15 H GLU 15 14.215 9.928 16.982 833 HA GLU 15 HA GLU 15 15.548 8.736 14.987 834 1HB GLU 15 2HB GLU 15 17.550 8.693 16.412 835 2HB GLU 15 1HB GLU 15 16.643 10.188 16.583 836 1HG GLU 15 2HG GLU 15 15.659 9.348 18.660 837 2HG GLU 15 1HG GLU 15 16.590 7.860 18.492 838 H GLU 16 H GLU 16 14.795 7.104 18.040 839 HA GLU 16 HA GLU 16 16.096 4.689 17.396 840 1HB GLU 16 2HB GLU 16 14.777 3.712 19.243 841 2HB GLU 16 1HB GLU 16 15.561 5.221 19.692 842 1HG GLU 16 2HG GLU 16 13.464 6.415 19.400 843 2HG GLU 16 1HG GLU 16 12.670 4.919 18.912 844 H MET 17 H MET 17 12.716 5.689 17.029 845 HA MET 17 HA MET 17 11.777 3.209 16.102 846 1HB MET 17 2HB MET 17 10.730 6.000 15.618 847 2HB MET 17 1HB MET 17 9.862 4.531 15.199 848 1HG MET 17 2HG MET 17 9.748 3.889 17.517 849 2HG MET 17 1HG MET 17 10.721 5.281 17.979 850 1HE MET 17 1HE MET 17 7.245 5.709 15.422 851 2HE MET 17 2HE MET 17 6.460 4.864 16.756 852 3HE MET 17 3HE MET 17 7.862 4.147 15.962 853 H GLN 18 H GLN 18 12.953 6.056 14.351 854 HA GLN 18 HA GLN 18 12.482 4.967 11.784 855 1HB GLN 18 2HB GLN 18 14.007 6.767 10.985 856 2HB GLN 18 1HB GLN 18 12.691 7.337 12.001 857 1HG GLN 18 2HG GLN 18 14.255 7.398 13.915 858 2HG GLN 18 1HG GLN 18 15.561 6.951 12.814 859 1HE2 GLN 18 1HE2 GLN 18 13.889 9.468 14.208 860 2HE2 GLN 18 2HE2 GLN 18 14.430 10.749 13.190 861 H GLN 19 H GLN 19 15.308 4.895 13.916 862 HA GLN 19 HA GLN 19 16.993 3.712 11.937 863 1HB GLN 19 2HB GLN 19 18.575 3.311 13.736 864 2HB GLN 19 1HB GLN 19 17.932 4.944 13.840 865 1HG GLN 19 2HG GLN 19 16.480 4.299 15.647 866 2HG GLN 19 1HG GLN 19 16.985 2.619 15.496 867 1HE2 GLN 19 1HE2 GLN 19 17.607 5.599 16.963 868 2HE2 GLN 19 2HE2 GLN 19 19.110 5.194 17.710 869 H ASP 20 H ASP 20 14.781 2.458 14.354 870 HA ASP 20 HA ASP 20 15.699 -0.230 14.208 871 1HB ASP 20 2HB ASP 20 14.366 0.616 16.110 872 2HB ASP 20 1HB ASP 20 12.981 0.814 15.039 873 H SER 21 H SER 21 13.200 1.601 12.527 874 HA SER 21 HA SER 21 12.176 -0.629 11.086 875 1HB SER 21 2HB SER 21 10.846 1.414 11.385 876 2HB SER 21 1HB SER 21 12.024 2.331 10.447 877 HG SER 21 HG SER 21 10.812 1.784 8.821 878 H VAL 22 H VAL 22 14.525 1.910 10.351 879 HA VAL 22 HA VAL 22 15.072 1.065 7.708 880 HB VAL 22 HB VAL 22 16.878 2.595 9.588 881 1HG1 VAL 22 1HG1 VAL 22 18.358 2.790 7.932 882 2HG1 VAL 22 2HG1 VAL 22 17.104 3.186 6.758 883 3HG1 VAL 22 3HG1 VAL 22 17.477 1.500 7.114 884 1HG2 VAL 22 1HG2 VAL 22 15.783 4.509 9.092 885 2HG2 VAL 22 2HG2 VAL 22 14.432 3.405 8.835 886 3HG2 VAL 22 3HG2 VAL 22 15.374 3.983 7.460 887 H GLU 23 H GLU 23 16.585 0.363 10.828 888 HA GLU 23 HA GLU 23 18.664 -1.248 9.768 889 1HB GLU 23 2HB GLU 23 18.865 -0.230 11.965 890 2HB GLU 23 1HB GLU 23 17.452 -1.107 12.533 891 1HG GLU 23 2HG GLU 23 19.451 -2.129 13.376 892 2HG GLU 23 1HG GLU 23 18.654 -3.213 12.238 893 H CYS 24 H CYS 24 15.474 -1.899 11.110 894 HA CYS 24 HA CYS 24 15.628 -4.718 11.014 895 1HB CYS 24 2HB CYS 24 13.970 -3.488 12.369 896 2HB CYS 24 1HB CYS 24 13.185 -2.936 10.894 897 HG CYS 24 HG CYS 24 11.795 -4.929 11.263 898 H ALA 25 H ALA 25 14.691 -2.284 8.669 899 HA ALA 25 HA ALA 25 13.561 -4.071 6.774 900 1HB ALA 25 1HB ALA 25 13.228 -1.546 6.918 901 2HB ALA 25 2HB ALA 25 13.458 -2.232 5.309 902 3HB ALA 25 3HB ALA 25 14.792 -1.409 6.115 903 H THR 26 H THR 26 16.756 -2.732 7.350 904 HA THR 26 HA THR 26 17.994 -3.610 5.015 905 HB THR 26 HB THR 26 19.185 -3.256 7.770 906 HG1 THR 26 1HG THR 26 18.200 -1.378 6.879 907 1HG2 THR 26 1HG2 THR 26 20.419 -3.893 5.180 908 2HG2 THR 26 2HG2 THR 26 20.994 -4.185 6.822 909 3HG2 THR 26 3HG2 THR 26 21.171 -2.587 6.096 910 H GLN 27 H GLN 27 17.623 -5.165 8.162 911 HA GLN 27 HA GLN 27 19.042 -7.520 7.571 912 1HB GLN 27 2HB GLN 27 16.711 -7.131 9.461 913 2HB GLN 27 1HB GLN 27 17.794 -8.515 9.455 914 1HG GLN 27 2HG GLN 27 19.668 -7.047 10.013 915 2HG GLN 27 1HG GLN 27 18.573 -5.664 10.031 916 1HE2 GLN 27 1HE2 GLN 27 17.987 -5.070 11.979 917 2HE2 GLN 27 2HE2 GLN 27 17.793 -6.101 13.351 918 H ALA 28 H ALA 28 15.690 -6.566 7.090 919 HA ALA 28 HA ALA 28 14.573 -8.995 6.351 920 1HB ALA 28 1HB ALA 28 13.625 -6.501 6.578 921 2HB ALA 28 2HB ALA 28 12.760 -7.788 5.741 922 3HB ALA 28 3HB ALA 28 13.710 -6.621 4.821 923 H LEU 29 H LEU 29 16.232 -6.591 4.316 924 HA LEU 29 HA LEU 29 15.855 -7.975 1.897 925 1HB LEU 29 2HB LEU 29 17.875 -5.927 2.756 926 2HB LEU 29 1HB LEU 29 17.852 -6.594 1.132 927 HG LEU 29 HG LEU 29 15.469 -5.246 2.371 928 1HD1 LEU 29 1HD1 LEU 29 16.087 -3.264 1.052 929 2HD1 LEU 29 2HD1 LEU 29 17.601 -4.050 0.601 930 3HD1 LEU 29 3HD1 LEU 29 17.291 -3.635 2.286 931 1HD2 LEU 29 1HD2 LEU 29 14.904 -4.967 -0.079 932 2HD2 LEU 29 2HD2 LEU 29 14.815 -6.606 0.565 933 3HD2 LEU 29 3HD2 LEU 29 16.201 -6.116 -0.409 934 H GLU 30 H GLU 30 18.533 -7.957 4.198 935 HA GLU 30 HA GLU 30 20.163 -9.757 2.723 936 1HB GLU 30 2HB GLU 30 20.214 -9.087 5.671 937 2HB GLU 30 1HB GLU 30 21.485 -9.924 4.792 938 1HG GLU 30 2HG GLU 30 20.566 -7.101 4.294 939 2HG GLU 30 1HG GLU 30 22.027 -7.578 5.158 940 H LYS 31 H LYS 31 17.667 -10.162 5.145 941 HA LYS 31 HA LYS 31 18.234 -12.967 5.511 942 1HB LYS 31 2HB LYS 31 16.028 -11.194 6.553 943 2HB LYS 31 1HB LYS 31 16.175 -12.903 6.943 944 1HG LYS 31 2HG LYS 31 18.329 -12.499 7.990 945 2HG LYS 31 1HG LYS 31 18.232 -10.790 7.560 946 1HD LYS 31 2HD LYS 31 17.596 -11.147 9.890 947 2HD LYS 31 1HD LYS 31 16.228 -10.555 8.944 948 1HE LYS 31 2HE LYS 31 15.370 -12.838 8.757 949 2HE LYS 31 1HE LYS 31 16.741 -13.432 9.693 950 1HZ LYS 31 1HZ LYS 31 14.348 -12.049 10.583 951 2HZ LYS 31 2HZ LYS 31 15.785 -11.577 11.339 952 3HZ LYS 31 3HZ LYS 31 15.300 -13.195 11.385 953 H TYR 32 H TYR 32 15.896 -11.005 3.747 954 HA TYR 32 HA TYR 32 14.841 -13.504 2.606 955 1HB TYR 32 2HB TYR 32 13.331 -10.921 3.018 956 2HB TYR 32 1HB TYR 32 12.681 -12.392 2.304 957 HD1 TYR 32 1HD TYR 32 14.444 -11.338 5.430 958 HD2 TYR 32 2HD TYR 32 11.401 -13.732 3.673 959 HE1 TYR 32 1HE TYR 32 13.776 -12.117 7.665 960 HE2 TYR 32 2HE TYR 32 10.720 -14.515 5.903 961 HH TYR 32 HH TYR 32 12.523 -14.353 8.538 962 H ASN 33 H ASN 33 15.481 -10.082 1.942 963 HA ASN 33 HA ASN 33 16.075 -8.993 0.033 964 1HB ASN 33 2HB ASN 33 17.773 -10.780 -0.177 965 2HB ASN 33 1HB ASN 33 16.610 -11.769 -1.053 966 1HD2 ASN 33 1HD2 ASN 33 16.905 -11.758 -3.147 967 2HD2 ASN 33 2HD2 ASN 33 17.508 -10.443 -4.091 968 H ILE 34 H ILE 34 13.379 -9.484 0.479 969 HA ILE 34 HA ILE 34 12.360 -9.298 -2.229 970 HB ILE 34 HB ILE 34 11.265 -11.354 -0.305 971 1HG1 ILE 34 2HG1 ILE 34 12.694 -11.676 -2.953 972 2HG1 ILE 34 1HG1 ILE 34 13.329 -12.109 -1.370 973 1HG2 ILE 34 1HG2 ILE 34 10.261 -11.497 -3.010 974 2HG2 ILE 34 2HG2 ILE 34 9.920 -9.927 -2.285 975 3HG2 ILE 34 3HG2 ILE 34 9.379 -11.402 -1.486 976 1HD1 ILE 34 1HD1 ILE 34 11.829 -13.904 -1.148 977 2HD1 ILE 34 2HD1 ILE 34 12.452 -13.994 -2.795 978 3HD1 ILE 34 3HD1 ILE 34 10.841 -13.344 -2.496 979 H GLU 35 H GLU 35 11.309 -7.438 -2.145 980 HA GLU 35 HA GLU 35 10.527 -5.939 -0.049 981 1HB GLU 35 2HB GLU 35 8.878 -4.849 -1.516 982 2HB GLU 35 1HB GLU 35 10.416 -5.117 -2.323 983 1HG GLU 35 2HG GLU 35 8.020 -6.907 -2.631 984 2HG GLU 35 1HG GLU 35 8.400 -5.569 -3.712 985 H LYS 36 H LYS 36 8.558 -8.515 -1.497 986 HA LYS 36 HA LYS 36 6.206 -8.068 -0.054 987 1HB LYS 36 2HB LYS 36 6.350 -9.604 -1.964 988 2HB LYS 36 1HB LYS 36 7.346 -10.698 -1.013 989 1HG LYS 36 2HG LYS 36 5.392 -10.830 0.605 990 2HG LYS 36 1HG LYS 36 4.440 -10.039 -0.654 991 1HD LYS 36 2HD LYS 36 4.133 -12.414 -0.839 992 2HD LYS 36 1HD LYS 36 5.098 -11.864 -2.211 993 1HE LYS 36 2HE LYS 36 7.132 -12.610 -1.097 994 2HE LYS 36 1HE LYS 36 6.191 -13.118 0.305 995 1HZ LYS 36 1HZ LYS 36 6.834 -14.897 -1.353 996 2HZ LYS 36 2HZ LYS 36 5.691 -14.216 -2.397 997 3HZ LYS 36 3HZ LYS 36 5.204 -14.843 -0.904 998 H ASP 37 H ASP 37 8.803 -10.401 0.655 999 HA ASP 37 HA ASP 37 7.796 -11.243 3.131 1000 1HB ASP 37 2HB ASP 37 10.655 -11.222 2.148 1001 2HB ASP 37 1HB ASP 37 10.061 -12.136 3.531 1002 H ILE 38 H ILE 38 10.063 -8.653 2.321 1003 HA ILE 38 HA ILE 38 11.073 -7.950 4.757 1004 HB ILE 38 HB ILE 38 10.106 -6.081 2.586 1005 1HG1 ILE 38 2HG1 ILE 38 12.859 -7.199 3.156 1006 2HG1 ILE 38 1HG1 ILE 38 11.787 -7.752 1.878 1007 1HG2 ILE 38 1HG2 ILE 38 10.441 -4.962 4.791 1008 2HG2 ILE 38 2HG2 ILE 38 11.511 -4.385 3.515 1009 3HG2 ILE 38 3HG2 ILE 38 12.122 -5.490 4.742 1010 1HD1 ILE 38 1HD1 ILE 38 12.860 -6.301 0.584 1011 2HD1 ILE 38 2HD1 ILE 38 13.564 -5.460 1.964 1012 3HD1 ILE 38 3HD1 ILE 38 11.936 -5.054 1.419 1013 H ALA 39 H ALA 39 8.028 -6.698 3.400 1014 HA ALA 39 HA ALA 39 7.274 -5.247 5.691 1015 1HB ALA 39 1HB ALA 39 5.567 -6.331 3.458 1016 2HB ALA 39 2HB ALA 39 6.356 -4.757 3.503 1017 3HB ALA 39 3HB ALA 39 5.059 -5.126 4.640 1018 H ALA 40 H ALA 40 6.922 -8.608 4.863 1019 HA ALA 40 HA ALA 40 4.758 -9.208 6.582 1020 1HB ALA 40 1HB ALA 40 6.173 -11.553 6.394 1021 2HB ALA 40 2HB ALA 40 6.644 -10.687 4.932 1022 3HB ALA 40 3HB ALA 40 4.940 -10.993 5.265 1023 H HIS 41 H HIS 41 8.195 -10.070 7.024 1024 HA HIS 41 HA HIS 41 7.871 -10.822 9.714 1025 1HB HIS 41 2HB HIS 41 10.048 -11.435 9.612 1026 2HB HIS 41 1HB HIS 41 9.824 -11.172 7.888 1027 HD1 HIS 41 1HD HIS 41 11.101 -9.321 10.938 1028 HD2 HIS 41 2HD HIS 41 11.523 -9.334 6.806 1029 HE1 HIS 41 1HE HIS 41 12.955 -7.698 10.452 1030 HE2 HIS 41 2HE HIS 41 13.318 -7.873 7.970 1031 H ILE 42 H ILE 42 9.110 -7.804 8.282 1032 HA ILE 42 HA ILE 42 9.809 -6.539 10.676 1033 HB ILE 42 HB ILE 42 8.826 -5.246 8.129 1034 1HG1 ILE 42 2HG1 ILE 42 11.633 -5.853 9.059 1035 2HG1 ILE 42 1HG1 ILE 42 10.765 -6.739 7.813 1036 1HG2 ILE 42 1HG2 ILE 42 9.411 -4.103 10.644 1037 2HG2 ILE 42 2HG2 ILE 42 9.075 -3.278 9.123 1038 3HG2 ILE 42 3HG2 ILE 42 10.735 -3.683 9.558 1039 1HD1 ILE 42 1HD1 ILE 42 12.085 -5.303 6.598 1040 2HD1 ILE 42 2HD1 ILE 42 11.876 -3.976 7.741 1041 3HD1 ILE 42 3HD1 ILE 42 10.553 -4.436 6.669 1042 H LYS 43 H LYS 43 6.740 -6.430 8.874 1043 HA LYS 43 HA LYS 43 5.415 -4.596 10.504 1044 1HB LYS 43 2HB LYS 43 4.561 -5.330 8.322 1045 2HB LYS 43 1HB LYS 43 4.244 -6.925 8.983 1046 1HG LYS 43 2HG LYS 43 2.629 -5.932 10.551 1047 2HG LYS 43 1HG LYS 43 2.926 -4.352 9.828 1048 1HD LYS 43 2HD LYS 43 1.002 -5.056 8.744 1049 2HD LYS 43 1HD LYS 43 2.271 -5.516 7.609 1050 1HE LYS 43 2HE LYS 43 0.975 -7.352 9.621 1051 2HE LYS 43 1HE LYS 43 0.582 -7.282 7.905 1052 1HZ LYS 43 1HZ LYS 43 2.989 -8.333 9.217 1053 2HZ LYS 43 2HZ LYS 43 3.108 -7.736 7.639 1054 3HZ LYS 43 3HZ LYS 43 2.055 -9.013 7.983 1055 H LYS 44 H LYS 44 5.423 -8.155 10.685 1056 HA LYS 44 HA LYS 44 3.737 -8.389 12.902 1057 1HB LYS 44 2HB LYS 44 5.995 -10.194 12.021 1058 2HB LYS 44 1HB LYS 44 4.774 -10.628 13.208 1059 1HG LYS 44 2HG LYS 44 3.037 -10.455 11.533 1060 2HG LYS 44 1HG LYS 44 4.219 -9.929 10.333 1061 1HD LYS 44 2HD LYS 44 5.385 -12.070 10.541 1062 2HD LYS 44 1HD LYS 44 4.209 -12.596 11.747 1063 1HE LYS 44 2HE LYS 44 3.589 -11.877 8.884 1064 2HE LYS 44 1HE LYS 44 3.725 -13.514 9.523 1065 1HZ LYS 44 1HZ LYS 44 1.476 -11.871 9.485 1066 2HZ LYS 44 2HZ LYS 44 1.914 -12.065 11.108 1067 3HZ LYS 44 3HZ LYS 44 1.618 -13.422 10.144 1068 H GLU 45 H GLU 45 7.277 -8.127 12.768 1069 HA GLU 45 HA GLU 45 7.823 -8.506 15.464 1070 1HB GLU 45 2HB GLU 45 9.549 -8.373 13.711 1071 2HB GLU 45 1HB GLU 45 9.246 -6.649 13.549 1072 1HG GLU 45 2HG GLU 45 9.958 -6.315 15.869 1073 2HG GLU 45 1HG GLU 45 10.288 -8.041 16.005 1074 H PHE 46 H PHE 46 7.142 -5.452 13.761 1075 HA PHE 46 HA PHE 46 7.340 -3.805 16.030 1076 1HB PHE 46 2HB PHE 46 6.073 -3.489 13.338 1077 2HB PHE 46 1HB PHE 46 5.817 -2.271 14.581 1078 HD1 PHE 46 1HD PHE 46 8.122 -1.605 15.822 1079 HD2 PHE 46 2HD PHE 46 7.756 -3.057 11.839 1080 HE1 PHE 46 1HE PHE 46 10.260 -0.538 15.243 1081 HE2 PHE 46 2HE PHE 46 9.897 -1.995 11.252 1082 HZ PHE 46 HZ PHE 46 11.156 -0.730 12.956 1083 H ASP 47 H ASP 47 4.516 -5.336 14.517 1084 HA ASP 47 HA ASP 47 2.563 -4.228 16.175 1085 1HB ASP 47 2HB ASP 47 2.604 -6.951 14.858 1086 2HB ASP 47 1HB ASP 47 1.178 -6.196 15.562 1087 H LYS 48 H LYS 48 4.691 -6.968 16.655 1088 HA LYS 48 HA LYS 48 3.396 -7.897 19.033 1089 1HB LYS 48 2HB LYS 48 5.030 -9.088 17.304 1090 2HB LYS 48 1HB LYS 48 6.242 -8.553 18.459 1091 1HG LYS 48 2HG LYS 48 3.891 -10.349 18.995 1092 2HG LYS 48 1HG LYS 48 5.599 -10.791 18.991 1093 1HD LYS 48 2HD LYS 48 5.994 -9.365 20.921 1094 2HD LYS 48 1HD LYS 48 4.307 -8.847 20.898 1095 1HE LYS 48 2HE LYS 48 4.670 -10.555 22.591 1096 2HE LYS 48 1HE LYS 48 3.585 -11.127 21.325 1097 1HZ LYS 48 1HZ LYS 48 4.937 -12.825 20.973 1098 2HZ LYS 48 2HZ LYS 48 5.960 -12.293 22.209 1099 3HZ LYS 48 3HZ LYS 48 6.221 -11.782 20.619 1100 H LYS 49 H LYS 49 6.229 -5.907 18.339 1101 HA LYS 49 HA LYS 49 6.925 -5.644 21.119 1102 1HB LYS 49 2HB LYS 49 8.013 -4.230 18.692 1103 2HB LYS 49 1HB LYS 49 8.701 -4.151 20.308 1104 1HG LYS 49 2HG LYS 49 9.080 -6.591 20.220 1105 2HG LYS 49 1HG LYS 49 8.479 -6.591 18.561 1106 1HD LYS 49 2HD LYS 49 10.272 -5.092 17.890 1107 2HD LYS 49 1HD LYS 49 10.854 -5.017 19.554 1108 1HE LYS 49 2HE LYS 49 11.322 -7.412 19.502 1109 2HE LYS 49 1HE LYS 49 10.724 -7.499 17.845 1110 1HZ LYS 49 1HZ LYS 49 12.510 -5.749 17.373 1111 2HZ LYS 49 2HZ LYS 49 13.013 -7.346 17.609 1112 3HZ LYS 49 3HZ LYS 49 13.184 -6.215 18.853 1113 H TYR 50 H TYR 50 6.079 -3.234 18.652 1114 HA TYR 50 HA TYR 50 5.519 -1.282 20.699 1115 1HB TYR 50 2HB TYR 50 5.373 -1.134 17.689 1116 2HB TYR 50 1HB TYR 50 5.047 0.225 18.761 1117 HD1 TYR 50 1HD TYR 50 7.709 -2.382 18.390 1118 HD2 TYR 50 2HD TYR 50 6.778 1.725 18.979 1119 HE1 TYR 50 1HE TYR 50 10.102 -1.864 18.454 1120 HE2 TYR 50 2HE TYR 50 9.179 2.261 19.038 1121 HH TYR 50 HH TYR 50 11.598 -0.157 19.266 1122 H ASN 51 H ASN 51 3.680 -3.513 18.835 1123 HA ASN 51 HA ASN 51 1.475 -4.124 19.259 1124 1HB ASN 51 2HB ASN 51 1.004 -1.326 20.314 1125 2HB ASN 51 1HB ASN 51 -0.113 -2.682 20.384 1126 1HD2 ASN 51 1HD2 ASN 51 1.947 -0.925 22.170 1127 2HD2 ASN 51 2HD2 ASN 51 2.378 -2.087 23.372 1128 HA PRO 52 HA PRO 52 0.169 -2.950 15.252 1129 1HB PRO 52 2HB PRO 52 -2.602 -3.356 16.272 1130 2HB PRO 52 1HB PRO 52 -1.813 -4.058 14.857 1131 1HG PRO 52 2HG PRO 52 -2.193 -5.508 17.055 1132 2HG PRO 52 1HG PRO 52 -0.704 -5.666 16.105 1133 1HD PRO 52 2HD PRO 52 -1.157 -4.266 18.702 1134 2HD PRO 52 1HD PRO 52 0.257 -5.179 18.142 1135 H THR 53 H THR 53 -1.734 0.073 14.897 1136 HA THR 53 HA THR 53 -0.984 -2.577 13.862 1137 HB THR 53 HB THR 53 -3.393 -2.111 13.744 1138 HG1 THR 53 1HG THR 53 -2.215 -1.983 11.171 1139 1HG2 THR 53 1HG2 THR 53 -3.368 -0.211 11.601 1140 2HG2 THR 53 2HG2 THR 53 -2.633 0.476 13.049 1141 3HG2 THR 53 3HG2 THR 53 -4.268 -0.185 13.118 1142 H TRP 54 H TRP 54 0.778 -2.566 12.645 1143 HA TRP 54 HA TRP 54 1.673 -0.057 11.466 1144 1HB TRP 54 2HB TRP 54 3.067 -2.716 11.737 1145 2HB TRP 54 1HB TRP 54 3.792 -1.256 11.067 1146 HD1 TRP 54 HD TRP 54 1.917 -2.090 14.363 1147 HE1 TRP 54 1HE TRP 54 3.196 -0.988 16.293 1148 HE3 TRP 54 3HE TRP 54 5.661 0.117 11.675 1149 HZ2 TRP 54 2HZ TRP 54 5.508 0.614 16.636 1150 HZ3 TRP 54 3HZ TRP 54 7.369 1.416 12.881 1151 HH2 TRP 54 HH TRP 54 7.292 1.662 15.309 1152 H HIS 55 H HIS 55 1.544 0.433 9.426 1153 HA HIS 55 HA HIS 55 0.684 -1.616 7.510 1154 1HB HIS 55 2HB HIS 55 0.733 1.373 7.091 1155 2HB HIS 55 1HB HIS 55 -0.172 0.168 6.178 1156 HD1 HIS 55 1HD HIS 55 -1.743 -1.305 8.152 1157 HD2 HIS 55 2HD HIS 55 -1.011 2.749 8.613 1158 HE1 HIS 55 1HE HIS 55 -3.577 -0.472 9.645 1159 HE2 HIS 55 2HE HIS 55 -3.174 2.013 9.834 1160 H CYS 56 H CYS 56 1.962 -2.133 5.742 1161 HA CYS 56 HA CYS 56 4.379 -0.523 5.339 1162 1HB CYS 56 2HB CYS 56 4.986 -2.377 6.844 1163 2HB CYS 56 1HB CYS 56 4.420 -3.528 5.637 1164 HG CYS 56 HG CYS 56 6.851 -3.452 5.093 1165 H ILE 57 H ILE 57 5.333 -0.638 3.334 1166 HA ILE 57 HA ILE 57 4.149 -2.259 1.233 1167 HB ILE 57 HB ILE 57 4.128 0.763 1.093 1168 1HG1 ILE 57 2HG1 ILE 57 1.851 -1.229 1.134 1169 2HG1 ILE 57 1HG1 ILE 57 2.291 -0.140 2.445 1170 1HG2 ILE 57 1HG2 ILE 57 3.267 -1.260 -0.968 1171 2HG2 ILE 57 2HG2 ILE 57 4.727 -0.279 -1.041 1172 3HG2 ILE 57 3HG2 ILE 57 3.142 0.491 -1.113 1173 1HD1 ILE 57 1HD1 ILE 57 1.903 1.723 0.693 1174 2HD1 ILE 57 2HD1 ILE 57 0.517 0.943 1.457 1175 3HD1 ILE 57 3HD1 ILE 57 1.005 0.478 -0.174 1176 H VAL 58 H VAL 58 5.583 -2.584 -0.492 1177 HA VAL 58 HA VAL 58 7.979 -0.975 -0.678 1178 HB VAL 58 HB VAL 58 8.210 -3.911 -0.011 1179 1HG1 VAL 58 1HG1 VAL 58 10.626 -3.502 0.009 1180 2HG1 VAL 58 2HG1 VAL 58 10.346 -1.837 -0.500 1181 3HG1 VAL 58 3HG1 VAL 58 9.927 -3.168 -1.576 1182 1HG2 VAL 58 1HG2 VAL 58 9.384 -3.064 2.030 1183 2HG2 VAL 58 2HG2 VAL 58 7.653 -2.727 1.983 1184 3HG2 VAL 58 3HG2 VAL 58 8.810 -1.449 1.615 1185 H GLY 59 H GLY 59 8.700 -0.875 -2.715 1186 1HA GLY 59 2HA GLY 59 8.783 -2.935 -4.580 1187 2HA GLY 59 1HA GLY 59 7.239 -2.126 -4.804 1188 H ARG 60 H ARG 60 7.595 -1.200 -6.753 1189 HA ARG 60 HA ARG 60 9.236 1.172 -6.804 1190 1HB ARG 60 2HB ARG 60 10.037 -1.286 -8.306 1191 2HB ARG 60 1HB ARG 60 10.316 0.286 -9.041 1192 1HG ARG 60 2HG ARG 60 11.376 -0.611 -6.368 1193 2HG ARG 60 1HG ARG 60 12.288 -0.538 -7.875 1194 1HD ARG 60 2HD ARG 60 11.788 1.903 -7.977 1195 2HD ARG 60 1HD ARG 60 11.064 1.772 -6.375 1196 HE ARG 60 HE ARG 60 13.655 0.719 -6.273 1197 1HH1 ARG 60 1HH1 ARG 60 12.051 3.786 -6.710 1198 2HH1 ARG 60 2HH1 ARG 60 13.355 4.705 -6.036 1199 1HH2 ARG 60 1HH2 ARG 60 15.373 1.927 -5.387 1200 2HH2 ARG 60 2HH2 ARG 60 15.240 3.651 -5.286 1201 H ASN 61 H ASN 61 6.454 0.686 -7.099 1202 HA ASN 61 HA ASN 61 5.667 2.374 -9.055 1203 1HB ASN 61 2HB ASN 61 6.657 0.857 -10.737 1204 2HB ASN 61 1HB ASN 61 5.613 -0.441 -10.177 1205 1HD2 ASN 61 1HD2 ASN 61 4.037 2.562 -10.092 1206 2HD2 ASN 61 2HD2 ASN 61 3.176 2.416 -11.577 1207 H PHE 62 H PHE 62 4.264 2.646 -7.208 1208 HA PHE 62 HA PHE 62 1.781 1.248 -7.519 1209 1HB PHE 62 2HB PHE 62 1.705 0.258 -5.282 1210 2HB PHE 62 1HB PHE 62 3.025 -0.403 -6.237 1211 HD1 PHE 62 1HD PHE 62 2.342 2.259 -3.721 1212 HD2 PHE 62 2HD PHE 62 5.131 -0.531 -5.315 1213 HE1 PHE 62 1HE PHE 62 3.936 2.839 -1.939 1214 HE2 PHE 62 2HE PHE 62 6.726 0.041 -3.534 1215 HZ PHE 62 HZ PHE 62 6.130 1.727 -1.841 1216 H GLY 63 H GLY 63 0.069 2.275 -6.659 1217 1HA GLY 63 2HA GLY 63 0.556 4.928 -5.529 1218 2HA GLY 63 1HA GLY 63 -0.987 4.310 -6.113 1219 H SER 64 H SER 64 -0.091 5.570 -3.463 1220 HA SER 64 HA SER 64 -1.455 3.584 -1.811 1221 1HB SER 64 2HB SER 64 1.220 4.783 -1.075 1222 2HB SER 64 1HB SER 64 0.221 3.797 -0.007 1223 HG SER 64 HG SER 64 2.011 2.813 -1.414 1224 H TYR 65 H TYR 65 -2.553 4.348 -0.076 1225 HA TYR 65 HA TYR 65 -2.406 7.131 0.713 1226 1HB TYR 65 2HB TYR 65 -3.963 7.117 -1.245 1227 2HB TYR 65 1HB TYR 65 -4.993 5.989 -0.372 1228 HD1 TYR 65 1HD TYR 65 -5.604 6.868 2.115 1229 HD2 TYR 65 2HD TYR 65 -4.582 9.326 -1.205 1230 HE1 TYR 65 1HE TYR 65 -6.769 8.760 3.163 1231 HE2 TYR 65 2HE TYR 65 -5.748 11.223 -0.165 1232 HH TYR 65 HH TYR 65 -6.477 11.970 2.010 1233 H VAL 66 H VAL 66 -2.759 7.260 2.859 1234 HA VAL 66 HA VAL 66 -4.529 5.425 4.244 1235 HB VAL 66 HB VAL 66 -1.577 5.449 4.899 1236 1HG1 VAL 66 1HG1 VAL 66 -2.703 5.061 6.908 1237 2HG1 VAL 66 2HG1 VAL 66 -2.280 3.452 6.327 1238 3HG1 VAL 66 3HG1 VAL 66 -3.923 4.054 6.136 1239 1HG2 VAL 66 1HG2 VAL 66 -3.247 3.372 3.498 1240 2HG2 VAL 66 2HG2 VAL 66 -1.657 3.046 4.186 1241 3HG2 VAL 66 3HG2 VAL 66 -1.828 4.215 2.879 1242 H THR 67 H THR 67 -4.486 5.886 6.661 1243 HA THR 67 HA THR 67 -3.761 8.691 7.213 1244 HB THR 67 HB THR 67 -6.251 7.201 8.098 1245 HG1 THR 67 1HG THR 67 -7.069 8.063 6.392 1246 1HG2 THR 67 1HG2 THR 67 -6.942 9.012 9.345 1247 2HG2 THR 67 2HG2 THR 67 -5.777 10.106 8.597 1248 3HG2 THR 67 3HG2 THR 67 -5.229 8.889 9.751 1249 H HIS 68 H HIS 68 -2.863 9.100 9.234 1250 HA HIS 68 HA HIS 68 -2.777 7.039 11.256 1251 1HB HIS 68 2HB HIS 68 -0.295 6.829 11.162 1252 2HB HIS 68 1HB HIS 68 -1.105 6.183 9.734 1253 HD1 HIS 68 1HD HIS 68 0.876 9.193 10.857 1254 HD2 HIS 68 2HD HIS 68 -0.450 7.398 7.354 1255 HE1 HIS 68 1HE HIS 68 1.974 10.467 8.994 1256 HE2 HIS 68 2HE HIS 68 1.083 9.428 6.883 1257 H GLU 69 H GLU 69 -1.994 7.741 13.233 1258 HA GLU 69 HA GLU 69 -2.227 10.490 13.808 1259 1HB GLU 69 2HB GLU 69 -1.500 9.886 16.064 1260 2HB GLU 69 1HB GLU 69 -2.692 8.742 15.460 1261 1HG GLU 69 2HG GLU 69 -0.951 7.145 14.953 1262 2HG GLU 69 1HG GLU 69 0.282 8.301 15.453 1263 H THR 70 H THR 70 -0.638 11.946 14.637 1264 HA THR 70 HA THR 70 1.699 12.104 13.086 1265 HB THR 70 HB THR 70 2.309 13.995 14.576 1266 HG1 THR 70 1HG THR 70 -0.054 13.304 15.979 1267 1HG2 THR 70 1HG2 THR 70 0.357 14.012 12.764 1268 2HG2 THR 70 2HG2 THR 70 0.791 15.422 13.728 1269 3HG2 THR 70 3HG2 THR 70 -0.584 14.421 14.200 1270 H LYS 71 H LYS 71 3.904 12.084 13.734 1271 HA LYS 71 HA LYS 71 5.757 11.179 14.679 1272 1HB LYS 71 2HB LYS 71 3.999 10.978 17.131 1273 2HB LYS 71 1HB LYS 71 5.736 10.722 17.118 1274 1HG LYS 71 2HG LYS 71 4.605 13.300 16.134 1275 2HG LYS 71 1HG LYS 71 4.760 13.004 17.863 1276 1HD LYS 71 2HD LYS 71 6.707 14.189 17.053 1277 2HD LYS 71 1HD LYS 71 7.162 12.561 17.549 1278 1HE LYS 71 2HE LYS 71 7.269 11.827 15.279 1279 2HE LYS 71 1HE LYS 71 6.577 13.343 14.700 1280 1HZ LYS 71 1HZ LYS 71 8.554 14.492 15.465 1281 2HZ LYS 71 2HZ LYS 71 8.976 13.261 14.385 1282 3HZ LYS 71 3HZ LYS 71 9.209 13.044 16.046 1283 H HIS 72 H HIS 72 4.070 9.528 13.188 1284 HA HIS 72 HA HIS 72 5.053 6.970 13.989 1285 1HB HIS 72 2HB HIS 72 2.085 7.514 14.142 1286 2HB HIS 72 1HB HIS 72 2.756 5.892 14.004 1287 HD1 HIS 72 1HD HIS 72 4.720 5.488 16.010 1288 HD2 HIS 72 2HD HIS 72 1.629 8.170 16.723 1289 HE1 HIS 72 1HE HIS 72 4.620 5.753 18.508 1290 HE2 HIS 72 2HE HIS 72 2.690 7.318 18.919 1291 H PHE 73 H PHE 73 5.950 7.760 11.888 1292 HA PHE 73 HA PHE 73 4.950 6.241 9.774 1293 1HB PHE 73 2HB PHE 73 3.189 7.873 9.563 1294 2HB PHE 73 1HB PHE 73 4.349 9.197 9.612 1295 HD1 PHE 73 1HD PHE 73 6.105 9.246 7.696 1296 HD2 PHE 73 2HD PHE 73 2.451 7.071 7.529 1297 HE1 PHE 73 1HE PHE 73 6.243 9.215 5.238 1298 HE2 PHE 73 2HE PHE 73 2.583 7.032 5.073 1299 HZ PHE 73 HZ PHE 73 4.479 8.105 3.925 1300 H ILE 74 H ILE 74 6.398 6.098 8.065 1301 HA ILE 74 HA ILE 74 8.514 8.005 7.747 1302 HB ILE 74 HB ILE 74 9.333 6.808 9.735 1303 1HG1 ILE 74 2HG1 ILE 74 10.893 6.201 7.212 1304 2HG1 ILE 74 1HG1 ILE 74 10.941 7.712 8.114 1305 1HG2 ILE 74 1HG2 ILE 74 9.818 4.493 9.746 1306 2HG2 ILE 74 2HG2 ILE 74 9.512 4.346 8.016 1307 3HG2 ILE 74 3HG2 ILE 74 8.174 4.648 9.124 1308 1HD1 ILE 74 1HD1 ILE 74 11.657 6.139 10.085 1309 2HD1 ILE 74 2HD1 ILE 74 12.828 6.689 8.884 1310 3HD1 ILE 74 3HD1 ILE 74 12.134 5.072 8.765 1311 H TYR 75 H TYR 75 9.059 8.022 5.697 1312 HA TYR 75 HA TYR 75 8.740 5.565 4.100 1313 1HB TYR 75 2HB TYR 75 7.104 7.297 3.462 1314 2HB TYR 75 1HB TYR 75 8.419 8.438 3.197 1315 HD1 TYR 75 1HD TYR 75 7.634 4.933 2.139 1316 HD2 TYR 75 2HD TYR 75 8.890 8.828 0.983 1317 HE1 TYR 75 1HE TYR 75 7.813 4.175 -0.192 1318 HE2 TYR 75 2HE TYR 75 9.073 8.083 -1.353 1319 HH TYR 75 HH TYR 75 7.947 6.166 -2.768 1320 H PHE 76 H PHE 76 10.488 4.933 2.886 1321 HA PHE 76 HA PHE 76 12.596 6.698 2.177 1322 1HB PHE 76 2HB PHE 76 14.342 5.766 3.653 1323 2HB PHE 76 1HB PHE 76 13.080 6.596 4.558 1324 HD1 PHE 76 1HD PHE 76 11.064 4.918 5.244 1325 HD2 PHE 76 2HD PHE 76 15.110 3.814 4.532 1326 HE1 PHE 76 1HE PHE 76 10.753 2.904 6.618 1327 HE2 PHE 76 2HE PHE 76 14.806 1.798 5.904 1328 HZ PHE 76 HZ PHE 76 12.625 1.339 6.951 1329 H TYR 77 H TYR 77 13.873 5.845 0.638 1330 HA TYR 77 HA TYR 77 13.139 3.279 -0.428 1331 1HB TYR 77 2HB TYR 77 15.170 5.328 -1.333 1332 2HB TYR 77 1HB TYR 77 14.799 3.848 -2.212 1333 HD1 TYR 77 1HD TYR 77 12.898 6.685 -0.661 1334 HD2 TYR 77 2HD TYR 77 13.367 4.087 -3.998 1335 HE1 TYR 77 1HE TYR 77 11.045 7.823 -1.800 1336 HE2 TYR 77 2HE TYR 77 11.514 5.226 -5.148 1337 HH TYR 77 HH TYR 77 9.404 7.359 -3.566 1338 H LEU 78 H LEU 78 14.471 1.485 -0.691 1339 HA LEU 78 HA LEU 78 17.135 1.405 0.361 1340 1HB LEU 78 2HB LEU 78 15.828 1.335 2.439 1341 2HB LEU 78 1HB LEU 78 14.949 -0.055 1.841 1342 HG LEU 78 HG LEU 78 16.991 -1.391 1.861 1343 1HD1 LEU 78 1HD1 LEU 78 18.219 1.221 2.204 1344 2HD1 LEU 78 2HD1 LEU 78 18.915 -0.291 1.633 1345 3HD1 LEU 78 3HD1 LEU 78 18.808 0.032 3.364 1346 1HD2 LEU 78 1HD2 LEU 78 15.515 -1.132 3.892 1347 2HD2 LEU 78 2HD2 LEU 78 16.712 0.006 4.510 1348 3HD2 LEU 78 3HD2 LEU 78 17.166 -1.671 4.204 1349 H GLY 79 H GLY 79 18.253 -0.430 -0.257 1350 1HA GLY 79 2HA GLY 79 18.737 -2.224 -1.608 1351 2HA GLY 79 1HA GLY 79 17.196 -2.869 -1.062 1352 H GLN 80 H GLN 80 17.759 0.047 -2.957 1353 HA GLN 80 HA GLN 80 17.028 0.702 -5.000 1354 1HB GLN 80 2HB GLN 80 17.218 -2.249 -5.627 1355 2HB GLN 80 1HB GLN 80 17.076 -0.961 -6.815 1356 1HG GLN 80 2HG GLN 80 19.368 -1.355 -4.903 1357 2HG GLN 80 1HG GLN 80 19.367 -1.753 -6.620 1358 1HE2 GLN 80 1HE2 GLN 80 20.361 -0.322 -7.827 1359 2HE2 GLN 80 2HE2 GLN 80 20.464 1.376 -7.531 1360 H VAL 81 H VAL 81 15.068 0.195 -3.001 1361 HA VAL 81 HA VAL 81 12.731 0.069 -4.675 1362 HB VAL 81 HB VAL 81 11.592 -1.719 -3.413 1363 1HG1 VAL 81 1HG1 VAL 81 12.841 -2.128 -5.567 1364 2HG1 VAL 81 2HG1 VAL 81 12.559 -3.549 -4.561 1365 3HG1 VAL 81 3HG1 VAL 81 14.149 -2.787 -4.583 1366 1HG2 VAL 81 1HG2 VAL 81 13.047 -1.511 -1.380 1367 2HG2 VAL 81 2HG2 VAL 81 14.291 -2.399 -2.262 1368 3HG2 VAL 81 3HG2 VAL 81 12.741 -3.164 -1.911 1369 H ALA 82 H ALA 82 11.082 1.233 -3.834 1370 HA ALA 82 HA ALA 82 11.585 2.859 -1.554 1371 1HB ALA 82 1HB ALA 82 10.249 4.031 -2.947 1372 2HB ALA 82 2HB ALA 82 8.966 3.272 -2.006 1373 3HB ALA 82 3HB ALA 82 9.439 2.590 -3.562 1374 H ILE 83 H ILE 83 10.881 2.707 0.507 1375 HA ILE 83 HA ILE 83 9.124 0.445 1.191 1376 HB ILE 83 HB ILE 83 11.546 1.351 2.755 1377 1HG1 ILE 83 2HG1 ILE 83 11.010 -1.205 1.228 1378 2HG1 ILE 83 1HG1 ILE 83 12.129 0.066 0.749 1379 1HG2 ILE 83 1HG2 ILE 83 10.788 -1.020 3.840 1380 2HG2 ILE 83 2HG2 ILE 83 9.225 -0.307 3.446 1381 3HG2 ILE 83 3HG2 ILE 83 10.352 0.561 4.488 1382 1HD1 ILE 83 1HD1 ILE 83 13.495 -1.550 1.684 1383 2HD1 ILE 83 2HD1 ILE 83 12.357 -1.902 2.985 1384 3HD1 ILE 83 3HD1 ILE 83 13.277 -0.397 3.001 1385 H LEU 84 H LEU 84 7.653 0.772 2.828 1386 HA LEU 84 HA LEU 84 7.606 3.390 4.140 1387 1HB LEU 84 2HB LEU 84 6.182 3.593 2.162 1388 2HB LEU 84 1HB LEU 84 5.283 2.168 2.646 1389 HG LEU 84 HG LEU 84 4.493 3.368 4.657 1390 1HD1 LEU 84 1HD1 LEU 84 5.185 6.021 3.689 1391 2HD1 LEU 84 2HD1 LEU 84 6.596 5.077 4.165 1392 3HD1 LEU 84 3HD1 LEU 84 5.286 5.343 5.314 1393 1HD2 LEU 84 1HD2 LEU 84 3.919 4.958 2.167 1394 2HD2 LEU 84 2HD2 LEU 84 2.858 4.679 3.548 1395 3HD2 LEU 84 3HD2 LEU 84 3.260 3.349 2.462 1396 H LEU 85 H LEU 85 6.768 3.382 6.184 1397 HA LEU 85 HA LEU 85 5.314 1.085 7.178 1398 1HB LEU 85 2HB LEU 85 7.657 0.376 7.384 1399 2HB LEU 85 1HB LEU 85 8.012 1.819 8.315 1400 HG LEU 85 HG LEU 85 6.470 1.043 10.081 1401 1HD1 LEU 85 1HD1 LEU 85 5.607 -1.222 10.037 1402 2HD1 LEU 85 2HD1 LEU 85 6.299 -1.477 8.435 1403 3HD1 LEU 85 3HD1 LEU 85 4.997 -0.307 8.658 1404 1HD2 LEU 85 1HD2 LEU 85 8.906 -0.392 9.246 1405 2HD2 LEU 85 2HD2 LEU 85 7.918 -1.190 10.468 1406 3HD2 LEU 85 3HD2 LEU 85 8.536 0.436 10.758 1407 H PHE 86 H PHE 86 4.024 1.584 8.899 1408 HA PHE 86 HA PHE 86 4.467 3.664 10.731 1409 1HB PHE 86 2HB PHE 86 2.870 5.346 9.965 1410 2HB PHE 86 1HB PHE 86 4.145 5.114 8.776 1411 HD1 PHE 86 1HD PHE 86 3.521 3.184 6.987 1412 HD2 PHE 86 2HD PHE 86 0.765 5.598 9.148 1413 HE1 PHE 86 1HE PHE 86 1.833 2.810 5.240 1414 HE2 PHE 86 2HE PHE 86 -0.928 5.228 7.407 1415 HZ PHE 86 HZ PHE 86 -0.396 3.832 5.449 1416 H LYS 87 H LYS 87 3.192 3.332 12.457 1417 HA LYS 87 HA LYS 87 1.042 1.399 12.178 1418 1HB LYS 87 2HB LYS 87 1.069 1.238 14.601 1419 2HB LYS 87 1HB LYS 87 2.685 1.035 13.948 1420 1HG LYS 87 2HG LYS 87 3.293 3.260 14.599 1421 2HG LYS 87 1HG LYS 87 1.637 3.605 15.102 1422 1HD LYS 87 2HD LYS 87 1.795 1.905 16.839 1423 2HD LYS 87 1HD LYS 87 3.432 1.508 16.320 1424 1HE LYS 87 2HE LYS 87 4.163 3.764 16.890 1425 2HE LYS 87 1HE LYS 87 2.524 4.175 17.389 1426 1HZ LYS 87 1HZ LYS 87 2.956 2.024 18.879 1427 2HZ LYS 87 2HZ LYS 87 3.323 3.592 19.395 1428 3HZ LYS 87 3HZ LYS 87 4.541 2.603 18.765 1429 H SER 88 H SER 88 -1.048 1.685 12.928 1430 HA SER 88 HA SER 88 -1.875 4.483 13.275 1431 1HB SER 88 2HB SER 88 -2.605 3.602 11.104 1432 2HB SER 88 1HB SER 88 -3.387 2.242 11.912 1433 HG SER 88 HG SER 88 -4.731 3.795 12.976 1434 H GLY 89 H GLY 89 -2.985 4.946 15.072 1435 1HA GLY 89 2HA GLY 89 -3.268 3.105 17.164 1436 2HA GLY 89 1HA GLY 89 -4.047 4.678 17.088 1437 1H MET 1 1HT MET 1 -9.997 -9.951 12.538 1438 2H MET 1 2HT MET 1 -10.253 -8.587 13.549 1439 3H MET 1 3HT MET 1 -9.421 -9.963 14.152 1440 HA MET 1 HA MET 1 -8.535 -7.957 12.214 1441 1HB MET 1 2HB MET 1 -7.367 -9.146 14.740 1442 2HB MET 1 1HB MET 1 -6.605 -7.900 13.761 1443 1HG MET 1 2HG MET 1 -9.230 -7.634 15.211 1444 2HG MET 1 1HG MET 1 -7.683 -6.976 15.744 1445 1HE MET 1 1HE MET 1 -6.734 -4.249 13.858 1446 2HE MET 1 2HE MET 1 -6.777 -5.296 12.438 1447 3HE MET 1 3HE MET 1 -6.214 -5.929 13.985 1448 H LYS 2 H LYS 2 -7.104 -8.482 10.664 1449 HA LYS 2 HA LYS 2 -5.524 -10.883 10.784 1450 1HB LYS 2 2HB LYS 2 -7.643 -10.608 8.643 1451 2HB LYS 2 1HB LYS 2 -6.379 -11.826 8.670 1452 1HG LYS 2 2HG LYS 2 -7.295 -12.752 10.728 1453 2HG LYS 2 1HG LYS 2 -8.553 -11.517 10.727 1454 1HD LYS 2 2HD LYS 2 -9.461 -13.571 9.859 1455 2HD LYS 2 1HD LYS 2 -9.357 -12.388 8.556 1456 1HE LYS 2 2HE LYS 2 -7.237 -14.467 9.052 1457 2HE LYS 2 1HE LYS 2 -8.625 -14.751 8.005 1458 1HZ LYS 2 1HZ LYS 2 -6.221 -13.330 7.463 1459 2HZ LYS 2 2HZ LYS 2 -7.574 -12.355 7.171 1460 3HZ LYS 2 3HZ LYS 2 -7.424 -13.848 6.392 1461 H ASP 3 H ASP 3 -3.645 -10.564 9.775 1462 HA ASP 3 HA ASP 3 -3.168 -8.064 8.471 1463 1HB ASP 3 2HB ASP 3 -0.837 -8.912 8.246 1464 2HB ASP 3 1HB ASP 3 -1.449 -8.958 9.895 1465 H THR 4 H THR 4 -3.449 -7.628 6.383 1466 HA THR 4 HA THR 4 -3.931 -9.753 4.497 1467 HB THR 4 HB THR 4 -5.209 -7.633 4.421 1468 HG1 THR 4 1HG THR 4 -3.606 -7.974 2.111 1469 1HG2 THR 4 1HG2 THR 4 -2.846 -6.346 4.797 1470 2HG2 THR 4 2HG2 THR 4 -4.335 -5.596 4.225 1471 3HG2 THR 4 3HG2 THR 4 -3.114 -6.127 3.068 1472 H GLY 5 H GLY 5 -2.535 -10.557 3.042 1473 1HA GLY 5 2HA GLY 5 0.096 -9.230 2.805 1474 2HA GLY 5 1HA GLY 5 -0.070 -10.978 2.922 1475 H ILE 6 H ILE 6 0.842 -8.874 0.784 1476 HA ILE 6 HA ILE 6 -0.174 -10.447 -1.422 1477 HB ILE 6 HB ILE 6 -0.969 -8.554 -2.733 1478 1HG1 ILE 6 2HG1 ILE 6 -0.691 -6.915 -0.206 1479 2HG1 ILE 6 1HG1 ILE 6 0.434 -6.836 -1.560 1480 1HG2 ILE 6 1HG2 ILE 6 -2.514 -9.885 -1.308 1481 2HG2 ILE 6 2HG2 ILE 6 -3.075 -8.245 -1.634 1482 3HG2 ILE 6 3HG2 ILE 6 -2.369 -8.640 -0.066 1483 1HD1 ILE 6 1HD1 ILE 6 -1.526 -6.215 -3.001 1484 2HD1 ILE 6 2HD1 ILE 6 -1.047 -5.020 -1.795 1485 3HD1 ILE 6 3HD1 ILE 6 -2.458 -6.040 -1.513 1486 H GLN 7 H GLN 7 0.737 -9.748 -3.510 1487 HA GLN 7 HA GLN 7 3.164 -8.207 -3.504 1488 1HB GLN 7 2HB GLN 7 4.084 -10.234 -2.600 1489 2HB GLN 7 1HB GLN 7 3.238 -11.215 -3.787 1490 1HG GLN 7 2HG GLN 7 5.645 -10.978 -4.247 1491 2HG GLN 7 1HG GLN 7 4.627 -10.381 -5.554 1492 1HE2 GLN 7 1HE2 GLN 7 7.351 -9.769 -3.957 1493 2HE2 GLN 7 2HE2 GLN 7 7.425 -8.051 -4.099 1494 H VAL 8 H VAL 8 1.683 -7.168 -5.021 1495 HA VAL 8 HA VAL 8 0.830 -8.468 -7.392 1496 HB VAL 8 HB VAL 8 1.193 -5.506 -6.918 1497 1HG1 VAL 8 1HG1 VAL 8 -0.559 -5.301 -8.671 1498 2HG1 VAL 8 2HG1 VAL 8 -0.412 -7.035 -8.961 1499 3HG1 VAL 8 3HG1 VAL 8 0.962 -5.971 -9.262 1500 1HG2 VAL 8 1HG2 VAL 8 -1.411 -5.800 -6.628 1501 2HG2 VAL 8 2HG2 VAL 8 -0.307 -6.027 -5.271 1502 3HG2 VAL 8 3HG2 VAL 8 -0.940 -7.427 -6.138 1503 H ASP 9 H ASP 9 1.622 -8.359 -9.470 1504 HA ASP 9 HA ASP 9 4.058 -6.976 -10.118 1505 1HB ASP 9 1HB ASP 9 5.330 -9.012 -10.727 1506 2HB ASP 9 2HB ASP 9 4.052 -10.005 -10.031 1507 H ARG 10 H ARG 10 3.854 -6.347 -12.170 1508 HA ARG 10 HA ARG 10 1.698 -7.203 -13.783 1509 1HB ARG 10 2HB ARG 10 2.689 -4.951 -13.931 1510 2HB ARG 10 1HB ARG 10 4.164 -5.651 -14.589 1511 1HG ARG 10 2HG ARG 10 3.000 -6.383 -16.560 1512 2HG ARG 10 1HG ARG 10 1.456 -5.856 -15.887 1513 1HD ARG 10 2HD ARG 10 2.229 -3.546 -15.893 1514 2HD ARG 10 1HD ARG 10 3.795 -4.060 -16.523 1515 HE ARG 10 HE ARG 10 1.794 -4.962 -18.261 1516 1HH1 ARG 10 1HH1 ARG 10 3.247 -1.969 -17.208 1517 2HH1 ARG 10 2HH1 ARG 10 2.922 -1.143 -18.695 1518 1HH2 ARG 10 1HH2 ARG 10 1.368 -3.878 -20.218 1519 2HH2 ARG 10 2HH2 ARG 10 1.856 -2.226 -20.404 1520 H ASP 11 H ASP 11 1.541 -8.680 -15.359 1521 HA ASP 11 HA ASP 11 3.662 -9.729 -16.865 1522 1HB ASP 11 2HB ASP 11 4.176 -10.735 -14.584 1523 2HB ASP 11 1HB ASP 11 2.693 -11.666 -14.764 1524 H LEU 12 H LEU 12 1.298 -8.799 -17.666 1525 HA LEU 12 HA LEU 12 -0.703 -10.835 -17.899 1526 1HB LEU 12 2HB LEU 12 -0.353 -8.185 -19.298 1527 2HB LEU 12 1HB LEU 12 -1.734 -9.237 -19.542 1528 HG LEU 12 HG LEU 12 -2.316 -9.010 -17.154 1529 1HD1 LEU 12 1HD1 LEU 12 -0.308 -8.594 -16.045 1530 2HD1 LEU 12 2HD1 LEU 12 -1.168 -7.055 -15.963 1531 3HD1 LEU 12 3HD1 LEU 12 0.130 -7.280 -17.135 1532 1HD2 LEU 12 1HD2 LEU 12 -1.981 -6.307 -18.431 1533 2HD2 LEU 12 2HD2 LEU 12 -3.237 -6.829 -17.310 1534 3HD2 LEU 12 3HD2 LEU 12 -3.191 -7.481 -18.947 1535 H ASP 13 H ASP 13 1.650 -11.956 -18.754 1536 HA ASP 13 HA ASP 13 1.080 -12.403 -21.596 1537 1HB ASP 13 2HB ASP 13 3.822 -11.963 -20.394 1538 2HB ASP 13 1HB ASP 13 3.545 -12.591 -22.014 1539 H GLY 14 H GLY 14 1.300 -14.502 -22.283 1540 1HA GLY 14 2HA GLY 14 1.063 -16.551 -20.375 1541 2HA GLY 14 1HA GLY 14 1.351 -16.788 -22.093 1542 H LYS 15 H LYS 15 2.950 -18.230 -22.220 1543 HA LYS 15 HA LYS 15 4.979 -18.620 -20.339 1544 1HB LYS 15 2HB LYS 15 4.994 -19.293 -23.288 1545 2HB LYS 15 1HB LYS 15 6.093 -19.950 -22.082 1546 1HG LYS 15 2HG LYS 15 4.273 -21.050 -20.954 1547 2HG LYS 15 1HG LYS 15 3.105 -20.303 -22.043 1548 1HD LYS 15 2HD LYS 15 3.482 -22.581 -22.732 1549 2HD LYS 15 1HD LYS 15 4.176 -21.495 -23.935 1550 1HE LYS 15 2HE LYS 15 5.785 -22.751 -21.722 1551 2HE LYS 15 1HE LYS 15 5.578 -23.497 -23.305 1552 1HZ LYS 15 1HZ LYS 15 7.318 -21.377 -22.516 1553 2HZ LYS 15 2HZ LYS 15 6.372 -20.936 -23.850 1554 3HZ LYS 15 3HZ LYS 15 7.340 -22.321 -23.921 1555 H SER 16 H SER 16 4.937 -16.694 -23.311 1556 HA SER 16 HA SER 16 7.636 -16.000 -23.400 1557 1HB SER 16 2HB SER 16 5.243 -14.361 -24.268 1558 2HB SER 16 1HB SER 16 6.912 -14.063 -24.753 1559 HG SER 16 HG SER 16 5.277 -15.522 -26.040 1560 H HIS 17 H HIS 17 8.885 -14.737 -22.201 1561 HA HIS 17 HA HIS 17 7.795 -13.386 -19.905 1562 1HB HIS 17 2HB HIS 17 10.636 -13.504 -20.941 1563 2HB HIS 17 1HB HIS 17 10.145 -12.881 -19.368 1564 HD1 HIS 17 1HD HIS 17 8.581 -14.892 -18.041 1565 HD2 HIS 17 2HD HIS 17 11.587 -16.007 -20.684 1566 HE1 HIS 17 1HE HIS 17 9.168 -17.259 -17.431 1567 HE2 HIS 17 2HE HIS 17 10.924 -17.943 -19.103 1568 H LYS 18 H LYS 18 7.587 -11.221 -19.564 1569 HA LYS 18 HA LYS 18 7.261 -9.503 -21.752 1570 1HB LYS 18 2HB LYS 18 7.639 -8.856 -18.824 1571 2HB LYS 18 1HB LYS 18 7.145 -7.688 -20.041 1572 1HG LYS 18 2HG LYS 18 5.134 -9.008 -20.487 1573 2HG LYS 18 1HG LYS 18 5.629 -10.168 -19.252 1574 1HD LYS 18 2HD LYS 18 3.966 -8.587 -18.392 1575 2HD LYS 18 1HD LYS 18 5.509 -8.425 -17.550 1576 1HE LYS 18 2HE LYS 18 4.535 -6.244 -18.068 1577 2HE LYS 18 1HE LYS 18 6.061 -6.485 -18.918 1578 1HZ LYS 18 1HZ LYS 18 3.986 -5.555 -20.159 1579 2HZ LYS 18 2HZ LYS 18 3.556 -7.185 -20.277 1580 3HZ LYS 18 3HZ LYS 18 5.020 -6.650 -20.932 1581 1H MET 1 1HT MET 1 -2.531 12.953 14.117 1582 2H MET 1 2HT MET 1 -3.814 13.988 13.640 1583 3H MET 1 3HT MET 1 -2.261 14.159 12.931 1584 HA MET 1 HA MET 1 -2.656 11.687 12.313 1585 1HB MET 1 2HB MET 1 -5.412 12.901 12.602 1586 2HB MET 1 1HB MET 1 -5.080 11.454 11.662 1587 1HG MET 1 2HG MET 1 -5.921 10.756 13.759 1588 2HG MET 1 1HG MET 1 -4.196 10.399 13.745 1589 1HE MET 1 1HE MET 1 -4.137 10.164 16.500 1590 2HE MET 1 2HE MET 1 -5.883 10.300 16.289 1591 3HE MET 1 3HE MET 1 -5.061 11.288 17.496 1592 H LYS 2 H LYS 2 -2.229 11.582 10.192 1593 HA LYS 2 HA LYS 2 -3.274 13.587 8.372 1594 1HB LYS 2 2HB LYS 2 -0.311 13.161 8.795 1595 2HB LYS 2 1HB LYS 2 -0.989 14.022 7.424 1596 1HG LYS 2 2HG LYS 2 -1.681 14.920 10.179 1597 2HG LYS 2 1HG LYS 2 -0.095 15.303 9.520 1598 1HD LYS 2 2HD LYS 2 -1.705 17.110 9.128 1599 2HD LYS 2 1HD LYS 2 -1.128 16.411 7.617 1600 1HE LYS 2 2HE LYS 2 -3.166 15.141 7.381 1601 2HE LYS 2 1HE LYS 2 -3.734 15.697 8.956 1602 1HZ LYS 2 1HZ LYS 2 -4.417 16.849 6.669 1603 2HZ LYS 2 2HZ LYS 2 -3.043 17.765 7.032 1604 3HZ LYS 2 3HZ LYS 2 -4.325 17.695 8.132 1605 H ASP 3 H ASP 3 -3.720 12.776 6.433 1606 HA ASP 3 HA ASP 3 -3.346 9.982 5.993 1607 1HB ASP 3 2HB ASP 3 -4.536 10.424 3.845 1608 2HB ASP 3 1HB ASP 3 -5.403 10.998 5.266 1609 H THR 4 H THR 4 -1.676 9.009 5.051 1610 HA THR 4 HA THR 4 0.429 10.538 3.844 1611 HB THR 4 HB THR 4 0.856 8.512 5.202 1612 HG1 THR 4 1HG THR 4 2.084 7.452 3.240 1613 1HG2 THR 4 1HG2 THR 4 0.250 6.390 4.644 1614 2HG2 THR 4 2HG2 THR 4 0.091 6.764 2.928 1615 3HG2 THR 4 3HG2 THR 4 -1.158 7.277 4.065 1616 H GLY 5 H GLY 5 0.920 10.756 1.711 1617 1HA GLY 5 2HA GLY 5 -0.760 9.310 -0.231 1618 2HA GLY 5 1HA GLY 5 -0.597 11.058 -0.339 1619 H ILE 6 H ILE 6 0.387 8.387 -1.792 1620 HA ILE 6 HA ILE 6 2.744 9.656 -2.865 1621 HB ILE 6 HB ILE 6 4.272 7.799 -2.443 1622 1HG1 ILE 6 2HG1 ILE 6 2.122 6.709 -0.617 1623 2HG1 ILE 6 1HG1 ILE 6 2.521 6.044 -2.199 1624 1HG2 ILE 6 1HG2 ILE 6 4.159 9.746 -0.899 1625 2HG2 ILE 6 2HG2 ILE 6 4.771 8.269 -0.151 1626 3HG2 ILE 6 3HG2 ILE 6 3.113 8.790 0.153 1627 1HD1 ILE 6 1HD1 ILE 6 3.608 4.694 -0.610 1628 2HD1 ILE 6 2HD1 ILE 6 4.224 6.095 0.269 1629 3HD1 ILE 6 3HD1 ILE 6 4.858 5.709 -1.331 1630 H GLN 7 H GLN 7 3.784 8.205 -4.555 1631 HA GLN 7 HA GLN 7 2.171 6.144 -5.723 1632 1HB GLN 7 2HB GLN 7 1.003 8.294 -6.386 1633 2HB GLN 7 1HB GLN 7 2.447 8.711 -7.295 1634 1HG GLN 7 2HG GLN 7 0.720 6.291 -7.760 1635 2HG GLN 7 1HG GLN 7 0.700 7.770 -8.715 1636 1HE2 GLN 7 1HE2 GLN 7 1.754 4.707 -8.700 1637 2HE2 GLN 7 2HE2 GLN 7 3.139 4.848 -9.722 1638 H VAL 8 H VAL 8 4.130 5.022 -5.536 1639 HA VAL 8 HA VAL 8 6.575 5.944 -6.640 1640 HB VAL 8 HB VAL 8 5.757 3.100 -6.022 1641 1HG1 VAL 8 1HG1 VAL 8 8.099 2.602 -5.928 1642 2HG1 VAL 8 2HG1 VAL 8 8.518 4.296 -6.185 1643 3HG1 VAL 8 3HG1 VAL 8 7.758 3.370 -7.479 1644 1HG2 VAL 8 1HG2 VAL 8 7.338 3.812 -3.971 1645 2HG2 VAL 8 2HG2 VAL 8 5.581 3.960 -3.940 1646 3HG2 VAL 8 3HG2 VAL 8 6.577 5.365 -4.317 1647 H ASP 9 H ASP 9 7.621 5.376 -8.523 1648 HA ASP 9 HA ASP 9 6.764 3.551 -10.452 1649 1HB ASP 9 2HB ASP 9 4.840 5.210 -10.569 1650 2HB ASP 9 1HB ASP 9 5.997 6.380 -11.192 1651 H ARG 10 H ARG 10 9.186 4.223 -9.363 1652 HA ARG 10 HA ARG 10 10.651 6.024 -11.033 1653 1HB ARG 10 2HB ARG 10 11.529 3.987 -8.993 1654 2HB ARG 10 1HB ARG 10 12.653 5.014 -9.870 1655 1HG ARG 10 2HG ARG 10 12.220 5.932 -7.684 1656 2HG ARG 10 1HG ARG 10 11.562 6.998 -8.925 1657 1HD ARG 10 2HD ARG 10 9.337 6.126 -8.529 1658 2HD ARG 10 1HD ARG 10 9.971 4.975 -7.352 1659 HE ARG 10 HE ARG 10 9.875 6.637 -5.803 1660 1HH1 ARG 10 1HH1 ARG 10 10.012 8.120 -8.961 1661 2HH1 ARG 10 2HH1 ARG 10 9.906 9.734 -8.344 1662 1HH2 ARG 10 1HH2 ARG 10 9.727 8.759 -4.993 1663 2HH2 ARG 10 2HH2 ARG 10 9.741 10.097 -6.093 1664 H ASP 11 H ASP 11 10.428 2.503 -10.787 1665 HA ASP 11 HA ASP 11 10.961 0.836 -12.246 1666 1HB ASP 11 2HB ASP 11 11.014 3.076 -14.285 1667 2HB ASP 11 1HB ASP 11 10.994 1.357 -14.658 1668 H LEU 12 H LEU 12 12.985 1.786 -10.710 1669 HA LEU 12 HA LEU 12 15.318 2.459 -12.221 1670 1HB LEU 12 2HB LEU 12 15.115 1.442 -9.387 1671 2HB LEU 12 1HB LEU 12 16.504 2.228 -10.109 1672 HG LEU 12 HG LEU 12 13.826 3.502 -9.555 1673 1HD1 LEU 12 1HD1 LEU 12 15.682 2.977 -7.726 1674 2HD1 LEU 12 2HD1 LEU 12 14.723 4.457 -7.706 1675 3HD1 LEU 12 3HD1 LEU 12 16.357 4.474 -8.368 1676 1HD2 LEU 12 1HD2 LEU 12 14.357 4.983 -11.124 1677 2HD2 LEU 12 2HD2 LEU 12 15.932 4.233 -11.384 1678 3HD2 LEU 12 3HD2 LEU 12 15.734 5.459 -10.132 1679 H ASP 13 H ASP 13 14.525 0.351 -13.558 1680 HA ASP 13 HA ASP 13 16.463 -1.716 -12.816 1681 1HB ASP 13 2HB ASP 13 13.619 -2.270 -13.683 1682 2HB ASP 13 1HB ASP 13 14.867 -3.490 -13.447 1683 H GLY 14 H GLY 14 17.636 -2.491 -14.472 1684 1HA GLY 14 2HA GLY 14 17.677 -1.154 -16.942 1685 2HA GLY 14 1HA GLY 14 18.516 -2.656 -16.584 1686 H LYS 15 H LYS 15 18.023 -4.214 -17.964 1687 HA LYS 15 HA LYS 15 16.051 -4.196 -19.870 1688 1HB LYS 15 2HB LYS 15 17.205 -6.631 -18.496 1689 2HB LYS 15 1HB LYS 15 16.363 -6.634 -20.040 1690 1HG LYS 15 2HG LYS 15 18.113 -5.234 -21.006 1691 2HG LYS 15 1HG LYS 15 18.954 -5.217 -19.455 1692 1HD LYS 15 2HD LYS 15 19.206 -7.652 -19.570 1693 2HD LYS 15 1HD LYS 15 18.368 -7.663 -21.122 1694 1HE LYS 15 2HE LYS 15 20.975 -6.268 -20.523 1695 2HE LYS 15 1HE LYS 15 20.791 -7.777 -21.416 1696 1HZ LYS 15 1HZ LYS 15 19.167 -6.192 -22.798 1697 2HZ LYS 15 2HZ LYS 15 20.807 -6.388 -23.168 1698 3HZ LYS 15 3HZ LYS 15 20.298 -5.048 -22.272 1699 H SER 16 H SER 16 15.872 -5.527 -16.596 1700 HA SER 16 HA SER 16 13.321 -6.679 -16.797 1701 1HB SER 16 2HB SER 16 14.838 -7.180 -14.939 1702 2HB SER 16 1HB SER 16 14.704 -5.517 -14.366 1703 HG SER 16 HG SER 16 13.203 -7.495 -13.655 1704 H HIS 17 H HIS 17 11.291 -5.887 -16.575 1705 HA HIS 17 HA HIS 17 10.672 -3.288 -17.217 1706 1HB HIS 17 2HB HIS 17 8.399 -3.757 -16.461 1707 2HB HIS 17 1HB HIS 17 9.061 -5.146 -17.315 1708 HD1 HIS 17 1HD HIS 17 10.288 -6.910 -15.413 1709 HD2 HIS 17 2HD HIS 17 7.075 -4.542 -14.261 1710 HE1 HIS 17 1HE HIS 17 9.336 -8.019 -13.370 1711 HE2 HIS 17 2HE HIS 17 7.334 -6.623 -12.748 1712 H LYS 18 H LYS 18 10.819 -4.708 -13.962 1713 HA LYS 18 HA LYS 18 11.869 -2.484 -12.691 1714 1HB LYS 18 2HB LYS 18 9.821 -1.668 -11.459 1715 2HB LYS 18 1HB LYS 18 9.904 -1.224 -13.157 1716 1HG LYS 18 2HG LYS 18 8.351 -2.996 -13.725 1717 2HG LYS 18 1HG LYS 18 8.301 -3.513 -12.039 1718 1HD LYS 18 2HD LYS 18 7.324 -1.386 -11.392 1719 2HD LYS 18 1HD LYS 18 7.450 -0.801 -13.053 1720 1HE LYS 18 2HE LYS 18 5.831 -3.194 -12.192 1721 2HE LYS 18 1HE LYS 18 5.171 -1.579 -12.436 1722 1HZ LYS 18 1HZ LYS 18 6.694 -2.521 -14.679 1723 2HZ LYS 18 2HZ LYS 18 5.136 -1.865 -14.631 1724 3HZ LYS 18 3HZ LYS 18 5.369 -3.513 -14.328 Start of MODEL 8 1 1H MET 1 1HT MET 1 -23.317 0.608 -16.697 2 2H MET 1 2HT MET 1 -23.784 1.011 -15.097 3 3H MET 1 3HT MET 1 -24.348 -0.440 -15.817 4 HA MET 1 HA MET 1 -21.569 0.224 -15.108 5 1HB MET 1 2HB MET 1 -23.135 -0.287 -13.237 6 2HB MET 1 1HB MET 1 -23.497 -1.828 -13.998 7 1HG MET 1 2HG MET 1 -21.175 -2.516 -13.736 8 2HG MET 1 1HG MET 1 -20.792 -0.961 -13.002 9 1HE MET 1 1HE MET 1 -24.176 -3.033 -12.256 10 2HE MET 1 2HE MET 1 -23.476 -4.201 -11.136 11 3HE MET 1 3HE MET 1 -22.923 -4.143 -12.809 12 H CYS 2 H CYS 2 -21.931 -0.299 -17.717 13 HA CYS 2 HA CYS 2 -22.047 -3.012 -18.457 14 1HB CYS 2 2HB CYS 2 -20.700 -0.699 -19.867 15 2HB CYS 2 1HB CYS 2 -21.055 -2.263 -20.591 16 HG CYS 2 HG CYS 2 -23.668 -1.516 -19.971 17 H ASP 3 H ASP 3 -19.296 -0.875 -17.787 18 HA ASP 3 HA ASP 3 -17.323 -2.869 -18.296 19 1HB ASP 3 2HB ASP 3 -17.119 -0.261 -16.778 20 2HB ASP 3 1HB ASP 3 -15.754 -1.248 -17.290 21 H ARG 4 H ARG 4 -18.892 -4.285 -16.757 22 HA ARG 4 HA ARG 4 -18.123 -4.070 -13.966 23 1HB ARG 4 2HB ARG 4 -20.443 -4.643 -14.599 24 2HB ARG 4 1HB ARG 4 -19.861 -6.113 -15.368 25 1HG ARG 4 2HG ARG 4 -20.826 -6.544 -13.170 26 2HG ARG 4 1HG ARG 4 -19.118 -6.972 -13.224 27 1HD ARG 4 2HD ARG 4 -18.560 -4.848 -12.135 28 2HD ARG 4 1HD ARG 4 -20.273 -4.432 -12.076 29 HE ARG 4 HE ARG 4 -19.906 -6.915 -10.830 30 1HH1 ARG 4 1HH1 ARG 4 -19.144 -3.548 -10.324 31 2HH1 ARG 4 2HH1 ARG 4 -19.129 -3.684 -8.597 32 1HH2 ARG 4 1HH2 ARG 4 -19.887 -7.097 -8.565 33 2HH2 ARG 4 2HH2 ARG 4 -19.552 -5.700 -7.598 34 H LYS 5 H LYS 5 -15.916 -4.515 -15.574 35 HA LYS 5 HA LYS 5 -15.278 -7.320 -15.614 36 1HB LYS 5 2HB LYS 5 -13.492 -4.918 -16.061 37 2HB LYS 5 1HB LYS 5 -13.090 -6.587 -16.440 38 1HG LYS 5 2HG LYS 5 -15.291 -4.973 -17.710 39 2HG LYS 5 1HG LYS 5 -13.729 -5.359 -18.435 40 1HD LYS 5 2HD LYS 5 -14.271 -7.744 -18.329 41 2HD LYS 5 1HD LYS 5 -15.831 -7.357 -17.601 42 1HE LYS 5 2HE LYS 5 -16.062 -7.800 -19.988 43 2HE LYS 5 1HE LYS 5 -16.468 -6.126 -19.611 44 1HZ LYS 5 1HZ LYS 5 -14.296 -5.445 -20.384 45 2HZ LYS 5 2HZ LYS 5 -15.092 -6.311 -21.600 46 3HZ LYS 5 3HZ LYS 5 -13.864 -7.050 -20.701 47 H ALA 6 H ALA 6 -12.408 -6.248 -14.704 48 HA ALA 6 HA ALA 6 -11.153 -6.317 -12.821 49 1HB ALA 6 1HB ALA 6 -11.929 -5.247 -10.897 50 2HB ALA 6 2HB ALA 6 -13.601 -5.709 -11.204 51 3HB ALA 6 3HB ALA 6 -12.827 -4.482 -12.205 52 H VAL 7 H VAL 7 -10.382 -8.043 -11.758 53 HA VAL 7 HA VAL 7 -12.263 -10.185 -11.091 54 HB VAL 7 HB VAL 7 -10.288 -11.651 -11.133 55 1HG1 VAL 7 1HG1 VAL 7 -10.215 -10.403 -13.800 56 2HG1 VAL 7 2HG1 VAL 7 -11.813 -10.836 -13.193 57 3HG1 VAL 7 3HG1 VAL 7 -10.562 -12.069 -13.340 58 1HG2 VAL 7 1HG2 VAL 7 -8.868 -9.248 -12.258 59 2HG2 VAL 7 2HG2 VAL 7 -8.205 -10.877 -12.119 60 3HG2 VAL 7 3HG2 VAL 7 -8.587 -9.954 -10.665 61 H ILE 8 H ILE 8 -12.352 -11.021 -9.088 62 HA ILE 8 HA ILE 8 -11.067 -9.534 -6.955 63 HB ILE 8 HB ILE 8 -13.108 -11.760 -6.897 64 1HG1 ILE 8 2HG1 ILE 8 -14.590 -9.972 -6.031 65 2HG1 ILE 8 1HG1 ILE 8 -13.284 -8.810 -6.240 66 1HG2 ILE 8 1HG2 ILE 8 -12.222 -12.167 -4.856 67 2HG2 ILE 8 2HG2 ILE 8 -13.210 -10.778 -4.406 68 3HG2 ILE 8 3HG2 ILE 8 -11.491 -10.567 -4.732 69 1HD1 ILE 8 1HD1 ILE 8 -15.081 -8.892 -8.026 70 2HD1 ILE 8 2HD1 ILE 8 -14.353 -10.420 -8.531 71 3HD1 ILE 8 3HD1 ILE 8 -13.403 -8.933 -8.570 72 H LYS 9 H LYS 9 -9.517 -10.283 -5.580 73 HA LYS 9 HA LYS 9 -8.437 -12.962 -6.158 74 1HB LYS 9 2HB LYS 9 -6.934 -10.460 -5.379 75 2HB LYS 9 1HB LYS 9 -6.212 -12.055 -5.532 76 1HG LYS 9 2HG LYS 9 -7.512 -10.474 -7.739 77 2HG LYS 9 1HG LYS 9 -5.782 -10.725 -7.508 78 1HD LYS 9 2HD LYS 9 -7.836 -12.865 -8.070 79 2HD LYS 9 1HD LYS 9 -6.656 -12.228 -9.217 80 1HE LYS 9 2HE LYS 9 -6.015 -13.688 -6.657 81 2HE LYS 9 1HE LYS 9 -5.952 -14.381 -8.276 82 1HZ LYS 9 1HZ LYS 9 -4.333 -12.040 -7.442 83 2HZ LYS 9 2HZ LYS 9 -4.172 -12.953 -8.857 84 3HZ LYS 9 3HZ LYS 9 -3.773 -13.635 -7.362 85 H ASN 10 H ASN 10 -8.694 -10.459 -3.623 86 HA ASN 10 HA ASN 10 -8.193 -12.500 -1.592 87 1HB ASN 10 2HB ASN 10 -8.523 -9.503 -1.371 88 2HB ASN 10 1HB ASN 10 -8.214 -10.572 -0.012 89 1HD2 ASN 10 1HD2 ASN 10 -6.545 -11.944 -2.465 90 2HD2 ASN 10 2HD2 ASN 10 -5.022 -11.162 -2.258 91 H ALA 11 H ALA 11 -10.598 -9.924 -2.121 92 HA ALA 11 HA ALA 11 -12.810 -9.780 -1.635 93 1HB ALA 11 1HB ALA 11 -13.376 -12.606 -1.291 94 2HB ALA 11 2HB ALA 11 -12.447 -12.278 -2.754 95 3HB ALA 11 3HB ALA 11 -13.991 -11.466 -2.489 96 H ASP 12 H ASP 12 -13.819 -9.266 0.189 97 HA ASP 12 HA ASP 12 -14.154 -10.854 2.446 98 1HB ASP 12 2HB ASP 12 -11.727 -10.618 2.765 99 2HB ASP 12 1HB ASP 12 -11.887 -8.867 2.749 100 H MET 13 H MET 13 -15.812 -9.318 1.024 101 HA MET 13 HA MET 13 -16.845 -7.481 2.989 102 1HB MET 13 2HB MET 13 -15.866 -6.520 0.304 103 2HB MET 13 1HB MET 13 -17.085 -5.649 1.221 104 1HG MET 13 2HG MET 13 -15.515 -5.370 3.059 105 2HG MET 13 1HG MET 13 -14.294 -6.259 2.151 106 1HE MET 13 1HE MET 13 -13.947 -3.502 3.489 107 2HE MET 13 2HE MET 13 -13.314 -2.364 2.301 108 3HE MET 13 3HE MET 13 -12.571 -3.953 2.482 109 H SER 14 H SER 14 -19.045 -7.117 2.755 110 HA SER 14 HA SER 14 -20.611 -9.035 1.559 111 1HB SER 14 2HB SER 14 -21.465 -7.491 3.262 112 2HB SER 14 1HB SER 14 -21.362 -6.153 2.117 113 HG SER 14 HG SER 14 -22.902 -8.471 1.607 114 H GLU 15 H GLU 15 -21.750 -9.221 -0.359 115 HA GLU 15 HA GLU 15 -20.609 -8.594 -2.728 116 1HB GLU 15 2HB GLU 15 -22.797 -8.933 -3.792 117 2HB GLU 15 1HB GLU 15 -22.481 -10.131 -2.545 118 1HG GLU 15 2HG GLU 15 -23.904 -8.894 -0.994 119 2HG GLU 15 1HG GLU 15 -24.219 -7.693 -2.245 120 H GLU 16 H GLU 16 -22.885 -6.566 -0.964 121 HA GLU 16 HA GLU 16 -23.108 -4.578 -2.975 122 1HB GLU 16 2HB GLU 16 -24.131 -3.201 -1.210 123 2HB GLU 16 1HB GLU 16 -24.812 -4.821 -1.261 124 1HG GLU 16 2HG GLU 16 -23.410 -5.463 0.640 125 2HG GLU 16 1HG GLU 16 -22.750 -3.829 0.695 126 H MET 17 H MET 17 -21.124 -4.802 -0.027 127 HA MET 17 HA MET 17 -19.948 -2.274 -0.232 128 1HB MET 17 2HB MET 17 -19.850 -3.655 1.794 129 2HB MET 17 1HB MET 17 -18.788 -4.787 0.970 130 1HG MET 17 2HG MET 17 -17.068 -3.110 0.792 131 2HG MET 17 1HG MET 17 -18.139 -1.897 1.492 132 1HE MET 17 1HE MET 17 -18.493 -2.490 4.995 133 2HE MET 17 2HE MET 17 -19.253 -3.965 4.398 134 3HE MET 17 3HE MET 17 -19.460 -2.450 3.521 135 H GLN 18 H GLN 18 -18.746 -5.419 -1.374 136 HA GLN 18 HA GLN 18 -16.387 -4.420 -2.538 137 1HB GLN 18 2HB GLN 18 -16.397 -6.534 -3.862 138 2HB GLN 18 1HB GLN 18 -16.584 -6.772 -2.130 139 1HG GLN 18 2HG GLN 18 -19.028 -6.994 -2.482 140 2HG GLN 18 1HG GLN 18 -18.741 -6.904 -4.219 141 1HE2 GLN 18 1HE2 GLN 18 -19.043 -8.924 -1.598 142 2HE2 GLN 18 2HE2 GLN 18 -18.379 -10.361 -2.286 143 H GLN 19 H GLN 19 -19.673 -4.704 -3.736 144 HA GLN 19 HA GLN 19 -19.153 -4.179 -6.450 145 1HB GLN 19 2HB GLN 19 -21.306 -5.045 -5.662 146 2HB GLN 19 1HB GLN 19 -21.612 -3.537 -4.811 147 1HG GLN 19 2HG GLN 19 -21.638 -2.344 -6.943 148 2HG GLN 19 1HG GLN 19 -21.347 -3.863 -7.791 149 1HE2 GLN 19 1HE2 GLN 19 -23.098 -4.685 -8.659 150 2HE2 GLN 19 2HE2 GLN 19 -24.706 -4.562 -8.039 151 H ASP 20 H ASP 20 -19.880 -2.030 -3.737 152 HA ASP 20 HA ASP 20 -19.916 0.372 -5.211 153 1HB ASP 20 2HB ASP 20 -19.336 -0.177 -2.299 154 2HB ASP 20 1HB ASP 20 -19.412 1.450 -2.970 155 H SER 21 H SER 21 -17.300 -1.444 -3.721 156 HA SER 21 HA SER 21 -15.317 0.544 -4.051 157 1HB SER 21 2HB SER 21 -15.006 -2.473 -3.972 158 2HB SER 21 1HB SER 21 -13.697 -1.305 -3.782 159 HG SER 21 HG SER 21 -14.952 -0.490 -1.947 160 H VAL 22 H VAL 22 -16.405 -2.126 -6.093 161 HA VAL 22 HA VAL 22 -14.524 -1.779 -8.156 162 HB VAL 22 HB VAL 22 -17.331 -2.888 -8.329 163 1HG1 VAL 22 1HG1 VAL 22 -16.347 -2.254 -10.517 164 2HG1 VAL 22 2HG1 VAL 22 -16.643 -3.985 -10.352 165 3HG1 VAL 22 3HG1 VAL 22 -15.005 -3.349 -10.188 166 1HG2 VAL 22 1HG2 VAL 22 -15.321 -3.870 -6.808 167 2HG2 VAL 22 2HG2 VAL 22 -15.019 -4.703 -8.333 168 3HG2 VAL 22 3HG2 VAL 22 -16.586 -4.858 -7.538 169 H GLU 23 H GLU 23 -17.822 -0.545 -7.756 170 HA GLU 23 HA GLU 23 -17.881 0.904 -10.184 171 1HB GLU 23 2HB GLU 23 -19.456 1.324 -7.639 172 2HB GLU 23 1HB GLU 23 -19.803 2.109 -9.173 173 1HG GLU 23 2HG GLU 23 -20.177 -0.113 -10.182 174 2HG GLU 23 1HG GLU 23 -19.930 -0.840 -8.594 175 H CYS 24 H CYS 24 -17.092 1.812 -6.864 176 HA CYS 24 HA CYS 24 -16.653 4.548 -7.370 177 1HB CYS 24 2HB CYS 24 -15.624 2.726 -5.198 178 2HB CYS 24 1HB CYS 24 -15.293 4.455 -5.235 179 HG CYS 24 HG CYS 24 -17.994 3.159 -4.546 180 H ALA 25 H ALA 25 -14.604 1.726 -7.730 181 HA ALA 25 HA ALA 25 -12.166 3.171 -8.034 182 1HB ALA 25 1HB ALA 25 -12.245 0.785 -7.394 183 2HB ALA 25 2HB ALA 25 -11.233 1.072 -8.809 184 3HB ALA 25 3HB ALA 25 -12.849 0.395 -9.004 185 H THR 26 H THR 26 -14.667 1.959 -10.178 186 HA THR 26 HA THR 26 -13.380 2.462 -12.613 187 HB THR 26 HB THR 26 -16.335 2.473 -11.986 188 HG1 THR 26 1HG THR 26 -16.238 0.316 -12.619 189 1HG2 THR 26 1HG2 THR 26 -16.368 1.595 -14.435 190 2HG2 THR 26 2HG2 THR 26 -14.856 2.491 -14.566 191 3HG2 THR 26 3HG2 THR 26 -16.340 3.328 -14.109 192 H GLN 27 H GLN 27 -15.602 4.427 -10.690 193 HA GLN 27 HA GLN 27 -15.715 6.644 -12.397 194 1HB GLN 27 2HB GLN 27 -17.269 6.310 -10.523 195 2HB GLN 27 1HB GLN 27 -15.950 6.539 -9.381 196 1HG GLN 27 2HG GLN 27 -15.665 8.828 -10.166 197 2HG GLN 27 1HG GLN 27 -16.987 8.599 -11.309 198 1HE2 GLN 27 1HE2 GLN 27 -18.816 9.456 -10.659 199 2HE2 GLN 27 2HE2 GLN 27 -19.360 9.597 -9.026 200 H ALA 28 H ALA 28 -13.619 5.947 -9.616 201 HA ALA 28 HA ALA 28 -12.129 8.275 -9.574 202 1HB ALA 28 1HB ALA 28 -10.881 7.215 -8.035 203 2HB ALA 28 2HB ALA 28 -10.590 5.825 -9.078 204 3HB ALA 28 3HB ALA 28 -12.099 5.949 -8.175 205 H LEU 29 H LEU 29 -11.849 5.465 -11.665 206 HA LEU 29 HA LEU 29 -9.351 6.064 -12.800 207 1HB LEU 29 2HB LEU 29 -11.699 4.472 -13.770 208 2HB LEU 29 1HB LEU 29 -10.264 4.677 -14.754 209 HG LEU 29 HG LEU 29 -10.145 3.557 -11.968 210 1HD1 LEU 29 1HD1 LEU 29 -10.815 2.226 -14.555 211 2HD1 LEU 29 2HD1 LEU 29 -11.463 1.935 -12.941 212 3HD1 LEU 29 3HD1 LEU 29 -9.850 1.358 -13.361 213 1HD2 LEU 29 1HD2 LEU 29 -8.273 3.323 -14.318 214 2HD2 LEU 29 2HD2 LEU 29 -8.005 2.705 -12.688 215 3HD2 LEU 29 3HD2 LEU 29 -8.073 4.445 -12.972 216 H GLU 30 H GLU 30 -12.625 6.669 -14.045 217 HA GLU 30 HA GLU 30 -11.822 8.125 -16.302 218 1HB GLU 30 2HB GLU 30 -14.134 9.049 -16.305 219 2HB GLU 30 1HB GLU 30 -14.071 7.298 -16.169 220 1HG GLU 30 2HG GLU 30 -14.529 7.422 -13.810 221 2HG GLU 30 1HG GLU 30 -14.470 9.184 -13.858 222 H LYS 31 H LYS 31 -11.862 9.021 -12.983 223 HA LYS 31 HA LYS 31 -12.067 11.836 -13.340 224 1HB LYS 31 2HB LYS 31 -10.914 10.247 -11.044 225 2HB LYS 31 1HB LYS 31 -11.240 11.974 -11.015 226 1HG LYS 31 2HG LYS 31 -13.273 9.783 -11.334 227 2HG LYS 31 1HG LYS 31 -13.007 10.761 -9.897 228 1HD LYS 31 2HD LYS 31 -13.915 11.773 -12.587 229 2HD LYS 31 1HD LYS 31 -14.939 11.547 -11.168 230 1HE LYS 31 2HE LYS 31 -13.608 13.201 -9.948 231 2HE LYS 31 1HE LYS 31 -12.587 13.426 -11.367 232 1HZ LYS 31 1HZ LYS 31 -15.511 13.897 -11.406 233 2HZ LYS 31 2HZ LYS 31 -14.369 14.371 -12.559 234 3HZ LYS 31 3HZ LYS 31 -14.392 15.114 -11.040 235 H TYR 32 H TYR 32 -9.376 9.565 -13.089 236 HA TYR 32 HA TYR 32 -7.681 11.466 -14.446 237 1HB TYR 32 2HB TYR 32 -6.527 10.347 -11.923 238 2HB TYR 32 1HB TYR 32 -6.031 11.763 -12.838 239 HD1 TYR 32 1HD TYR 32 -8.618 10.463 -10.533 240 HD2 TYR 32 2HD TYR 32 -6.836 13.911 -12.271 241 HE1 TYR 32 1HE TYR 32 -9.829 11.883 -8.934 242 HE2 TYR 32 2HE TYR 32 -8.050 15.345 -10.685 243 HH TYR 32 HH TYR 32 -9.989 15.300 -9.269 244 H ASN 33 H ASN 33 -7.828 8.361 -12.739 245 HA ASN 33 HA ASN 33 -7.114 6.278 -13.318 246 1HB ASN 33 2HB ASN 33 -8.125 6.843 -15.542 247 2HB ASN 33 1HB ASN 33 -6.549 7.434 -16.058 248 1HD2 ASN 33 1HD2 ASN 33 -8.565 4.900 -16.238 249 2HD2 ASN 33 2HD2 ASN 33 -7.433 3.622 -16.500 250 H ILE 34 H ILE 34 -5.366 7.476 -11.831 251 HA ILE 34 HA ILE 34 -2.781 6.860 -13.081 252 HB ILE 34 HB ILE 34 -3.189 9.231 -11.265 253 1HG1 ILE 34 2HG1 ILE 34 -2.853 9.164 -14.273 254 2HG1 ILE 34 1HG1 ILE 34 -4.324 9.605 -13.413 255 1HG2 ILE 34 1HG2 ILE 34 -0.846 9.333 -12.908 256 2HG2 ILE 34 2HG2 ILE 34 -0.888 7.805 -12.030 257 3HG2 ILE 34 3HG2 ILE 34 -0.975 9.330 -11.150 258 1HD1 ILE 34 1HD1 ILE 34 -3.642 11.705 -13.463 259 2HD1 ILE 34 2HD1 ILE 34 -2.085 11.229 -14.139 260 3HD1 ILE 34 3HD1 ILE 34 -2.314 11.260 -12.390 261 H GLU 35 H GLU 35 -4.536 5.406 -11.252 262 HA GLU 35 HA GLU 35 -4.351 4.035 -9.458 263 1HB GLU 35 2HB GLU 35 -1.468 4.930 -9.468 264 2HB GLU 35 1HB GLU 35 -2.107 3.555 -8.579 265 1HG GLU 35 2HG GLU 35 -1.038 2.753 -10.550 266 2HG GLU 35 1HG GLU 35 -2.776 2.535 -10.732 267 H LYS 36 H LYS 36 -2.188 6.756 -8.633 268 HA LYS 36 HA LYS 36 -2.748 6.800 -5.915 269 1HB LYS 36 2HB LYS 36 -0.884 8.015 -6.984 270 2HB LYS 36 1HB LYS 36 -2.037 9.143 -7.677 271 1HG LYS 36 2HG LYS 36 -2.735 9.725 -5.343 272 2HG LYS 36 1HG LYS 36 -1.381 8.751 -4.771 273 1HD LYS 36 2HD LYS 36 -0.554 10.941 -4.801 274 2HD LYS 36 1HD LYS 36 0.074 10.212 -6.280 275 1HE LYS 36 2HE LYS 36 -2.441 11.863 -6.184 276 2HE LYS 36 1HE LYS 36 -0.850 12.544 -6.516 277 1HZ LYS 36 1HZ LYS 36 -2.568 10.934 -8.209 278 2HZ LYS 36 2HZ LYS 36 -0.923 10.555 -8.282 279 3HZ LYS 36 3HZ LYS 36 -1.444 12.126 -8.627 280 H ASP 37 H ASP 37 -4.102 8.952 -8.409 281 HA ASP 37 HA ASP 37 -5.923 10.271 -6.760 282 1HB ASP 37 2HB ASP 37 -6.227 9.699 -9.714 283 2HB ASP 37 1HB ASP 37 -7.047 10.962 -8.803 284 H ILE 38 H ILE 38 -6.284 7.298 -8.634 285 HA ILE 38 HA ILE 38 -8.992 6.859 -8.441 286 HB ILE 38 HB ILE 38 -6.852 4.750 -8.095 287 1HG1 ILE 38 2HG1 ILE 38 -8.168 5.795 -10.614 288 2HG1 ILE 38 1HG1 ILE 38 -6.501 6.090 -10.128 289 1HG2 ILE 38 1HG2 ILE 38 -8.443 3.188 -8.184 290 2HG2 ILE 38 2HG2 ILE 38 -9.281 3.998 -9.506 291 3HG2 ILE 38 3HG2 ILE 38 -9.586 4.487 -7.839 292 1HD1 ILE 38 1HD1 ILE 38 -6.111 3.637 -10.235 293 2HD1 ILE 38 2HD1 ILE 38 -6.512 4.381 -11.783 294 3HD1 ILE 38 3HD1 ILE 38 -7.733 3.462 -10.903 295 H ALA 39 H ALA 39 -6.476 6.071 -6.093 296 HA ALA 39 HA ALA 39 -8.199 4.954 -4.151 297 1HB ALA 39 1HB ALA 39 -5.919 4.367 -4.015 298 2HB ALA 39 2HB ALA 39 -6.237 5.377 -2.604 299 3HB ALA 39 3HB ALA 39 -5.406 6.055 -4.005 300 H ALA 40 H ALA 40 -7.338 8.218 -4.974 301 HA ALA 40 HA ALA 40 -7.914 9.480 -2.527 302 1HB ALA 40 1HB ALA 40 -6.934 10.334 -4.883 303 2HB ALA 40 2HB ALA 40 -7.555 11.414 -3.636 304 3HB ALA 40 3HB ALA 40 -8.581 10.953 -4.994 305 H HIS 41 H HIS 41 -9.943 8.840 -5.369 306 HA HIS 41 HA HIS 41 -12.289 9.988 -4.258 307 1HB HIS 41 2HB HIS 41 -11.774 8.137 -6.558 308 2HB HIS 41 1HB HIS 41 -13.420 8.521 -6.062 309 HD1 HIS 41 1HD HIS 41 -13.856 11.253 -5.919 310 HD2 HIS 41 2HD HIS 41 -10.765 9.884 -8.331 311 HE1 HIS 41 1HE HIS 41 -13.372 13.137 -7.507 312 HE2 HIS 41 2HE HIS 41 -11.643 12.210 -9.083 313 H ILE 42 H ILE 42 -11.169 6.630 -4.551 314 HA ILE 42 HA ILE 42 -13.413 5.431 -3.361 315 HB ILE 42 HB ILE 42 -10.569 4.420 -3.441 316 1HG1 ILE 42 2HG1 ILE 42 -12.903 3.949 -5.306 317 2HG1 ILE 42 1HG1 ILE 42 -11.476 4.918 -5.664 318 1HG2 ILE 42 1HG2 ILE 42 -11.708 2.175 -3.281 319 2HG2 ILE 42 2HG2 ILE 42 -13.172 3.046 -2.822 320 3HG2 ILE 42 3HG2 ILE 42 -11.730 3.151 -1.811 321 1HD1 ILE 42 1HD1 ILE 42 -10.383 2.519 -4.958 322 2HD1 ILE 42 2HD1 ILE 42 -10.689 3.064 -6.607 323 3HD1 ILE 42 3HD1 ILE 42 -11.864 2.036 -5.785 324 H LYS 43 H LYS 43 -10.332 6.488 -1.918 325 HA LYS 43 HA LYS 43 -10.839 5.491 0.658 326 1HB LYS 43 2HB LYS 43 -9.033 6.886 1.412 327 2HB LYS 43 1HB LYS 43 -8.613 6.237 -0.166 328 1HG LYS 43 2HG LYS 43 -9.276 8.378 -1.191 329 2HG LYS 43 1HG LYS 43 -9.608 9.018 0.417 330 1HD LYS 43 2HD LYS 43 -6.938 8.001 -0.548 331 2HD LYS 43 1HD LYS 43 -7.398 9.698 -0.397 332 1HE LYS 43 2HE LYS 43 -7.235 7.690 1.847 333 2HE LYS 43 1HE LYS 43 -6.073 8.973 1.517 334 1HZ LYS 43 1HZ LYS 43 -7.296 10.182 2.910 335 2HZ LYS 43 2HZ LYS 43 -8.596 9.102 2.872 336 3HZ LYS 43 3HZ LYS 43 -8.448 10.285 1.674 337 H LYS 44 H LYS 44 -11.382 8.739 -0.695 338 HA LYS 44 HA LYS 44 -12.479 9.794 1.703 339 1HB LYS 44 2HB LYS 44 -12.750 10.769 -1.143 340 2HB LYS 44 1HB LYS 44 -13.188 11.689 0.290 341 1HG LYS 44 2HG LYS 44 -10.861 11.656 1.028 342 2HG LYS 44 1HG LYS 44 -10.420 10.723 -0.405 343 1HD LYS 44 2HD LYS 44 -11.170 12.568 -1.832 344 2HD LYS 44 1HD LYS 44 -11.608 13.498 -0.397 345 1HE LYS 44 2HE LYS 44 -8.837 12.543 -1.112 346 2HE LYS 44 1HE LYS 44 -9.437 14.191 -1.288 347 1HZ LYS 44 1HZ LYS 44 -8.388 14.324 0.718 348 2HZ LYS 44 2HZ LYS 44 -8.726 12.724 1.149 349 3HZ LYS 44 3HZ LYS 44 -9.939 13.899 1.244 350 H GLU 45 H GLU 45 -13.973 8.526 -1.261 351 HA GLU 45 HA GLU 45 -16.616 9.144 -0.705 352 1HB GLU 45 2HB GLU 45 -15.888 8.250 -2.857 353 2HB GLU 45 1HB GLU 45 -15.522 6.702 -2.113 354 1HG GLU 45 2HG GLU 45 -17.619 6.606 -3.316 355 2HG GLU 45 1HG GLU 45 -17.883 6.387 -1.587 356 H PHE 46 H PHE 46 -14.888 6.128 0.134 357 HA PHE 46 HA PHE 46 -17.096 5.061 1.579 358 1HB PHE 46 2HB PHE 46 -14.176 4.318 1.485 359 2HB PHE 46 1HB PHE 46 -15.342 3.456 2.486 360 HD1 PHE 46 1HD PHE 46 -15.051 4.647 -1.049 361 HD2 PHE 46 2HD PHE 46 -16.223 1.544 1.610 362 HE1 PHE 46 1HE PHE 46 -15.671 3.245 -2.968 363 HE2 PHE 46 2HE PHE 46 -16.845 0.132 -0.305 364 HZ PHE 46 HZ PHE 46 -16.571 0.983 -2.598 365 H ASP 47 H ASP 47 -14.185 6.816 2.511 366 HA ASP 47 HA ASP 47 -14.422 6.618 5.285 367 1HB ASP 47 2HB ASP 47 -12.416 7.495 4.220 368 2HB ASP 47 1HB ASP 47 -13.318 8.862 3.579 369 H LYS 48 H LYS 48 -15.925 8.777 2.976 370 HA LYS 48 HA LYS 48 -17.139 10.497 4.912 371 1HB LYS 48 2HB LYS 48 -16.546 10.818 2.347 372 2HB LYS 48 1HB LYS 48 -18.194 10.245 2.139 373 1HG LYS 48 2HG LYS 48 -17.297 12.669 3.673 374 2HG LYS 48 1HG LYS 48 -18.193 12.631 2.154 375 1HD LYS 48 2HD LYS 48 -20.102 11.644 3.261 376 2HD LYS 48 1HD LYS 48 -19.198 11.527 4.772 377 1HE LYS 48 2HE LYS 48 -19.022 13.943 4.877 378 2HE LYS 48 1HE LYS 48 -19.886 14.089 3.347 379 1HZ LYS 48 1HZ LYS 48 -21.605 12.630 4.771 380 2HZ LYS 48 2HZ LYS 48 -21.651 14.319 4.697 381 3HZ LYS 48 3HZ LYS 48 -20.906 13.550 6.007 382 H LYS 49 H LYS 49 -18.309 7.855 2.866 383 HA LYS 49 HA LYS 49 -20.994 8.025 3.888 384 1HB LYS 49 2HB LYS 49 -19.703 5.913 2.167 385 2HB LYS 49 1HB LYS 49 -21.425 6.076 2.470 386 1HG LYS 49 2HG LYS 49 -19.678 8.050 1.026 387 2HG LYS 49 1HG LYS 49 -20.843 6.945 0.293 388 1HD LYS 49 2HD LYS 49 -22.627 8.048 1.626 389 2HD LYS 49 1HD LYS 49 -21.427 9.222 2.174 390 1HE LYS 49 2HE LYS 49 -22.638 10.162 0.324 391 2HE LYS 49 1HE LYS 49 -20.990 9.804 -0.190 392 1HZ LYS 49 1HZ LYS 49 -22.640 9.133 -1.840 393 2HZ LYS 49 2HZ LYS 49 -23.347 8.082 -0.720 394 3HZ LYS 49 3HZ LYS 49 -21.768 7.805 -1.258 395 H TYR 50 H TYR 50 -18.705 5.351 3.806 396 HA TYR 50 HA TYR 50 -20.112 3.902 5.814 397 1HB TYR 50 2HB TYR 50 -17.414 3.343 4.579 398 2HB TYR 50 1HB TYR 50 -18.375 2.212 5.531 399 HD1 TYR 50 1HD TYR 50 -18.720 4.383 2.509 400 HD2 TYR 50 2HD TYR 50 -19.710 0.703 4.389 401 HE1 TYR 50 1HE TYR 50 -19.922 3.698 0.489 402 HE2 TYR 50 2HE TYR 50 -20.903 -0.013 2.362 403 HH TYR 50 HH TYR 50 -20.646 1.646 -0.610 404 H ASN 51 H ASN 51 -17.525 6.173 5.889 405 HA ASN 51 HA ASN 51 -16.734 7.257 7.790 406 1HB ASN 51 2HB ASN 51 -18.559 6.155 9.156 407 2HB ASN 51 1HB ASN 51 -17.456 4.808 9.412 408 1HD2 ASN 51 1HD2 ASN 51 -16.298 4.872 11.183 409 2HD2 ASN 51 2HD2 ASN 51 -15.892 6.288 12.085 410 HA PRO 52 HA PRO 52 -12.655 5.757 7.171 411 1HB PRO 52 2HB PRO 52 -11.589 6.738 9.591 412 2HB PRO 52 1HB PRO 52 -11.619 7.575 8.039 413 1HG PRO 52 2HG PRO 52 -13.465 7.817 10.363 414 2HG PRO 52 1HG PRO 52 -12.919 9.062 9.224 415 1HD PRO 52 2HD PRO 52 -15.376 8.032 9.062 416 2HD PRO 52 1HD PRO 52 -14.450 8.417 7.599 417 H THR 53 H THR 53 -11.422 3.246 9.416 418 HA THR 53 HA THR 53 -10.894 5.475 7.576 419 HB THR 53 HB THR 53 -9.586 5.570 9.662 420 HG1 THR 53 1HG THR 53 -8.477 6.468 8.039 421 1HG2 THR 53 1HG2 THR 53 -7.660 3.559 9.149 422 2HG2 THR 53 2HG2 THR 53 -9.245 2.800 9.266 423 3HG2 THR 53 3HG2 THR 53 -8.651 3.806 10.585 424 H TRP 54 H TRP 54 -11.106 4.733 5.591 425 HA TRP 54 HA TRP 54 -10.364 2.026 4.907 426 1HB TRP 54 2HB TRP 54 -11.430 4.240 3.155 427 2HB TRP 54 1HB TRP 54 -11.288 2.540 2.710 428 HD1 TRP 54 HD TRP 54 -13.018 4.556 5.540 429 HE1 TRP 54 1HE TRP 54 -15.300 3.483 5.989 430 HE3 TRP 54 3HE TRP 54 -12.756 0.702 2.198 431 HZ2 TRP 54 2HZ TRP 54 -16.800 1.268 5.049 432 HZ3 TRP 54 3HZ TRP 54 -14.655 -0.855 2.038 433 HH2 TRP 54 HH TRP 54 -16.637 -0.574 3.435 434 H HIS 55 H HIS 55 -8.481 1.419 4.215 435 HA HIS 55 HA HIS 55 -6.556 3.414 3.279 436 1HB HIS 55 2HB HIS 55 -6.032 0.488 3.821 437 2HB HIS 55 1HB HIS 55 -4.861 1.802 3.746 438 HD1 HIS 55 1HD HIS 55 -5.744 3.797 5.696 439 HD2 HIS 55 2HD HIS 55 -6.289 -0.258 6.393 440 HE1 HIS 55 1HE HIS 55 -5.985 3.570 8.187 441 HE2 HIS 55 2HE HIS 55 -6.110 1.090 8.592 442 H CYS 56 H CYS 56 -5.901 3.466 1.151 443 HA CYS 56 HA CYS 56 -6.806 1.241 -0.546 444 1HB CYS 56 2HB CYS 56 -8.401 3.106 -0.746 445 2HB CYS 56 1HB CYS 56 -7.086 4.167 -1.241 446 HG CYS 56 HG CYS 56 -7.034 2.037 -3.213 447 H ILE 57 H ILE 57 -5.520 0.610 -2.139 448 HA ILE 57 HA ILE 57 -3.147 2.191 -2.812 449 HB ILE 57 HB ILE 57 -3.054 -0.765 -2.168 450 1HG1 ILE 57 2HG1 ILE 57 -1.478 0.025 -0.332 451 2HG1 ILE 57 1HG1 ILE 57 -2.085 1.648 -0.634 452 1HG2 ILE 57 1HG2 ILE 57 -1.451 -0.455 -3.805 453 2HG2 ILE 57 2HG2 ILE 57 -0.527 -0.225 -2.322 454 3HG2 ILE 57 3HG2 ILE 57 -1.056 1.171 -3.255 455 1HD1 ILE 57 1HD1 ILE 57 -3.831 1.273 0.663 456 2HD1 ILE 57 2HD1 ILE 57 -3.157 -0.309 1.058 457 3HD1 ILE 57 3HD1 ILE 57 -4.284 -0.143 -0.288 458 H VAL 58 H VAL 58 -2.570 2.036 -4.962 459 HA VAL 58 HA VAL 58 -3.852 -0.005 -6.609 460 HB VAL 58 HB VAL 58 -4.089 2.940 -7.241 461 1HG1 VAL 58 1HG1 VAL 58 -5.044 0.475 -8.687 462 2HG1 VAL 58 2HG1 VAL 58 -3.903 1.689 -9.264 463 3HG1 VAL 58 3HG1 VAL 58 -5.602 2.108 -9.050 464 1HG2 VAL 58 1HG2 VAL 58 -6.113 0.953 -6.230 465 2HG2 VAL 58 2HG2 VAL 58 -6.543 2.506 -6.946 466 3HG2 VAL 58 3HG2 VAL 58 -5.593 2.452 -5.460 467 H GLY 59 H GLY 59 -2.661 -0.646 -8.306 468 1HA GLY 59 2HA GLY 59 -0.803 0.817 -9.755 469 2HA GLY 59 1HA GLY 59 0.080 0.091 -8.418 470 H ARG 60 H ARG 60 1.218 -1.519 -9.284 471 HA ARG 60 HA ARG 60 0.006 -3.914 -10.068 472 1HB ARG 60 2HB ARG 60 0.594 -3.968 -12.479 473 2HB ARG 60 1HB ARG 60 -0.667 -2.806 -12.098 474 1HG ARG 60 2HG ARG 60 1.012 -1.006 -12.143 475 2HG ARG 60 1HG ARG 60 2.238 -2.190 -12.599 476 1HD ARG 60 2HD ARG 60 1.010 -2.703 -14.636 477 2HD ARG 60 1HD ARG 60 -0.264 -1.576 -14.170 478 HE ARG 60 HE ARG 60 2.177 -0.201 -14.224 479 1HH1 ARG 60 1HH1 ARG 60 -0.057 -1.740 -16.418 480 2HH1 ARG 60 2HH1 ARG 60 0.349 -0.711 -17.751 481 1HH2 ARG 60 1HH2 ARG 60 2.713 1.154 -15.975 482 2HH2 ARG 60 2HH2 ARG 60 1.923 0.931 -17.501 483 H ASN 61 H ASN 61 2.122 -3.068 -8.411 484 HA ASN 61 HA ASN 61 4.013 -5.041 -8.788 485 1HB ASN 61 2HB ASN 61 4.721 -3.779 -10.785 486 2HB ASN 61 1HB ASN 61 4.998 -2.360 -9.789 487 1HD2 ASN 61 1HD2 ASN 61 5.854 -5.225 -8.182 488 2HD2 ASN 61 2HD2 ASN 61 7.550 -5.158 -8.477 489 H PHE 62 H PHE 62 3.310 -4.924 -6.519 490 HA PHE 62 HA PHE 62 5.276 -3.674 -4.885 491 1HB PHE 62 2HB PHE 62 3.901 -2.102 -3.680 492 2HB PHE 62 1HB PHE 62 3.809 -1.720 -5.397 493 HD1 PHE 62 1HD PHE 62 1.819 -2.948 -6.652 494 HD2 PHE 62 2HD PHE 62 1.943 -2.126 -2.485 495 HE1 PHE 62 1HE PHE 62 -0.632 -3.114 -6.556 496 HE2 PHE 62 2HE PHE 62 -0.508 -2.286 -2.376 497 HZ PHE 62 HZ PHE 62 -1.800 -2.781 -4.414 498 H GLY 63 H GLY 63 5.468 -4.709 -3.008 499 1HA GLY 63 2HA GLY 63 3.340 -6.626 -2.273 500 2HA GLY 63 1HA GLY 63 5.045 -6.825 -1.881 501 H SER 64 H SER 64 2.426 -6.562 -0.211 502 HA SER 64 HA SER 64 3.687 -4.974 1.844 503 1HB SER 64 2HB SER 64 1.851 -3.339 2.064 504 2HB SER 64 1HB SER 64 2.706 -3.194 0.531 505 HG SER 64 HG SER 64 0.268 -4.594 0.913 506 H TYR 65 H TYR 65 2.422 -4.748 3.802 507 HA TYR 65 HA TYR 65 0.395 -6.824 4.217 508 1HB TYR 65 2HB TYR 65 2.938 -6.415 5.769 509 2HB TYR 65 1HB TYR 65 1.524 -7.132 6.530 510 HD1 TYR 65 1HD TYR 65 3.499 -7.540 3.376 511 HD2 TYR 65 2HD TYR 65 1.434 -9.415 6.587 512 HE1 TYR 65 1HE TYR 65 4.128 -9.741 2.491 513 HE2 TYR 65 2HE TYR 65 2.059 -11.622 5.712 514 HH TYR 65 HH TYR 65 2.710 -12.483 3.182 515 H VAL 66 H VAL 66 -1.100 -6.366 5.863 516 HA VAL 66 HA VAL 66 -0.910 -3.918 7.399 517 HB VAL 66 HB VAL 66 -3.207 -4.202 5.465 518 1HG1 VAL 66 1HG1 VAL 66 -2.310 -2.044 7.341 519 2HG1 VAL 66 2HG1 VAL 66 -3.854 -2.889 7.301 520 3HG1 VAL 66 3HG1 VAL 66 -3.441 -1.739 6.030 521 1HG2 VAL 66 1HG2 VAL 66 -2.174 -2.352 4.179 522 2HG2 VAL 66 2HG2 VAL 66 -1.237 -3.845 4.124 523 3HG2 VAL 66 3HG2 VAL 66 -0.722 -2.517 5.166 524 H THR 67 H THR 67 -2.925 -3.652 8.794 525 HA THR 67 HA THR 67 -4.152 -6.288 9.316 526 HB THR 67 HB THR 67 -3.448 -4.120 11.319 527 HG1 THR 67 1HG THR 67 -1.620 -5.129 11.304 528 1HG2 THR 67 1HG2 THR 67 -5.516 -5.499 11.830 529 2HG2 THR 67 2HG2 THR 67 -4.237 -5.482 13.045 530 3HG2 THR 67 3HG2 THR 67 -4.424 -6.874 11.978 531 H HIS 68 H HIS 68 -6.368 -6.339 9.769 532 HA HIS 68 HA HIS 68 -7.903 -3.918 9.998 533 1HB HIS 68 2HB HIS 68 -9.101 -4.229 7.843 534 2HB HIS 68 1HB HIS 68 -7.393 -3.840 7.628 535 HD1 HIS 68 1HD HIS 68 -9.739 -6.801 7.516 536 HD2 HIS 68 2HD HIS 68 -5.920 -5.726 6.283 537 HE1 HIS 68 1HE HIS 68 -8.915 -8.724 6.131 538 HE2 HIS 68 2HE HIS 68 -6.559 -8.108 5.505 539 H GLU 69 H GLU 69 -9.977 -4.279 10.671 540 HA GLU 69 HA GLU 69 -10.616 -6.751 11.846 541 1HB GLU 69 2HB GLU 69 -12.749 -5.785 12.394 542 2HB GLU 69 1HB GLU 69 -11.519 -4.544 12.580 543 1HG GLU 69 2HG GLU 69 -13.267 -4.834 10.152 544 2HG GLU 69 1HG GLU 69 -13.627 -3.772 11.511 545 H THR 70 H THR 70 -12.182 -8.305 11.314 546 HA THR 70 HA THR 70 -12.282 -9.102 8.638 547 HB THR 70 HB THR 70 -13.967 -10.749 9.381 548 HG1 THR 70 1HG THR 70 -15.221 -9.868 10.861 549 1HG2 THR 70 1HG2 THR 70 -12.243 -10.852 11.723 550 2HG2 THR 70 2HG2 THR 70 -11.367 -10.651 10.204 551 3HG2 THR 70 3HG2 THR 70 -12.463 -12.016 10.416 552 H LYS 71 H LYS 71 -14.054 -9.280 7.180 553 HA LYS 71 HA LYS 71 -15.826 -8.498 5.980 554 1HB LYS 71 2HB LYS 71 -16.819 -7.430 8.628 555 2HB LYS 71 1HB LYS 71 -17.773 -7.628 7.166 556 1HG LYS 71 2HG LYS 71 -16.520 -9.848 8.769 557 2HG LYS 71 1HG LYS 71 -18.223 -9.395 8.776 558 1HD LYS 71 2HD LYS 71 -18.273 -11.132 7.285 559 2HD LYS 71 1HD LYS 71 -17.993 -9.786 6.181 560 1HE LYS 71 2HE LYS 71 -15.591 -10.269 6.207 561 2HE LYS 71 1HE LYS 71 -15.870 -11.600 7.325 562 1HZ LYS 71 1HZ LYS 71 -16.653 -12.919 5.696 563 2HZ LYS 71 2HZ LYS 71 -15.739 -11.908 4.695 564 3HZ LYS 71 3HZ LYS 71 -17.404 -11.656 4.856 565 H HIS 72 H HIS 72 -13.492 -6.980 6.123 566 HA HIS 72 HA HIS 72 -14.437 -4.479 5.133 567 1HB HIS 72 2HB HIS 72 -13.043 -4.554 7.806 568 2HB HIS 72 1HB HIS 72 -13.006 -3.124 6.778 569 HD1 HIS 72 1HD HIS 72 -15.660 -2.470 5.978 570 HD2 HIS 72 2HD HIS 72 -15.041 -4.386 9.612 571 HE1 HIS 72 1HE HIS 72 -17.723 -2.011 7.340 572 HE2 HIS 72 2HE HIS 72 -17.364 -3.259 9.500 573 H PHE 73 H PHE 73 -13.150 -6.226 3.723 574 HA PHE 73 HA PHE 73 -10.635 -4.962 3.118 575 1HB PHE 73 2HB PHE 73 -9.873 -6.535 4.797 576 2HB PHE 73 1HB PHE 73 -10.730 -7.852 4.006 577 HD1 PHE 73 1HD PHE 73 -8.258 -5.228 3.020 578 HD2 PHE 73 2HD PHE 73 -9.398 -9.324 2.883 579 HE1 PHE 73 1HE PHE 73 -6.251 -5.736 1.696 580 HE2 PHE 73 2HE PHE 73 -7.389 -9.842 1.562 581 HZ PHE 73 HZ PHE 73 -5.813 -8.045 0.964 582 H ILE 74 H ILE 74 -10.062 -5.211 0.970 583 HA ILE 74 HA ILE 74 -11.226 -7.294 -0.640 584 HB ILE 74 HB ILE 74 -13.129 -5.773 -0.516 585 1HG1 ILE 74 2HG1 ILE 74 -11.758 -5.694 -3.214 586 2HG1 ILE 74 1HG1 ILE 74 -12.751 -7.013 -2.604 587 1HG2 ILE 74 1HG2 ILE 74 -12.931 -3.513 -1.579 588 2HG2 ILE 74 2HG2 ILE 74 -11.181 -3.728 -1.553 589 3HG2 ILE 74 3HG2 ILE 74 -12.087 -3.691 -0.040 590 1HD1 ILE 74 1HD1 ILE 74 -13.638 -4.233 -3.313 591 2HD1 ILE 74 2HD1 ILE 74 -14.659 -5.412 -2.489 592 3HD1 ILE 74 3HD1 ILE 74 -14.065 -5.742 -4.116 593 H TYR 75 H TYR 75 -10.124 -7.671 -2.446 594 HA TYR 75 HA TYR 75 -8.281 -5.670 -3.517 595 1HB TYR 75 2HB TYR 75 -6.928 -6.976 -1.942 596 2HB TYR 75 1HB TYR 75 -7.455 -8.470 -2.709 597 HD1 TYR 75 1HD TYR 75 -5.981 -5.216 -3.832 598 HD2 TYR 75 2HD TYR 75 -5.874 -9.463 -4.045 599 HE1 TYR 75 1HE TYR 75 -4.081 -5.084 -5.388 600 HE2 TYR 75 2HE TYR 75 -3.974 -9.343 -5.601 601 HH TYR 75 HH TYR 75 -2.184 -7.780 -6.203 602 H PHE 76 H PHE 76 -8.264 -5.713 -5.722 603 HA PHE 76 HA PHE 76 -8.803 -8.101 -7.205 604 1HB PHE 76 2HB PHE 76 -10.921 -7.321 -8.228 605 2HB PHE 76 1HB PHE 76 -11.074 -7.633 -6.502 606 HD1 PHE 76 1HD PHE 76 -10.495 -5.426 -5.032 607 HD2 PHE 76 2HD PHE 76 -11.988 -5.471 -9.015 608 HE1 PHE 76 1HE PHE 76 -11.398 -3.162 -4.714 609 HE2 PHE 76 2HE PHE 76 -12.895 -3.205 -8.704 610 HZ PHE 76 HZ PHE 76 -12.600 -2.048 -6.552 611 H TYR 77 H TYR 77 -8.138 -7.967 -9.275 612 HA TYR 77 HA TYR 77 -6.684 -5.622 -10.072 613 1HB TYR 77 2HB TYR 77 -7.228 -8.220 -11.519 614 2HB TYR 77 1HB TYR 77 -6.151 -6.957 -12.105 615 HD1 TYR 77 1HD TYR 77 -4.398 -6.187 -10.150 616 HD2 TYR 77 2HD TYR 77 -6.189 -10.024 -10.557 617 HE1 TYR 77 1HE TYR 77 -2.537 -7.181 -8.888 618 HE2 TYR 77 2HE TYR 77 -4.334 -11.030 -9.293 619 HH TYR 77 HH TYR 77 -1.979 -9.112 -7.639 620 H LEU 78 H LEU 78 -7.106 -4.230 -11.755 621 HA LEU 78 HA LEU 78 -9.223 -4.547 -13.601 622 1HB LEU 78 2HB LEU 78 -10.581 -4.088 -11.600 623 2HB LEU 78 1HB LEU 78 -9.725 -2.577 -11.371 624 HG LEU 78 HG LEU 78 -10.634 -1.702 -13.452 625 1HD1 LEU 78 1HD1 LEU 78 -11.103 -3.206 -15.035 626 2HD1 LEU 78 2HD1 LEU 78 -12.658 -3.380 -14.219 627 3HD1 LEU 78 3HD1 LEU 78 -11.345 -4.502 -13.862 628 1HD2 LEU 78 1HD2 LEU 78 -12.211 -2.464 -11.161 629 2HD2 LEU 78 2HD2 LEU 78 -13.209 -2.388 -12.615 630 3HD2 LEU 78 3HD2 LEU 78 -12.261 -0.983 -12.118 631 H GLY 79 H GLY 79 -9.140 -3.039 -15.242 632 1HA GLY 79 2HA GLY 79 -8.167 -1.456 -16.590 633 2HA GLY 79 1HA GLY 79 -8.009 -0.493 -15.129 634 H GLN 80 H GLN 80 -6.496 -3.597 -15.873 635 HA GLN 80 HA GLN 80 -4.322 -4.255 -15.905 636 1HB GLN 80 2HB GLN 80 -3.908 -1.486 -17.049 637 2HB GLN 80 1HB GLN 80 -2.743 -2.802 -17.118 638 1HG GLN 80 2HG GLN 80 -4.302 -4.115 -18.464 639 2HG GLN 80 1HG GLN 80 -5.471 -2.796 -18.393 640 1HE2 GLN 80 1HE2 GLN 80 -3.238 -4.205 -20.294 641 2HE2 GLN 80 2HE2 GLN 80 -2.791 -2.862 -21.287 642 H VAL 81 H VAL 81 -5.313 -3.048 -13.482 643 HA VAL 81 HA VAL 81 -2.793 -2.619 -12.160 644 HB VAL 81 HB VAL 81 -3.399 -0.463 -11.129 645 1HG1 VAL 81 1HG1 VAL 81 -3.437 -0.175 -14.124 646 2HG1 VAL 81 2HG1 VAL 81 -1.996 -0.650 -13.224 647 3HG1 VAL 81 3HG1 VAL 81 -2.741 0.921 -12.930 648 1HG2 VAL 81 1HG2 VAL 81 -5.814 -0.583 -11.360 649 2HG2 VAL 81 2HG2 VAL 81 -5.671 -0.471 -13.114 650 3HG2 VAL 81 3HG2 VAL 81 -5.201 0.894 -12.100 651 H ALA 82 H ALA 82 -2.884 -3.410 -10.138 652 HA ALA 82 HA ALA 82 -5.317 -4.582 -9.200 653 1HB ALA 82 1HB ALA 82 -3.064 -4.381 -7.319 654 2HB ALA 82 2HB ALA 82 -2.711 -5.187 -8.847 655 3HB ALA 82 3HB ALA 82 -4.011 -5.782 -7.815 656 H ILE 83 H ILE 83 -6.772 -3.804 -7.801 657 HA ILE 83 HA ILE 83 -6.189 -1.221 -6.521 658 HB ILE 83 HB ILE 83 -8.889 -2.469 -7.060 659 1HG1 ILE 83 2HG1 ILE 83 -9.021 -0.392 -8.619 660 2HG1 ILE 83 1HG1 ILE 83 -7.263 -0.413 -8.531 661 1HG2 ILE 83 1HG2 ILE 83 -9.791 -0.291 -6.408 662 2HG2 ILE 83 2HG2 ILE 83 -8.164 0.268 -6.024 663 3HG2 ILE 83 3HG2 ILE 83 -8.890 -1.039 -5.089 664 1HD1 ILE 83 1HD1 ILE 83 -9.029 -2.631 -9.533 665 2HD1 ILE 83 2HD1 ILE 83 -7.275 -2.710 -9.399 666 3HD1 ILE 83 3HD1 ILE 83 -8.021 -1.563 -10.508 667 H LEU 84 H LEU 84 -6.449 -0.936 -4.351 668 HA LEU 84 HA LEU 84 -7.274 -3.273 -2.765 669 1HB LEU 84 2HB LEU 84 -4.825 -3.127 -2.784 670 2HB LEU 84 1HB LEU 84 -4.913 -1.472 -2.212 671 HG LEU 84 HG LEU 84 -5.907 -2.253 -0.102 672 1HD1 LEU 84 1HD1 LEU 84 -5.431 -4.915 0.082 673 2HD1 LEU 84 2HD1 LEU 84 -5.996 -4.785 -1.584 674 3HD1 LEU 84 3HD1 LEU 84 -7.007 -4.203 -0.262 675 1HD2 LEU 84 1HD2 LEU 84 -3.434 -3.878 -0.561 676 2HD2 LEU 84 2HD2 LEU 84 -3.911 -2.949 0.860 677 3HD2 LEU 84 3HD2 LEU 84 -3.375 -2.116 -0.598 678 H LEU 85 H LEU 85 -8.508 -2.842 -0.985 679 HA LEU 85 HA LEU 85 -8.730 -0.191 0.101 680 1HB LEU 85 2HB LEU 85 -10.160 -0.020 -1.900 681 2HB LEU 85 1HB LEU 85 -11.109 -1.378 -1.325 682 HG LEU 85 HG LEU 85 -11.732 -0.036 0.678 683 1HD1 LEU 85 1HD1 LEU 85 -9.901 1.494 0.800 684 2HD1 LEU 85 2HD1 LEU 85 -11.376 2.423 0.530 685 3HD1 LEU 85 3HD1 LEU 85 -10.259 2.132 -0.805 686 1HD2 LEU 85 1HD2 LEU 85 -12.978 1.764 -0.894 687 2HD2 LEU 85 2HD2 LEU 85 -13.485 0.082 -0.737 688 3HD2 LEU 85 3HD2 LEU 85 -12.488 0.578 -2.103 689 H PHE 86 H PHE 86 -9.420 -0.233 2.172 690 HA PHE 86 HA PHE 86 -11.180 -2.137 3.276 691 1HB PHE 86 2HB PHE 86 -9.588 -3.467 4.605 692 2HB PHE 86 1HB PHE 86 -9.346 -3.696 2.875 693 HD1 PHE 86 1HD PHE 86 -7.553 -2.087 1.797 694 HD2 PHE 86 2HD PHE 86 -7.761 -3.093 5.922 695 HE1 PHE 86 1HE PHE 86 -5.185 -1.486 2.055 696 HE2 PHE 86 2HE PHE 86 -5.394 -2.497 6.189 697 HZ PHE 86 HZ PHE 86 -4.098 -1.692 4.253 698 H LYS 87 H LYS 87 -11.983 -1.279 5.102 699 HA LYS 87 HA LYS 87 -10.781 1.095 6.189 700 1HB LYS 87 2HB LYS 87 -12.732 1.297 7.562 701 2HB LYS 87 1HB LYS 87 -13.243 0.828 5.949 702 1HG LYS 87 2HG LYS 87 -13.806 -1.325 6.614 703 2HG LYS 87 1HG LYS 87 -12.834 -1.226 8.085 704 1HD LYS 87 2HD LYS 87 -15.168 -1.069 8.669 705 2HD LYS 87 1HD LYS 87 -14.392 0.492 8.946 706 1HE LYS 87 2HE LYS 87 -15.273 1.323 6.840 707 2HE LYS 87 1HE LYS 87 -16.017 -0.242 6.516 708 1HZ LYS 87 1HZ LYS 87 -16.683 1.163 9.006 709 2HZ LYS 87 2HZ LYS 87 -17.622 0.094 8.093 710 3HZ LYS 87 3HZ LYS 87 -17.394 1.684 7.563 711 H SER 88 H SER 88 -10.507 1.408 8.534 712 HA SER 88 HA SER 88 -9.796 -1.000 10.017 713 1HB SER 88 2HB SER 88 -7.714 -0.337 8.912 714 2HB SER 88 1HB SER 88 -7.876 1.294 9.561 715 HG SER 88 HG SER 88 -6.461 -0.123 10.774 716 H GLY 89 H GLY 89 -10.330 -0.860 12.115 717 1HA GLY 89 2HA GLY 89 -11.867 1.268 13.092 718 2HA GLY 89 1HA GLY 89 -11.166 -0.009 14.074 719 1H MET 1 1HT MET 1 31.831 2.931 7.338 720 2H MET 1 2HT MET 1 33.384 2.205 7.389 721 3H MET 1 3HT MET 1 32.190 1.765 8.542 722 HA MET 1 HA MET 1 32.493 1.010 5.759 723 1HB MET 1 2HB MET 1 31.566 -0.335 8.304 724 2HB MET 1 1HB MET 1 31.607 -1.130 6.739 725 1HG MET 1 2HG MET 1 33.545 -1.798 7.904 726 2HG MET 1 1HG MET 1 34.063 -0.662 6.662 727 1HE MET 1 1HE MET 1 33.255 -1.153 10.455 728 2HE MET 1 2HE MET 1 32.292 0.273 10.074 729 3HE MET 1 3HE MET 1 33.693 0.413 11.136 730 H CYS 2 H CYS 2 30.836 0.803 4.360 731 HA CYS 2 HA CYS 2 28.452 2.217 4.731 732 1HB CYS 2 2HB CYS 2 29.369 1.719 2.514 733 2HB CYS 2 1HB CYS 2 29.055 0.005 2.757 734 HG CYS 2 HG CYS 2 26.454 0.673 2.776 735 H ASP 3 H ASP 3 26.484 1.696 5.501 736 HA ASP 3 HA ASP 3 25.373 -0.866 5.625 737 1HB ASP 3 2HB ASP 3 27.133 -1.317 7.280 738 2HB ASP 3 1HB ASP 3 26.588 0.054 8.241 739 H ARG 4 H ARG 4 23.244 -0.775 6.163 740 HA ARG 4 HA ARG 4 21.209 0.104 6.673 741 1HB ARG 4 2HB ARG 4 22.573 0.512 8.886 742 2HB ARG 4 1HB ARG 4 22.489 2.198 8.397 743 1HG ARG 4 2HG ARG 4 20.099 0.407 8.780 744 2HG ARG 4 1HG ARG 4 20.722 1.526 9.990 745 1HD ARG 4 2HD ARG 4 19.725 2.293 7.248 746 2HD ARG 4 1HD ARG 4 18.808 2.443 8.745 747 HE ARG 4 HE ARG 4 20.743 4.259 7.769 748 1HH1 ARG 4 1HH1 ARG 4 19.556 2.845 10.735 749 2HH1 ARG 4 2HH1 ARG 4 20.095 4.161 11.722 750 1HH2 ARG 4 1HH2 ARG 4 21.443 5.991 9.067 751 2HH2 ARG 4 2HH2 ARG 4 21.163 5.947 10.776 752 H LYS 5 H LYS 5 22.079 0.887 4.310 753 HA LYS 5 HA LYS 5 22.351 3.673 3.927 754 1HB LYS 5 2HB LYS 5 21.449 1.528 2.006 755 2HB LYS 5 1HB LYS 5 21.876 3.174 1.553 756 1HG LYS 5 2HG LYS 5 24.132 2.689 2.660 757 2HG LYS 5 1HG LYS 5 23.648 0.993 2.580 758 1HD LYS 5 2HD LYS 5 23.786 2.885 0.247 759 2HD LYS 5 1HD LYS 5 25.001 1.671 0.644 760 1HE LYS 5 2HE LYS 5 23.324 -0.092 0.356 761 2HE LYS 5 1HE LYS 5 22.113 1.126 -0.039 762 1HZ LYS 5 1HZ LYS 5 23.075 0.055 -2.010 763 2HZ LYS 5 2HZ LYS 5 24.600 0.654 -1.591 764 3HZ LYS 5 3HZ LYS 5 23.354 1.724 -1.992 765 H ALA 6 H ALA 6 19.929 2.870 1.791 766 HA ALA 6 HA ALA 6 17.735 3.394 1.576 767 1HB ALA 6 1HB ALA 6 17.021 3.726 4.363 768 2HB ALA 6 2HB ALA 6 17.920 2.235 4.084 769 3HB ALA 6 3HB ALA 6 16.441 2.555 3.181 770 H VAL 7 H VAL 7 16.896 5.293 1.009 771 HA VAL 7 HA VAL 7 17.843 7.696 2.372 772 HB VAL 7 HB VAL 7 16.980 8.876 0.380 773 1HG1 VAL 7 1HG1 VAL 7 19.343 7.637 0.719 774 2HG1 VAL 7 2HG1 VAL 7 18.957 8.627 -0.691 775 3HG1 VAL 7 3HG1 VAL 7 18.804 6.872 -0.775 776 1HG2 VAL 7 1HG2 VAL 7 15.308 7.155 -0.249 777 2HG2 VAL 7 2HG2 VAL 7 16.634 6.124 -0.790 778 3HG2 VAL 7 3HG2 VAL 7 16.330 7.665 -1.593 779 H ILE 8 H ILE 8 16.502 9.121 3.306 780 HA ILE 8 HA ILE 8 13.784 8.265 3.838 781 HB ILE 8 HB ILE 8 15.399 10.575 4.921 782 1HG1 ILE 8 2HG1 ILE 8 15.282 9.276 7.031 783 2HG1 ILE 8 1HG1 ILE 8 14.440 7.990 6.171 784 1HG2 ILE 8 1HG2 ILE 8 13.547 10.868 6.543 785 2HG2 ILE 8 2HG2 ILE 8 12.585 9.730 5.600 786 3HG2 ILE 8 3HG2 ILE 8 13.092 11.259 4.885 787 1HD1 ILE 8 1HD1 ILE 8 16.933 7.712 6.590 788 2HD1 ILE 8 2HD1 ILE 8 17.158 8.925 5.330 789 3HD1 ILE 8 3HD1 ILE 8 16.343 7.407 4.958 790 H LYS 9 H LYS 9 11.928 9.518 3.471 791 HA LYS 9 HA LYS 9 12.191 11.814 1.678 792 1HB LYS 9 2HB LYS 9 10.534 9.357 1.092 793 2HB LYS 9 1HB LYS 9 10.352 10.885 0.241 794 1HG LYS 9 2HG LYS 9 12.859 9.217 0.324 795 2HG LYS 9 1HG LYS 9 11.712 9.292 -1.016 796 1HD LYS 9 2HD LYS 9 12.166 11.689 -1.262 797 2HD LYS 9 1HD LYS 9 13.324 11.602 0.067 798 1HE LYS 9 2HE LYS 9 13.518 10.114 -2.549 799 2HE LYS 9 1HE LYS 9 14.443 11.550 -2.109 800 1HZ LYS 9 1HZ LYS 9 15.742 9.554 -1.778 801 2HZ LYS 9 2HZ LYS 9 14.565 8.915 -0.744 802 3HZ LYS 9 3HZ LYS 9 15.433 10.292 -0.286 803 H ASN 10 H ASN 10 10.057 9.814 3.683 804 HA ASN 10 HA ASN 10 8.578 12.261 4.368 805 1HB ASN 10 2HB ASN 10 7.352 9.543 3.852 806 2HB ASN 10 1HB ASN 10 6.483 10.956 4.442 807 1HD2 ASN 10 1HD2 ASN 10 7.060 9.181 1.787 808 2HD2 ASN 10 2HD2 ASN 10 6.819 10.375 0.561 809 H ALA 11 H ALA 11 10.621 11.502 5.917 810 HA ALA 11 HA ALA 11 10.143 9.618 7.923 811 1HB ALA 11 1HB ALA 11 12.301 10.288 8.033 812 2HB ALA 11 2HB ALA 11 11.652 11.390 9.249 813 3HB ALA 11 3HB ALA 11 11.921 11.955 7.600 814 H ASP 12 H ASP 12 9.199 9.699 9.930 815 HA ASP 12 HA ASP 12 8.176 12.073 11.106 816 1HB ASP 12 2HB ASP 12 6.535 11.738 9.239 817 2HB ASP 12 1HB ASP 12 6.097 10.195 9.964 818 H MET 13 H MET 13 9.766 10.504 12.348 819 HA MET 13 HA MET 13 8.335 9.505 14.562 820 1HB MET 13 2HB MET 13 9.050 7.103 14.345 821 2HB MET 13 1HB MET 13 7.775 7.603 13.244 822 1HG MET 13 2HG MET 13 9.295 7.711 11.417 823 2HG MET 13 1HG MET 13 10.678 7.488 12.484 824 1HE MET 13 1HE MET 13 7.271 6.167 11.973 825 2HE MET 13 2HE MET 13 7.434 4.690 12.923 826 3HE MET 13 3HE MET 13 7.498 4.618 11.162 827 H SER 14 H SER 14 9.675 8.907 16.293 828 HA SER 14 HA SER 14 11.964 10.269 16.725 829 1HB SER 14 2HB SER 14 10.800 9.046 18.490 830 2HB SER 14 1HB SER 14 11.345 7.513 17.808 831 HG SER 14 HG SER 14 13.144 9.533 18.633 832 H GLU 15 H GLU 15 14.157 9.987 16.555 833 HA GLU 15 HA GLU 15 15.235 8.915 14.277 834 1HB GLU 15 2HB GLU 15 16.618 9.288 16.933 835 2HB GLU 15 1HB GLU 15 17.427 9.108 15.383 836 1HG GLU 15 2HG GLU 15 16.391 11.173 14.597 837 2HG GLU 15 1HG GLU 15 15.576 11.353 16.150 838 H GLU 16 H GLU 16 15.147 7.362 17.463 839 HA GLU 16 HA GLU 16 16.525 5.048 16.633 840 1HB GLU 16 2HB GLU 16 15.656 4.015 18.707 841 2HB GLU 16 1HB GLU 16 16.389 5.586 18.979 842 1HG GLU 16 2HG GLU 16 14.455 5.516 20.309 843 2HG GLU 16 1HG GLU 16 14.070 6.553 18.939 844 H MET 17 H MET 17 13.139 5.943 16.496 845 HA MET 17 HA MET 17 12.198 3.320 15.894 846 1HB MET 17 2HB MET 17 10.775 5.204 16.786 847 2HB MET 17 1HB MET 17 10.856 5.931 15.188 848 1HG MET 17 2HG MET 17 9.772 3.966 14.236 849 2HG MET 17 1HG MET 17 9.705 3.227 15.833 850 1HE MET 17 1HE MET 17 8.590 4.294 17.834 851 2HE MET 17 2HE MET 17 7.196 5.371 17.768 852 3HE MET 17 3HE MET 17 8.825 6.029 17.621 853 H GLN 18 H GLN 18 12.906 6.181 13.923 854 HA GLN 18 HA GLN 18 12.334 4.955 11.439 855 1HB GLN 18 2HB GLN 18 13.650 6.845 10.469 856 2HB GLN 18 1HB GLN 18 12.365 7.346 11.557 857 1HG GLN 18 2HG GLN 18 14.061 7.593 13.351 858 2HG GLN 18 1HG GLN 18 15.308 7.232 12.159 859 1HE2 GLN 18 1HE2 GLN 18 13.546 9.634 13.637 860 2HE2 GLN 18 2HE2 GLN 18 13.888 10.928 12.549 861 H GLN 19 H GLN 19 15.287 5.312 13.325 862 HA GLN 19 HA GLN 19 17.030 4.218 11.388 863 1HB GLN 19 2HB GLN 19 17.202 4.651 14.350 864 2HB GLN 19 1HB GLN 19 18.466 3.760 13.509 865 1HG GLN 19 2HG GLN 19 18.812 5.704 12.038 866 2HG GLN 19 1HG GLN 19 17.590 6.587 12.955 867 1HE2 GLN 19 1HE2 GLN 19 18.484 7.997 14.257 868 2HE2 GLN 19 2HE2 GLN 19 19.931 7.777 15.172 869 H ASP 20 H ASP 20 15.109 2.799 13.975 870 HA ASP 20 HA ASP 20 16.208 0.184 13.736 871 1HB ASP 20 2HB ASP 20 15.038 0.915 15.774 872 2HB ASP 20 1HB ASP 20 13.539 1.069 14.863 873 H SER 21 H SER 21 13.475 1.845 12.281 874 HA SER 21 HA SER 21 12.392 -0.445 10.997 875 1HB SER 21 2HB SER 21 11.031 1.557 11.341 876 2HB SER 21 1HB SER 21 12.115 2.495 10.313 877 HG SER 21 HG SER 21 10.824 0.180 9.347 878 H VAL 22 H VAL 22 14.609 2.116 9.968 879 HA VAL 22 HA VAL 22 14.924 1.196 7.314 880 HB VAL 22 HB VAL 22 16.881 2.800 8.965 881 1HG1 VAL 22 1HG1 VAL 22 17.782 3.553 6.851 882 2HG1 VAL 22 2HG1 VAL 22 16.589 2.600 5.970 883 3HG1 VAL 22 3HG1 VAL 22 17.833 1.791 6.923 884 1HG2 VAL 22 1HG2 VAL 22 14.341 3.546 8.397 885 2HG2 VAL 22 2HG2 VAL 22 15.191 4.153 6.976 886 3HG2 VAL 22 3HG2 VAL 22 15.686 4.671 8.588 887 H GLU 23 H GLU 23 16.767 0.654 10.283 888 HA GLU 23 HA GLU 23 18.755 -0.975 9.101 889 1HB GLU 23 2HB GLU 23 19.095 0.135 11.256 890 2HB GLU 23 1HB GLU 23 17.800 -0.819 11.965 891 1HG GLU 23 2HG GLU 23 19.090 -2.851 11.591 892 2HG GLU 23 1HG GLU 23 20.388 -1.897 10.879 893 H CYS 24 H CYS 24 15.708 -1.634 10.737 894 HA CYS 24 HA CYS 24 15.912 -4.448 10.732 895 1HB CYS 24 2HB CYS 24 14.318 -3.188 12.146 896 2HB CYS 24 1HB CYS 24 13.410 -2.746 10.705 897 HG CYS 24 HG CYS 24 13.555 -5.632 11.847 898 H ALA 25 H ALA 25 14.848 -2.134 8.327 899 HA ALA 25 HA ALA 25 13.560 -3.987 6.607 900 1HB ALA 25 1HB ALA 25 14.074 -2.104 4.887 901 2HB ALA 25 2HB ALA 25 14.587 -1.192 6.308 902 3HB ALA 25 3HB ALA 25 12.932 -1.796 6.196 903 H THR 26 H THR 26 16.815 -2.681 6.895 904 HA THR 26 HA THR 26 17.900 -3.761 4.569 905 HB THR 26 HB THR 26 19.255 -3.221 7.216 906 HG1 THR 26 1HG THR 26 18.175 -1.442 6.063 907 1HG2 THR 26 1HG2 THR 26 21.086 -2.728 5.231 908 2HG2 THR 26 2HG2 THR 26 20.318 -4.229 4.713 909 3HG2 THR 26 3HG2 THR 26 21.065 -4.126 6.306 910 H GLN 27 H GLN 27 17.698 -5.057 7.843 911 HA GLN 27 HA GLN 27 19.060 -7.463 7.417 912 1HB GLN 27 2HB GLN 27 16.770 -6.886 9.307 913 2HB GLN 27 1HB GLN 27 17.827 -8.286 9.400 914 1HG GLN 27 2HG GLN 27 19.737 -6.824 9.804 915 2HG GLN 27 1HG GLN 27 18.685 -5.417 9.697 916 1HE2 GLN 27 1HE2 GLN 27 16.884 -7.762 11.151 917 2HE2 GLN 27 2HE2 GLN 27 17.215 -7.391 12.803 918 H ALA 28 H ALA 28 15.670 -6.588 7.010 919 HA ALA 28 HA ALA 28 14.598 -9.087 6.431 920 1HB ALA 28 1HB ALA 28 13.534 -6.683 6.695 921 2HB ALA 28 2HB ALA 28 12.711 -7.964 5.802 922 3HB ALA 28 3HB ALA 28 13.613 -6.720 4.936 923 H LEU 29 H LEU 29 16.201 -6.746 4.311 924 HA LEU 29 HA LEU 29 15.690 -8.078 1.892 925 1HB LEU 29 2HB LEU 29 17.813 -6.134 2.733 926 2HB LEU 29 1HB LEU 29 17.773 -6.805 1.114 927 HG LEU 29 HG LEU 29 15.434 -5.348 2.312 928 1HD1 LEU 29 1HD1 LEU 29 16.213 -3.326 1.597 929 2HD1 LEU 29 2HD1 LEU 29 17.214 -4.035 0.329 930 3HD1 LEU 29 3HD1 LEU 29 17.750 -4.087 2.009 931 1HD2 LEU 29 1HD2 LEU 29 16.082 -5.589 -0.592 932 2HD2 LEU 29 2HD2 LEU 29 14.519 -5.371 0.196 933 3HD2 LEU 29 3HD2 LEU 29 15.323 -6.940 0.252 934 H GLU 30 H GLU 30 18.517 -8.170 4.022 935 HA GLU 30 HA GLU 30 19.919 -10.081 2.457 936 1HB GLU 30 2HB GLU 30 21.400 -10.291 4.415 937 2HB GLU 30 1HB GLU 30 21.106 -8.612 3.981 938 1HG GLU 30 2HG GLU 30 19.462 -8.435 5.777 939 2HG GLU 30 1HG GLU 30 19.760 -10.118 6.213 940 H LYS 31 H LYS 31 17.566 -10.328 5.023 941 HA LYS 31 HA LYS 31 18.041 -13.157 5.394 942 1HB LYS 31 2HB LYS 31 16.037 -11.275 6.630 943 2HB LYS 31 1HB LYS 31 16.164 -12.981 7.034 944 1HG LYS 31 2HG LYS 31 18.453 -12.629 7.811 945 2HG LYS 31 1HG LYS 31 18.325 -10.916 7.400 946 1HD LYS 31 2HD LYS 31 16.564 -10.617 9.028 947 2HD LYS 31 1HD LYS 31 16.547 -12.346 9.375 948 1HE LYS 31 2HE LYS 31 17.758 -11.104 11.097 949 2HE LYS 31 1HE LYS 31 18.823 -12.211 10.234 950 1HZ LYS 31 1HZ LYS 31 18.940 -9.807 8.871 951 2HZ LYS 31 2HZ LYS 31 20.139 -10.488 9.849 952 3HZ LYS 31 3HZ LYS 31 19.025 -9.402 10.511 953 H TYR 32 H TYR 32 15.698 -11.099 3.764 954 HA TYR 32 HA TYR 32 14.384 -13.559 2.814 955 1HB TYR 32 2HB TYR 32 13.043 -10.900 3.319 956 2HB TYR 32 1HB TYR 32 12.258 -12.360 2.728 957 HD1 TYR 32 1HD TYR 32 14.378 -11.271 5.609 958 HD2 TYR 32 2HD TYR 32 11.108 -13.636 4.269 959 HE1 TYR 32 1HE TYR 32 13.933 -11.959 7.928 960 HE2 TYR 32 2HE TYR 32 10.651 -14.328 6.584 961 HH TYR 32 HH TYR 32 12.843 -13.728 9.147 962 H ASN 33 H ASN 33 15.344 -10.271 2.014 963 HA ASN 33 HA ASN 33 15.612 -9.165 0.054 964 1HB ASN 33 2HB ASN 33 16.635 -10.405 -1.792 965 2HB ASN 33 1HB ASN 33 17.372 -10.847 -0.259 966 1HD2 ASN 33 1HD2 ASN 33 17.761 -12.913 -0.056 967 2HD2 ASN 33 2HD2 ASN 33 16.858 -14.203 -0.769 968 H ILE 34 H ILE 34 12.997 -9.578 0.639 969 HA ILE 34 HA ILE 34 11.814 -9.575 -2.014 970 HB ILE 34 HB ILE 34 10.824 -11.439 0.151 971 1HG1 ILE 34 2HG1 ILE 34 12.752 -12.295 -1.126 972 2HG1 ILE 34 1HG1 ILE 34 11.291 -13.219 -1.451 973 1HG2 ILE 34 1HG2 ILE 34 8.814 -11.462 -0.803 974 2HG2 ILE 34 2HG2 ILE 34 9.516 -11.740 -2.396 975 3HG2 ILE 34 3HG2 ILE 34 9.323 -10.095 -1.794 976 1HD1 ILE 34 1HD1 ILE 34 11.414 -12.780 -3.617 977 2HD1 ILE 34 2HD1 ILE 34 13.010 -12.094 -3.310 978 3HD1 ILE 34 3HD1 ILE 34 11.589 -11.049 -3.324 979 H GLU 35 H GLU 35 10.535 -7.870 -2.139 980 HA GLU 35 HA GLU 35 10.035 -6.056 -0.145 981 1HB GLU 35 2HB GLU 35 8.239 -5.175 -1.616 982 2HB GLU 35 1HB GLU 35 9.743 -5.496 -2.469 983 1HG GLU 35 2HG GLU 35 8.807 -7.632 -3.262 984 2HG GLU 35 1HG GLU 35 7.286 -7.233 -2.465 985 H LYS 36 H LYS 36 7.896 -8.690 -1.196 986 HA LYS 36 HA LYS 36 5.769 -8.023 0.545 987 1HB LYS 36 2HB LYS 36 5.542 -9.409 -1.488 988 2HB LYS 36 1HB LYS 36 6.430 -10.696 -0.693 989 1HG LYS 36 2HG LYS 36 3.950 -9.613 0.564 990 2HG LYS 36 1HG LYS 36 3.831 -10.746 -0.780 991 1HD LYS 36 2HD LYS 36 5.264 -11.223 1.834 992 2HD LYS 36 1HD LYS 36 3.714 -11.910 1.351 993 1HE LYS 36 2HE LYS 36 4.844 -13.021 -0.548 994 2HE LYS 36 1HE LYS 36 6.385 -12.403 0.039 995 1HZ LYS 36 1HZ LYS 36 6.302 -13.747 1.912 996 2HZ LYS 36 2HZ LYS 36 5.718 -14.759 0.689 997 3HZ LYS 36 3HZ LYS 36 4.641 -14.034 1.773 998 H ASP 37 H ASP 37 8.344 -10.472 0.817 999 HA ASP 37 HA ASP 37 7.526 -11.462 3.326 1000 1HB ASP 37 2HB ASP 37 10.271 -11.477 2.056 1001 2HB ASP 37 1HB ASP 37 9.794 -12.443 3.449 1002 H ILE 38 H ILE 38 9.892 -8.984 2.435 1003 HA ILE 38 HA ILE 38 10.994 -8.464 4.919 1004 HB ILE 38 HB ILE 38 10.458 -6.609 2.606 1005 1HG1 ILE 38 2HG1 ILE 38 12.971 -7.982 3.577 1006 2HG1 ILE 38 1HG1 ILE 38 12.013 -8.473 2.192 1007 1HG2 ILE 38 1HG2 ILE 38 12.495 -5.424 3.936 1008 2HG2 ILE 38 2HG2 ILE 38 11.522 -6.025 5.278 1009 3HG2 ILE 38 3HG2 ILE 38 10.802 -4.950 4.080 1010 1HD1 ILE 38 1HD1 ILE 38 12.859 -5.689 2.092 1011 2HD1 ILE 38 2HD1 ILE 38 12.953 -6.952 0.865 1012 3HD1 ILE 38 3HD1 ILE 38 14.189 -6.845 2.118 1013 H ALA 39 H ALA 39 8.233 -6.770 3.425 1014 HA ALA 39 HA ALA 39 7.662 -5.132 5.627 1015 1HB ALA 39 1HB ALA 39 6.615 -4.328 3.786 1016 2HB ALA 39 2HB ALA 39 5.268 -5.246 4.462 1017 3HB ALA 39 3HB ALA 39 6.239 -5.933 3.161 1018 H ALA 40 H ALA 40 6.831 -8.449 4.972 1019 HA ALA 40 HA ALA 40 4.623 -8.655 6.727 1020 1HB ALA 40 1HB ALA 40 4.638 -10.908 6.272 1021 2HB ALA 40 2HB ALA 40 6.397 -10.986 6.170 1022 3HB ALA 40 3HB ALA 40 5.470 -10.257 4.859 1023 H HIS 41 H HIS 41 7.942 -9.893 7.175 1024 HA HIS 41 HA HIS 41 7.624 -10.572 9.866 1025 1HB HIS 41 2HB HIS 41 9.778 -11.267 9.745 1026 2HB HIS 41 1HB HIS 41 9.568 -10.972 8.024 1027 HD1 HIS 41 1HD HIS 41 10.837 -9.138 11.096 1028 HD2 HIS 41 2HD HIS 41 11.395 -9.245 6.980 1029 HE1 HIS 41 1HE HIS 41 12.755 -7.584 10.641 1030 HE2 HIS 41 2HE HIS 41 13.198 -7.822 8.178 1031 H ILE 42 H ILE 42 9.036 -7.638 8.425 1032 HA ILE 42 HA ILE 42 9.723 -6.352 10.799 1033 HB ILE 42 HB ILE 42 8.853 -5.082 8.196 1034 1HG1 ILE 42 2HG1 ILE 42 11.600 -5.771 9.243 1035 2HG1 ILE 42 1HG1 ILE 42 10.745 -6.637 7.972 1036 1HG2 ILE 42 1HG2 ILE 42 10.164 -3.968 10.652 1037 2HG2 ILE 42 2HG2 ILE 42 8.756 -3.363 9.779 1038 3HG2 ILE 42 3HG2 ILE 42 10.364 -3.213 9.071 1039 1HD1 ILE 42 1HD1 ILE 42 12.231 -5.253 6.848 1040 2HD1 ILE 42 2HD1 ILE 42 11.905 -3.883 7.908 1041 3HD1 ILE 42 3HD1 ILE 42 10.689 -4.407 6.742 1042 H LYS 43 H LYS 43 6.651 -6.453 9.068 1043 HA LYS 43 HA LYS 43 5.289 -4.464 10.484 1044 1HB LYS 43 2HB LYS 43 4.395 -5.521 8.447 1045 2HB LYS 43 1HB LYS 43 4.183 -7.030 9.321 1046 1HG LYS 43 2HG LYS 43 2.597 -5.876 10.834 1047 2HG LYS 43 1HG LYS 43 2.749 -4.434 9.829 1048 1HD LYS 43 2HD LYS 43 0.761 -5.660 9.199 1049 2HD LYS 43 1HD LYS 43 1.944 -5.736 7.891 1050 1HE LYS 43 2HE LYS 43 0.888 -7.908 8.265 1051 2HE LYS 43 1HE LYS 43 2.615 -7.967 8.613 1052 1HZ LYS 43 1HZ LYS 43 0.881 -7.353 10.863 1053 2HZ LYS 43 2HZ LYS 43 2.251 -8.341 10.790 1054 3HZ LYS 43 3HZ LYS 43 0.759 -8.926 10.250 1055 H LYS 44 H LYS 44 5.478 -7.965 11.079 1056 HA LYS 44 HA LYS 44 3.901 -7.948 13.415 1057 1HB LYS 44 2HB LYS 44 6.060 -9.900 12.599 1058 2HB LYS 44 1HB LYS 44 4.838 -10.184 13.831 1059 1HG LYS 44 2HG LYS 44 3.086 -10.042 12.144 1060 2HG LYS 44 1HG LYS 44 4.300 -9.721 10.904 1061 1HD LYS 44 2HD LYS 44 5.318 -11.908 11.346 1062 2HD LYS 44 1HD LYS 44 4.094 -12.225 12.577 1063 1HE LYS 44 2HE LYS 44 3.534 -13.329 10.476 1064 2HE LYS 44 1HE LYS 44 2.345 -12.091 10.880 1065 1HZ LYS 44 1HZ LYS 44 3.091 -12.136 8.507 1066 2HZ LYS 44 2HZ LYS 44 4.610 -11.608 9.030 1067 3HZ LYS 44 3HZ LYS 44 3.250 -10.636 9.274 1068 H GLU 45 H GLU 45 7.426 -7.772 12.989 1069 HA GLU 45 HA GLU 45 8.183 -7.940 15.652 1070 1HB GLU 45 2HB GLU 45 9.436 -6.313 13.433 1071 2HB GLU 45 1HB GLU 45 10.204 -6.645 14.980 1072 1HG GLU 45 2HG GLU 45 9.364 -8.726 12.975 1073 2HG GLU 45 1HG GLU 45 11.001 -8.115 13.188 1074 H PHE 46 H PHE 46 7.482 -4.966 13.793 1075 HA PHE 46 HA PHE 46 7.726 -3.301 16.100 1076 1HB PHE 46 2HB PHE 46 6.620 -2.806 13.341 1077 2HB PHE 46 1HB PHE 46 6.622 -1.572 14.595 1078 HD1 PHE 46 1HD PHE 46 9.020 -4.004 13.067 1079 HD2 PHE 46 2HD PHE 46 8.347 -0.079 14.564 1080 HE1 PHE 46 1HE PHE 46 11.320 -3.379 12.461 1081 HE2 PHE 46 2HE PHE 46 10.643 0.554 13.957 1082 HZ PHE 46 HZ PHE 46 12.137 -1.096 12.904 1083 H ASP 47 H ASP 47 5.017 -4.731 14.356 1084 HA ASP 47 HA ASP 47 2.917 -3.474 15.681 1085 1HB ASP 47 2HB ASP 47 2.533 -4.788 13.689 1086 2HB ASP 47 1HB ASP 47 3.107 -6.246 14.491 1087 H LYS 48 H LYS 48 4.856 -6.256 16.578 1088 HA LYS 48 HA LYS 48 3.277 -6.760 18.951 1089 1HB LYS 48 2HB LYS 48 4.070 -8.685 17.762 1090 2HB LYS 48 1HB LYS 48 5.721 -8.081 17.774 1091 1HG LYS 48 2HG LYS 48 5.433 -9.872 19.377 1092 2HG LYS 48 1HG LYS 48 5.811 -8.351 20.191 1093 1HD LYS 48 2HD LYS 48 4.043 -9.535 21.376 1094 2HD LYS 48 1HD LYS 48 3.429 -8.032 20.683 1095 1HE LYS 48 2HE LYS 48 1.852 -9.863 20.350 1096 2HE LYS 48 1HE LYS 48 2.479 -9.275 18.811 1097 1HZ LYS 48 1HZ LYS 48 2.410 -11.696 18.903 1098 2HZ LYS 48 2HZ LYS 48 3.440 -11.694 20.243 1099 3HZ LYS 48 3HZ LYS 48 4.000 -11.140 18.746 1100 H LYS 49 H LYS 49 6.473 -5.540 18.106 1101 HA LYS 49 HA LYS 49 7.386 -5.332 20.795 1102 1HB LYS 49 2HB LYS 49 8.893 -5.596 18.862 1103 2HB LYS 49 1HB LYS 49 8.442 -3.989 18.310 1104 1HG LYS 49 2HG LYS 49 10.579 -3.948 19.447 1105 2HG LYS 49 1HG LYS 49 9.375 -3.025 20.345 1106 1HD LYS 49 2HD LYS 49 9.044 -4.928 21.851 1107 2HD LYS 49 1HD LYS 49 10.259 -5.844 20.957 1108 1HE LYS 49 2HE LYS 49 11.948 -4.176 21.549 1109 2HE LYS 49 1HE LYS 49 10.733 -3.255 22.433 1110 1HZ LYS 49 1HZ LYS 49 12.312 -4.986 23.615 1111 2HZ LYS 49 2HZ LYS 49 11.084 -6.059 23.166 1112 3HZ LYS 49 3HZ LYS 49 10.724 -4.723 24.140 1113 H TYR 50 H TYR 50 6.947 -2.688 18.466 1114 HA TYR 50 HA TYR 50 6.708 -0.772 20.577 1115 1HB TYR 50 2HB TYR 50 6.356 -0.488 17.593 1116 2HB TYR 50 1HB TYR 50 6.347 0.857 18.728 1117 HD1 TYR 50 1HD TYR 50 8.225 1.288 16.776 1118 HD2 TYR 50 2HD TYR 50 8.614 -1.351 20.088 1119 HE1 TYR 50 1HE TYR 50 10.672 1.442 16.605 1120 HE2 TYR 50 2HE TYR 50 11.058 -1.208 19.926 1121 HH TYR 50 HH TYR 50 12.734 -0.613 17.815 1122 H ASN 51 H ASN 51 4.501 -2.877 19.280 1123 HA ASN 51 HA ASN 51 2.311 -3.141 19.988 1124 1HB ASN 51 2HB ASN 51 2.187 -0.147 20.408 1125 2HB ASN 51 1HB ASN 51 0.969 -1.325 20.871 1126 1HD2 ASN 51 1HD2 ASN 51 3.340 0.548 22.046 1127 2HD2 ASN 51 2HD2 ASN 51 3.789 -0.366 23.443 1128 HA PRO 52 HA PRO 52 0.738 -2.582 15.934 1129 1HB PRO 52 2HB PRO 52 -1.975 -2.999 16.991 1130 2HB PRO 52 1HB PRO 52 -1.048 -3.990 15.866 1131 1HG PRO 52 2HG PRO 52 -1.546 -4.754 18.409 1132 2HG PRO 52 1HG PRO 52 -0.072 -5.214 17.543 1133 1HD PRO 52 2HD PRO 52 -0.472 -3.125 19.635 1134 2HD PRO 52 1HD PRO 52 0.909 -4.207 19.365 1135 H THR 53 H THR 53 -1.401 0.227 15.297 1136 HA THR 53 HA THR 53 -0.450 -2.456 14.562 1137 HB THR 53 HB THR 53 -2.913 -2.201 14.520 1138 HG1 THR 53 1HG THR 53 -1.619 -2.525 12.021 1139 1HG2 THR 53 1HG2 THR 53 -2.566 -0.334 12.204 1140 2HG2 THR 53 2HG2 THR 53 -2.867 0.235 13.847 1141 3HG2 THR 53 3HG2 THR 53 -4.051 -0.794 13.038 1142 H TRP 54 H TRP 54 1.297 -2.366 13.348 1143 HA TRP 54 HA TRP 54 1.942 0.031 11.862 1144 1HB TRP 54 2HB TRP 54 3.489 -2.529 12.251 1145 2HB TRP 54 1HB TRP 54 4.099 -1.083 11.447 1146 HD1 TRP 54 HD TRP 54 2.441 -1.815 14.874 1147 HE1 TRP 54 1HE TRP 54 3.721 -0.495 16.663 1148 HE3 TRP 54 3HE TRP 54 5.851 0.504 11.860 1149 HZ2 TRP 54 2HZ TRP 54 5.892 1.310 16.784 1150 HZ3 TRP 54 3HZ TRP 54 7.492 2.026 12.891 1151 HH2 TRP 54 HH TRP 54 7.507 2.420 15.301 1152 H HIS 55 H HIS 55 1.925 0.306 9.748 1153 HA HIS 55 HA HIS 55 0.969 -1.919 8.085 1154 1HB HIS 55 2HB HIS 55 0.996 1.005 7.336 1155 2HB HIS 55 1HB HIS 55 0.051 -0.293 6.611 1156 HD1 HIS 55 1HD HIS 55 -1.489 -1.505 8.775 1157 HD2 HIS 55 2HD HIS 55 -0.641 2.558 8.790 1158 HE1 HIS 55 1HE HIS 55 -3.244 -0.465 10.241 1159 HE2 HIS 55 2HE HIS 55 -2.772 2.010 10.157 1160 H CYS 56 H CYS 56 2.312 -2.763 6.594 1161 HA CYS 56 HA CYS 56 4.782 -1.270 5.997 1162 1HB CYS 56 2HB CYS 56 4.398 -4.255 6.261 1163 2HB CYS 56 1HB CYS 56 5.878 -3.487 5.697 1164 HG CYS 56 HG CYS 56 5.114 -2.499 8.448 1165 H ILE 57 H ILE 57 5.340 -0.961 3.953 1166 HA ILE 57 HA ILE 57 4.069 -2.517 1.829 1167 HB ILE 57 HB ILE 57 4.134 0.507 1.799 1168 1HG1 ILE 57 2HG1 ILE 57 1.599 0.230 1.742 1169 2HG1 ILE 57 1HG1 ILE 57 1.867 -1.427 2.270 1170 1HG2 ILE 57 1HG2 ILE 57 3.290 -1.562 -0.189 1171 2HG2 ILE 57 2HG2 ILE 57 4.354 -0.176 -0.407 1172 3HG2 ILE 57 3HG2 ILE 57 2.616 0.065 -0.227 1173 1HD1 ILE 57 1HD1 ILE 57 1.981 -0.753 4.367 1174 2HD1 ILE 57 2HD1 ILE 57 1.662 0.897 3.838 1175 3HD1 ILE 57 3HD1 ILE 57 3.322 0.320 3.977 1176 H VAL 58 H VAL 58 5.397 -2.830 0.065 1177 HA VAL 58 HA VAL 58 7.767 -1.212 -0.284 1178 HB VAL 58 HB VAL 58 8.070 -4.158 0.312 1179 1HG1 VAL 58 1HG1 VAL 58 9.865 -2.091 -0.792 1180 2HG1 VAL 58 2HG1 VAL 58 9.859 -3.839 -1.030 1181 3HG1 VAL 58 3HG1 VAL 58 10.558 -3.152 0.435 1182 1HG2 VAL 58 1HG2 VAL 58 7.617 -3.031 2.368 1183 2HG2 VAL 58 2HG2 VAL 58 8.738 -1.731 1.966 1184 3HG2 VAL 58 3HG2 VAL 58 9.349 -3.350 2.302 1185 H GLY 59 H GLY 59 8.434 -1.171 -2.364 1186 1HA GLY 59 2HA GLY 59 8.177 -3.285 -4.204 1187 2HA GLY 59 1HA GLY 59 6.791 -2.219 -4.389 1188 H ARG 60 H ARG 60 7.204 -1.284 -6.312 1189 HA ARG 60 HA ARG 60 9.182 0.766 -6.435 1190 1HB ARG 60 2HB ARG 60 10.529 -0.123 -8.276 1191 2HB ARG 60 1HB ARG 60 10.655 -1.148 -6.853 1192 1HG ARG 60 2HG ARG 60 9.184 -2.772 -7.807 1193 2HG ARG 60 1HG ARG 60 8.813 -1.710 -9.166 1194 1HD ARG 60 2HD ARG 60 10.385 -3.384 -9.882 1195 2HD ARG 60 1HD ARG 60 11.188 -1.817 -9.845 1196 HE ARG 60 HE ARG 60 12.646 -2.682 -8.333 1197 1HH1 ARG 60 1HH1 ARG 60 9.719 -4.582 -8.212 1198 2HH1 ARG 60 2HH1 ARG 60 10.352 -5.708 -7.060 1199 1HH2 ARG 60 1HH2 ARG 60 13.481 -4.171 -6.831 1200 2HH2 ARG 60 2HH2 ARG 60 12.489 -5.477 -6.278 1201 H ASN 61 H ASN 61 6.331 0.439 -6.856 1202 HA ASN 61 HA ASN 61 5.778 2.183 -8.850 1203 1HB ASN 61 2HB ASN 61 6.703 0.712 -10.525 1204 2HB ASN 61 1HB ASN 61 5.748 -0.641 -9.932 1205 1HD2 ASN 61 1HD2 ASN 61 4.004 -1.084 -11.038 1206 2HD2 ASN 61 2HD2 ASN 61 3.116 0.011 -12.036 1207 H PHE 62 H PHE 62 4.311 2.562 -7.062 1208 HA PHE 62 HA PHE 62 1.713 1.480 -7.530 1209 1HB PHE 62 2HB PHE 62 1.379 0.376 -5.371 1210 2HB PHE 62 1HB PHE 62 2.668 -0.408 -6.283 1211 HD1 PHE 62 1HD PHE 62 5.065 0.200 -5.706 1212 HD2 PHE 62 2HD PHE 62 1.763 1.183 -3.222 1213 HE1 PHE 62 1HE PHE 62 6.600 0.531 -3.811 1214 HE2 PHE 62 2HE PHE 62 3.284 1.515 -1.320 1215 HZ PHE 62 HZ PHE 62 5.709 1.186 -1.609 1216 H GLY 63 H GLY 63 0.167 2.803 -6.825 1217 1HA GLY 63 2HA GLY 63 0.968 5.151 -5.243 1218 2HA GLY 63 1HA GLY 63 -0.513 4.995 -6.182 1219 H SER 64 H SER 64 0.102 5.606 -3.183 1220 HA SER 64 HA SER 64 -2.005 3.818 -2.227 1221 1HB SER 64 2HB SER 64 0.672 4.038 -0.845 1222 2HB SER 64 1HB SER 64 -0.732 3.169 -0.228 1223 HG SER 64 HG SER 64 0.619 2.619 -2.662 1224 H TYR 65 H TYR 65 -3.070 4.396 -0.384 1225 HA TYR 65 HA TYR 65 -2.524 7.001 0.833 1226 1HB TYR 65 2HB TYR 65 -5.037 6.179 -0.576 1227 2HB TYR 65 1HB TYR 65 -5.157 7.211 0.845 1228 HD1 TYR 65 1HD TYR 65 -3.100 9.117 0.683 1229 HD2 TYR 65 2HD TYR 65 -5.293 7.383 -2.523 1230 HE1 TYR 65 1HE TYR 65 -2.648 11.102 -0.690 1231 HE2 TYR 65 2HE TYR 65 -4.845 9.365 -3.907 1232 HH TYR 65 HH TYR 65 -4.274 11.966 -3.272 1233 H VAL 66 H VAL 66 -2.824 6.978 3.016 1234 HA VAL 66 HA VAL 66 -4.472 4.965 4.305 1235 HB VAL 66 HB VAL 66 -1.506 5.040 4.868 1236 1HG1 VAL 66 1HG1 VAL 66 -2.048 2.881 6.063 1237 2HG1 VAL 66 2HG1 VAL 66 -3.745 3.311 5.885 1238 3HG1 VAL 66 3HG1 VAL 66 -2.667 4.352 6.811 1239 1HG2 VAL 66 1HG2 VAL 66 -1.753 4.079 2.694 1240 2HG2 VAL 66 2HG2 VAL 66 -3.097 3.070 3.231 1241 3HG2 VAL 66 3HG2 VAL 66 -1.470 2.762 3.831 1242 H THR 67 H THR 67 -4.421 5.225 6.715 1243 HA THR 67 HA THR 67 -3.739 7.990 7.490 1244 HB THR 67 HB THR 67 -6.045 6.277 8.465 1245 HG1 THR 67 1HG THR 67 -6.453 7.172 6.442 1246 1HG2 THR 67 1HG2 THR 67 -6.771 8.062 9.808 1247 2HG2 THR 67 2HG2 THR 67 -5.567 9.160 9.134 1248 3HG2 THR 67 3HG2 THR 67 -5.063 7.836 10.183 1249 H HIS 68 H HIS 68 -2.950 8.287 9.658 1250 HA HIS 68 HA HIS 68 -2.437 5.988 11.310 1251 1HB HIS 68 2HB HIS 68 0.047 6.185 11.127 1252 2HB HIS 68 1HB HIS 68 -0.740 5.603 9.660 1253 HD1 HIS 68 1HD HIS 68 0.762 8.774 11.087 1254 HD2 HIS 68 2HD HIS 68 -0.304 7.124 7.424 1255 HE1 HIS 68 1HE HIS 68 1.600 10.388 9.352 1256 HE2 HIS 68 2HE HIS 68 1.013 9.334 7.142 1257 H GLU 69 H GLU 69 -1.569 6.462 13.323 1258 HA GLU 69 HA GLU 69 -2.209 8.969 14.416 1259 1HB GLU 69 2HB GLU 69 -2.198 6.908 15.731 1260 2HB GLU 69 1HB GLU 69 -0.460 6.761 15.517 1261 1HG GLU 69 2HG GLU 69 -0.127 8.824 16.771 1262 2HG GLU 69 1HG GLU 69 -1.869 8.976 16.983 1263 H THR 70 H THR 70 -0.953 10.689 15.079 1264 HA THR 70 HA THR 70 1.237 11.407 13.506 1265 HB THR 70 HB THR 70 1.547 13.268 15.100 1266 HG1 THR 70 1HG THR 70 -0.303 11.772 16.621 1267 1HG2 THR 70 1HG2 THR 70 -0.435 14.395 14.688 1268 2HG2 THR 70 2HG2 THR 70 -1.403 12.923 14.767 1269 3HG2 THR 70 3HG2 THR 70 -0.352 13.214 13.381 1270 H LYS 71 H LYS 71 3.433 11.665 13.961 1271 HA LYS 71 HA LYS 71 5.480 11.080 14.738 1272 1HB LYS 71 2HB LYS 71 3.998 10.505 17.310 1273 2HB LYS 71 1HB LYS 71 5.745 10.589 17.147 1274 1HG LYS 71 2HG LYS 71 4.062 12.923 16.360 1275 2HG LYS 71 1HG LYS 71 4.426 12.623 18.058 1276 1HD LYS 71 2HD LYS 71 6.031 14.180 17.133 1277 2HD LYS 71 1HD LYS 71 6.832 12.659 17.525 1278 1HE LYS 71 2HE LYS 71 6.863 12.011 15.224 1279 2HE LYS 71 1HE LYS 71 5.856 13.385 14.769 1280 1HZ LYS 71 1HZ LYS 71 8.701 13.257 15.278 1281 2HZ LYS 71 2HZ LYS 71 7.925 14.594 15.964 1282 3HZ LYS 71 3HZ LYS 71 7.823 14.321 14.298 1283 H HIS 72 H HIS 72 3.892 9.175 13.366 1284 HA HIS 72 HA HIS 72 5.374 6.803 14.051 1285 1HB HIS 72 2HB HIS 72 2.351 6.762 14.177 1286 2HB HIS 72 1HB HIS 72 3.377 5.333 14.192 1287 HD1 HIS 72 1HD HIS 72 2.747 8.435 16.293 1288 HD2 HIS 72 2HD HIS 72 4.161 4.547 16.671 1289 HE1 HIS 72 1HE HIS 72 3.107 8.089 18.757 1290 HE2 HIS 72 2HE HIS 72 4.036 5.755 18.955 1291 H PHE 73 H PHE 73 6.078 7.734 11.916 1292 HA PHE 73 HA PHE 73 5.105 6.101 9.826 1293 1HB PHE 73 2HB PHE 73 3.276 7.713 9.760 1294 2HB PHE 73 1HB PHE 73 4.423 9.043 9.641 1295 HD1 PHE 73 1HD PHE 73 6.030 8.973 7.588 1296 HD2 PHE 73 2HD PHE 73 2.376 6.813 7.846 1297 HE1 PHE 73 1HE PHE 73 5.977 8.783 5.138 1298 HE2 PHE 73 2HE PHE 73 2.314 6.618 5.394 1299 HZ PHE 73 HZ PHE 73 4.117 7.605 4.037 1300 H ILE 74 H ILE 74 6.466 6.070 8.047 1301 HA ILE 74 HA ILE 74 8.471 8.049 7.604 1302 HB ILE 74 HB ILE 74 9.493 7.012 9.555 1303 1HG1 ILE 74 2HG1 ILE 74 10.857 6.250 6.961 1304 2HG1 ILE 74 1HG1 ILE 74 10.976 7.804 7.779 1305 1HG2 ILE 74 1HG2 ILE 74 8.390 4.826 9.383 1306 2HG2 ILE 74 2HG2 ILE 74 10.136 4.670 9.579 1307 3HG2 ILE 74 3HG2 ILE 74 9.402 4.434 7.993 1308 1HD1 ILE 74 1HD1 ILE 74 11.761 6.054 9.726 1309 2HD1 ILE 74 2HD1 ILE 74 12.836 6.977 8.675 1310 3HD1 ILE 74 3HD1 ILE 74 12.407 5.319 8.258 1311 H TYR 75 H TYR 75 9.061 7.984 5.543 1312 HA TYR 75 HA TYR 75 8.668 5.480 4.033 1313 1HB TYR 75 2HB TYR 75 7.075 7.413 3.514 1314 2HB TYR 75 1HB TYR 75 8.476 8.261 2.867 1315 HD1 TYR 75 1HD TYR 75 9.905 6.686 1.165 1316 HD2 TYR 75 2HD TYR 75 5.741 6.356 1.977 1317 HE1 TYR 75 1HE TYR 75 9.578 5.554 -0.991 1318 HE2 TYR 75 2HE TYR 75 5.404 5.228 -0.181 1319 HH TYR 75 HH TYR 75 7.847 5.100 -2.588 1320 H PHE 76 H PHE 76 10.379 4.805 2.760 1321 HA PHE 76 HA PHE 76 12.507 6.559 2.012 1322 1HB PHE 76 2HB PHE 76 14.267 5.485 3.383 1323 2HB PHE 76 1HB PHE 76 13.081 6.344 4.361 1324 HD1 PHE 76 1HD PHE 76 11.036 4.803 5.124 1325 HD2 PHE 76 2HD PHE 76 14.919 3.414 4.087 1326 HE1 PHE 76 1HE PHE 76 10.646 2.753 6.428 1327 HE2 PHE 76 2HE PHE 76 14.539 1.362 5.388 1328 HZ PHE 76 HZ PHE 76 12.400 1.030 6.561 1329 H TYR 77 H TYR 77 13.689 5.747 0.383 1330 HA TYR 77 HA TYR 77 12.987 3.111 -0.622 1331 1HB TYR 77 2HB TYR 77 14.768 5.263 -1.794 1332 2HB TYR 77 1HB TYR 77 14.316 3.768 -2.607 1333 HD1 TYR 77 1HD TYR 77 12.698 6.709 -0.949 1334 HD2 TYR 77 2HD TYR 77 12.538 3.827 -4.075 1335 HE1 TYR 77 1HE TYR 77 10.690 7.803 -1.849 1336 HE2 TYR 77 2HE TYR 77 10.531 4.917 -4.985 1337 HH TYR 77 HH TYR 77 8.648 6.964 -3.345 1338 H LEU 78 H LEU 78 14.532 1.442 -1.028 1339 HA LEU 78 HA LEU 78 17.245 1.801 -0.100 1340 1HB LEU 78 2HB LEU 78 15.716 1.356 1.923 1341 2HB LEU 78 1HB LEU 78 15.597 -0.278 1.305 1342 HG LEU 78 HG LEU 78 18.201 1.058 2.041 1343 1HD1 LEU 78 1HD1 LEU 78 16.782 -1.059 3.624 1344 2HD1 LEU 78 2HD1 LEU 78 16.535 0.661 3.927 1345 3HD1 LEU 78 3HD1 LEU 78 18.142 -0.045 4.105 1346 1HD2 LEU 78 1HD2 LEU 78 18.697 -1.556 2.172 1347 2HD2 LEU 78 2HD2 LEU 78 18.902 -0.623 0.689 1348 3HD2 LEU 78 3HD2 LEU 78 17.441 -1.580 0.932 1349 H GLY 79 H GLY 79 18.626 0.422 -1.053 1350 1HA GLY 79 2HA GLY 79 19.429 -1.312 -2.322 1351 2HA GLY 79 1HA GLY 79 17.944 -2.184 -1.960 1352 H GLN 80 H GLN 80 16.073 -1.748 -3.233 1353 HA GLN 80 HA GLN 80 16.276 -0.126 -5.566 1354 1HB GLN 80 2HB GLN 80 16.227 -3.134 -5.920 1355 2HB GLN 80 1HB GLN 80 15.975 -1.967 -7.209 1356 1HG GLN 80 2HG GLN 80 18.259 -1.103 -6.814 1357 2HG GLN 80 1HG GLN 80 18.496 -2.377 -5.619 1358 1HE2 GLN 80 1HE2 GLN 80 19.588 -4.034 -6.358 1359 2HE2 GLN 80 2HE2 GLN 80 19.568 -4.635 -7.977 1360 H VAL 81 H VAL 81 14.549 -0.416 -3.291 1361 HA VAL 81 HA VAL 81 12.017 -0.487 -4.667 1362 HB VAL 81 HB VAL 81 10.971 -2.128 -3.130 1363 1HG1 VAL 81 1HG1 VAL 81 13.259 -3.394 -4.616 1364 2HG1 VAL 81 2HG1 VAL 81 11.847 -2.712 -5.421 1365 3HG1 VAL 81 3HG1 VAL 81 11.656 -4.064 -4.305 1366 1HG2 VAL 81 1HG2 VAL 81 12.034 -2.928 -1.350 1367 2HG2 VAL 81 2HG2 VAL 81 13.407 -1.893 -1.745 1368 3HG2 VAL 81 3HG2 VAL 81 13.344 -3.545 -2.358 1369 H ALA 82 H ALA 82 10.591 0.874 -3.739 1370 HA ALA 82 HA ALA 82 11.440 2.504 -1.561 1371 1HB ALA 82 1HB ALA 82 9.781 2.947 -3.600 1372 2HB ALA 82 2HB ALA 82 9.697 3.863 -2.095 1373 3HB ALA 82 3HB ALA 82 8.590 2.517 -2.372 1374 H ILE 83 H ILE 83 11.130 2.230 0.560 1375 HA ILE 83 HA ILE 83 9.284 0.104 1.416 1376 HB ILE 83 HB ILE 83 11.613 1.267 2.951 1377 1HG1 ILE 83 2HG1 ILE 83 12.407 -1.213 2.612 1378 2HG1 ILE 83 1HG1 ILE 83 11.329 -1.163 1.221 1379 1HG2 ILE 83 1HG2 ILE 83 9.842 0.490 4.415 1380 2HG2 ILE 83 2HG2 ILE 83 11.229 -0.594 4.504 1381 3HG2 ILE 83 3HG2 ILE 83 9.805 -1.062 3.578 1382 1HD1 ILE 83 1HD1 ILE 83 13.784 0.472 1.741 1383 2HD1 ILE 83 2HD1 ILE 83 12.597 0.919 0.516 1384 3HD1 ILE 83 3HD1 ILE 83 13.448 -0.620 0.397 1385 H LEU 84 H LEU 84 7.735 0.493 2.935 1386 HA LEU 84 HA LEU 84 7.589 3.184 4.091 1387 1HB LEU 84 2HB LEU 84 6.156 3.180 2.114 1388 2HB LEU 84 1HB LEU 84 5.319 1.758 2.706 1389 HG LEU 84 HG LEU 84 4.469 3.055 4.617 1390 1HD1 LEU 84 1HD1 LEU 84 6.474 4.904 3.789 1391 2HD1 LEU 84 2HD1 LEU 84 5.446 4.949 5.221 1392 3HD1 LEU 84 3HD1 LEU 84 4.901 5.698 3.720 1393 1HD2 LEU 84 1HD2 LEU 84 3.713 4.761 2.334 1394 2HD2 LEU 84 2HD2 LEU 84 2.705 3.830 3.441 1395 3HD2 LEU 84 3HD2 LEU 84 3.519 3.024 2.101 1396 H LEU 85 H LEU 85 6.936 3.246 6.159 1397 HA LEU 85 HA LEU 85 5.549 0.970 7.336 1398 1HB LEU 85 2HB LEU 85 7.905 0.409 7.628 1399 2HB LEU 85 1HB LEU 85 8.209 1.978 8.351 1400 HG LEU 85 HG LEU 85 6.783 1.397 10.255 1401 1HD1 LEU 85 1HD1 LEU 85 5.269 -0.211 10.114 1402 2HD1 LEU 85 2HD1 LEU 85 6.545 -1.410 9.912 1403 3HD1 LEU 85 3HD1 LEU 85 5.844 -0.621 8.500 1404 1HD2 LEU 85 1HD2 LEU 85 9.080 0.925 10.560 1405 2HD2 LEU 85 2HD2 LEU 85 8.988 -0.527 9.562 1406 3HD2 LEU 85 3HD2 LEU 85 8.205 -0.492 11.143 1407 H PHE 86 H PHE 86 4.163 1.565 8.918 1408 HA PHE 86 HA PHE 86 4.456 3.804 10.593 1409 1HB PHE 86 2HB PHE 86 2.768 5.313 9.621 1410 2HB PHE 86 1HB PHE 86 4.151 5.105 8.556 1411 HD1 PHE 86 1HD PHE 86 3.781 2.951 6.891 1412 HD2 PHE 86 2HD PHE 86 0.760 5.409 8.582 1413 HE1 PHE 86 1HE PHE 86 2.266 2.339 5.058 1414 HE2 PHE 86 2HE PHE 86 -0.763 4.808 6.755 1415 HZ PHE 86 HZ PHE 86 -0.013 3.268 4.988 1416 H LYS 87 H LYS 87 3.156 3.525 12.302 1417 HA LYS 87 HA LYS 87 0.951 1.620 12.009 1418 1HB LYS 87 2HB LYS 87 1.184 1.125 14.355 1419 2HB LYS 87 1HB LYS 87 2.734 0.983 13.560 1420 1HG LYS 87 2HG LYS 87 3.243 2.042 15.552 1421 2HG LYS 87 1HG LYS 87 3.174 3.363 14.387 1422 1HD LYS 87 2HD LYS 87 2.040 3.916 16.496 1423 2HD LYS 87 1HD LYS 87 0.931 3.933 15.131 1424 1HE LYS 87 2HE LYS 87 -0.049 2.851 17.100 1425 2HE LYS 87 1HE LYS 87 0.102 1.734 15.746 1426 1HZ LYS 87 1HZ LYS 87 2.045 1.917 17.984 1427 2HZ LYS 87 2HZ LYS 87 2.028 0.762 16.749 1428 3HZ LYS 87 3HZ LYS 87 0.792 0.784 17.902 1429 H SER 88 H SER 88 -0.800 1.887 13.705 1430 HA SER 88 HA SER 88 -1.478 4.687 14.207 1431 1HB SER 88 2HB SER 88 -2.481 4.148 12.020 1432 2HB SER 88 1HB SER 88 -3.302 2.764 12.742 1433 HG SER 88 HG SER 88 -4.559 4.130 13.934 1434 H GLY 89 H GLY 89 -2.570 4.985 16.082 1435 1HA GLY 89 2HA GLY 89 -2.672 2.942 17.999 1436 2HA GLY 89 1HA GLY 89 -3.490 4.492 18.126 1437 1H MET 1 1HT MET 1 -11.033 -8.976 12.794 1438 2H MET 1 2HT MET 1 -10.126 -9.912 13.913 1439 3H MET 1 3HT MET 1 -10.348 -10.467 12.304 1440 HA MET 1 HA MET 1 -9.255 -8.193 11.750 1441 1HB MET 1 2HB MET 1 -8.268 -8.927 14.512 1442 2HB MET 1 1HB MET 1 -7.416 -7.830 13.439 1443 1HG MET 1 2HG MET 1 -8.643 -6.514 14.975 1444 2HG MET 1 1HG MET 1 -9.453 -6.391 13.417 1445 1HE MET 1 1HE MET 1 -10.772 -8.500 17.200 1446 2HE MET 1 2HE MET 1 -9.136 -8.350 16.557 1447 3HE MET 1 3HE MET 1 -10.184 -9.657 16.006 1448 H LYS 2 H LYS 2 -7.569 -8.615 10.429 1449 HA LYS 2 HA LYS 2 -5.767 -10.804 10.904 1450 1HB LYS 2 2HB LYS 2 -7.694 -10.930 8.579 1451 2HB LYS 2 1HB LYS 2 -6.274 -11.950 8.748 1452 1HG LYS 2 2HG LYS 2 -7.209 -12.862 10.835 1453 2HG LYS 2 1HG LYS 2 -8.655 -11.880 10.588 1454 1HD LYS 2 2HD LYS 2 -9.115 -13.037 8.503 1455 2HD LYS 2 1HD LYS 2 -7.633 -13.979 8.678 1456 1HE LYS 2 2HE LYS 2 -8.509 -14.970 10.734 1457 2HE LYS 2 1HE LYS 2 -9.989 -14.027 10.560 1458 1HZ LYS 2 1HZ LYS 2 -10.765 -15.378 8.949 1459 2HZ LYS 2 2HZ LYS 2 -9.728 -16.509 9.662 1460 3HZ LYS 2 3HZ LYS 2 -9.238 -15.667 8.279 1461 H ASP 3 H ASP 3 -3.854 -10.502 9.939 1462 HA ASP 3 HA ASP 3 -3.412 -8.000 8.639 1463 1HB ASP 3 2HB ASP 3 -1.030 -8.765 8.544 1464 2HB ASP 3 1HB ASP 3 -1.733 -8.777 10.158 1465 H THR 4 H THR 4 -3.583 -7.578 6.555 1466 HA THR 4 HA THR 4 -3.975 -9.642 4.618 1467 HB THR 4 HB THR 4 -5.105 -7.438 4.500 1468 HG1 THR 4 1HG THR 4 -3.389 -7.866 2.284 1469 1HG2 THR 4 1HG2 THR 4 -2.972 -6.170 5.196 1470 2HG2 THR 4 2HG2 THR 4 -4.063 -5.445 4.015 1471 3HG2 THR 4 3HG2 THR 4 -2.578 -6.230 3.478 1472 H GLY 5 H GLY 5 -2.652 -10.049 2.782 1473 1HA GLY 5 2HA GLY 5 0.032 -8.941 2.721 1474 2HA GLY 5 1HA GLY 5 -0.062 -10.655 3.111 1475 H ILE 6 H ILE 6 0.606 -8.682 0.664 1476 HA ILE 6 HA ILE 6 0.072 -10.703 -1.304 1477 HB ILE 6 HB ILE 6 -1.125 -9.032 -2.831 1478 1HG1 ILE 6 2HG1 ILE 6 -2.634 -7.467 -1.523 1479 2HG1 ILE 6 1HG1 ILE 6 -1.581 -7.748 -0.140 1480 1HG2 ILE 6 1HG2 ILE 6 -3.208 -9.901 -2.245 1481 2HG2 ILE 6 2HG2 ILE 6 -2.811 -9.945 -0.529 1482 3HG2 ILE 6 3HG2 ILE 6 -2.064 -11.096 -1.636 1483 1HD1 ILE 6 1HD1 ILE 6 -0.062 -6.317 -0.892 1484 2HD1 ILE 6 2HD1 ILE 6 -1.299 -5.782 -2.033 1485 3HD1 ILE 6 3HD1 ILE 6 -0.109 -6.990 -2.521 1486 H GLN 7 H GLN 7 1.286 -10.523 -3.128 1487 HA GLN 7 HA GLN 7 3.159 -8.254 -3.222 1488 1HB GLN 7 2HB GLN 7 4.768 -9.838 -4.273 1489 2HB GLN 7 1HB GLN 7 4.342 -10.263 -2.622 1490 1HG GLN 7 2HG GLN 7 2.761 -11.937 -3.480 1491 2HG GLN 7 1HG GLN 7 3.261 -11.540 -5.124 1492 1HE2 GLN 7 1HE2 GLN 7 4.640 -12.923 -5.942 1493 2HE2 GLN 7 2HE2 GLN 7 5.845 -13.807 -5.073 1494 H VAL 8 H VAL 8 1.889 -7.030 -4.648 1495 HA VAL 8 HA VAL 8 0.822 -8.081 -7.063 1496 HB VAL 8 HB VAL 8 1.439 -5.196 -6.411 1497 1HG1 VAL 8 1HG1 VAL 8 -0.370 -4.735 -8.044 1498 2HG1 VAL 8 2HG1 VAL 8 -0.392 -6.452 -8.446 1499 3HG1 VAL 8 3HG1 VAL 8 1.051 -5.491 -8.764 1500 1HG2 VAL 8 1HG2 VAL 8 -1.280 -5.589 -6.128 1501 2HG2 VAL 8 2HG2 VAL 8 -0.109 -5.406 -4.823 1502 3HG2 VAL 8 3HG2 VAL 8 -0.568 -7.016 -5.376 1503 H ASP 9 H ASP 9 1.645 -8.178 -9.087 1504 HA ASP 9 HA ASP 9 3.848 -6.717 -10.044 1505 1HB ASP 9 1HB ASP 9 4.527 -9.584 -9.355 1506 2HB ASP 9 2HB ASP 9 5.032 -8.201 -8.389 1507 H ARG 10 H ARG 10 1.547 -7.012 -11.228 1508 HA ARG 10 HA ARG 10 1.049 -9.246 -12.811 1509 1HB ARG 10 2HB ARG 10 0.462 -6.346 -13.437 1510 2HB ARG 10 1HB ARG 10 -0.272 -7.728 -14.237 1511 1HG ARG 10 2HG ARG 10 -0.546 -7.029 -11.321 1512 2HG ARG 10 1HG ARG 10 -1.764 -6.772 -12.573 1513 1HD ARG 10 2HD ARG 10 -0.652 -9.438 -11.698 1514 2HD ARG 10 1HD ARG 10 -2.233 -8.787 -11.269 1515 HE ARG 10 HE ARG 10 -2.024 -8.829 -14.058 1516 1HH1 ARG 10 1HH1 ARG 10 -2.219 -11.062 -11.383 1517 2HH1 ARG 10 2HH1 ARG 10 -2.985 -12.305 -12.314 1518 1HH2 ARG 10 1HH2 ARG 10 -3.031 -10.463 -15.283 1519 2HH2 ARG 10 2HH2 ARG 10 -3.444 -11.966 -14.527 1520 H ASP 11 H ASP 11 1.783 -9.973 -14.740 1521 HA ASP 11 HA ASP 11 4.240 -8.823 -15.749 1522 1HB ASP 11 2HB ASP 11 2.691 -11.261 -16.648 1523 2HB ASP 11 1HB ASP 11 4.291 -10.804 -17.223 1524 H LEU 12 H LEU 12 2.130 -7.061 -16.133 1525 HA LEU 12 HA LEU 12 1.139 -7.316 -18.829 1526 1HB LEU 12 2HB LEU 12 0.967 -5.030 -16.863 1527 2HB LEU 12 1HB LEU 12 0.133 -5.097 -18.404 1528 HG LEU 12 HG LEU 12 -0.320 -6.956 -16.068 1529 1HD1 LEU 12 1HD1 LEU 12 -1.160 -4.607 -15.837 1530 2HD1 LEU 12 2HD1 LEU 12 -2.404 -5.856 -15.775 1531 3HD1 LEU 12 3HD1 LEU 12 -2.180 -4.904 -17.244 1532 1HD2 LEU 12 1HD2 LEU 12 -1.740 -6.802 -18.724 1533 2HD2 LEU 12 2HD2 LEU 12 -2.145 -7.872 -17.381 1534 3HD2 LEU 12 3HD2 LEU 12 -0.616 -8.069 -18.236 1535 H ASP 13 H ASP 13 3.740 -7.476 -19.193 1536 HA ASP 13 HA ASP 13 4.354 -5.225 -20.806 1537 1HB ASP 13 2HB ASP 13 6.385 -4.479 -19.606 1538 2HB ASP 13 1HB ASP 13 4.918 -4.190 -18.678 1539 H GLY 14 H GLY 14 4.175 -7.970 -21.278 1540 1HA GLY 14 2HA GLY 14 6.711 -9.253 -21.247 1541 2HA GLY 14 1HA GLY 14 5.320 -9.737 -22.207 1542 H LYS 15 H LYS 15 4.912 -7.586 -23.816 1543 HA LYS 15 HA LYS 15 6.997 -7.897 -25.742 1544 1HB LYS 15 2HB LYS 15 4.540 -6.143 -25.691 1545 2HB LYS 15 1HB LYS 15 5.652 -6.207 -27.050 1546 1HG LYS 15 2HG LYS 15 3.780 -7.609 -27.525 1547 2HG LYS 15 1HG LYS 15 5.189 -8.632 -27.257 1548 1HD LYS 15 2HD LYS 15 3.205 -9.552 -26.171 1549 2HD LYS 15 1HD LYS 15 4.423 -9.098 -24.981 1550 1HE LYS 15 2HE LYS 15 3.217 -7.003 -24.559 1551 2HE LYS 15 1HE LYS 15 2.002 -7.469 -25.747 1552 1HZ LYS 15 1HZ LYS 15 1.431 -7.908 -23.357 1553 2HZ LYS 15 2HZ LYS 15 2.617 -9.113 -23.361 1554 3HZ LYS 15 3HZ LYS 15 1.284 -9.238 -24.393 1555 H SER 16 H SER 16 6.042 -5.383 -23.485 1556 HA SER 16 HA SER 16 8.635 -4.142 -23.716 1557 1HB SER 16 2HB SER 16 7.760 -1.896 -24.261 1558 2HB SER 16 1HB SER 16 7.460 -3.046 -25.564 1559 HG SER 16 HG SER 16 5.690 -1.543 -24.509 1560 H HIS 17 H HIS 17 9.162 -2.889 -21.940 1561 HA HIS 17 HA HIS 17 8.067 -3.497 -19.498 1562 1HB HIS 17 2HB HIS 17 9.584 -1.013 -20.309 1563 2HB HIS 17 1HB HIS 17 9.236 -1.450 -18.640 1564 HD1 HIS 17 1HD HIS 17 10.942 -3.082 -21.643 1565 HD2 HIS 17 2HD HIS 17 11.248 -2.834 -17.507 1566 HE1 HIS 17 1HE HIS 17 12.987 -4.410 -21.043 1567 HE2 HIS 17 2HE HIS 17 13.116 -4.302 -18.528 1568 H LYS 18 H LYS 18 6.446 -2.771 -18.244 1569 HA LYS 18 HA LYS 18 4.299 -1.358 -19.366 1570 1HB LYS 18 2HB LYS 18 3.379 -1.315 -17.077 1571 2HB LYS 18 1HB LYS 18 3.982 -2.906 -17.520 1572 1HG LYS 18 2HG LYS 18 6.020 -2.496 -16.244 1573 2HG LYS 18 1HG LYS 18 5.426 -0.894 -15.808 1574 1HD LYS 18 2HD LYS 18 5.053 -2.486 -13.998 1575 2HD LYS 18 1HD LYS 18 3.519 -1.915 -14.662 1576 1HE LYS 18 2HE LYS 18 3.335 -3.962 -15.990 1577 2HE LYS 18 1HE LYS 18 4.869 -4.529 -15.332 1578 1HZ LYS 18 1HZ LYS 18 3.543 -4.056 -13.090 1579 2HZ LYS 18 2HZ LYS 18 3.494 -5.548 -13.884 1580 3HZ LYS 18 3HZ LYS 18 2.237 -4.436 -14.096 1581 1H MET 1 1HT MET 1 -3.560 10.351 13.958 1582 2H MET 1 2HT MET 1 -4.565 11.684 13.562 1583 3H MET 1 3HT MET 1 -3.006 11.542 12.860 1584 HA MET 1 HA MET 1 -3.968 9.269 12.085 1585 1HB MET 1 2HB MET 1 -6.348 11.099 12.450 1586 2HB MET 1 1HB MET 1 -6.363 9.694 11.396 1587 1HG MET 1 2HG MET 1 -7.390 9.067 13.432 1588 2HG MET 1 1HG MET 1 -5.810 8.290 13.383 1589 1HE MET 1 1HE MET 1 -7.268 8.109 15.696 1590 2HE MET 1 2HE MET 1 -6.914 9.152 17.072 1591 3HE MET 1 3HE MET 1 -5.679 8.050 16.460 1592 H LYS 2 H LYS 2 -2.175 11.017 11.183 1593 HA LYS 2 HA LYS 2 -3.113 12.700 9.082 1594 1HB LYS 2 2HB LYS 2 -0.345 11.592 9.588 1595 2HB LYS 2 1HB LYS 2 -0.737 12.897 8.478 1596 1HG LYS 2 2HG LYS 2 -1.474 14.285 10.322 1597 2HG LYS 2 1HG LYS 2 -1.166 12.969 11.457 1598 1HD LYS 2 2HD LYS 2 0.658 14.587 11.479 1599 2HD LYS 2 1HD LYS 2 1.209 13.022 10.879 1600 1HE LYS 2 2HE LYS 2 2.115 14.845 9.534 1601 2HE LYS 2 1HE LYS 2 1.029 13.833 8.583 1602 1HZ LYS 2 1HZ LYS 2 -0.718 15.478 8.905 1603 2HZ LYS 2 2HZ LYS 2 0.634 16.171 8.160 1604 3HZ LYS 2 3HZ LYS 2 0.337 16.452 9.800 1605 H ASP 3 H ASP 3 -3.596 12.205 7.036 1606 HA ASP 3 HA ASP 3 -3.453 9.449 6.210 1607 1HB ASP 3 2HB ASP 3 -5.451 10.792 5.723 1608 2HB ASP 3 1HB ASP 3 -4.481 11.876 4.730 1609 H THR 4 H THR 4 -1.695 8.604 5.295 1610 HA THR 4 HA THR 4 0.325 10.280 4.116 1611 HB THR 4 HB THR 4 0.873 8.271 5.467 1612 HG1 THR 4 1HG THR 4 2.288 9.081 3.779 1613 1HG2 THR 4 1HG2 THR 4 0.216 6.526 3.151 1614 2HG2 THR 4 2HG2 THR 4 -1.040 6.909 4.328 1615 3HG2 THR 4 3HG2 THR 4 0.445 6.114 4.851 1616 H GLY 5 H GLY 5 0.901 10.401 1.968 1617 1HA GLY 5 2HA GLY 5 -0.672 8.873 0.024 1618 2HA GLY 5 1HA GLY 5 -0.752 10.627 -0.056 1619 H ILE 6 H ILE 6 0.602 8.113 -1.523 1620 HA ILE 6 HA ILE 6 2.683 9.705 -2.686 1621 HB ILE 6 HB ILE 6 4.466 7.941 -2.204 1622 1HG1 ILE 6 2HG1 ILE 6 4.198 6.855 0.049 1623 2HG1 ILE 6 1HG1 ILE 6 2.502 7.323 0.005 1624 1HG2 ILE 6 1HG2 ILE 6 5.330 9.220 -0.491 1625 2HG2 ILE 6 2HG2 ILE 6 3.754 9.466 0.261 1626 3HG2 ILE 6 3HG2 ILE 6 4.166 10.324 -1.223 1627 1HD1 ILE 6 1HD1 ILE 6 3.472 4.953 -0.849 1628 2HD1 ILE 6 2HD1 ILE 6 3.431 5.866 -2.357 1629 3HD1 ILE 6 3HD1 ILE 6 1.960 5.675 -1.403 1630 H GLN 7 H GLN 7 3.523 8.862 -4.590 1631 HA GLN 7 HA GLN 7 2.365 6.329 -5.520 1632 1HB GLN 7 2HB GLN 7 1.891 7.332 -7.701 1633 2HB GLN 7 1HB GLN 7 1.010 8.160 -6.423 1634 1HG GLN 7 2HG GLN 7 2.677 9.947 -6.433 1635 2HG GLN 7 1HG GLN 7 3.552 9.119 -7.721 1636 1HE2 GLN 7 1HE2 GLN 7 1.551 11.592 -7.147 1637 2HE2 GLN 7 2HE2 GLN 7 0.728 11.692 -8.662 1638 H VAL 8 H VAL 8 3.809 5.005 -6.388 1639 HA VAL 8 HA VAL 8 6.407 6.124 -7.222 1640 HB VAL 8 HB VAL 8 5.856 3.341 -6.175 1641 1HG1 VAL 8 1HG1 VAL 8 8.501 4.681 -6.711 1642 2HG1 VAL 8 2HG1 VAL 8 7.721 3.548 -7.815 1643 3HG1 VAL 8 3HG1 VAL 8 8.228 3.011 -6.213 1644 1HG2 VAL 8 1HG2 VAL 8 6.873 5.828 -4.856 1645 2HG2 VAL 8 2HG2 VAL 8 7.375 4.237 -4.282 1646 3HG2 VAL 8 3HG2 VAL 8 5.666 4.675 -4.288 1647 H ASP 9 H ASP 9 7.301 5.453 -9.151 1648 HA ASP 9 HA ASP 9 6.089 3.361 -10.718 1649 1HB ASP 9 2HB ASP 9 5.915 6.232 -11.665 1650 2HB ASP 9 1HB ASP 9 5.521 4.816 -12.634 1651 H ARG 10 H ARG 10 8.679 3.793 -9.656 1652 HA ARG 10 HA ARG 10 10.439 4.795 -11.664 1653 1HB ARG 10 2HB ARG 10 10.972 3.028 -9.272 1654 2HB ARG 10 1HB ARG 10 12.223 3.736 -10.287 1655 1HG ARG 10 2HG ARG 10 11.432 5.977 -9.674 1656 2HG ARG 10 1HG ARG 10 10.216 5.247 -8.625 1657 1HD ARG 10 2HD ARG 10 11.964 4.223 -7.279 1658 2HD ARG 10 1HD ARG 10 13.198 4.886 -8.347 1659 HE ARG 10 HE ARG 10 11.935 6.222 -6.200 1660 1HH1 ARG 10 1HH1 ARG 10 13.159 6.763 -9.424 1661 2HH1 ARG 10 2HH1 ARG 10 13.423 8.456 -9.172 1662 1HH2 ARG 10 1HH2 ARG 10 12.286 8.445 -5.867 1663 2HH2 ARG 10 2HH2 ARG 10 12.929 9.410 -7.155 1664 H ASP 11 H ASP 11 9.299 1.597 -10.736 1665 HA ASP 11 HA ASP 11 9.307 -0.403 -11.814 1666 1HB ASP 11 2HB ASP 11 10.018 1.269 -14.234 1667 2HB ASP 11 1HB ASP 11 9.496 -0.411 -14.274 1668 H LEU 12 H LEU 12 11.567 0.208 -10.385 1669 HA LEU 12 HA LEU 12 13.944 -0.255 -11.928 1670 1HB LEU 12 2HB LEU 12 13.492 -0.363 -8.945 1671 2HB LEU 12 1HB LEU 12 15.057 -0.403 -9.733 1672 HG LEU 12 HG LEU 12 13.110 1.904 -9.782 1673 1HD1 LEU 12 1HD1 LEU 12 15.062 3.011 -8.568 1674 2HD1 LEU 12 2HD1 LEU 12 15.648 1.374 -8.272 1675 3HD1 LEU 12 3HD1 LEU 12 14.074 1.874 -7.650 1676 1HD2 LEU 12 1HD2 LEU 12 15.304 3.000 -10.722 1677 2HD2 LEU 12 2HD2 LEU 12 14.179 2.165 -11.792 1678 3HD2 LEU 12 3HD2 LEU 12 15.644 1.350 -11.244 1679 H ASP 13 H ASP 13 12.420 -2.261 -12.720 1680 HA ASP 13 HA ASP 13 12.377 -4.609 -11.207 1681 1HB ASP 13 2HB ASP 13 12.540 -4.286 -14.211 1682 2HB ASP 13 1HB ASP 13 12.099 -5.772 -13.374 1683 H GLY 14 H GLY 14 13.826 -6.198 -10.809 1684 1HA GLY 14 2HA GLY 14 16.596 -5.652 -11.232 1685 2HA GLY 14 1HA GLY 14 15.921 -7.105 -10.508 1686 H LYS 15 H LYS 15 14.473 -8.253 -12.442 1687 HA LYS 15 HA LYS 15 16.495 -9.244 -14.216 1688 1HB LYS 15 2HB LYS 15 14.829 -10.746 -13.245 1689 2HB LYS 15 1HB LYS 15 13.541 -9.864 -14.054 1690 1HG LYS 15 2HG LYS 15 14.457 -10.524 -16.226 1691 2HG LYS 15 1HG LYS 15 15.735 -11.423 -15.405 1692 1HD LYS 15 2HD LYS 15 12.773 -11.951 -15.169 1693 2HD LYS 15 1HD LYS 15 13.915 -12.896 -16.128 1694 1HE LYS 15 2HE LYS 15 13.985 -12.536 -13.132 1695 2HE LYS 15 1HE LYS 15 13.435 -13.976 -13.987 1696 1HZ LYS 15 1HZ LYS 15 15.661 -14.235 -14.899 1697 2HZ LYS 15 2HZ LYS 15 15.704 -14.231 -13.209 1698 3HZ LYS 15 3HZ LYS 15 16.186 -12.858 -14.069 1699 H SER 16 H SER 16 13.370 -7.605 -14.719 1700 HA SER 16 HA SER 16 13.640 -7.355 -17.514 1701 1HB SER 16 2HB SER 16 12.007 -5.684 -15.588 1702 2HB SER 16 1HB SER 16 11.814 -5.701 -17.340 1703 HG SER 16 HG SER 16 11.176 -7.672 -15.454 1704 H HIS 17 H HIS 17 14.437 -5.166 -14.849 1705 HA HIS 17 HA HIS 17 15.787 -3.336 -14.732 1706 1HB HIS 17 2HB HIS 17 17.427 -4.825 -15.840 1707 2HB HIS 17 1HB HIS 17 16.827 -4.296 -17.409 1708 HD1 HIS 17 1HD HIS 17 19.574 -3.724 -17.413 1709 HD2 HIS 17 2HD HIS 17 17.025 -1.212 -15.306 1710 HE1 HIS 17 1HE HIS 17 20.841 -1.572 -17.123 1711 HE2 HIS 17 2HE HIS 17 19.242 -0.036 -15.925 1712 H LYS 18 H LYS 18 15.103 -1.316 -14.959 1713 HA LYS 18 HA LYS 18 13.146 -0.512 -16.762 1714 1HB LYS 18 2HB LYS 18 13.597 0.639 -14.645 1715 2HB LYS 18 1HB LYS 18 15.147 1.188 -15.264 1716 1HG LYS 18 2HG LYS 18 13.995 2.477 -16.992 1717 2HG LYS 18 1HG LYS 18 12.444 1.939 -16.344 1718 1HD LYS 18 2HD LYS 18 12.972 3.017 -14.205 1719 2HD LYS 18 1HD LYS 18 14.513 3.563 -14.865 1720 1HE LYS 18 2HE LYS 18 11.777 4.321 -15.885 1721 2HE LYS 18 1HE LYS 18 12.842 5.343 -14.920 1722 1HZ LYS 18 1HZ LYS 18 13.631 6.071 -16.849 1723 2HZ LYS 18 2HZ LYS 18 12.866 4.850 -17.733 1724 3HZ LYS 18 3HZ LYS 18 14.381 4.567 -17.040 Start of MODEL 9 1 1H MET 1 1HT MET 1 -21.359 -3.758 -20.833 2 2H MET 1 2HT MET 1 -20.807 -5.373 -20.999 3 3H MET 1 3HT MET 1 -19.758 -4.064 -21.361 4 HA MET 1 HA MET 1 -20.887 -4.702 -18.716 5 1HB MET 1 2HB MET 1 -18.114 -5.057 -19.877 6 2HB MET 1 1HB MET 1 -18.547 -5.333 -18.196 7 1HG MET 1 2HG MET 1 -20.078 -7.113 -18.891 8 2HG MET 1 1HG MET 1 -19.612 -6.845 -20.570 9 1HE MET 1 1HE MET 1 -17.161 -6.402 -21.006 10 2HE MET 1 2HE MET 1 -16.451 -8.001 -21.232 11 3HE MET 1 3HE MET 1 -15.831 -6.930 -19.976 12 H CYS 2 H CYS 2 -21.290 -2.184 -19.717 13 HA CYS 2 HA CYS 2 -19.199 -0.353 -19.330 14 1HB CYS 2 2HB CYS 2 -20.975 1.351 -19.186 15 2HB CYS 2 1HB CYS 2 -21.238 0.246 -20.530 16 HG CYS 2 HG CYS 2 -23.515 0.282 -19.522 17 H ASP 3 H ASP 3 -18.376 0.633 -17.576 18 HA ASP 3 HA ASP 3 -17.899 1.073 -15.397 19 1HB ASP 3 2HB ASP 3 -20.890 0.759 -15.062 20 2HB ASP 3 1HB ASP 3 -19.803 1.474 -13.876 21 H ARG 4 H ARG 4 -17.420 -1.515 -16.152 22 HA ARG 4 HA ARG 4 -17.253 -2.852 -13.688 23 1HB ARG 4 2HB ARG 4 -19.732 -3.110 -14.234 24 2HB ARG 4 1HB ARG 4 -19.235 -4.141 -15.565 25 1HG ARG 4 2HG ARG 4 -18.545 -4.666 -12.683 26 2HG ARG 4 1HG ARG 4 -19.943 -5.352 -13.509 27 1HD ARG 4 2HD ARG 4 -18.354 -6.336 -15.183 28 2HD ARG 4 1HD ARG 4 -17.034 -5.794 -14.150 29 HE ARG 4 HE ARG 4 -17.403 -7.617 -12.855 30 1HH1 ARG 4 1HH1 ARG 4 -20.365 -6.900 -14.559 31 2HH1 ARG 4 2HH1 ARG 4 -21.224 -8.240 -13.880 32 1HH2 ARG 4 1HH2 ARG 4 -18.533 -9.382 -11.967 33 2HH2 ARG 4 2HH2 ARG 4 -20.185 -9.650 -12.411 34 H LYS 5 H LYS 5 -15.525 -4.129 -13.842 35 HA LYS 5 HA LYS 5 -15.009 -5.895 -15.984 36 1HB LYS 5 2HB LYS 5 -14.463 -3.849 -17.200 37 2HB LYS 5 1HB LYS 5 -13.347 -3.371 -15.927 38 1HG LYS 5 2HG LYS 5 -12.184 -4.278 -17.873 39 2HG LYS 5 1HG LYS 5 -11.918 -5.265 -16.433 40 1HD LYS 5 2HD LYS 5 -13.628 -6.839 -17.198 41 2HD LYS 5 1HD LYS 5 -13.899 -5.849 -18.633 42 1HE LYS 5 2HE LYS 5 -11.583 -6.227 -19.330 43 2HE LYS 5 1HE LYS 5 -11.313 -7.215 -17.894 44 1HZ LYS 5 1HZ LYS 5 -11.765 -8.550 -19.878 45 2HZ LYS 5 2HZ LYS 5 -13.287 -7.826 -20.028 46 3HZ LYS 5 3HZ LYS 5 -12.937 -8.791 -18.682 47 H ALA 6 H ALA 6 -13.618 -3.953 -13.399 48 HA ALA 6 HA ALA 6 -11.326 -5.248 -12.762 49 1HB ALA 6 1HB ALA 6 -13.335 -4.411 -10.685 50 2HB ALA 6 2HB ALA 6 -12.329 -3.278 -11.584 51 3HB ALA 6 3HB ALA 6 -11.582 -4.473 -10.524 52 H VAL 7 H VAL 7 -10.717 -7.218 -12.080 53 HA VAL 7 HA VAL 7 -12.796 -9.164 -11.469 54 HB VAL 7 HB VAL 7 -10.997 -10.820 -11.669 55 1HG1 VAL 7 1HG1 VAL 7 -11.354 -8.951 -13.999 56 2HG1 VAL 7 2HG1 VAL 7 -12.326 -10.371 -13.612 57 3HG1 VAL 7 3HG1 VAL 7 -10.648 -10.562 -14.121 58 1HG2 VAL 7 1HG2 VAL 7 -8.812 -10.206 -12.506 59 2HG2 VAL 7 2HG2 VAL 7 -9.135 -9.361 -10.991 60 3HG2 VAL 7 3HG2 VAL 7 -9.276 -8.506 -12.527 61 H ILE 8 H ILE 8 -12.997 -10.164 -9.549 62 HA ILE 8 HA ILE 8 -11.695 -8.992 -7.272 63 HB ILE 8 HB ILE 8 -13.688 -11.248 -7.499 64 1HG1 ILE 8 2HG1 ILE 8 -15.192 -9.602 -6.413 65 2HG1 ILE 8 1HG1 ILE 8 -13.898 -8.410 -6.466 66 1HG2 ILE 8 1HG2 ILE 8 -13.894 -11.063 -5.026 67 2HG2 ILE 8 2HG2 ILE 8 -12.453 -10.047 -5.025 68 3HG2 ILE 8 3HG2 ILE 8 -12.351 -11.723 -5.566 69 1HD1 ILE 8 1HD1 ILE 8 -15.689 -8.285 -8.258 70 2HD1 ILE 8 2HD1 ILE 8 -14.939 -9.725 -8.948 71 3HD1 ILE 8 3HD1 ILE 8 -14.010 -8.233 -8.792 72 H LYS 9 H LYS 9 -10.064 -9.773 -6.078 73 HA LYS 9 HA LYS 9 -8.898 -12.346 -6.913 74 1HB LYS 9 2HB LYS 9 -7.550 -10.314 -7.457 75 2HB LYS 9 1HB LYS 9 -7.444 -9.975 -5.735 76 1HG LYS 9 2HG LYS 9 -5.425 -11.049 -6.506 77 2HG LYS 9 1HG LYS 9 -6.292 -12.113 -5.398 78 1HD LYS 9 2HD LYS 9 -7.216 -13.345 -7.297 79 2HD LYS 9 1HD LYS 9 -6.364 -12.275 -8.411 80 1HE LYS 9 2HE LYS 9 -5.085 -14.099 -6.374 81 2HE LYS 9 1HE LYS 9 -5.172 -14.390 -8.112 82 1HZ LYS 9 1HZ LYS 9 -3.498 -12.508 -6.623 83 2HZ LYS 9 2HZ LYS 9 -4.013 -12.049 -8.167 84 3HZ LYS 9 3HZ LYS 9 -3.115 -13.468 -7.963 85 H ASN 10 H ASN 10 -9.719 -10.271 -4.193 86 HA ASN 10 HA ASN 10 -9.812 -12.570 -2.449 87 1HB ASN 10 2HB ASN 10 -7.904 -10.298 -1.866 88 2HB ASN 10 1HB ASN 10 -8.306 -11.596 -0.747 89 1HD2 ASN 10 1HD2 ASN 10 -6.037 -10.567 -2.821 90 2HD2 ASN 10 2HD2 ASN 10 -5.319 -12.074 -3.268 91 H ALA 11 H ALA 11 -11.948 -11.176 -3.215 92 HA ALA 11 HA ALA 11 -12.652 -8.899 -1.752 93 1HB ALA 11 1HB ALA 11 -15.037 -9.759 -2.150 94 2HB ALA 11 2HB ALA 11 -14.269 -11.080 -3.029 95 3HB ALA 11 3HB ALA 11 -14.037 -9.414 -3.561 96 H ASP 12 H ASP 12 -13.620 -8.569 0.222 97 HA ASP 12 HA ASP 12 -14.466 -10.785 1.863 98 1HB ASP 12 2HB ASP 12 -12.049 -9.155 2.670 99 2HB ASP 12 1HB ASP 12 -12.883 -10.312 3.703 100 H MET 13 H MET 13 -16.377 -9.377 1.513 101 HA MET 13 HA MET 13 -16.714 -7.633 3.787 102 1HB MET 13 2HB MET 13 -16.947 -6.553 0.977 103 2HB MET 13 1HB MET 13 -17.572 -5.736 2.400 104 1HG MET 13 2HG MET 13 -15.301 -5.622 3.318 105 2HG MET 13 1HG MET 13 -14.689 -6.395 1.857 106 1HE MET 13 1HE MET 13 -13.102 -4.422 2.232 107 2HE MET 13 2HE MET 13 -13.886 -3.034 2.988 108 3HE MET 13 3HE MET 13 -13.295 -2.918 1.329 109 H SER 14 H SER 14 -19.101 -6.417 3.100 110 HA SER 14 HA SER 14 -20.880 -8.697 3.157 111 1HB SER 14 2HB SER 14 -21.437 -5.744 3.486 112 2HB SER 14 1HB SER 14 -22.618 -7.032 3.724 113 HG SER 14 HG SER 14 -20.403 -6.326 5.285 114 H GLU 15 H GLU 15 -19.681 -8.324 0.624 115 HA GLU 15 HA GLU 15 -20.233 -8.390 -1.576 116 1HB GLU 15 2HB GLU 15 -23.067 -8.309 -0.548 117 2HB GLU 15 1HB GLU 15 -22.595 -8.700 -2.195 118 1HG GLU 15 2HG GLU 15 -21.382 -10.657 -1.384 119 2HG GLU 15 1HG GLU 15 -21.858 -10.266 0.268 120 H GLU 16 H GLU 16 -22.604 -6.195 -0.085 121 HA GLU 16 HA GLU 16 -22.782 -4.433 -2.236 122 1HB GLU 16 2HB GLU 16 -23.750 -2.840 -0.632 123 2HB GLU 16 1HB GLU 16 -24.422 -4.454 -0.439 124 1HG GLU 16 2HG GLU 16 -22.958 -4.838 1.477 125 2HG GLU 16 1HG GLU 16 -22.282 -3.221 1.283 126 H MET 17 H MET 17 -20.618 -4.394 0.572 127 HA MET 17 HA MET 17 -19.484 -1.878 0.110 128 1HB MET 17 2HB MET 17 -18.260 -4.316 1.393 129 2HB MET 17 1HB MET 17 -17.572 -2.700 1.463 130 1HG MET 17 2HG MET 17 -19.580 -1.909 2.623 131 2HG MET 17 1HG MET 17 -20.235 -3.545 2.581 132 1HE MET 17 1HE MET 17 -19.670 -3.470 6.212 133 2HE MET 17 2HE MET 17 -20.651 -2.775 4.921 134 3HE MET 17 3HE MET 17 -19.410 -1.800 5.709 135 H GLN 18 H GLN 18 -18.325 -5.083 -0.906 136 HA GLN 18 HA GLN 18 -16.084 -4.144 -2.310 137 1HB GLN 18 2HB GLN 18 -16.210 -6.345 -3.521 138 2HB GLN 18 1HB GLN 18 -16.169 -6.455 -1.769 139 1HG GLN 18 2HG GLN 18 -18.614 -6.754 -1.767 140 2HG GLN 18 1HG GLN 18 -18.590 -6.741 -3.529 141 1HE2 GLN 18 1HE2 GLN 18 -18.441 -8.627 -0.799 142 2HE2 GLN 18 2HE2 GLN 18 -17.862 -10.087 -1.509 143 H GLN 19 H GLN 19 -19.431 -4.590 -3.285 144 HA GLN 19 HA GLN 19 -19.081 -4.207 -6.047 145 1HB GLN 19 2HB GLN 19 -21.162 -5.081 -5.087 146 2HB GLN 19 1HB GLN 19 -21.466 -3.532 -4.311 147 1HG GLN 19 2HG GLN 19 -21.657 -2.468 -6.499 148 2HG GLN 19 1HG GLN 19 -21.343 -4.017 -7.280 149 1HE2 GLN 19 1HE2 GLN 19 -23.705 -1.932 -6.497 150 2HE2 GLN 19 2HE2 GLN 19 -25.049 -3.012 -6.393 151 H ASP 20 H ASP 20 -19.622 -1.937 -3.401 152 HA ASP 20 HA ASP 20 -19.824 0.375 -5.034 153 1HB ASP 20 2HB ASP 20 -20.683 0.320 -2.727 154 2HB ASP 20 1HB ASP 20 -19.040 0.139 -2.118 155 H SER 21 H SER 21 -17.149 -1.270 -3.459 156 HA SER 21 HA SER 21 -15.214 0.739 -3.983 157 1HB SER 21 2HB SER 21 -14.841 -2.232 -3.513 158 2HB SER 21 1HB SER 21 -13.555 -1.026 -3.480 159 HG SER 21 HG SER 21 -14.212 -1.346 -1.388 160 H VAL 22 H VAL 22 -16.227 -2.188 -5.693 161 HA VAL 22 HA VAL 22 -14.311 -2.024 -7.763 162 HB VAL 22 HB VAL 22 -17.055 -3.287 -7.869 163 1HG1 VAL 22 1HG1 VAL 22 -16.555 -4.118 -9.883 164 2HG1 VAL 22 2HG1 VAL 22 -14.899 -4.500 -9.415 165 3HG1 VAL 22 3HG1 VAL 22 -15.311 -2.870 -9.944 166 1HG2 VAL 22 1HG2 VAL 22 -15.124 -3.943 -6.100 167 2HG2 VAL 22 2HG2 VAL 22 -14.675 -4.970 -7.462 168 3HG2 VAL 22 3HG2 VAL 22 -16.288 -5.092 -6.759 169 H GLU 23 H GLU 23 -17.655 -0.891 -7.505 170 HA GLU 23 HA GLU 23 -17.764 0.223 -10.109 171 1HB GLU 23 2HB GLU 23 -19.792 -0.359 -8.906 172 2HB GLU 23 1HB GLU 23 -19.395 0.779 -7.626 173 1HG GLU 23 2HG GLU 23 -21.102 1.678 -9.073 174 2HG GLU 23 1HG GLU 23 -19.622 2.626 -9.194 175 H CYS 24 H CYS 24 -17.035 1.497 -6.910 176 HA CYS 24 HA CYS 24 -16.775 4.207 -7.645 177 1HB CYS 24 2HB CYS 24 -17.032 3.461 -5.311 178 2HB CYS 24 1HB CYS 24 -15.438 2.716 -5.375 179 HG CYS 24 HG CYS 24 -15.923 5.509 -4.606 180 H ALA 25 H ALA 25 -14.548 1.495 -7.715 181 HA ALA 25 HA ALA 25 -12.192 3.011 -8.166 182 1HB ALA 25 1HB ALA 25 -12.960 0.157 -8.273 183 2HB ALA 25 2HB ALA 25 -11.567 0.931 -7.516 184 3HB ALA 25 3HB ALA 25 -11.574 0.632 -9.254 185 H THR 26 H THR 26 -14.605 1.479 -10.214 186 HA THR 26 HA THR 26 -13.358 1.829 -12.675 187 HB THR 26 HB THR 26 -16.311 1.856 -12.038 188 HG1 THR 26 1HG THR 26 -16.158 -0.351 -12.607 189 1HG2 THR 26 1HG2 THR 26 -15.000 2.252 -14.529 190 2HG2 THR 26 2HG2 THR 26 -16.726 2.151 -14.183 191 3HG2 THR 26 3HG2 THR 26 -15.812 0.688 -14.548 192 H GLN 27 H GLN 27 -15.540 3.937 -10.877 193 HA GLN 27 HA GLN 27 -15.722 6.011 -12.753 194 1HB GLN 27 2HB GLN 27 -15.812 6.189 -9.732 195 2HB GLN 27 1HB GLN 27 -16.368 7.430 -10.844 196 1HG GLN 27 2HG GLN 27 -18.069 5.908 -11.703 197 2HG GLN 27 1HG GLN 27 -17.509 4.657 -10.595 198 1HE2 GLN 27 1HE2 GLN 27 -18.734 4.444 -8.879 199 2HE2 GLN 27 2HE2 GLN 27 -19.610 5.703 -8.081 200 H ALA 28 H ALA 28 -13.416 5.382 -10.149 201 HA ALA 28 HA ALA 28 -11.924 7.706 -10.191 202 1HB ALA 28 1HB ALA 28 -10.430 5.158 -9.975 203 2HB ALA 28 2HB ALA 28 -11.740 5.426 -8.828 204 3HB ALA 28 3HB ALA 28 -10.411 6.578 -8.931 205 H LEU 29 H LEU 29 -11.557 4.805 -12.213 206 HA LEU 29 HA LEU 29 -9.316 5.637 -13.651 207 1HB LEU 29 2HB LEU 29 -11.585 3.816 -14.400 208 2HB LEU 29 1HB LEU 29 -10.178 4.056 -15.422 209 HG LEU 29 HG LEU 29 -9.961 3.123 -12.577 210 1HD1 LEU 29 1HD1 LEU 29 -10.712 1.638 -15.012 211 2HD1 LEU 29 2HD1 LEU 29 -11.024 1.268 -13.316 212 3HD1 LEU 29 3HD1 LEU 29 -9.449 0.905 -14.024 213 1HD2 LEU 29 1HD2 LEU 29 -7.753 2.626 -13.063 214 2HD2 LEU 29 2HD2 LEU 29 -8.011 4.142 -13.926 215 3HD2 LEU 29 3HD2 LEU 29 -8.033 2.612 -14.804 216 H GLU 30 H GLU 30 -12.747 5.883 -14.503 217 HA GLU 30 HA GLU 30 -12.376 7.330 -16.889 218 1HB GLU 30 2HB GLU 30 -14.768 7.282 -15.039 219 2HB GLU 30 1HB GLU 30 -14.772 7.888 -16.690 220 1HG GLU 30 2HG GLU 30 -14.215 5.660 -17.514 221 2HG GLU 30 1HG GLU 30 -14.202 5.051 -15.860 222 H LYS 31 H LYS 31 -12.571 8.313 -13.548 223 HA LYS 31 HA LYS 31 -12.905 11.099 -14.131 224 1HB LYS 31 2HB LYS 31 -12.290 9.604 -11.590 225 2HB LYS 31 1HB LYS 31 -12.411 11.356 -11.659 226 1HG LYS 31 2HG LYS 31 -14.720 11.177 -12.423 227 2HG LYS 31 1HG LYS 31 -14.602 9.417 -12.376 228 1HD LYS 31 2HD LYS 31 -14.199 9.495 -9.972 229 2HD LYS 31 1HD LYS 31 -14.264 11.258 -10.009 230 1HE LYS 31 2HE LYS 31 -16.587 11.160 -10.760 231 2HE LYS 31 1HE LYS 31 -16.523 9.398 -10.743 232 1HZ LYS 31 1HZ LYS 31 -16.854 11.248 -8.557 233 2HZ LYS 31 2HZ LYS 31 -15.725 10.027 -8.250 234 3HZ LYS 31 3HZ LYS 31 -17.311 9.623 -8.679 235 H TYR 32 H TYR 32 -10.189 8.990 -13.319 236 HA TYR 32 HA TYR 32 -8.409 11.129 -14.190 237 1HB TYR 32 2HB TYR 32 -7.990 9.692 -11.567 238 2HB TYR 32 1HB TYR 32 -6.964 10.948 -12.250 239 HD1 TYR 32 1HD TYR 32 -8.392 13.183 -12.865 240 HD2 TYR 32 2HD TYR 32 -9.371 10.337 -9.857 241 HE1 TYR 32 1HE TYR 32 -9.708 14.892 -11.684 242 HE2 TYR 32 2HE TYR 32 -10.691 12.036 -8.669 243 HH TYR 32 HH TYR 32 -10.734 14.566 -8.525 244 H ASN 33 H ASN 33 -8.375 7.815 -12.846 245 HA ASN 33 HA ASN 33 -7.261 5.933 -13.489 246 1HB ASN 33 2HB ASN 33 -8.327 6.264 -15.662 247 2HB ASN 33 1HB ASN 33 -7.066 7.393 -16.137 248 1HD2 ASN 33 1HD2 ASN 33 -5.670 6.551 -17.485 249 2HD2 ASN 33 2HD2 ASN 33 -5.144 4.906 -17.523 250 H ILE 34 H ILE 34 -5.873 8.151 -12.247 251 HA ILE 34 HA ILE 34 -3.197 7.991 -13.433 252 HB ILE 34 HB ILE 34 -4.148 9.762 -11.173 253 1HG1 ILE 34 2HG1 ILE 34 -5.321 10.272 -13.274 254 2HG1 ILE 34 1HG1 ILE 34 -4.207 11.565 -12.832 255 1HG2 ILE 34 1HG2 ILE 34 -2.026 11.033 -12.206 256 2HG2 ILE 34 2HG2 ILE 34 -1.558 9.367 -12.541 257 3HG2 ILE 34 3HG2 ILE 34 -1.905 9.869 -10.887 258 1HD1 ILE 34 1HD1 ILE 34 -3.278 11.408 -14.822 259 2HD1 ILE 34 2HD1 ILE 34 -4.337 10.058 -15.231 260 3HD1 ILE 34 3HD1 ILE 34 -2.784 9.757 -14.448 261 H GLU 35 H GLU 35 -4.527 5.833 -11.877 262 HA GLU 35 HA GLU 35 -4.041 4.298 -10.262 263 1HB GLU 35 2HB GLU 35 -1.280 5.507 -10.516 264 2HB GLU 35 1HB GLU 35 -1.649 3.980 -9.727 265 1HG GLU 35 2HG GLU 35 -2.449 3.076 -11.849 266 2HG GLU 35 1HG GLU 35 -2.077 4.606 -12.640 267 H LYS 36 H LYS 36 -1.975 7.045 -9.365 268 HA LYS 36 HA LYS 36 -2.290 6.834 -6.601 269 1HB LYS 36 2HB LYS 36 -0.490 8.105 -7.630 270 2HB LYS 36 1HB LYS 36 -1.646 9.224 -8.330 271 1HG LYS 36 2HG LYS 36 -2.323 9.805 -5.967 272 2HG LYS 36 1HG LYS 36 -0.910 8.891 -5.441 273 1HD LYS 36 2HD LYS 36 -0.264 11.174 -5.540 274 2HD LYS 36 1HD LYS 36 0.474 10.372 -6.924 275 1HE LYS 36 2HE LYS 36 -2.152 11.814 -7.130 276 2HE LYS 36 1HE LYS 36 -0.613 12.650 -7.319 277 1HZ LYS 36 1HZ LYS 36 -1.994 10.920 -9.149 278 2HZ LYS 36 2HZ LYS 36 -0.361 10.516 -8.968 279 3HZ LYS 36 3HZ LYS 36 -0.797 12.077 -9.450 280 H ASP 37 H ASP 37 -3.860 9.106 -8.870 281 HA ASP 37 HA ASP 37 -5.487 10.418 -7.046 282 1HB ASP 37 2HB ASP 37 -6.072 9.799 -9.948 283 2HB ASP 37 1HB ASP 37 -6.899 11.016 -8.980 284 H ILE 38 H ILE 38 -6.005 7.342 -8.641 285 HA ILE 38 HA ILE 38 -8.726 7.003 -8.165 286 HB ILE 38 HB ILE 38 -6.514 4.962 -8.355 287 1HG1 ILE 38 2HG1 ILE 38 -7.596 4.523 -10.575 288 2HG1 ILE 38 1HG1 ILE 38 -8.649 5.901 -10.280 289 1HG2 ILE 38 1HG2 ILE 38 -9.481 4.446 -8.284 290 2HG2 ILE 38 2HG2 ILE 38 -8.319 3.987 -7.041 291 3HG2 ILE 38 3HG2 ILE 38 -8.238 3.250 -8.641 292 1HD1 ILE 38 1HD1 ILE 38 -6.973 7.421 -10.596 293 2HD1 ILE 38 2HD1 ILE 38 -6.488 6.144 -11.713 294 3HD1 ILE 38 3HD1 ILE 38 -5.708 6.282 -10.139 295 H ALA 39 H ALA 39 -6.050 5.685 -6.209 296 HA ALA 39 HA ALA 39 -7.666 4.749 -4.119 297 1HB ALA 39 1HB ALA 39 -5.558 4.655 -2.816 298 2HB ALA 39 2HB ALA 39 -4.752 5.511 -4.131 299 3HB ALA 39 3HB ALA 39 -5.438 3.911 -4.411 300 H ALA 40 H ALA 40 -6.423 7.926 -4.788 301 HA ALA 40 HA ALA 40 -6.549 8.981 -2.175 302 1HB ALA 40 1HB ALA 40 -5.456 9.921 -4.340 303 2HB ALA 40 2HB ALA 40 -6.085 11.027 -3.118 304 3HB ALA 40 3HB ALA 40 -7.025 10.693 -4.572 305 H HIS 41 H HIS 41 -8.801 9.595 -4.880 306 HA HIS 41 HA HIS 41 -10.736 10.829 -3.254 307 1HB HIS 41 2HB HIS 41 -11.898 11.166 -5.180 308 2HB HIS 41 1HB HIS 41 -10.359 10.713 -5.902 309 HD1 HIS 41 1HD HIS 41 -13.643 9.086 -4.924 310 HD2 HIS 41 2HD HIS 41 -10.532 8.625 -7.638 311 HE1 HIS 41 1HE HIS 41 -14.363 7.234 -6.457 312 HE2 HIS 41 2HE HIS 41 -12.568 7.129 -8.212 313 H ILE 42 H ILE 42 -10.578 7.506 -4.536 314 HA ILE 42 HA ILE 42 -13.022 6.596 -3.581 315 HB ILE 42 HB ILE 42 -10.465 5.004 -3.840 316 1HG1 ILE 42 2HG1 ILE 42 -12.733 5.363 -5.801 317 2HG1 ILE 42 1HG1 ILE 42 -11.182 6.188 -5.904 318 1HG2 ILE 42 1HG2 ILE 42 -11.829 3.593 -2.632 319 2HG2 ILE 42 2HG2 ILE 42 -12.257 3.165 -4.289 320 3HG2 ILE 42 3HG2 ILE 42 -13.306 4.232 -3.355 321 1HD1 ILE 42 1HD1 ILE 42 -11.723 3.250 -6.168 322 2HD1 ILE 42 2HD1 ILE 42 -10.102 3.932 -6.009 323 3HD1 ILE 42 3HD1 ILE 42 -11.108 4.359 -7.391 324 H LYS 43 H LYS 43 -9.853 6.514 -1.943 325 HA LYS 43 HA LYS 43 -10.696 5.205 0.377 326 1HB LYS 43 2HB LYS 43 -8.329 5.572 -0.199 327 2HB LYS 43 1HB LYS 43 -8.526 7.292 0.107 328 1HG LYS 43 2HG LYS 43 -9.105 6.765 2.455 329 2HG LYS 43 1HG LYS 43 -8.765 5.066 2.120 330 1HD LYS 43 2HD LYS 43 -6.839 6.086 3.162 331 2HD LYS 43 1HD LYS 43 -6.459 5.689 1.486 332 1HE LYS 43 2HE LYS 43 -5.612 7.899 2.092 333 2HE LYS 43 1HE LYS 43 -6.843 8.006 0.835 334 1HZ LYS 43 1HZ LYS 43 -7.890 8.205 3.512 335 2HZ LYS 43 2HZ LYS 43 -8.186 9.176 2.159 336 3HZ LYS 43 3HZ LYS 43 -6.818 9.451 3.113 337 H LYS 44 H LYS 44 -10.413 8.699 -0.257 338 HA LYS 44 HA LYS 44 -11.272 9.616 2.218 339 1HB LYS 44 2HB LYS 44 -11.676 10.853 -0.510 340 2HB LYS 44 1HB LYS 44 -11.907 11.699 1.015 341 1HG LYS 44 2HG LYS 44 -9.587 11.506 1.553 342 2HG LYS 44 1HG LYS 44 -9.305 10.445 0.174 343 1HD LYS 44 2HD LYS 44 -8.542 12.732 -0.271 344 2HD LYS 44 1HD LYS 44 -9.852 12.259 -1.356 345 1HE LYS 44 2HE LYS 44 -10.154 14.538 -0.534 346 2HE LYS 44 1HE LYS 44 -11.447 13.477 0.023 347 1HZ LYS 44 1HZ LYS 44 -10.452 13.354 2.170 348 2HZ LYS 44 2HZ LYS 44 -10.554 14.990 1.753 349 3HZ LYS 44 3HZ LYS 44 -9.070 14.184 1.655 350 H GLU 45 H GLU 45 -13.226 8.807 -0.637 351 HA GLU 45 HA GLU 45 -15.695 9.650 0.346 352 1HB GLU 45 2HB GLU 45 -15.040 7.385 -1.543 353 2HB GLU 45 1HB GLU 45 -16.669 7.979 -1.248 354 1HG GLU 45 2HG GLU 45 -16.039 10.169 -2.099 355 2HG GLU 45 1HG GLU 45 -14.394 9.599 -2.370 356 H PHE 46 H PHE 46 -14.136 6.460 0.617 357 HA PHE 46 HA PHE 46 -16.253 5.264 2.050 358 1HB PHE 46 2HB PHE 46 -13.355 4.557 1.708 359 2HB PHE 46 1HB PHE 46 -14.413 3.611 2.748 360 HD1 PHE 46 1HD PHE 46 -16.792 3.119 1.517 361 HD2 PHE 46 2HD PHE 46 -13.027 3.683 -0.386 362 HE1 PHE 46 1HE PHE 46 -17.588 1.840 -0.425 363 HE2 PHE 46 2HE PHE 46 -13.818 2.404 -2.335 364 HZ PHE 46 HZ PHE 46 -16.103 1.480 -2.356 365 H ASP 47 H ASP 47 -13.284 6.857 3.158 366 HA ASP 47 HA ASP 47 -13.566 6.265 5.878 367 1HB ASP 47 2HB ASP 47 -12.238 8.589 4.487 368 2HB ASP 47 1HB ASP 47 -12.157 8.344 6.228 369 H LYS 48 H LYS 48 -14.814 8.974 3.989 370 HA LYS 48 HA LYS 48 -15.993 10.263 6.249 371 1HB LYS 48 2HB LYS 48 -15.272 11.579 4.355 372 2HB LYS 48 1HB LYS 48 -16.323 10.675 3.279 373 1HG LYS 48 2HG LYS 48 -17.234 12.868 3.803 374 2HG LYS 48 1HG LYS 48 -18.277 11.567 4.375 375 1HD LYS 48 2HD LYS 48 -18.209 13.190 6.103 376 2HD LYS 48 1HD LYS 48 -17.199 11.846 6.635 377 1HE LYS 48 2HE LYS 48 -16.135 14.338 5.314 378 2HE LYS 48 1HE LYS 48 -16.237 14.119 7.059 379 1HZ LYS 48 1HZ LYS 48 -14.191 13.292 6.849 380 2HZ LYS 48 2HZ LYS 48 -14.334 13.050 5.182 381 3HZ LYS 48 3HZ LYS 48 -14.937 11.895 6.258 382 H LYS 49 H LYS 49 -17.194 8.221 3.633 383 HA LYS 49 HA LYS 49 -19.931 8.450 4.436 384 1HB LYS 49 2HB LYS 49 -18.557 6.586 2.510 385 2HB LYS 49 1HB LYS 49 -20.298 6.650 2.746 386 1HG LYS 49 2HG LYS 49 -18.548 8.884 1.741 387 2HG LYS 49 1HG LYS 49 -19.670 7.909 0.786 388 1HD LYS 49 2HD LYS 49 -21.532 8.750 2.142 389 2HD LYS 49 1HD LYS 49 -20.402 9.738 3.068 390 1HE LYS 49 2HE LYS 49 -19.797 10.955 1.033 391 2HE LYS 49 1HE LYS 49 -20.925 9.966 0.105 392 1HZ LYS 49 1HZ LYS 49 -21.788 11.612 2.410 393 2HZ LYS 49 2HZ LYS 49 -22.751 10.913 1.208 394 3HZ LYS 49 3HZ LYS 49 -21.744 12.219 0.832 395 H TYR 50 H TYR 50 -17.864 5.592 4.237 396 HA TYR 50 HA TYR 50 -19.575 4.127 6.012 397 1HB TYR 50 2HB TYR 50 -16.954 3.411 4.701 398 2HB TYR 50 1HB TYR 50 -17.895 2.301 5.694 399 HD1 TYR 50 1HD TYR 50 -18.603 4.674 2.882 400 HD2 TYR 50 2HD TYR 50 -19.122 0.770 4.488 401 HE1 TYR 50 1HE TYR 50 -19.946 4.065 0.928 402 HE2 TYR 50 2HE TYR 50 -20.467 0.142 2.527 403 HH TYR 50 HH TYR 50 -21.893 2.158 0.552 404 H ASN 51 H ASN 51 -16.841 6.120 6.438 405 HA ASN 51 HA ASN 51 -16.076 6.914 8.494 406 1HB ASN 51 2HB ASN 51 -16.961 4.278 9.688 407 2HB ASN 51 1HB ASN 51 -16.303 5.646 10.568 408 1HD2 ASN 51 1HD2 ASN 51 -18.051 7.190 8.370 409 2HD2 ASN 51 2HD2 ASN 51 -19.582 7.253 9.158 410 HA PRO 52 HA PRO 52 -12.060 5.306 7.769 411 1HB PRO 52 2HB PRO 52 -10.822 6.124 10.097 412 2HB PRO 52 1HB PRO 52 -11.107 7.160 8.694 413 1HG PRO 52 2HG PRO 52 -12.690 6.911 11.220 414 2HG PRO 52 1HG PRO 52 -12.253 8.370 10.310 415 1HD PRO 52 2HD PRO 52 -14.705 7.302 10.138 416 2HD PRO 52 1HD PRO 52 -13.911 8.028 8.724 417 H THR 53 H THR 53 -10.870 2.638 9.852 418 HA THR 53 HA THR 53 -10.289 4.942 8.122 419 HB THR 53 HB THR 53 -8.939 4.856 10.187 420 HG1 THR 53 1HG THR 53 -7.377 4.246 7.904 421 1HG2 THR 53 1HG2 THR 53 -7.914 3.056 10.955 422 2HG2 THR 53 2HG2 THR 53 -7.185 2.718 9.386 423 3HG2 THR 53 3HG2 THR 53 -8.806 2.128 9.749 424 H TRP 54 H TRP 54 -10.380 4.394 6.072 425 HA TRP 54 HA TRP 54 -9.880 1.669 5.232 426 1HB TRP 54 2HB TRP 54 -10.736 4.077 3.631 427 2HB TRP 54 1HB TRP 54 -10.669 2.417 3.039 428 HD1 TRP 54 HD TRP 54 -12.352 4.206 6.045 429 HE1 TRP 54 1HE TRP 54 -14.720 3.256 6.296 430 HE3 TRP 54 3HE TRP 54 -12.249 0.806 2.231 431 HZ2 TRP 54 2HZ TRP 54 -16.347 1.310 5.032 432 HZ3 TRP 54 3HZ TRP 54 -14.254 -0.562 1.817 433 HH2 TRP 54 HH TRP 54 -16.258 -0.316 3.191 434 H HIS 55 H HIS 55 -8.206 0.933 4.159 435 HA HIS 55 HA HIS 55 -6.044 2.812 3.487 436 1HB HIS 55 2HB HIS 55 -5.772 -0.170 3.899 437 2HB HIS 55 1HB HIS 55 -4.496 1.046 3.898 438 HD1 HIS 55 1HD HIS 55 -5.129 2.993 5.935 439 HD2 HIS 55 2HD HIS 55 -6.283 -0.963 6.422 440 HE1 HIS 55 1HE HIS 55 -5.451 2.688 8.409 441 HE2 HIS 55 2HE HIS 55 -6.043 0.257 8.689 442 H CYS 56 H CYS 56 -5.430 2.951 1.360 443 HA CYS 56 HA CYS 56 -6.378 0.852 -0.462 444 1HB CYS 56 2HB CYS 56 -8.024 2.668 -0.515 445 2HB CYS 56 1HB CYS 56 -6.749 3.813 -0.920 446 HG CYS 56 HG CYS 56 -8.267 2.224 -2.897 447 H ILE 57 H ILE 57 -5.230 0.539 -2.324 448 HA ILE 57 HA ILE 57 -2.924 2.181 -2.947 449 HB ILE 57 HB ILE 57 -2.588 -0.750 -2.298 450 1HG1 ILE 57 2HG1 ILE 57 -1.680 1.703 -0.773 451 2HG1 ILE 57 1HG1 ILE 57 -2.901 0.547 -0.251 452 1HG2 ILE 57 1HG2 ILE 57 -0.696 1.376 -3.261 453 2HG2 ILE 57 2HG2 ILE 57 -1.063 -0.181 -4.001 454 3HG2 ILE 57 3HG2 ILE 57 -0.139 -0.112 -2.500 455 1HD1 ILE 57 1HD1 ILE 57 -0.968 -0.005 0.940 456 2HD1 ILE 57 2HD1 ILE 57 0.058 0.153 -0.485 457 3HD1 ILE 57 3HD1 ILE 57 -1.064 -1.200 -0.353 458 H VAL 58 H VAL 58 -2.255 1.916 -5.109 459 HA VAL 58 HA VAL 58 -3.453 -0.205 -6.694 460 HB VAL 58 HB VAL 58 -3.967 2.694 -7.374 461 1HG1 VAL 58 1HG1 VAL 58 -5.411 1.742 -9.146 462 2HG1 VAL 58 2HG1 VAL 58 -4.815 0.135 -8.728 463 3HG1 VAL 58 3HG1 VAL 58 -3.705 1.352 -9.360 464 1HG2 VAL 58 1HG2 VAL 58 -6.386 1.969 -7.036 465 2HG2 VAL 58 2HG2 VAL 58 -5.411 2.204 -5.585 466 3HG2 VAL 58 3HG2 VAL 58 -5.729 0.575 -6.178 467 H GLY 59 H GLY 59 -2.228 -0.787 -8.385 468 1HA GLY 59 2HA GLY 59 -0.529 0.859 -9.877 469 2HA GLY 59 1HA GLY 59 0.427 0.127 -8.597 470 H ARG 60 H ARG 60 1.626 -1.379 -9.594 471 HA ARG 60 HA ARG 60 0.438 -3.776 -10.492 472 1HB ARG 60 2HB ARG 60 1.054 -3.701 -12.870 473 2HB ARG 60 1HB ARG 60 -0.148 -2.482 -12.467 474 1HG ARG 60 2HG ARG 60 1.598 -0.776 -12.405 475 2HG ARG 60 1HG ARG 60 2.806 -1.998 -12.802 476 1HD ARG 60 2HD ARG 60 1.669 -2.432 -14.924 477 2HD ARG 60 1HD ARG 60 0.458 -1.214 -14.526 478 HE ARG 60 HE ARG 60 2.988 -0.024 -14.394 479 1HH1 ARG 60 1HH1 ARG 60 0.817 -1.385 -16.764 480 2HH1 ARG 60 2HH1 ARG 60 1.396 -0.383 -18.053 481 1HH2 ARG 60 1HH2 ARG 60 3.751 1.292 -16.087 482 2HH2 ARG 60 2HH2 ARG 60 3.062 1.138 -17.669 483 H ASN 61 H ASN 61 2.479 -3.055 -8.702 484 HA ASN 61 HA ASN 61 4.386 -4.980 -9.084 485 1HB ASN 61 2HB ASN 61 5.163 -3.709 -11.042 486 2HB ASN 61 1HB ASN 61 5.401 -2.293 -10.033 487 1HD2 ASN 61 1HD2 ASN 61 6.215 -5.183 -8.435 488 2HD2 ASN 61 2HD2 ASN 61 7.922 -5.099 -8.665 489 H PHE 62 H PHE 62 3.691 -4.939 -6.822 490 HA PHE 62 HA PHE 62 5.619 -3.717 -5.132 491 1HB PHE 62 2HB PHE 62 4.279 -2.103 -3.956 492 2HB PHE 62 1HB PHE 62 4.228 -1.717 -5.674 493 HD1 PHE 62 1HD PHE 62 2.212 -2.921 -6.950 494 HD2 PHE 62 2HD PHE 62 2.306 -2.005 -2.800 495 HE1 PHE 62 1HE PHE 62 -0.246 -2.984 -6.889 496 HE2 PHE 62 2HE PHE 62 -0.153 -2.066 -2.728 497 HZ PHE 62 HZ PHE 62 -1.432 -2.556 -4.775 498 H GLY 63 H GLY 63 5.800 -4.845 -3.336 499 1HA GLY 63 2HA GLY 63 3.690 -6.769 -2.650 500 2HA GLY 63 1HA GLY 63 5.347 -6.798 -2.055 501 H SER 64 H SER 64 2.498 -6.637 -0.750 502 HA SER 64 HA SER 64 3.357 -4.662 1.223 503 1HB SER 64 2HB SER 64 1.137 -3.600 1.286 504 2HB SER 64 1HB SER 64 1.915 -3.407 -0.284 505 HG SER 64 HG SER 64 -0.434 -4.186 -0.049 506 H TYR 65 H TYR 65 2.596 -4.871 3.249 507 HA TYR 65 HA TYR 65 0.948 -7.221 3.898 508 1HB TYR 65 2HB TYR 65 3.345 -7.678 4.378 509 2HB TYR 65 1HB TYR 65 3.392 -6.257 5.413 510 HD1 TYR 65 1HD TYR 65 1.457 -6.281 7.300 511 HD2 TYR 65 2HD TYR 65 3.123 -9.713 5.414 512 HE1 TYR 65 1HE TYR 65 0.774 -7.658 9.216 513 HE2 TYR 65 2HE TYR 65 2.444 -11.099 7.327 514 HH TYR 65 HH TYR 65 0.439 -9.834 9.903 515 H VAL 66 H VAL 66 -0.679 -6.782 5.322 516 HA VAL 66 HA VAL 66 -0.605 -4.427 7.023 517 HB VAL 66 HB VAL 66 -2.771 -4.709 4.937 518 1HG1 VAL 66 1HG1 VAL 66 -2.215 -2.720 7.099 519 2HG1 VAL 66 2HG1 VAL 66 -3.720 -3.549 6.705 520 3HG1 VAL 66 3HG1 VAL 66 -3.123 -2.256 5.664 521 1HG2 VAL 66 1HG2 VAL 66 -0.765 -4.125 3.771 522 2HG2 VAL 66 2HG2 VAL 66 -0.361 -2.899 4.974 523 3HG2 VAL 66 3HG2 VAL 66 -1.750 -2.671 3.913 524 H THR 67 H THR 67 -2.709 -4.242 8.295 525 HA THR 67 HA THR 67 -3.854 -6.914 8.780 526 HB THR 67 HB THR 67 -3.296 -4.706 10.775 527 HG1 THR 67 1HG THR 67 -1.534 -6.129 9.984 528 1HG2 THR 67 1HG2 THR 67 -3.822 -7.124 12.093 529 2HG2 THR 67 2HG2 THR 67 -5.143 -6.871 10.953 530 3HG2 THR 67 3HG2 THR 67 -4.757 -5.628 12.144 531 H HIS 68 H HIS 68 -6.081 -7.049 9.211 532 HA HIS 68 HA HIS 68 -7.710 -4.663 9.260 533 1HB HIS 68 2HB HIS 68 -8.899 -5.222 7.151 534 2HB HIS 68 1HB HIS 68 -7.208 -4.791 6.886 535 HD1 HIS 68 1HD HIS 68 -9.450 -7.827 7.048 536 HD2 HIS 68 2HD HIS 68 -5.664 -6.744 5.728 537 HE1 HIS 68 1HE HIS 68 -8.564 -9.836 5.831 538 HE2 HIS 68 2HE HIS 68 -6.232 -9.198 5.138 539 H GLU 69 H GLU 69 -9.750 -5.041 10.013 540 HA GLU 69 HA GLU 69 -10.279 -7.545 11.272 541 1HB GLU 69 2HB GLU 69 -12.370 -6.517 11.991 542 2HB GLU 69 1HB GLU 69 -11.032 -5.397 12.217 543 1HG GLU 69 2HG GLU 69 -11.655 -4.205 10.203 544 2HG GLU 69 1HG GLU 69 -12.953 -5.359 9.902 545 H THR 70 H THR 70 -11.990 -9.006 10.844 546 HA THR 70 HA THR 70 -12.352 -9.694 8.163 547 HB THR 70 HB THR 70 -14.097 -11.249 8.990 548 HG1 THR 70 1HG THR 70 -14.827 -9.751 10.669 549 1HG2 THR 70 1HG2 THR 70 -11.376 -11.188 9.871 550 2HG2 THR 70 2HG2 THR 70 -12.394 -12.570 9.464 551 3HG2 THR 70 3HG2 THR 70 -12.403 -11.919 11.104 552 H LYS 71 H LYS 71 -14.190 -9.662 6.813 553 HA LYS 71 HA LYS 71 -15.977 -8.709 5.774 554 1HB LYS 71 2HB LYS 71 -16.788 -7.861 8.558 555 2HB LYS 71 1HB LYS 71 -17.823 -7.865 7.140 556 1HG LYS 71 2HG LYS 71 -16.577 -10.314 8.373 557 2HG LYS 71 1HG LYS 71 -18.230 -9.765 8.648 558 1HD LYS 71 2HD LYS 71 -18.534 -11.346 6.999 559 2HD LYS 71 1HD LYS 71 -18.399 -9.868 6.047 560 1HE LYS 71 2HE LYS 71 -17.089 -11.728 5.105 561 2HE LYS 71 1HE LYS 71 -16.080 -10.361 5.552 562 1HZ LYS 71 1HZ LYS 71 -16.492 -12.618 7.408 563 2HZ LYS 71 2HZ LYS 71 -15.238 -11.484 7.384 564 3HZ LYS 71 3HZ LYS 71 -15.308 -12.688 6.201 565 H HIS 72 H HIS 72 -13.572 -7.288 5.952 566 HA HIS 72 HA HIS 72 -14.469 -4.676 5.226 567 1HB HIS 72 2HB HIS 72 -12.939 -5.040 7.803 568 2HB HIS 72 1HB HIS 72 -12.944 -3.519 6.920 569 HD1 HIS 72 1HD HIS 72 -15.622 -2.744 6.364 570 HD2 HIS 72 2HD HIS 72 -14.831 -5.054 9.726 571 HE1 HIS 72 1HE HIS 72 -17.595 -2.414 7.886 572 HE2 HIS 72 2HE HIS 72 -17.120 -3.865 9.891 573 H PHE 73 H PHE 73 -13.258 -6.395 3.631 574 HA PHE 73 HA PHE 73 -10.829 -5.063 2.944 575 1HB PHE 73 2HB PHE 73 -9.876 -6.537 4.601 576 2HB PHE 73 1HB PHE 73 -10.688 -7.928 3.893 577 HD1 PHE 73 1HD PHE 73 -10.067 -8.491 1.440 578 HD2 PHE 73 2HD PHE 73 -7.702 -6.042 3.992 579 HE1 PHE 73 1HE PHE 73 -8.106 -8.910 0.014 580 HE2 PHE 73 2HE PHE 73 -5.737 -6.456 2.572 581 HZ PHE 73 HZ PHE 73 -5.936 -7.891 0.581 582 H ILE 74 H ILE 74 -10.152 -5.461 0.836 583 HA ILE 74 HA ILE 74 -11.287 -7.545 -0.757 584 HB ILE 74 HB ILE 74 -13.249 -6.135 -0.707 585 1HG1 ILE 74 2HG1 ILE 74 -11.760 -5.909 -3.336 586 2HG1 ILE 74 1HG1 ILE 74 -12.754 -7.267 -2.820 587 1HG2 ILE 74 1HG2 ILE 74 -11.272 -4.007 -1.016 588 2HG2 ILE 74 2HG2 ILE 74 -12.882 -3.968 -0.298 589 3HG2 ILE 74 3HG2 ILE 74 -12.693 -3.816 -2.044 590 1HD1 ILE 74 1HD1 ILE 74 -14.344 -6.264 -4.015 591 2HD1 ILE 74 2HD1 ILE 74 -13.524 -4.703 -3.983 592 3HD1 ILE 74 3HD1 ILE 74 -14.506 -5.210 -2.612 593 H TYR 75 H TYR 75 -10.211 -7.844 -2.633 594 HA TYR 75 HA TYR 75 -8.341 -5.789 -3.565 595 1HB TYR 75 2HB TYR 75 -7.077 -7.354 -2.114 596 2HB TYR 75 1HB TYR 75 -7.610 -8.696 -3.118 597 HD1 TYR 75 1HD TYR 75 -6.058 -5.337 -3.709 598 HD2 TYR 75 2HD TYR 75 -5.978 -9.515 -4.512 599 HE1 TYR 75 1HE TYR 75 -4.092 -5.017 -5.153 600 HE2 TYR 75 2HE TYR 75 -4.013 -9.206 -5.958 601 HH TYR 75 HH TYR 75 -2.072 -6.698 -5.907 602 H PHE 76 H PHE 76 -8.379 -5.595 -5.762 603 HA PHE 76 HA PHE 76 -9.088 -7.817 -7.450 604 1HB PHE 76 2HB PHE 76 -11.115 -6.786 -8.391 605 2HB PHE 76 1HB PHE 76 -11.305 -7.128 -6.676 606 HD1 PHE 76 1HD PHE 76 -10.319 -4.370 -8.979 607 HD2 PHE 76 2HD PHE 76 -12.140 -5.483 -5.297 608 HE1 PHE 76 1HE PHE 76 -10.963 -2.028 -8.593 609 HE2 PHE 76 2HE PHE 76 -12.788 -3.141 -4.908 610 HZ PHE 76 HZ PHE 76 -12.199 -1.410 -6.556 611 H TYR 77 H TYR 77 -8.469 -7.548 -9.541 612 HA TYR 77 HA TYR 77 -6.748 -5.321 -10.124 613 1HB TYR 77 2HB TYR 77 -7.595 -7.713 -11.769 614 2HB TYR 77 1HB TYR 77 -6.463 -6.492 -12.337 615 HD1 TYR 77 1HD TYR 77 -6.924 -8.612 -9.280 616 HD2 TYR 77 2HD TYR 77 -4.242 -7.052 -12.191 617 HE1 TYR 77 1HE TYR 77 -5.073 -9.832 -8.220 618 HE2 TYR 77 2HE TYR 77 -2.384 -8.271 -11.140 619 HH TYR 77 HH TYR 77 -2.185 -9.264 -8.340 620 H LEU 78 H LEU 78 -7.018 -3.812 -11.829 621 HA LEU 78 HA LEU 78 -9.365 -3.699 -13.421 622 1HB LEU 78 2HB LEU 78 -10.369 -3.111 -11.267 623 2HB LEU 78 1HB LEU 78 -9.224 -1.803 -11.081 624 HG LEU 78 HG LEU 78 -10.184 -0.628 -12.972 625 1HD1 LEU 78 1HD1 LEU 78 -12.551 -1.858 -13.591 626 2HD1 LEU 78 2HD1 LEU 78 -11.436 -3.218 -13.456 627 3HD1 LEU 78 3HD1 LEU 78 -11.086 -1.898 -14.572 628 1HD2 LEU 78 1HD2 LEU 78 -12.673 -1.307 -11.574 629 2HD2 LEU 78 2HD2 LEU 78 -11.856 0.246 -11.753 630 3HD2 LEU 78 3HD2 LEU 78 -11.321 -0.894 -10.519 631 H GLY 79 H GLY 79 -9.182 -2.247 -15.062 632 1HA GLY 79 2HA GLY 79 -8.118 -0.820 -16.513 633 2HA GLY 79 1HA GLY 79 -7.762 0.139 -15.084 634 H GLN 80 H GLN 80 -6.643 -3.110 -15.894 635 HA GLN 80 HA GLN 80 -4.566 -3.998 -16.075 636 1HB GLN 80 2HB GLN 80 -3.918 -1.273 -17.210 637 2HB GLN 80 1HB GLN 80 -2.899 -2.699 -17.350 638 1HG GLN 80 2HG GLN 80 -4.646 -3.827 -18.627 639 2HG GLN 80 1HG GLN 80 -5.673 -2.400 -18.482 640 1HE2 GLN 80 1HE2 GLN 80 -5.698 -1.197 -20.225 641 2HE2 GLN 80 2HE2 GLN 80 -4.395 -0.976 -21.337 642 H VAL 81 H VAL 81 -5.265 -2.821 -13.580 643 HA VAL 81 HA VAL 81 -2.642 -2.633 -12.414 644 HB VAL 81 HB VAL 81 -3.037 -0.493 -11.242 645 1HG1 VAL 81 1HG1 VAL 81 -3.205 -0.041 -14.209 646 2HG1 VAL 81 2HG1 VAL 81 -1.766 -0.696 -13.427 647 3HG1 VAL 81 3HG1 VAL 81 -2.346 0.915 -13.001 648 1HG2 VAL 81 1HG2 VAL 81 -4.785 1.011 -11.906 649 2HG2 VAL 81 2HG2 VAL 81 -5.516 -0.530 -11.459 650 3HG2 VAL 81 3HG2 VAL 81 -5.329 -0.103 -13.160 651 H ALA 82 H ALA 82 -2.647 -3.471 -10.409 652 HA ALA 82 HA ALA 82 -5.059 -4.607 -9.390 653 1HB ALA 82 1HB ALA 82 -2.835 -4.567 -7.518 654 2HB ALA 82 2HB ALA 82 -2.374 -5.153 -9.118 655 3HB ALA 82 3HB ALA 82 -3.688 -5.932 -8.237 656 H ILE 83 H ILE 83 -6.437 -3.850 -7.922 657 HA ILE 83 HA ILE 83 -5.715 -1.373 -6.504 658 HB ILE 83 HB ILE 83 -8.460 -2.356 -7.301 659 1HG1 ILE 83 2HG1 ILE 83 -6.772 -0.046 -8.288 660 2HG1 ILE 83 1HG1 ILE 83 -7.195 -1.495 -9.196 661 1HG2 ILE 83 1HG2 ILE 83 -8.520 -1.183 -5.163 662 2HG2 ILE 83 2HG2 ILE 83 -9.280 -0.219 -6.431 663 3HG2 ILE 83 3HG2 ILE 83 -7.654 0.178 -5.874 664 1HD1 ILE 83 1HD1 ILE 83 -9.649 -0.574 -8.550 665 2HD1 ILE 83 2HD1 ILE 83 -8.796 -0.182 -10.044 666 3HD1 ILE 83 3HD1 ILE 83 -8.749 0.935 -8.680 667 H LEU 84 H LEU 84 -5.970 -1.247 -4.326 668 HA LEU 84 HA LEU 84 -7.017 -3.629 -2.946 669 1HB LEU 84 2HB LEU 84 -4.559 -3.616 -2.918 670 2HB LEU 84 1HB LEU 84 -4.576 -2.020 -2.194 671 HG LEU 84 HG LEU 84 -5.649 -2.937 -0.185 672 1HD1 LEU 84 1HD1 LEU 84 -6.892 -4.767 -1.087 673 2HD1 LEU 84 2HD1 LEU 84 -5.728 -5.419 0.063 674 3HD1 LEU 84 3HD1 LEU 84 -5.423 -5.549 -1.669 675 1HD2 LEU 84 1HD2 LEU 84 -3.431 -2.906 0.256 676 2HD2 LEU 84 2HD2 LEU 84 -3.019 -3.843 -1.180 677 3HD2 LEU 84 3HD2 LEU 84 -3.641 -4.656 0.256 678 H LEU 85 H LEU 85 -8.213 -3.272 -1.105 679 HA LEU 85 HA LEU 85 -8.345 -0.659 0.104 680 1HB LEU 85 2HB LEU 85 -9.808 -0.345 -1.823 681 2HB LEU 85 1HB LEU 85 -10.734 -1.764 -1.371 682 HG LEU 85 HG LEU 85 -11.457 -0.632 0.693 683 1HD1 LEU 85 1HD1 LEU 85 -9.505 1.366 -0.240 684 2HD1 LEU 85 2HD1 LEU 85 -10.013 0.946 1.396 685 3HD1 LEU 85 3HD1 LEU 85 -11.016 2.006 0.406 686 1HD2 LEU 85 1HD2 LEU 85 -12.097 1.330 -1.433 687 2HD2 LEU 85 2HD2 LEU 85 -13.165 0.466 -0.327 688 3HD2 LEU 85 3HD2 LEU 85 -12.501 -0.359 -1.736 689 H PHE 86 H PHE 86 -9.055 -0.732 2.171 690 HA PHE 86 HA PHE 86 -10.828 -2.553 3.292 691 1HB PHE 86 2HB PHE 86 -9.298 -4.044 4.546 692 2HB PHE 86 1HB PHE 86 -9.208 -4.292 2.810 693 HD1 PHE 86 1HD PHE 86 -7.498 -2.442 5.559 694 HD2 PHE 86 2HD PHE 86 -7.163 -4.374 1.782 695 HE1 PHE 86 1HE PHE 86 -5.056 -2.166 5.635 696 HE2 PHE 86 2HE PHE 86 -4.721 -4.101 1.855 697 HZ PHE 86 HZ PHE 86 -3.665 -2.996 3.784 698 H LYS 87 H LYS 87 -11.460 -1.755 5.206 699 HA LYS 87 HA LYS 87 -9.880 0.422 6.311 700 1HB LYS 87 2HB LYS 87 -11.862 1.105 7.481 701 2HB LYS 87 1HB LYS 87 -12.278 0.773 5.812 702 1HG LYS 87 2HG LYS 87 -14.018 -0.240 6.865 703 2HG LYS 87 1HG LYS 87 -12.889 -1.592 6.766 704 1HD LYS 87 2HD LYS 87 -13.792 -1.530 8.984 705 2HD LYS 87 1HD LYS 87 -12.109 -1.016 9.065 706 1HE LYS 87 2HE LYS 87 -12.812 1.317 9.132 707 2HE LYS 87 1HE LYS 87 -14.498 0.820 9.014 708 1HZ LYS 87 1HZ LYS 87 -13.298 1.303 11.317 709 2HZ LYS 87 2HZ LYS 87 -12.946 -0.346 11.184 710 3HZ LYS 87 3HZ LYS 87 -14.555 0.180 11.162 711 H SER 88 H SER 88 -10.010 0.688 8.752 712 HA SER 88 HA SER 88 -9.788 -1.857 10.168 713 1HB SER 88 2HB SER 88 -7.511 -1.354 9.406 714 2HB SER 88 1HB SER 88 -7.612 0.246 10.139 715 HG SER 88 HG SER 88 -6.532 -1.422 11.416 716 H GLY 89 H GLY 89 -10.521 -1.767 12.221 717 1HA GLY 89 2HA GLY 89 -10.449 0.489 13.899 718 2HA GLY 89 1HA GLY 89 -12.015 0.439 13.105 719 1H MET 1 1HT MET 1 31.788 2.520 9.641 720 2H MET 1 2HT MET 1 32.796 2.574 8.253 721 3H MET 1 3HT MET 1 33.366 1.852 9.702 722 HA MET 1 HA MET 1 32.678 0.296 7.941 723 1HB MET 1 2HB MET 1 32.889 -0.314 10.305 724 2HB MET 1 1HB MET 1 31.253 0.253 10.611 725 1HG MET 1 2HG MET 1 30.376 -1.479 9.129 726 2HG MET 1 1HG MET 1 32.017 -2.049 8.830 727 1HE MET 1 1HE MET 1 33.064 -2.224 12.498 728 2HE MET 1 2HE MET 1 33.575 -2.139 10.813 729 3HE MET 1 3HE MET 1 33.311 -3.706 11.576 730 H CYS 2 H CYS 2 31.162 -0.317 6.507 731 HA CYS 2 HA CYS 2 28.962 1.330 5.942 732 1HB CYS 2 2HB CYS 2 28.312 -0.411 4.325 733 2HB CYS 2 1HB CYS 2 30.029 -0.041 4.226 734 HG CYS 2 HG CYS 2 30.346 -2.456 4.422 735 H ASP 3 H ASP 3 26.894 1.326 6.589 736 HA ASP 3 HA ASP 3 25.426 -0.886 7.461 737 1HB ASP 3 2HB ASP 3 26.937 -0.867 9.397 738 2HB ASP 3 1HB ASP 3 26.516 0.812 9.719 739 H ARG 4 H ARG 4 23.301 -0.381 7.479 740 HA ARG 4 HA ARG 4 21.383 0.833 7.305 741 1HB ARG 4 2HB ARG 4 22.221 1.684 9.538 742 2HB ARG 4 1HB ARG 4 22.896 3.059 8.682 743 1HG ARG 4 2HG ARG 4 19.974 2.338 8.635 744 2HG ARG 4 1HG ARG 4 20.691 3.457 9.792 745 1HD ARG 4 2HD ARG 4 20.577 3.758 6.796 746 2HD ARG 4 1HD ARG 4 19.714 4.709 7.995 747 HE ARG 4 HE ARG 4 22.440 4.950 8.518 748 1HH1 ARG 4 1HH1 ARG 4 20.152 5.834 6.038 749 2HH1 ARG 4 2HH1 ARG 4 21.038 7.235 5.543 750 1HH2 ARG 4 1HH2 ARG 4 23.610 6.793 7.870 751 2HH2 ARG 4 2HH2 ARG 4 23.003 7.780 6.582 752 H LYS 5 H LYS 5 20.579 1.769 5.548 753 HA LYS 5 HA LYS 5 21.924 4.016 4.296 754 1HB LYS 5 2HB LYS 5 21.419 1.423 2.815 755 2HB LYS 5 1HB LYS 5 21.935 2.928 2.067 756 1HG LYS 5 2HG LYS 5 23.506 1.436 4.156 757 2HG LYS 5 1HG LYS 5 23.769 1.314 2.416 758 1HD LYS 5 2HD LYS 5 24.277 3.695 2.312 759 2HD LYS 5 1HD LYS 5 23.967 3.852 4.041 760 1HE LYS 5 2HE LYS 5 25.814 2.313 4.506 761 2HE LYS 5 1HE LYS 5 26.120 2.159 2.776 762 1HZ LYS 5 1HZ LYS 5 26.520 4.595 2.745 763 2HZ LYS 5 2HZ LYS 5 27.647 3.730 3.665 764 3HZ LYS 5 3HZ LYS 5 26.418 4.599 4.435 765 H ALA 6 H ALA 6 20.089 2.953 1.862 766 HA ALA 6 HA ALA 6 17.993 3.395 1.086 767 1HB ALA 6 1HB ALA 6 17.337 1.911 2.965 768 2HB ALA 6 2HB ALA 6 16.124 3.128 2.573 769 3HB ALA 6 3HB ALA 6 17.159 3.341 3.983 770 H VAL 7 H VAL 7 17.144 5.263 0.356 771 HA VAL 7 HA VAL 7 17.832 7.708 1.750 772 HB VAL 7 HB VAL 7 16.936 8.840 -0.228 773 1HG1 VAL 7 1HG1 VAL 7 18.748 6.662 -1.192 774 2HG1 VAL 7 2HG1 VAL 7 19.304 7.875 -0.039 775 3HG1 VAL 7 3HG1 VAL 7 18.737 8.368 -1.634 776 1HG2 VAL 7 1HG2 VAL 7 15.374 6.708 -0.628 777 2HG2 VAL 7 2HG2 VAL 7 16.676 6.332 -1.755 778 3HG2 VAL 7 3HG2 VAL 7 15.790 7.850 -1.905 779 H ILE 8 H ILE 8 16.387 9.137 2.638 780 HA ILE 8 HA ILE 8 13.645 8.114 2.951 781 HB ILE 8 HB ILE 8 15.110 10.027 4.766 782 1HG1 ILE 8 2HG1 ILE 8 14.617 7.051 4.986 783 2HG1 ILE 8 1HG1 ILE 8 16.173 7.862 4.878 784 1HG2 ILE 8 1HG2 ILE 8 12.559 8.510 5.274 785 2HG2 ILE 8 2HG2 ILE 8 12.606 10.173 4.692 786 3HG2 ILE 8 3HG2 ILE 8 13.280 9.773 6.271 787 1HD1 ILE 8 1HD1 ILE 8 15.288 9.037 7.076 788 2HD1 ILE 8 2HD1 ILE 8 16.109 7.477 7.105 789 3HD1 ILE 8 3HD1 ILE 8 14.348 7.548 7.179 790 H LYS 9 H LYS 9 11.942 9.302 2.373 791 HA LYS 9 HA LYS 9 12.455 12.005 1.326 792 1HB LYS 9 2HB LYS 9 10.207 10.118 0.593 793 2HB LYS 9 1HB LYS 9 10.538 11.676 -0.145 794 1HG LYS 9 2HG LYS 9 12.591 9.505 -0.208 795 2HG LYS 9 1HG LYS 9 11.255 9.513 -1.358 796 1HD LYS 9 2HD LYS 9 13.197 10.583 -2.333 797 2HD LYS 9 1HD LYS 9 11.920 11.772 -2.081 798 1HE LYS 9 2HE LYS 9 13.021 12.650 -0.156 799 2HE LYS 9 1HE LYS 9 14.199 11.339 -0.161 800 1HZ LYS 9 1HZ LYS 9 14.988 13.510 -1.087 801 2HZ LYS 9 2HZ LYS 9 13.925 13.283 -2.382 802 3HZ LYS 9 3HZ LYS 9 15.183 12.184 -2.122 803 H ASN 10 H ASN 10 10.320 10.021 3.276 804 HA ASN 10 HA ASN 10 9.247 12.472 4.494 805 1HB ASN 10 2HB ASN 10 7.633 10.003 3.811 806 2HB ASN 10 1HB ASN 10 7.033 11.417 4.673 807 1HD2 ASN 10 1HD2 ASN 10 7.058 9.948 1.776 808 2HD2 ASN 10 2HD2 ASN 10 6.819 11.308 0.741 809 H ALA 11 H ALA 11 8.903 12.382 6.701 810 HA ALA 11 HA ALA 11 9.312 9.871 8.106 811 1HB ALA 11 1HB ALA 11 10.997 11.252 9.609 812 2HB ALA 11 2HB ALA 11 11.277 12.094 8.085 813 3HB ALA 11 3HB ALA 11 11.537 10.353 8.191 814 H ASP 12 H ASP 12 8.327 9.789 10.063 815 HA ASP 12 HA ASP 12 7.451 12.180 11.420 816 1HB ASP 12 2HB ASP 12 5.415 10.268 10.254 817 2HB ASP 12 1HB ASP 12 5.051 11.585 11.366 818 H MET 13 H MET 13 9.184 10.495 12.445 819 HA MET 13 HA MET 13 7.879 9.493 14.769 820 1HB MET 13 2HB MET 13 8.563 7.134 14.544 821 2HB MET 13 1HB MET 13 7.371 7.601 13.340 822 1HG MET 13 2HG MET 13 9.019 7.699 11.629 823 2HG MET 13 1HG MET 13 10.325 7.517 12.799 824 1HE MET 13 1HE MET 13 7.337 4.654 11.168 825 2HE MET 13 2HE MET 13 6.991 6.147 12.040 826 3HE MET 13 3HE MET 13 7.079 4.617 12.912 827 H SER 14 H SER 14 9.330 8.934 16.428 828 HA SER 14 HA SER 14 11.598 10.402 16.708 829 1HB SER 14 2HB SER 14 11.073 7.681 17.923 830 2HB SER 14 1HB SER 14 12.268 8.841 18.507 831 HG SER 14 HG SER 14 10.444 10.318 18.758 832 H GLU 15 H GLU 15 13.803 10.117 16.470 833 HA GLU 15 HA GLU 15 14.795 9.022 14.180 834 1HB GLU 15 2HB GLU 15 16.271 9.326 16.792 835 2HB GLU 15 1HB GLU 15 17.024 9.137 15.216 836 1HG GLU 15 2HG GLU 15 15.281 11.434 16.076 837 2HG GLU 15 1HG GLU 15 17.039 11.457 15.932 838 H GLU 16 H GLU 16 14.589 7.446 17.327 839 HA GLU 16 HA GLU 16 15.960 5.102 16.618 840 1HB GLU 16 2HB GLU 16 14.890 4.095 18.591 841 2HB GLU 16 1HB GLU 16 15.547 5.688 18.944 842 1HG GLU 16 2HG GLU 16 13.313 6.654 18.752 843 2HG GLU 16 1HG GLU 16 12.655 5.056 18.398 844 H MET 17 H MET 17 12.523 5.929 16.450 845 HA MET 17 HA MET 17 11.653 3.363 15.658 846 1HB MET 17 2HB MET 17 10.377 6.045 15.095 847 2HB MET 17 1HB MET 17 9.583 4.483 14.965 848 1HG MET 17 2HG MET 17 9.869 4.131 17.359 849 2HG MET 17 1HG MET 17 10.676 5.692 17.494 850 1HE MET 17 1HE MET 17 7.246 3.866 16.722 851 2HE MET 17 2HE MET 17 7.634 4.745 15.242 852 3HE MET 17 3HE MET 17 6.261 5.242 16.228 853 H GLN 18 H GLN 18 12.437 6.265 13.782 854 HA GLN 18 HA GLN 18 11.888 5.115 11.274 855 1HB GLN 18 2HB GLN 18 13.284 6.994 10.370 856 2HB GLN 18 1HB GLN 18 11.958 7.484 11.413 857 1HG GLN 18 2HG GLN 18 13.574 7.693 13.277 858 2HG GLN 18 1HG GLN 18 14.871 7.334 12.139 859 1HE2 GLN 18 1HE2 GLN 18 13.062 9.732 13.564 860 2HE2 GLN 18 2HE2 GLN 18 13.463 11.037 12.508 861 H GLN 19 H GLN 19 14.845 5.231 13.212 862 HA GLN 19 HA GLN 19 16.478 4.129 11.145 863 1HB GLN 19 2HB GLN 19 18.172 3.835 12.859 864 2HB GLN 19 1HB GLN 19 17.432 5.422 13.012 865 1HG GLN 19 2HG GLN 19 16.059 4.612 14.845 866 2HG GLN 19 1HG GLN 19 16.780 3.013 14.690 867 1HE2 GLN 19 1HE2 GLN 19 18.273 2.619 16.145 868 2HE2 GLN 19 2HE2 GLN 19 19.346 3.773 16.854 869 H ASP 20 H ASP 20 14.659 2.789 13.854 870 HA ASP 20 HA ASP 20 15.612 0.138 13.607 871 1HB ASP 20 2HB ASP 20 14.427 0.986 15.614 872 2HB ASP 20 1HB ASP 20 12.938 1.073 14.674 873 H SER 21 H SER 21 12.931 1.857 12.099 874 HA SER 21 HA SER 21 11.784 -0.414 10.867 875 1HB SER 21 2HB SER 21 10.541 1.691 11.077 876 2HB SER 21 1HB SER 21 11.696 2.494 10.011 877 HG SER 21 HG SER 21 9.721 1.752 8.982 878 H VAL 22 H VAL 22 14.188 1.946 9.796 879 HA VAL 22 HA VAL 22 14.525 0.887 7.197 880 HB VAL 22 HB VAL 22 16.540 2.414 8.856 881 1HG1 VAL 22 1HG1 VAL 22 17.883 2.507 7.071 882 2HG1 VAL 22 2HG1 VAL 22 16.541 2.772 5.957 883 3HG1 VAL 22 3HG1 VAL 22 16.952 1.135 6.469 884 1HG2 VAL 22 1HG2 VAL 22 14.988 3.794 6.766 885 2HG2 VAL 22 2HG2 VAL 22 15.507 4.356 8.355 886 3HG2 VAL 22 3HG2 VAL 22 14.086 3.324 8.205 887 H GLU 23 H GLU 23 16.234 0.353 10.246 888 HA GLU 23 HA GLU 23 18.153 -1.439 9.227 889 1HB GLU 23 2HB GLU 23 17.050 -1.092 12.015 890 2HB GLU 23 1HB GLU 23 18.391 -2.161 11.627 891 1HG GLU 23 2HG GLU 23 19.698 -0.270 10.844 892 2HG GLU 23 1HG GLU 23 18.351 0.815 11.177 893 H CYS 24 H CYS 24 14.999 -1.951 10.755 894 HA CYS 24 HA CYS 24 15.078 -4.762 10.746 895 1HB CYS 24 2HB CYS 24 12.744 -2.850 10.674 896 2HB CYS 24 1HB CYS 24 12.556 -4.593 10.825 897 HG CYS 24 HG CYS 24 14.271 -3.257 12.997 898 H ALA 25 H ALA 25 14.123 -2.449 8.273 899 HA ALA 25 HA ALA 25 13.007 -4.357 6.488 900 1HB ALA 25 1HB ALA 25 14.194 -1.897 5.363 901 2HB ALA 25 2HB ALA 25 12.944 -1.671 6.585 902 3HB ALA 25 3HB ALA 25 12.592 -2.596 5.125 903 H THR 26 H THR 26 16.183 -2.959 6.983 904 HA THR 26 HA THR 26 17.431 -3.959 4.697 905 HB THR 26 HB THR 26 18.617 -3.410 7.419 906 HG1 THR 26 1HG THR 26 18.446 -1.404 6.885 907 1HG2 THR 26 1HG2 THR 26 20.739 -3.164 6.376 908 2HG2 THR 26 2HG2 THR 26 20.045 -3.422 4.776 909 3HG2 THR 26 3HG2 THR 26 20.101 -4.748 5.937 910 H GLN 27 H GLN 27 17.051 -5.318 7.927 911 HA GLN 27 HA GLN 27 18.566 -7.646 7.554 912 1HB GLN 27 2HB GLN 27 16.145 -7.212 9.316 913 2HB GLN 27 1HB GLN 27 17.258 -8.567 9.444 914 1HG GLN 27 2HG GLN 27 19.075 -7.029 9.985 915 2HG GLN 27 1HG GLN 27 17.962 -5.669 9.853 916 1HE2 GLN 27 1HE2 GLN 27 19.476 -7.596 11.984 917 2HE2 GLN 27 2HE2 GLN 27 18.383 -7.501 13.318 918 H ALA 28 H ALA 28 15.119 -6.996 7.044 919 HA ALA 28 HA ALA 28 14.301 -9.561 6.351 920 1HB ALA 28 1HB ALA 28 13.322 -6.831 5.613 921 2HB ALA 28 2HB ALA 28 12.565 -8.053 6.636 922 3HB ALA 28 3HB ALA 28 12.595 -8.263 4.884 923 H LEU 29 H LEU 29 15.751 -7.031 4.341 924 HA LEU 29 HA LEU 29 15.499 -8.376 1.885 925 1HB LEU 29 2HB LEU 29 17.352 -6.230 2.862 926 2HB LEU 29 1HB LEU 29 17.483 -6.884 1.238 927 HG LEU 29 HG LEU 29 14.940 -5.694 2.313 928 1HD1 LEU 29 1HD1 LEU 29 16.564 -4.173 0.376 929 2HD1 LEU 29 2HD1 LEU 29 17.181 -4.228 2.027 930 3HD1 LEU 29 3HD1 LEU 29 15.562 -3.605 1.711 931 1HD2 LEU 29 1HD2 LEU 29 15.900 -6.272 -0.486 932 2HD2 LEU 29 2HD2 LEU 29 14.357 -5.533 -0.053 933 3HD2 LEU 29 3HD2 LEU 29 14.699 -7.200 0.412 934 H GLU 30 H GLU 30 18.277 -8.117 4.075 935 HA GLU 30 HA GLU 30 19.910 -9.908 2.612 936 1HB GLU 30 2HB GLU 30 20.074 -9.082 5.516 937 2HB GLU 30 1HB GLU 30 21.344 -9.908 4.620 938 1HG GLU 30 2HG GLU 30 21.533 -7.997 3.116 939 2HG GLU 30 1HG GLU 30 20.253 -7.170 4.002 940 H LYS 31 H LYS 31 17.487 -10.368 5.071 941 HA LYS 31 HA LYS 31 18.290 -13.100 5.581 942 1HB LYS 31 2HB LYS 31 16.002 -11.434 6.624 943 2HB LYS 31 1HB LYS 31 16.286 -13.107 7.089 944 1HG LYS 31 2HG LYS 31 18.447 -12.500 8.022 945 2HG LYS 31 1HG LYS 31 18.206 -10.826 7.521 946 1HD LYS 31 2HD LYS 31 16.246 -10.671 8.977 947 2HD LYS 31 1HD LYS 31 16.475 -12.351 9.469 948 1HE LYS 31 2HE LYS 31 18.659 -11.777 10.411 949 2HE LYS 31 1HE LYS 31 18.433 -10.100 9.916 950 1HZ LYS 31 1HZ LYS 31 17.898 -10.661 12.304 951 2HZ LYS 31 2HZ LYS 31 16.536 -11.476 11.723 952 3HZ LYS 31 3HZ LYS 31 16.705 -9.815 11.454 953 H TYR 32 H TYR 32 16.147 -11.480 3.409 954 HA TYR 32 HA TYR 32 15.194 -14.093 2.537 955 1HB TYR 32 2HB TYR 32 13.307 -11.825 3.172 956 2HB TYR 32 1HB TYR 32 12.854 -13.384 2.487 957 HD1 TYR 32 1HD TYR 32 13.721 -15.463 3.944 958 HD2 TYR 32 2HD TYR 32 13.019 -11.543 5.436 959 HE1 TYR 32 1HE TYR 32 13.467 -16.379 6.213 960 HE2 TYR 32 2HE TYR 32 12.758 -12.445 7.708 961 HH TYR 32 HH TYR 32 13.389 -14.395 8.998 962 H ASN 33 H ASN 33 15.310 -10.614 1.866 963 HA ASN 33 HA ASN 33 15.595 -9.476 -0.091 964 1HB ASN 33 2HB ASN 33 16.083 -12.227 -1.261 965 2HB ASN 33 1HB ASN 33 16.307 -10.717 -2.132 966 1HD2 ASN 33 1HD2 ASN 33 17.843 -13.061 -0.436 967 2HD2 ASN 33 2HD2 ASN 33 19.257 -12.192 0.044 968 H ILE 34 H ILE 34 13.044 -9.842 0.724 969 HA ILE 34 HA ILE 34 11.623 -10.016 -1.832 970 HB ILE 34 HB ILE 34 10.657 -11.404 0.674 971 1HG1 ILE 34 2HG1 ILE 34 11.638 -12.538 -1.957 972 2HG1 ILE 34 1HG1 ILE 34 12.488 -12.622 -0.418 973 1HG2 ILE 34 1HG2 ILE 34 8.843 -12.233 -0.781 974 2HG2 ILE 34 2HG2 ILE 34 9.440 -11.198 -2.078 975 3HG2 ILE 34 3HG2 ILE 34 8.817 -10.478 -0.593 976 1HD1 ILE 34 1HD1 ILE 34 11.192 -14.297 0.359 977 2HD1 ILE 34 2HD1 ILE 34 10.991 -14.605 -1.366 978 3HD1 ILE 34 3HD1 ILE 34 9.750 -13.721 -0.478 979 H GLU 35 H GLU 35 10.374 -8.299 -2.116 980 HA GLU 35 HA GLU 35 10.191 -6.166 -0.366 981 1HB GLU 35 2HB GLU 35 8.250 -6.924 -2.557 982 2HB GLU 35 1HB GLU 35 8.394 -5.332 -1.826 983 1HG GLU 35 2HG GLU 35 10.615 -5.073 -2.708 984 2HG GLU 35 1HG GLU 35 10.601 -6.725 -3.323 985 H LYS 36 H LYS 36 7.691 -8.611 -1.034 986 HA LYS 36 HA LYS 36 5.747 -7.681 0.729 987 1HB LYS 36 2HB LYS 36 5.306 -9.390 -0.952 988 2HB LYS 36 1HB LYS 36 6.367 -10.515 -0.117 989 1HG LYS 36 2HG LYS 36 4.817 -10.357 1.851 990 2HG LYS 36 1HG LYS 36 3.712 -9.454 0.812 991 1HD LYS 36 2HD LYS 36 3.070 -11.778 0.834 992 2HD LYS 36 1HD LYS 36 3.697 -11.356 -0.759 993 1HE LYS 36 2HE LYS 36 5.838 -12.366 -0.206 994 2HE LYS 36 1HE LYS 36 5.260 -12.740 1.416 995 1HZ LYS 36 1HZ LYS 36 5.197 -14.588 -0.299 996 2HZ LYS 36 2HZ LYS 36 3.892 -13.768 -0.995 997 3HZ LYS 36 3HZ LYS 36 3.783 -14.332 0.595 998 H ASP 37 H ASP 37 8.122 -10.262 1.269 999 HA ASP 37 HA ASP 37 7.547 -10.917 3.869 1000 1HB ASP 37 2HB ASP 37 10.275 -10.797 2.572 1001 2HB ASP 37 1HB ASP 37 9.890 -11.680 4.045 1002 H ILE 38 H ILE 38 9.666 -8.292 2.754 1003 HA ILE 38 HA ILE 38 10.773 -7.486 5.143 1004 HB ILE 38 HB ILE 38 9.854 -5.771 2.835 1005 1HG1 ILE 38 2HG1 ILE 38 12.624 -6.718 3.586 1006 2HG1 ILE 38 1HG1 ILE 38 11.602 -7.515 2.398 1007 1HG2 ILE 38 1HG2 ILE 38 11.612 -5.042 5.172 1008 2HG2 ILE 38 2HG2 ILE 38 10.039 -4.352 4.771 1009 3HG2 ILE 38 3HG2 ILE 38 11.421 -4.068 3.714 1010 1HD1 ILE 38 1HD1 ILE 38 12.776 -6.222 0.982 1011 2HD1 ILE 38 2HD1 ILE 38 13.128 -5.006 2.210 1012 3HD1 ILE 38 3HD1 ILE 38 11.553 -5.031 1.417 1013 H ALA 39 H ALA 39 7.647 -6.471 3.792 1014 HA ALA 39 HA ALA 39 6.954 -4.702 5.854 1015 1HB ALA 39 1HB ALA 39 5.101 -6.284 4.079 1016 2HB ALA 39 2HB ALA 39 5.857 -4.748 3.657 1017 3HB ALA 39 3HB ALA 39 4.698 -4.823 4.982 1018 H ALA 40 H ALA 40 6.407 -8.172 5.486 1019 HA ALA 40 HA ALA 40 4.645 -8.478 7.663 1020 1HB ALA 40 1HB ALA 40 6.513 -10.642 6.774 1021 2HB ALA 40 2HB ALA 40 5.183 -10.107 5.746 1022 3HB ALA 40 3HB ALA 40 4.850 -10.770 7.348 1023 H HIS 41 H HIS 41 8.171 -8.964 7.461 1024 HA HIS 41 HA HIS 41 8.510 -9.771 10.132 1025 1HB HIS 41 2HB HIS 41 10.532 -8.391 8.363 1026 2HB HIS 41 1HB HIS 41 10.876 -9.383 9.776 1027 HD1 HIS 41 1HD HIS 41 9.489 -11.912 9.387 1028 HD2 HIS 41 2HD HIS 41 11.085 -9.833 6.161 1029 HE1 HIS 41 1HE HIS 41 9.754 -13.616 7.555 1030 HE2 HIS 41 2HE HIS 41 10.687 -12.331 5.602 1031 H ILE 42 H ILE 42 9.120 -6.589 8.643 1032 HA ILE 42 HA ILE 42 9.844 -5.249 10.982 1033 HB ILE 42 HB ILE 42 8.476 -4.111 8.542 1034 1HG1 ILE 42 2HG1 ILE 42 11.406 -4.409 9.233 1035 2HG1 ILE 42 1HG1 ILE 42 10.539 -5.280 7.971 1036 1HG2 ILE 42 1HG2 ILE 42 8.361 -2.601 10.455 1037 2HG2 ILE 42 2HG2 ILE 42 9.451 -1.978 9.217 1038 3HG2 ILE 42 3HG2 ILE 42 10.107 -2.734 10.670 1039 1HD1 ILE 42 1HD1 ILE 42 10.114 -2.571 7.445 1040 2HD1 ILE 42 2HD1 ILE 42 11.146 -3.693 6.560 1041 3HD1 ILE 42 3HD1 ILE 42 11.819 -2.721 7.869 1042 H LYS 43 H LYS 43 6.666 -5.579 9.451 1043 HA LYS 43 HA LYS 43 5.219 -3.915 11.140 1044 1HB LYS 43 2HB LYS 43 4.301 -4.718 9.063 1045 2HB LYS 43 1HB LYS 43 4.366 -6.380 9.623 1046 1HG LYS 43 2HG LYS 43 2.739 -4.414 11.154 1047 2HG LYS 43 1HG LYS 43 2.121 -5.036 9.622 1048 1HD LYS 43 2HD LYS 43 2.371 -7.325 10.454 1049 2HD LYS 43 1HD LYS 43 2.986 -6.708 11.983 1050 1HE LYS 43 2HE LYS 43 0.856 -5.539 12.351 1051 2HE LYS 43 1HE LYS 43 0.247 -6.197 10.834 1052 1HZ LYS 43 1HZ LYS 43 0.963 -8.436 12.013 1053 2HZ LYS 43 2HZ LYS 43 -0.562 -7.745 12.250 1054 3HZ LYS 43 3HZ LYS 43 0.655 -7.519 13.401 1055 H LYS 44 H LYS 44 5.592 -7.459 11.387 1056 HA LYS 44 HA LYS 44 4.112 -7.773 13.731 1057 1HB LYS 44 2HB LYS 44 6.411 -9.420 12.675 1058 2HB LYS 44 1HB LYS 44 5.356 -9.917 13.991 1059 1HG LYS 44 2HG LYS 44 3.438 -9.865 12.485 1060 2HG LYS 44 1HG LYS 44 4.488 -9.349 11.163 1061 1HD LYS 44 2HD LYS 44 4.709 -11.948 12.683 1062 2HD LYS 44 1HD LYS 44 4.030 -11.755 11.065 1063 1HE LYS 44 2HE LYS 44 6.201 -10.937 10.265 1064 2HE LYS 44 1HE LYS 44 6.873 -11.160 11.879 1065 1HZ LYS 44 1HZ LYS 44 7.026 -12.992 9.968 1066 2HZ LYS 44 2HZ LYS 44 5.584 -13.482 10.706 1067 3HZ LYS 44 3HZ LYS 44 7.006 -13.377 11.616 1068 H GLU 45 H GLU 45 7.633 -7.339 13.368 1069 HA GLU 45 HA GLU 45 8.350 -7.603 16.031 1070 1HB GLU 45 2HB GLU 45 9.541 -5.819 13.905 1071 2HB GLU 45 1HB GLU 45 10.295 -6.130 15.462 1072 1HG GLU 45 2HG GLU 45 10.442 -8.498 14.935 1073 2HG GLU 45 1HG GLU 45 9.650 -8.213 13.388 1074 H PHE 46 H PHE 46 7.342 -4.637 14.329 1075 HA PHE 46 HA PHE 46 7.641 -2.945 16.565 1076 1HB PHE 46 2HB PHE 46 6.140 -2.706 13.986 1077 2HB PHE 46 1HB PHE 46 5.973 -1.484 15.239 1078 HD1 PHE 46 1HD PHE 46 8.453 -0.912 16.297 1079 HD2 PHE 46 2HD PHE 46 7.581 -2.098 12.306 1080 HE1 PHE 46 1HE PHE 46 10.514 0.188 15.526 1081 HE2 PHE 46 2HE PHE 46 9.643 -0.997 11.529 1082 HZ PHE 46 HZ PHE 46 11.112 0.142 13.137 1083 H ASP 47 H ASP 47 4.842 -4.750 15.367 1084 HA ASP 47 HA ASP 47 2.910 -3.683 17.073 1085 1HB ASP 47 2HB ASP 47 3.125 -6.532 16.072 1086 2HB ASP 47 1HB ASP 47 1.678 -5.797 16.754 1087 H LYS 48 H LYS 48 5.302 -6.185 17.598 1088 HA LYS 48 HA LYS 48 4.332 -7.026 20.141 1089 1HB LYS 48 2HB LYS 48 5.978 -8.140 18.382 1090 2HB LYS 48 1HB LYS 48 7.193 -7.352 19.376 1091 1HG LYS 48 2HG LYS 48 5.169 -9.394 20.253 1092 2HG LYS 48 1HG LYS 48 6.917 -9.596 20.134 1093 1HD LYS 48 2HD LYS 48 7.252 -7.979 21.912 1094 2HD LYS 48 1HD LYS 48 5.515 -7.681 21.991 1095 1HE LYS 48 2HE LYS 48 6.216 -9.174 23.775 1096 2HE LYS 48 1HE LYS 48 5.135 -9.991 22.648 1097 1HZ LYS 48 1HZ LYS 48 7.766 -10.374 21.772 1098 2HZ LYS 48 2HZ LYS 48 6.676 -11.532 22.346 1099 3HZ LYS 48 3HZ LYS 48 7.715 -10.745 23.423 1100 H LYS 49 H LYS 49 6.846 -4.778 19.086 1101 HA LYS 49 HA LYS 49 7.652 -4.191 21.790 1102 1HB LYS 49 2HB LYS 49 8.489 -2.920 19.191 1103 2HB LYS 49 1HB LYS 49 9.249 -2.651 20.752 1104 1HG LYS 49 2HG LYS 49 9.869 -5.020 20.848 1105 2HG LYS 49 1HG LYS 49 9.128 -5.267 19.267 1106 1HD LYS 49 2HD LYS 49 11.542 -5.011 19.059 1107 2HD LYS 49 1HD LYS 49 10.703 -3.664 18.287 1108 1HE LYS 49 2HE LYS 49 11.117 -2.271 20.246 1109 2HE LYS 49 1HE LYS 49 11.923 -3.620 21.046 1110 1HZ LYS 49 1HZ LYS 49 12.893 -1.860 18.952 1111 2HZ LYS 49 2HZ LYS 49 13.305 -3.490 18.778 1112 3HZ LYS 49 3HZ LYS 49 13.742 -2.653 20.182 1113 H TYR 50 H TYR 50 6.481 -2.107 19.158 1114 HA TYR 50 HA TYR 50 5.829 -0.039 21.059 1115 1HB TYR 50 2HB TYR 50 5.567 -0.151 18.058 1116 2HB TYR 50 1HB TYR 50 5.165 1.260 19.033 1117 HD1 TYR 50 1HD TYR 50 8.007 -1.144 18.662 1118 HD2 TYR 50 2HD TYR 50 6.784 2.895 19.177 1119 HE1 TYR 50 1HE TYR 50 10.355 -0.440 18.609 1120 HE2 TYR 50 2HE TYR 50 9.134 3.618 19.118 1121 HH TYR 50 HH TYR 50 11.315 2.718 18.164 1122 H ASN 51 H ASN 51 4.113 -2.595 19.561 1123 HA ASN 51 HA ASN 51 1.978 -3.313 20.154 1124 1HB ASN 51 2HB ASN 51 1.939 -1.625 22.033 1125 2HB ASN 51 1HB ASN 51 1.294 -0.458 20.882 1126 1HD2 ASN 51 1HD2 ASN 51 -0.813 -0.276 20.835 1127 2HD2 ASN 51 2HD2 ASN 51 -1.954 -1.482 21.317 1128 HA PRO 52 HA PRO 52 0.496 -2.686 16.057 1129 1HB PRO 52 2HB PRO 52 -2.157 -3.430 16.549 1130 2HB PRO 52 1HB PRO 52 -0.840 -4.516 16.099 1131 1HG PRO 52 2HG PRO 52 -1.953 -3.900 18.798 1132 2HG PRO 52 1HG PRO 52 -1.367 -5.444 18.148 1133 1HD PRO 52 2HD PRO 52 0.118 -4.022 19.846 1134 2HD PRO 52 1HD PRO 52 0.866 -4.875 18.481 1135 H THR 53 H THR 53 -1.906 -0.077 15.535 1136 HA THR 53 HA THR 53 -0.799 -2.677 14.714 1137 HB THR 53 HB THR 53 -3.259 -2.509 14.581 1138 HG1 THR 53 1HG THR 53 -2.013 -2.578 12.036 1139 1HG2 THR 53 1HG2 THR 53 -2.762 -0.373 12.525 1140 2HG2 THR 53 2HG2 THR 53 -3.503 -0.136 14.107 1141 3HG2 THR 53 3HG2 THR 53 -4.313 -1.125 12.893 1142 H TRP 54 H TRP 54 0.784 -2.696 13.287 1143 HA TRP 54 HA TRP 54 1.465 -0.193 11.932 1144 1HB TRP 54 2HB TRP 54 3.118 -2.666 12.438 1145 2HB TRP 54 1HB TRP 54 3.686 -1.237 11.579 1146 HD1 TRP 54 HD TRP 54 2.032 -1.880 15.037 1147 HE1 TRP 54 1HE TRP 54 3.269 -0.452 16.774 1148 HE3 TRP 54 3HE TRP 54 5.398 0.402 11.939 1149 HZ2 TRP 54 2HZ TRP 54 5.396 1.415 16.823 1150 HZ3 TRP 54 3HZ TRP 54 7.001 1.997 12.914 1151 HH2 TRP 54 HH TRP 54 6.997 2.493 15.303 1152 H HIS 55 H HIS 55 1.360 0.055 9.825 1153 HA HIS 55 HA HIS 55 0.779 -2.300 8.151 1154 1HB HIS 55 2HB HIS 55 0.181 0.559 7.402 1155 2HB HIS 55 1HB HIS 55 -0.514 -0.913 6.733 1156 HD1 HIS 55 1HD HIS 55 -1.807 -2.352 8.874 1157 HD2 HIS 55 2HD HIS 55 -1.600 1.794 8.986 1158 HE1 HIS 55 1HE HIS 55 -3.643 -1.630 10.432 1159 HE2 HIS 55 2HE HIS 55 -3.573 0.889 10.391 1160 H CYS 56 H CYS 56 2.039 -2.616 6.279 1161 HA CYS 56 HA CYS 56 4.039 -0.577 5.659 1162 1HB CYS 56 2HB CYS 56 5.106 -1.990 7.356 1163 2HB CYS 56 1HB CYS 56 4.803 -3.413 6.365 1164 HG CYS 56 HG CYS 56 6.422 -2.034 4.568 1165 H ILE 57 H ILE 57 4.843 -0.608 3.627 1166 HA ILE 57 HA ILE 57 3.960 -2.725 1.797 1167 HB ILE 57 HB ILE 57 3.785 0.226 1.164 1168 1HG1 ILE 57 2HG1 ILE 57 1.299 -0.267 1.029 1169 2HG1 ILE 57 1HG1 ILE 57 1.641 -1.792 1.838 1170 1HG2 ILE 57 1HG2 ILE 57 4.154 -0.723 -0.878 1171 2HG2 ILE 57 2HG2 ILE 57 2.400 -0.878 -0.785 1172 3HG2 ILE 57 3HG2 ILE 57 3.430 -2.261 -0.420 1173 1HD1 ILE 57 1HD1 ILE 57 1.626 -0.802 3.813 1174 2HD1 ILE 57 2HD1 ILE 57 1.102 0.678 3.010 1175 3HD1 ILE 57 3HD1 ILE 57 2.818 0.385 3.285 1176 H VAL 58 H VAL 58 5.272 -2.858 -0.161 1177 HA VAL 58 HA VAL 58 7.687 -1.289 -0.312 1178 HB VAL 58 HB VAL 58 7.899 -4.259 0.208 1179 1HG1 VAL 58 1HG1 VAL 58 9.857 -2.178 -0.641 1180 2HG1 VAL 58 2HG1 VAL 58 9.687 -3.852 -1.173 1181 3HG1 VAL 58 3HG1 VAL 58 10.398 -3.493 0.401 1182 1HG2 VAL 58 1HG2 VAL 58 9.142 -3.526 2.255 1183 2HG2 VAL 58 2HG2 VAL 58 7.414 -3.175 2.276 1184 3HG2 VAL 58 3HG2 VAL 58 8.572 -1.888 1.938 1185 H GLY 59 H GLY 59 8.381 -1.138 -2.364 1186 1HA GLY 59 2HA GLY 59 8.248 -3.169 -4.301 1187 2HA GLY 59 1HA GLY 59 6.841 -2.133 -4.490 1188 H ARG 60 H ARG 60 7.304 -1.071 -6.347 1189 HA ARG 60 HA ARG 60 9.128 1.079 -6.278 1190 1HB ARG 60 2HB ARG 60 10.740 0.328 -7.979 1191 2HB ARG 60 1HB ARG 60 10.829 -0.636 -6.513 1192 1HG ARG 60 2HG ARG 60 9.504 -2.390 -7.594 1193 2HG ARG 60 1HG ARG 60 9.450 -1.426 -9.071 1194 1HD ARG 60 2HD ARG 60 11.890 -1.523 -9.220 1195 2HD ARG 60 1HD ARG 60 11.944 -2.481 -7.742 1196 HE ARG 60 HE ARG 60 10.274 -3.773 -9.580 1197 1HH1 ARG 60 1HH1 ARG 60 13.649 -2.985 -9.157 1198 2HH1 ARG 60 2HH1 ARG 60 14.209 -4.353 -10.059 1199 1HH2 ARG 60 1HH2 ARG 60 11.011 -5.573 -10.765 1200 2HH2 ARG 60 2HH2 ARG 60 12.712 -5.823 -10.971 1201 H ASN 61 H ASN 61 6.407 0.564 -6.995 1202 HA ASN 61 HA ASN 61 5.977 2.259 -9.085 1203 1HB ASN 61 2HB ASN 61 7.119 0.665 -10.560 1204 2HB ASN 61 1HB ASN 61 6.002 -0.599 -10.079 1205 1HD2 ASN 61 1HD2 ASN 61 4.517 2.455 -10.375 1206 2HD2 ASN 61 2HD2 ASN 61 3.829 2.220 -11.938 1207 H PHE 62 H PHE 62 4.396 2.625 -7.382 1208 HA PHE 62 HA PHE 62 1.836 1.597 -8.032 1209 1HB PHE 62 2HB PHE 62 1.337 0.326 -6.032 1210 2HB PHE 62 1HB PHE 62 2.748 -0.376 -6.817 1211 HD1 PHE 62 1HD PHE 62 5.046 0.664 -5.967 1212 HD2 PHE 62 2HD PHE 62 1.420 0.598 -3.756 1213 HE1 PHE 62 1HE PHE 62 6.326 0.900 -3.880 1214 HE2 PHE 62 2HE PHE 62 2.688 0.833 -1.660 1215 HZ PHE 62 HZ PHE 62 5.147 0.984 -1.719 1216 H GLY 63 H GLY 63 0.310 2.981 -7.385 1217 1HA GLY 63 2HA GLY 63 1.086 5.260 -5.748 1218 2HA GLY 63 1HA GLY 63 -0.459 5.039 -6.567 1219 H SER 64 H SER 64 0.410 5.648 -3.621 1220 HA SER 64 HA SER 64 -1.496 3.715 -2.506 1221 1HB SER 64 2HB SER 64 0.699 2.779 -2.051 1222 2HB SER 64 1HB SER 64 1.217 4.295 -1.316 1223 HG SER 64 HG SER 64 0.568 3.211 0.409 1224 H TYR 65 H TYR 65 -2.673 4.313 -0.796 1225 HA TYR 65 HA TYR 65 -2.289 6.951 0.401 1226 1HB TYR 65 2HB TYR 65 -4.713 6.012 -1.084 1227 2HB TYR 65 1HB TYR 65 -4.922 7.060 0.314 1228 HD1 TYR 65 1HD TYR 65 -2.888 6.877 -2.817 1229 HD2 TYR 65 2HD TYR 65 -4.965 9.330 -0.032 1230 HE1 TYR 65 1HE TYR 65 -2.422 8.845 -4.207 1231 HE2 TYR 65 2HE TYR 65 -4.506 11.306 -1.416 1232 HH TYR 65 HH TYR 65 -2.290 11.233 -4.043 1233 H VAL 66 H VAL 66 -2.610 6.927 2.566 1234 HA VAL 66 HA VAL 66 -4.242 4.875 3.822 1235 HB VAL 66 HB VAL 66 -1.296 5.045 4.451 1236 1HG1 VAL 66 1HG1 VAL 66 -2.208 4.264 6.394 1237 2HG1 VAL 66 2HG1 VAL 66 -2.002 2.741 5.528 1238 3HG1 VAL 66 3HG1 VAL 66 -3.579 3.519 5.578 1239 1HG2 VAL 66 1HG2 VAL 66 -1.479 4.050 2.283 1240 2HG2 VAL 66 2HG2 VAL 66 -2.805 3.014 2.808 1241 3HG2 VAL 66 3HG2 VAL 66 -1.182 2.753 3.438 1242 H THR 67 H THR 67 -4.367 5.155 6.170 1243 HA THR 67 HA THR 67 -3.792 7.932 7.015 1244 HB THR 67 HB THR 67 -6.026 6.040 7.822 1245 HG1 THR 67 1HG THR 67 -6.164 8.603 6.631 1246 1HG2 THR 67 1HG2 THR 67 -6.700 7.354 9.513 1247 2HG2 THR 67 2HG2 THR 67 -6.100 8.829 8.756 1248 3HG2 THR 67 3HG2 THR 67 -4.985 7.750 9.593 1249 H HIS 68 H HIS 68 -2.808 8.216 9.040 1250 HA HIS 68 HA HIS 68 -2.305 5.921 10.737 1251 1HB HIS 68 2HB HIS 68 0.176 6.186 10.547 1252 2HB HIS 68 1HB HIS 68 -0.595 5.587 9.079 1253 HD1 HIS 68 1HD HIS 68 0.943 8.722 10.506 1254 HD2 HIS 68 2HD HIS 68 -0.327 7.195 6.856 1255 HE1 HIS 68 1HE HIS 68 1.708 10.382 8.781 1256 HE2 HIS 68 2HE HIS 68 0.867 9.475 6.588 1257 H GLU 69 H GLU 69 -1.916 6.460 12.791 1258 HA GLU 69 HA GLU 69 -2.474 8.981 13.785 1259 1HB GLU 69 2HB GLU 69 -2.603 6.952 15.132 1260 2HB GLU 69 1HB GLU 69 -0.860 6.757 15.045 1261 1HG GLU 69 2HG GLU 69 -1.499 7.638 17.189 1262 2HG GLU 69 1HG GLU 69 -0.571 8.838 16.293 1263 H THR 70 H THR 70 -1.288 10.731 14.409 1264 HA THR 70 HA THR 70 1.019 11.409 13.038 1265 HB THR 70 HB THR 70 1.242 13.268 14.648 1266 HG1 THR 70 1HG THR 70 0.564 11.985 16.492 1267 1HG2 THR 70 1HG2 THR 70 -1.465 13.732 14.577 1268 2HG2 THR 70 2HG2 THR 70 -1.194 12.659 13.203 1269 3HG2 THR 70 3HG2 THR 70 -0.297 14.173 13.332 1270 H LYS 71 H LYS 71 3.192 11.627 13.626 1271 HA LYS 71 HA LYS 71 5.179 11.008 14.544 1272 1HB LYS 71 2HB LYS 71 3.497 10.450 16.996 1273 2HB LYS 71 1HB LYS 71 5.255 10.484 16.962 1274 1HG LYS 71 2HG LYS 71 3.434 12.804 16.354 1275 2HG LYS 71 1HG LYS 71 4.342 12.557 17.847 1276 1HD LYS 71 2HD LYS 71 6.439 12.666 16.591 1277 2HD LYS 71 1HD LYS 71 5.532 12.906 15.096 1278 1HE LYS 71 2HE LYS 71 6.384 15.023 15.961 1279 2HE LYS 71 1HE LYS 71 4.621 14.992 15.974 1280 1HZ LYS 71 1HZ LYS 71 6.087 15.745 18.055 1281 2HZ LYS 71 2HZ LYS 71 5.928 14.099 18.409 1282 3HZ LYS 71 3HZ LYS 71 4.549 15.058 18.209 1283 H HIS 72 H HIS 72 3.624 9.152 13.047 1284 HA HIS 72 HA HIS 72 5.009 6.731 13.767 1285 1HB HIS 72 2HB HIS 72 1.983 6.765 13.732 1286 2HB HIS 72 1HB HIS 72 2.974 5.313 13.779 1287 HD1 HIS 72 1HD HIS 72 2.318 8.401 15.899 1288 HD2 HIS 72 2HD HIS 72 3.557 4.456 16.286 1289 HE1 HIS 72 1HE HIS 72 2.505 7.997 18.373 1290 HE2 HIS 72 2HE HIS 72 3.345 5.630 18.579 1291 H PHE 73 H PHE 73 5.835 7.671 11.659 1292 HA PHE 73 HA PHE 73 4.936 6.077 9.519 1293 1HB PHE 73 2HB PHE 73 3.079 7.613 9.379 1294 2HB PHE 73 1HB PHE 73 4.165 8.995 9.402 1295 HD1 PHE 73 1HD PHE 73 5.866 9.149 7.447 1296 HD2 PHE 73 2HD PHE 73 2.344 6.764 7.367 1297 HE1 PHE 73 1HE PHE 73 5.946 9.123 4.987 1298 HE2 PHE 73 2HE PHE 73 2.415 6.734 4.910 1299 HZ PHE 73 HZ PHE 73 4.216 7.915 3.716 1300 H ILE 74 H ILE 74 6.315 6.121 7.740 1301 HA ILE 74 HA ILE 74 8.329 8.114 7.412 1302 HB ILE 74 HB ILE 74 9.315 7.005 9.338 1303 1HG1 ILE 74 2HG1 ILE 74 10.715 6.334 6.739 1304 2HG1 ILE 74 1HG1 ILE 74 10.838 7.849 7.628 1305 1HG2 ILE 74 1HG2 ILE 74 9.771 4.455 7.924 1306 2HG2 ILE 74 2HG2 ILE 74 8.130 4.750 8.500 1307 3HG2 ILE 74 3HG2 ILE 74 9.479 4.771 9.634 1308 1HD1 ILE 74 1HD1 ILE 74 11.585 6.031 9.512 1309 2HD1 ILE 74 2HD1 ILE 74 12.686 6.952 8.487 1310 3HD1 ILE 74 3HD1 ILE 74 12.219 5.313 8.031 1311 H TYR 75 H TYR 75 9.100 8.086 5.400 1312 HA TYR 75 HA TYR 75 8.648 5.676 3.754 1313 1HB TYR 75 2HB TYR 75 7.110 7.543 3.171 1314 2HB TYR 75 1HB TYR 75 8.508 8.563 2.848 1315 HD1 TYR 75 1HD TYR 75 10.232 7.485 1.101 1316 HD2 TYR 75 2HD TYR 75 6.096 6.519 1.377 1317 HE1 TYR 75 1HE TYR 75 10.269 6.685 -1.223 1318 HE2 TYR 75 2HE TYR 75 6.123 5.717 -0.946 1319 HH TYR 75 HH TYR 75 7.431 6.015 -2.982 1320 H PHE 76 H PHE 76 10.359 4.974 2.521 1321 HA PHE 76 HA PHE 76 12.580 6.637 1.869 1322 1HB PHE 76 2HB PHE 76 14.262 5.528 3.276 1323 2HB PHE 76 1HB PHE 76 13.049 6.363 4.242 1324 HD1 PHE 76 1HD PHE 76 10.940 4.763 4.811 1325 HD2 PHE 76 2HD PHE 76 14.923 3.481 4.043 1326 HE1 PHE 76 1HE PHE 76 10.508 2.688 6.058 1327 HE2 PHE 76 2HE PHE 76 14.499 1.403 5.288 1328 HZ PHE 76 HZ PHE 76 12.288 1.005 6.297 1329 H TYR 77 H TYR 77 13.693 5.803 0.195 1330 HA TYR 77 HA TYR 77 12.874 3.253 -0.882 1331 1HB TYR 77 2HB TYR 77 14.912 5.244 -1.895 1332 2HB TYR 77 1HB TYR 77 14.342 3.838 -2.779 1333 HD1 TYR 77 1HD TYR 77 11.706 3.726 -3.062 1334 HD2 TYR 77 2HD TYR 77 13.918 7.283 -2.332 1335 HE1 TYR 77 1HE TYR 77 9.863 5.054 -3.999 1336 HE2 TYR 77 2HE TYR 77 12.082 8.623 -3.267 1337 HH TYR 77 HH TYR 77 9.042 7.542 -3.682 1338 H LEU 78 H LEU 78 14.209 1.466 -1.254 1339 HA LEU 78 HA LEU 78 16.943 1.392 -0.436 1340 1HB LEU 78 2HB LEU 78 15.839 1.372 1.763 1341 2HB LEU 78 1HB LEU 78 14.923 -0.042 1.287 1342 HG LEU 78 HG LEU 78 16.955 -1.370 1.163 1343 1HD1 LEU 78 1HD1 LEU 78 18.813 -0.249 0.618 1344 2HD1 LEU 78 2HD1 LEU 78 18.956 0.057 2.349 1345 3HD1 LEU 78 3HD1 LEU 78 18.218 1.266 1.298 1346 1HD2 LEU 78 1HD2 LEU 78 16.128 0.036 3.606 1347 2HD2 LEU 78 2HD2 LEU 78 17.711 -0.738 3.687 1348 3HD2 LEU 78 3HD2 LEU 78 16.282 -1.691 3.284 1349 H GLY 79 H GLY 79 18.001 -0.389 -1.219 1350 1HA GLY 79 2HA GLY 79 18.353 -2.209 -2.571 1351 2HA GLY 79 1HA GLY 79 16.926 -2.886 -1.798 1352 H GLN 80 H GLN 80 17.171 -0.033 -3.864 1353 HA GLN 80 HA GLN 80 16.095 0.550 -5.776 1354 1HB GLN 80 2HB GLN 80 16.356 -2.402 -6.382 1355 2HB GLN 80 1HB GLN 80 15.992 -1.145 -7.556 1356 1HG GLN 80 2HG GLN 80 18.534 -1.400 -5.966 1357 2HG GLN 80 1HG GLN 80 18.322 -1.811 -7.668 1358 1HE2 GLN 80 1HE2 GLN 80 19.501 0.459 -5.660 1359 2HE2 GLN 80 2HE2 GLN 80 19.391 1.853 -6.675 1360 H VAL 81 H VAL 81 14.482 -0.036 -3.508 1361 HA VAL 81 HA VAL 81 11.941 -0.335 -4.826 1362 HB VAL 81 HB VAL 81 11.110 -2.135 -3.345 1363 1HG1 VAL 81 1HG1 VAL 81 12.063 -3.969 -4.559 1364 2HG1 VAL 81 2HG1 VAL 81 13.501 -3.024 -4.949 1365 3HG1 VAL 81 3HG1 VAL 81 11.940 -2.586 -5.646 1366 1HG2 VAL 81 1HG2 VAL 81 12.815 -1.817 -1.562 1367 2HG2 VAL 81 2HG2 VAL 81 14.000 -2.580 -2.621 1368 3HG2 VAL 81 3HG2 VAL 81 12.605 -3.497 -2.056 1369 H ALA 82 H ALA 82 10.459 0.904 -3.859 1370 HA ALA 82 HA ALA 82 11.188 2.540 -1.657 1371 1HB ALA 82 1HB ALA 82 9.449 2.834 -3.682 1372 2HB ALA 82 2HB ALA 82 9.385 3.786 -2.199 1373 3HB ALA 82 3HB ALA 82 8.336 2.380 -2.391 1374 H ILE 83 H ILE 83 10.489 2.555 0.442 1375 HA ILE 83 HA ILE 83 8.829 0.298 1.333 1376 HB ILE 83 HB ILE 83 11.353 1.232 2.712 1377 1HG1 ILE 83 2HG1 ILE 83 10.745 -1.350 1.251 1378 2HG1 ILE 83 1HG1 ILE 83 11.818 -0.075 0.684 1379 1HG2 ILE 83 1HG2 ILE 83 10.675 -1.133 3.864 1380 2HG2 ILE 83 2HG2 ILE 83 9.087 -0.432 3.554 1381 3HG2 ILE 83 3HG2 ILE 83 10.269 0.453 4.519 1382 1HD1 ILE 83 1HD1 ILE 83 13.353 -1.487 1.563 1383 2HD1 ILE 83 2HD1 ILE 83 12.241 -2.125 2.773 1384 3HD1 ILE 83 3HD1 ILE 83 12.990 -0.547 3.010 1385 H LEU 84 H LEU 84 7.304 0.815 2.805 1386 HA LEU 84 HA LEU 84 7.487 3.410 4.167 1387 1HB LEU 84 2HB LEU 84 6.088 3.647 2.137 1388 2HB LEU 84 1HB LEU 84 5.032 2.384 2.741 1389 HG LEU 84 HG LEU 84 4.462 3.813 4.679 1390 1HD1 LEU 84 1HD1 LEU 84 5.471 6.267 3.469 1391 2HD1 LEU 84 2HD1 LEU 84 6.744 5.192 4.040 1392 3HD1 LEU 84 3HD1 LEU 84 5.489 5.739 5.151 1393 1HD2 LEU 84 1HD2 LEU 84 4.006 4.924 1.918 1394 2HD2 LEU 84 2HD2 LEU 84 3.185 5.528 3.357 1395 3HD2 LEU 84 3HD2 LEU 84 2.953 3.856 2.845 1396 H LEU 85 H LEU 85 6.601 3.484 6.207 1397 HA LEU 85 HA LEU 85 5.088 1.193 7.184 1398 1HB LEU 85 2HB LEU 85 7.395 0.544 7.578 1399 2HB LEU 85 1HB LEU 85 7.714 2.066 8.387 1400 HG LEU 85 HG LEU 85 6.145 1.433 10.180 1401 1HD1 LEU 85 1HD1 LEU 85 5.076 -0.306 8.398 1402 2HD1 LEU 85 2HD1 LEU 85 4.832 -0.386 10.142 1403 3HD1 LEU 85 3HD1 LEU 85 6.065 -1.388 9.378 1404 1HD2 LEU 85 1HD2 LEU 85 8.179 0.872 10.966 1405 2HD2 LEU 85 2HD2 LEU 85 8.602 -0.041 9.519 1406 3HD2 LEU 85 3HD2 LEU 85 7.586 -0.774 10.758 1407 H PHE 86 H PHE 86 3.837 1.610 8.999 1408 HA PHE 86 HA PHE 86 4.038 3.868 10.652 1409 1HB PHE 86 2HB PHE 86 2.070 5.161 9.768 1410 2HB PHE 86 1HB PHE 86 3.500 5.222 8.747 1411 HD1 PHE 86 1HD PHE 86 0.341 3.287 9.159 1412 HD2 PHE 86 2HD PHE 86 3.288 4.823 6.502 1413 HE1 PHE 86 1HE PHE 86 -0.976 2.489 7.241 1414 HE2 PHE 86 2HE PHE 86 1.973 4.032 4.581 1415 HZ PHE 86 HZ PHE 86 -0.157 2.863 4.951 1416 H LYS 87 H LYS 87 2.660 3.687 12.378 1417 HA LYS 87 HA LYS 87 0.771 1.446 12.240 1418 1HB LYS 87 2HB LYS 87 1.094 1.073 14.544 1419 2HB LYS 87 1HB LYS 87 2.688 1.381 13.888 1420 1HG LYS 87 2HG LYS 87 2.805 2.661 15.752 1421 2HG LYS 87 1HG LYS 87 2.146 3.849 14.628 1422 1HD LYS 87 2HD LYS 87 0.883 3.970 16.660 1423 2HD LYS 87 1HD LYS 87 -0.138 3.231 15.428 1424 1HE LYS 87 2HE LYS 87 0.369 1.017 16.324 1425 2HE LYS 87 1HE LYS 87 1.412 1.745 17.544 1426 1HZ LYS 87 1HZ LYS 87 -0.606 1.375 18.620 1427 2HZ LYS 87 2HZ LYS 87 -1.527 1.916 17.309 1428 3HZ LYS 87 3HZ LYS 87 -0.652 3.024 18.240 1429 H SER 88 H SER 88 -1.222 1.579 13.417 1430 HA SER 88 HA SER 88 -2.222 4.328 13.710 1431 1HB SER 88 2HB SER 88 -3.091 3.340 11.633 1432 2HB SER 88 1HB SER 88 -3.707 1.959 12.545 1433 HG SER 88 HG SER 88 -5.345 3.491 12.182 1434 H GLY 89 H GLY 89 -3.337 4.756 15.519 1435 1HA GLY 89 2HA GLY 89 -4.835 2.918 17.023 1436 2HA GLY 89 1HA GLY 89 -3.225 3.016 17.720 1437 1H MET 1 1HT MET 1 -10.064 -11.243 13.121 1438 2H MET 1 2HT MET 1 -10.328 -11.766 11.511 1439 3H MET 1 3HT MET 1 -11.201 -10.428 12.134 1440 HA MET 1 HA MET 1 -9.592 -9.513 10.802 1441 1HB MET 1 2HB MET 1 -8.201 -8.306 12.410 1442 2HB MET 1 1HB MET 1 -9.839 -8.480 13.022 1443 1HG MET 1 2HG MET 1 -9.133 -10.293 14.470 1444 2HG MET 1 1HG MET 1 -7.499 -10.197 13.820 1445 1HE MET 1 1HE MET 1 -8.207 -9.831 17.185 1446 2HE MET 1 2HE MET 1 -6.739 -8.860 17.287 1447 3HE MET 1 3HE MET 1 -6.799 -10.258 16.213 1448 H LYS 2 H LYS 2 -7.705 -9.668 9.690 1449 HA LYS 2 HA LYS 2 -5.524 -11.287 10.627 1450 1HB LYS 2 2HB LYS 2 -7.215 -12.203 8.312 1451 2HB LYS 2 1HB LYS 2 -5.550 -12.723 8.530 1452 1HG LYS 2 2HG LYS 2 -6.186 -13.591 10.773 1453 2HG LYS 2 1HG LYS 2 -7.864 -13.209 10.385 1454 1HD LYS 2 2HD LYS 2 -7.821 -14.722 8.507 1455 2HD LYS 2 1HD LYS 2 -6.101 -15.032 8.755 1456 1HE LYS 2 2HE LYS 2 -8.303 -15.682 10.706 1457 2HE LYS 2 1HE LYS 2 -7.506 -16.838 9.639 1458 1HZ LYS 2 1HZ LYS 2 -6.545 -15.604 12.091 1459 2HZ LYS 2 2HZ LYS 2 -5.401 -15.794 10.859 1460 3HZ LYS 2 3HZ LYS 2 -6.231 -17.141 11.457 1461 H ASP 3 H ASP 3 -3.636 -11.061 9.451 1462 HA ASP 3 HA ASP 3 -3.384 -8.540 8.146 1463 1HB ASP 3 2HB ASP 3 -0.991 -9.176 7.909 1464 2HB ASP 3 1HB ASP 3 -1.591 -9.329 9.557 1465 H THR 4 H THR 4 -3.388 -8.039 6.047 1466 HA THR 4 HA THR 4 -3.918 -10.131 4.121 1467 HB THR 4 HB THR 4 -5.161 -8.001 4.049 1468 HG1 THR 4 1HG THR 4 -3.489 -8.331 1.786 1469 1HG2 THR 4 1HG2 THR 4 -2.816 -6.740 4.543 1470 2HG2 THR 4 2HG2 THR 4 -4.267 -5.966 3.907 1471 3HG2 THR 4 3HG2 THR 4 -2.993 -6.492 2.806 1472 H GLY 5 H GLY 5 -2.531 -10.894 2.616 1473 1HA GLY 5 2HA GLY 5 0.110 -9.586 2.418 1474 2HA GLY 5 1HA GLY 5 -0.033 -11.330 2.587 1475 H ILE 6 H ILE 6 0.514 -8.958 0.411 1476 HA ILE 6 HA ILE 6 0.061 -10.720 -1.812 1477 HB ILE 6 HB ILE 6 -1.313 -8.967 -3.068 1478 1HG1 ILE 6 2HG1 ILE 6 -2.828 -7.620 -1.624 1479 2HG1 ILE 6 1HG1 ILE 6 -1.882 -8.112 -0.224 1480 1HG2 ILE 6 1HG2 ILE 6 -3.306 -10.056 -2.553 1481 2HG2 ILE 6 2HG2 ILE 6 -2.861 -10.273 -0.860 1482 3HG2 ILE 6 3HG2 ILE 6 -2.065 -11.229 -2.109 1483 1HD1 ILE 6 1HD1 ILE 6 -0.140 -6.756 -0.754 1484 2HD1 ILE 6 2HD1 ILE 6 -1.469 -5.822 -1.441 1485 3HD1 ILE 6 3HD1 ILE 6 -0.463 -6.826 -2.486 1486 H GLN 7 H GLN 7 0.954 -9.945 -3.797 1487 HA GLN 7 HA GLN 7 2.368 -7.428 -3.795 1488 1HB GLN 7 2HB GLN 7 4.580 -8.438 -4.205 1489 2HB GLN 7 1HB GLN 7 3.965 -8.827 -2.604 1490 1HG GLN 7 2HG GLN 7 3.274 -11.032 -3.416 1491 2HG GLN 7 1HG GLN 7 3.926 -10.641 -5.004 1492 1HE2 GLN 7 1HE2 GLN 7 4.550 -12.289 -2.285 1493 2HE2 GLN 7 2HE2 GLN 7 6.278 -12.284 -2.309 1494 H VAL 8 H VAL 8 2.050 -6.614 -5.734 1495 HA VAL 8 HA VAL 8 1.291 -8.298 -7.950 1496 HB VAL 8 HB VAL 8 1.749 -5.310 -7.917 1497 1HG1 VAL 8 1HG1 VAL 8 0.663 -7.225 -9.924 1498 2HG1 VAL 8 2HG1 VAL 8 1.719 -5.832 -10.152 1499 3HG1 VAL 8 3HG1 VAL 8 -0.001 -5.594 -9.849 1500 1HG2 VAL 8 1HG2 VAL 8 -0.992 -6.403 -7.934 1501 2HG2 VAL 8 2HG2 VAL 8 -0.345 -4.968 -7.138 1502 3HG2 VAL 8 3HG2 VAL 8 -0.104 -6.561 -6.419 1503 H ASP 9 H ASP 9 2.523 -8.910 -9.626 1504 HA ASP 9 HA ASP 9 5.157 -7.668 -10.000 1505 1HB ASP 9 1HB ASP 9 6.142 -9.934 -10.371 1506 2HB ASP 9 2HB ASP 9 4.629 -10.643 -9.822 1507 H ARG 10 H ARG 10 2.857 -7.169 -11.498 1508 HA ARG 10 HA ARG 10 2.589 -8.778 -13.793 1509 1HB ARG 10 2HB ARG 10 2.018 -5.830 -13.452 1510 2HB ARG 10 1HB ARG 10 1.453 -6.826 -14.785 1511 1HG ARG 10 2HG ARG 10 0.734 -7.267 -11.895 1512 2HG ARG 10 1HG ARG 10 -0.267 -6.409 -13.064 1513 1HD ARG 10 2HD ARG 10 -1.094 -8.639 -12.914 1514 2HD ARG 10 1HD ARG 10 -0.270 -8.481 -14.463 1515 HE ARG 10 HE ARG 10 1.126 -10.145 -13.796 1516 1HH1 ARG 10 1HH1 ARG 10 -0.222 -8.664 -10.938 1517 2HH1 ARG 10 2HH1 ARG 10 0.596 -9.730 -9.848 1518 1HH2 ARG 10 1HH2 ARG 10 2.195 -11.556 -12.363 1519 2HH2 ARG 10 2HH2 ARG 10 1.963 -11.375 -10.656 1520 H ASP 11 H ASP 11 3.661 -8.875 -15.671 1521 HA ASP 11 HA ASP 11 6.119 -7.337 -15.905 1522 1HB ASP 11 2HB ASP 11 6.652 -8.885 -17.748 1523 2HB ASP 11 1HB ASP 11 6.245 -9.748 -16.269 1524 H LEU 12 H LEU 12 3.881 -5.742 -16.223 1525 HA LEU 12 HA LEU 12 3.281 -5.433 -19.026 1526 1HB LEU 12 2HB LEU 12 2.618 -3.678 -16.659 1527 2HB LEU 12 1HB LEU 12 1.992 -3.459 -18.282 1528 HG LEU 12 HG LEU 12 1.466 -5.835 -16.496 1529 1HD1 LEU 12 1HD1 LEU 12 -0.922 -4.884 -16.782 1530 2HD1 LEU 12 2HD1 LEU 12 -0.094 -3.381 -17.191 1531 3HD1 LEU 12 3HD1 LEU 12 0.168 -4.133 -15.617 1532 1HD2 LEU 12 1HD2 LEU 12 -0.349 -6.039 -18.449 1533 2HD2 LEU 12 2HD2 LEU 12 1.224 -6.832 -18.514 1534 3HD2 LEU 12 3HD2 LEU 12 0.970 -5.306 -19.362 1535 H ASP 13 H ASP 13 5.977 -5.286 -18.843 1536 HA ASP 13 HA ASP 13 6.978 -2.654 -18.470 1537 1HB ASP 13 2HB ASP 13 9.029 -3.510 -19.530 1538 2HB ASP 13 1HB ASP 13 8.435 -4.605 -18.284 1539 H GLY 14 H GLY 14 7.398 -1.047 -19.907 1540 1HA GLY 14 2HA GLY 14 7.150 -1.367 -22.739 1541 2HA GLY 14 1HA GLY 14 5.742 -0.573 -22.045 1542 H LYS 15 H LYS 15 6.758 1.024 -20.137 1543 HA LYS 15 HA LYS 15 8.155 3.033 -21.702 1544 1HB LYS 15 2HB LYS 15 7.034 3.149 -18.893 1545 2HB LYS 15 1HB LYS 15 7.692 4.515 -19.783 1546 1HG LYS 15 2HG LYS 15 5.924 4.289 -21.449 1547 2HG LYS 15 1HG LYS 15 5.266 2.912 -20.564 1548 1HD LYS 15 2HD LYS 15 4.867 4.351 -18.623 1549 2HD LYS 15 1HD LYS 15 5.527 5.727 -19.510 1550 1HE LYS 15 2HE LYS 15 3.087 5.745 -19.547 1551 2HE LYS 15 1HE LYS 15 3.745 5.521 -21.167 1552 1HZ LYS 15 1HZ LYS 15 1.895 4.033 -20.761 1553 2HZ LYS 15 2HZ LYS 15 2.679 3.371 -19.418 1554 3HZ LYS 15 3HZ LYS 15 3.321 3.147 -20.967 1555 H SER 16 H SER 16 9.872 1.045 -21.426 1556 HA SER 16 HA SER 16 12.024 0.599 -20.843 1557 1HB SER 16 2HB SER 16 12.398 3.039 -20.889 1558 2HB SER 16 1HB SER 16 11.864 3.147 -19.212 1559 HG SER 16 HG SER 16 14.011 1.491 -20.014 1560 H HIS 17 H HIS 17 10.486 2.028 -17.947 1561 HA HIS 17 HA HIS 17 11.524 -0.143 -16.323 1562 1HB HIS 17 2HB HIS 17 9.821 2.237 -15.548 1563 2HB HIS 17 1HB HIS 17 10.571 1.105 -14.428 1564 HD1 HIS 17 1HD HIS 17 11.786 3.357 -17.257 1565 HD2 HIS 17 2HD HIS 17 12.887 2.092 -13.456 1566 HE1 HIS 17 1HE HIS 17 13.929 4.566 -16.740 1567 HE2 HIS 17 2HE HIS 17 14.533 3.847 -14.403 1568 H LYS 18 H LYS 18 10.377 -1.839 -15.585 1569 HA LYS 18 HA LYS 18 8.032 -2.676 -16.785 1570 1HB LYS 18 2HB LYS 18 9.035 -3.434 -14.035 1571 2HB LYS 18 1HB LYS 18 7.866 -4.340 -14.986 1572 1HG LYS 18 2HG LYS 18 9.569 -4.746 -16.692 1573 2HG LYS 18 1HG LYS 18 10.741 -3.843 -15.732 1574 1HD LYS 18 2HD LYS 18 10.492 -5.460 -13.911 1575 2HD LYS 18 1HD LYS 18 9.316 -6.361 -14.871 1576 1HE LYS 18 2HE LYS 18 11.030 -6.779 -16.569 1577 2HE LYS 18 1HE LYS 18 12.204 -5.879 -15.607 1578 1HZ LYS 18 1HZ LYS 18 11.488 -7.607 -13.796 1579 2HZ LYS 18 2HZ LYS 18 12.658 -8.000 -14.953 1580 3HZ LYS 18 3HZ LYS 18 11.066 -8.540 -15.143 1581 1H MET 1 1HT MET 1 -8.414 14.242 11.381 1582 2H MET 1 2HT MET 1 -6.939 15.116 11.446 1583 3H MET 1 3HT MET 1 -6.946 13.420 11.711 1584 HA MET 1 HA MET 1 -7.844 13.183 9.432 1585 1HB MET 1 2HB MET 1 -6.930 16.065 9.335 1586 2HB MET 1 1HB MET 1 -7.419 15.109 7.943 1587 1HG MET 1 2HG MET 1 -9.665 14.906 8.852 1588 2HG MET 1 1HG MET 1 -9.180 15.827 10.274 1589 1HE MET 1 1HE MET 1 -7.587 18.736 8.374 1590 2HE MET 1 2HE MET 1 -7.699 17.830 9.884 1591 3HE MET 1 3HE MET 1 -8.802 19.172 9.576 1592 H LYS 2 H LYS 2 -6.359 12.090 8.281 1593 HA LYS 2 HA LYS 2 -3.689 12.932 7.889 1594 1HB LYS 2 2HB LYS 2 -2.497 11.307 9.209 1595 2HB LYS 2 1HB LYS 2 -3.531 12.248 10.273 1596 1HG LYS 2 2HG LYS 2 -4.218 9.523 9.208 1597 2HG LYS 2 1HG LYS 2 -3.489 9.824 10.781 1598 1HD LYS 2 2HD LYS 2 -6.168 10.858 9.857 1599 2HD LYS 2 1HD LYS 2 -5.908 9.504 10.953 1600 1HE LYS 2 2HE LYS 2 -5.089 12.362 11.454 1601 2HE LYS 2 1HE LYS 2 -6.471 11.541 12.177 1602 1HZ LYS 2 1HZ LYS 2 -4.530 9.867 12.840 1603 2HZ LYS 2 2HZ LYS 2 -4.984 11.176 13.811 1604 3HZ LYS 2 3HZ LYS 2 -3.640 11.305 12.794 1605 H ASP 3 H ASP 3 -2.906 11.965 6.118 1606 HA ASP 3 HA ASP 3 -3.557 9.276 5.432 1607 1HB ASP 3 2HB ASP 3 -4.769 9.772 3.345 1608 2HB ASP 3 1HB ASP 3 -5.656 10.316 4.766 1609 H THR 4 H THR 4 -1.624 8.619 4.759 1610 HA THR 4 HA THR 4 0.299 10.339 3.575 1611 HB THR 4 HB THR 4 0.833 8.333 4.955 1612 HG1 THR 4 1HG THR 4 2.344 7.482 3.122 1613 1HG2 THR 4 1HG2 THR 4 -0.929 6.900 3.688 1614 2HG2 THR 4 2HG2 THR 4 0.565 6.163 4.266 1615 3HG2 THR 4 3HG2 THR 4 0.401 6.605 2.567 1616 H GLY 5 H GLY 5 1.034 10.387 1.436 1617 1HA GLY 5 2HA GLY 5 -0.454 8.842 -0.553 1618 2HA GLY 5 1HA GLY 5 -0.553 10.595 -0.656 1619 H ILE 6 H ILE 6 0.871 8.097 -2.059 1620 HA ILE 6 HA ILE 6 3.008 9.704 -3.118 1621 HB ILE 6 HB ILE 6 4.769 7.966 -2.616 1622 1HG1 ILE 6 2HG1 ILE 6 4.348 6.721 -0.431 1623 2HG1 ILE 6 1HG1 ILE 6 2.642 7.077 -0.674 1624 1HG2 ILE 6 1HG2 ILE 6 3.772 9.340 -0.142 1625 2HG2 ILE 6 2HG2 ILE 6 4.482 10.222 -1.494 1626 3HG2 ILE 6 3HG2 ILE 6 5.437 9.021 -0.626 1627 1HD1 ILE 6 1HD1 ILE 6 3.953 5.878 -2.992 1628 2HD1 ILE 6 2HD1 ILE 6 2.417 5.487 -2.219 1629 3HD1 ILE 6 3HD1 ILE 6 3.923 4.855 -1.556 1630 H GLN 7 H GLN 7 3.716 9.023 -5.093 1631 HA GLN 7 HA GLN 7 2.404 6.617 -6.174 1632 1HB GLN 7 2HB GLN 7 1.712 8.874 -7.102 1633 2HB GLN 7 1HB GLN 7 3.336 9.016 -7.754 1634 1HG GLN 7 2HG GLN 7 1.366 6.844 -8.433 1635 2HG GLN 7 1HG GLN 7 1.718 8.256 -9.424 1636 1HE2 GLN 7 1HE2 GLN 7 2.287 5.086 -9.155 1637 2HE2 GLN 7 2HE2 GLN 7 3.832 4.976 -9.920 1638 H VAL 8 H VAL 8 4.080 5.190 -5.674 1639 HA VAL 8 HA VAL 8 6.803 5.710 -6.301 1640 HB VAL 8 HB VAL 8 5.455 3.039 -5.863 1641 1HG1 VAL 8 1HG1 VAL 8 7.667 2.207 -5.331 1642 2HG1 VAL 8 2HG1 VAL 8 8.363 3.800 -5.628 1643 3HG1 VAL 8 3HG1 VAL 8 7.654 2.887 -6.959 1644 1HG2 VAL 8 1HG2 VAL 8 5.596 5.080 -4.066 1645 2HG2 VAL 8 2HG2 VAL 8 7.077 4.188 -3.713 1646 3HG2 VAL 8 3HG2 VAL 8 5.517 3.369 -3.645 1647 H ASP 9 H ASP 9 8.032 5.109 -8.042 1648 HA ASP 9 HA ASP 9 7.160 3.392 -10.114 1649 1HB ASP 9 2HB ASP 9 5.671 5.390 -10.505 1650 2HB ASP 9 1HB ASP 9 7.122 6.326 -10.846 1651 H ARG 10 H ARG 10 9.435 3.242 -8.823 1652 HA ARG 10 HA ARG 10 11.693 3.113 -9.058 1653 1HB ARG 10 2HB ARG 10 11.046 3.849 -11.919 1654 2HB ARG 10 1HB ARG 10 12.618 3.294 -11.359 1655 1HG ARG 10 2HG ARG 10 10.058 1.716 -11.209 1656 2HG ARG 10 1HG ARG 10 11.324 1.508 -12.419 1657 1HD ARG 10 2HD ARG 10 11.671 1.159 -9.444 1658 2HD ARG 10 1HD ARG 10 11.476 -0.151 -10.605 1659 HE ARG 10 HE ARG 10 13.872 1.222 -9.999 1660 1HH1 ARG 10 1HH1 ARG 10 12.134 -0.206 -12.670 1661 2HH1 ARG 10 2HH1 ARG 10 13.560 -0.475 -13.614 1662 1HH2 ARG 10 1HH2 ARG 10 15.746 0.863 -11.238 1663 2HH2 ARG 10 2HH2 ARG 10 15.610 0.130 -12.802 1664 H ASP 11 H ASP 11 10.861 5.396 -7.888 1665 HA ASP 11 HA ASP 11 11.924 7.736 -9.161 1666 1HB ASP 11 2HB ASP 11 11.064 7.281 -6.297 1667 2HB ASP 11 1HB ASP 11 11.433 8.848 -7.011 1668 H LEU 12 H LEU 12 13.964 5.957 -9.238 1669 HA LEU 12 HA LEU 12 15.722 6.323 -6.982 1670 1HB LEU 12 2HB LEU 12 16.095 4.979 -9.640 1671 2HB LEU 12 1HB LEU 12 17.345 5.069 -8.411 1672 HG LEU 12 HG LEU 12 16.307 2.945 -8.231 1673 1HD1 LEU 12 1HD1 LEU 12 16.719 4.452 -6.140 1674 2HD1 LEU 12 2HD1 LEU 12 15.915 2.891 -5.980 1675 3HD1 LEU 12 3HD1 LEU 12 14.962 4.374 -6.004 1676 1HD2 LEU 12 1HD2 LEU 12 14.189 3.688 -9.399 1677 2HD2 LEU 12 2HD2 LEU 12 13.640 4.254 -7.822 1678 3HD2 LEU 12 3HD2 LEU 12 13.990 2.544 -8.072 1679 H ASP 13 H ASP 13 15.160 8.806 -7.756 1680 HA ASP 13 HA ASP 13 17.715 9.811 -8.626 1681 1HB ASP 13 2HB ASP 13 15.239 10.397 -10.271 1682 2HB ASP 13 1HB ASP 13 16.806 11.175 -10.471 1683 H GLY 14 H GLY 14 18.097 11.894 -7.947 1684 1HA GLY 14 2HA GLY 14 16.525 12.872 -5.806 1685 2HA GLY 14 1HA GLY 14 17.867 13.713 -6.565 1686 H LYS 15 H LYS 15 14.502 12.804 -7.329 1687 HA LYS 15 HA LYS 15 12.777 13.982 -8.221 1688 1HB LYS 15 2HB LYS 15 14.413 16.391 -7.406 1689 2HB LYS 15 1HB LYS 15 12.726 16.424 -7.898 1690 1HG LYS 15 2HG LYS 15 13.833 15.018 -5.476 1691 2HG LYS 15 1HG LYS 15 12.939 16.540 -5.482 1692 1HD LYS 15 2HD LYS 15 11.881 13.864 -6.397 1693 2HD LYS 15 1HD LYS 15 11.499 14.658 -4.868 1694 1HE LYS 15 2HE LYS 15 10.877 15.720 -7.622 1695 2HE LYS 15 1HE LYS 15 9.722 14.987 -6.511 1696 1HZ LYS 15 1HZ LYS 15 10.137 16.782 -4.949 1697 2HZ LYS 15 2HZ LYS 15 9.613 17.397 -6.434 1698 3HZ LYS 15 3HZ LYS 15 11.248 17.485 -6.013 1699 H SER 16 H SER 16 14.876 13.074 -9.903 1700 HA SER 16 HA SER 16 15.351 15.157 -11.863 1701 1HB SER 16 2HB SER 16 16.064 12.216 -11.930 1702 2HB SER 16 1HB SER 16 16.623 13.436 -13.072 1703 HG SER 16 HG SER 16 18.176 13.074 -11.462 1704 H HIS 17 H HIS 17 12.723 15.011 -11.703 1705 HA HIS 17 HA HIS 17 10.861 14.876 -12.998 1706 1HB HIS 17 2HB HIS 17 12.712 13.629 -15.039 1707 2HB HIS 17 1HB HIS 17 11.044 14.093 -15.345 1708 HD1 HIS 17 1HD HIS 17 14.103 15.886 -13.928 1709 HD2 HIS 17 2HD HIS 17 10.958 16.480 -16.576 1710 HE1 HIS 17 1HE HIS 17 14.429 18.202 -14.847 1711 HE2 HIS 17 2HE HIS 17 12.460 18.576 -16.374 1712 H LYS 18 H LYS 18 12.807 11.885 -13.253 1713 HA LYS 18 HA LYS 18 10.678 10.370 -12.052 1714 1HB LYS 18 2HB LYS 18 11.486 9.791 -14.910 1715 2HB LYS 18 1HB LYS 18 10.449 8.773 -13.923 1716 1HG LYS 18 2HG LYS 18 8.814 10.604 -13.785 1717 2HG LYS 18 1HG LYS 18 9.847 11.579 -14.832 1718 1HD LYS 18 2HD LYS 18 9.637 9.890 -16.599 1719 2HD LYS 18 1HD LYS 18 8.586 8.935 -15.552 1720 1HE LYS 18 2HE LYS 18 8.029 11.726 -16.552 1721 2HE LYS 18 1HE LYS 18 7.294 10.245 -17.164 1722 1HZ LYS 18 1HZ LYS 18 5.732 11.066 -15.685 1723 2HZ LYS 18 2HZ LYS 18 6.889 11.567 -14.557 1724 3HZ LYS 18 3HZ LYS 18 6.551 9.920 -14.748 Start of MODEL 10 1 1H MET 1 1HT MET 1 -24.872 -1.584 -20.083 2 2H MET 1 2HT MET 1 -25.389 -1.737 -18.453 3 3H MET 1 3HT MET 1 -23.724 -1.886 -18.847 4 HA MET 1 HA MET 1 -23.899 0.434 -19.735 5 1HB MET 1 2HB MET 1 -26.380 0.279 -18.008 6 2HB MET 1 1HB MET 1 -25.708 1.755 -18.686 7 1HG MET 1 2HG MET 1 -26.110 0.908 -20.939 8 2HG MET 1 1HG MET 1 -26.782 -0.573 -20.260 9 1HE MET 1 1HE MET 1 -29.960 0.816 -18.398 10 2HE MET 1 2HE MET 1 -28.341 0.570 -17.740 11 3HE MET 1 3HE MET 1 -29.048 -0.636 -18.815 12 H CYS 2 H CYS 2 -24.782 -0.986 -16.600 13 HA CYS 2 HA CYS 2 -23.489 0.892 -14.974 14 1HB CYS 2 2HB CYS 2 -23.980 -2.046 -14.451 15 2HB CYS 2 1HB CYS 2 -23.552 -0.855 -13.229 16 HG CYS 2 HG CYS 2 -26.319 -1.197 -14.513 17 H ASP 3 H ASP 3 -21.425 1.181 -14.352 18 HA ASP 3 HA ASP 3 -19.320 0.058 -15.833 19 1HB ASP 3 2HB ASP 3 -17.840 1.168 -14.170 20 2HB ASP 3 1HB ASP 3 -19.086 2.238 -14.806 21 H ARG 4 H ARG 4 -18.016 -1.650 -15.526 22 HA ARG 4 HA ARG 4 -17.451 -2.922 -13.105 23 1HB ARG 4 2HB ARG 4 -19.824 -3.564 -13.139 24 2HB ARG 4 1HB ARG 4 -19.608 -4.300 -14.721 25 1HG ARG 4 2HG ARG 4 -19.648 -5.979 -12.970 26 2HG ARG 4 1HG ARG 4 -18.074 -5.932 -13.764 27 1HD ARG 4 2HD ARG 4 -17.148 -4.652 -11.929 28 2HD ARG 4 1HD ARG 4 -18.730 -4.561 -11.159 29 HE ARG 4 HE ARG 4 -18.311 -6.599 -10.245 30 1HH1 ARG 4 1HH1 ARG 4 -16.334 -6.290 -13.105 31 2HH1 ARG 4 2HH1 ARG 4 -15.585 -7.837 -12.905 32 1HH2 ARG 4 1HH2 ARG 4 -17.323 -8.629 -9.979 33 2HH2 ARG 4 2HH2 ARG 4 -16.144 -9.164 -11.130 34 H LYS 5 H LYS 5 -15.783 -4.325 -13.369 35 HA LYS 5 HA LYS 5 -15.295 -5.915 -15.622 36 1HB LYS 5 2HB LYS 5 -14.943 -3.814 -16.800 37 2HB LYS 5 1HB LYS 5 -13.784 -3.298 -15.584 38 1HG LYS 5 2HG LYS 5 -12.693 -4.073 -17.629 39 2HG LYS 5 1HG LYS 5 -12.264 -5.068 -16.235 40 1HD LYS 5 2HD LYS 5 -13.902 -6.745 -16.929 41 2HD LYS 5 1HD LYS 5 -14.339 -5.748 -18.318 42 1HE LYS 5 2HE LYS 5 -12.052 -5.937 -19.171 43 2HE LYS 5 1HE LYS 5 -11.619 -6.937 -17.783 44 1HZ LYS 5 1HZ LYS 5 -13.695 -7.641 -19.787 45 2HZ LYS 5 2HZ LYS 5 -13.154 -8.615 -18.515 46 3HZ LYS 5 3HZ LYS 5 -12.111 -8.237 -19.792 47 H ALA 6 H ALA 6 -13.888 -4.042 -13.003 48 HA ALA 6 HA ALA 6 -11.472 -5.311 -12.652 49 1HB ALA 6 1HB ALA 6 -12.319 -3.315 -11.405 50 2HB ALA 6 2HB ALA 6 -11.494 -4.509 -10.405 51 3HB ALA 6 3HB ALA 6 -13.255 -4.416 -10.395 52 H VAL 7 H VAL 7 -10.834 -7.292 -12.058 53 HA VAL 7 HA VAL 7 -12.845 -9.242 -11.304 54 HB VAL 7 HB VAL 7 -11.039 -10.877 -11.584 55 1HG1 VAL 7 1HG1 VAL 7 -11.074 -9.095 -13.994 56 2HG1 VAL 7 2HG1 VAL 7 -12.508 -9.980 -13.475 57 3HG1 VAL 7 3HG1 VAL 7 -11.046 -10.858 -13.927 58 1HG2 VAL 7 1HG2 VAL 7 -8.872 -10.255 -12.409 59 2HG2 VAL 7 2HG2 VAL 7 -9.187 -9.360 -10.923 60 3HG2 VAL 7 3HG2 VAL 7 -9.346 -8.558 -12.485 61 H ILE 8 H ILE 8 -12.946 -10.294 -9.395 62 HA ILE 8 HA ILE 8 -11.626 -9.088 -7.140 63 HB ILE 8 HB ILE 8 -13.554 -11.407 -7.299 64 1HG1 ILE 8 2HG1 ILE 8 -15.100 -9.755 -6.231 65 2HG1 ILE 8 1HG1 ILE 8 -13.859 -8.521 -6.441 66 1HG2 ILE 8 1HG2 ILE 8 -13.752 -11.171 -4.847 67 2HG2 ILE 8 2HG2 ILE 8 -12.403 -10.036 -4.871 68 3HG2 ILE 8 3HG2 ILE 8 -12.153 -11.712 -5.356 69 1HD1 ILE 8 1HD1 ILE 8 -14.866 -10.069 -8.787 70 2HD1 ILE 8 2HD1 ILE 8 -14.122 -8.471 -8.734 71 3HD1 ILE 8 3HD1 ILE 8 -15.773 -8.696 -8.153 72 H LYS 9 H LYS 9 -10.211 -10.070 -5.693 73 HA LYS 9 HA LYS 9 -8.982 -12.589 -6.578 74 1HB LYS 9 2HB LYS 9 -7.505 -10.101 -5.711 75 2HB LYS 9 1HB LYS 9 -6.758 -11.660 -6.022 76 1HG LYS 9 2HG LYS 9 -8.229 -9.976 -8.039 77 2HG LYS 9 1HG LYS 9 -6.478 -10.144 -7.904 78 1HD LYS 9 2HD LYS 9 -8.432 -12.361 -8.521 79 2HD LYS 9 1HD LYS 9 -7.366 -11.566 -9.681 80 1HE LYS 9 2HE LYS 9 -5.417 -12.367 -8.425 81 2HE LYS 9 1HE LYS 9 -6.489 -13.169 -7.278 82 1HZ LYS 9 1HZ LYS 9 -7.107 -14.745 -8.824 83 2HZ LYS 9 2HZ LYS 9 -5.473 -14.520 -9.201 84 3HZ LYS 9 3HZ LYS 9 -6.666 -13.793 -10.152 85 H ASN 10 H ASN 10 -9.524 -10.311 -3.922 86 HA ASN 10 HA ASN 10 -9.482 -12.558 -2.068 87 1HB ASN 10 2HB ASN 10 -7.746 -10.112 -1.687 88 2HB ASN 10 1HB ASN 10 -7.983 -11.386 -0.496 89 1HD2 ASN 10 1HD2 ASN 10 -5.919 -10.266 -2.738 90 2HD2 ASN 10 2HD2 ASN 10 -5.095 -11.727 -3.154 91 H ALA 11 H ALA 11 -11.756 -11.361 -2.810 92 HA ALA 11 HA ALA 11 -12.572 -9.081 -1.405 93 1HB ALA 11 1HB ALA 11 -14.884 -10.441 -1.581 94 2HB ALA 11 2HB ALA 11 -13.923 -11.327 -2.766 95 3HB ALA 11 3HB ALA 11 -14.155 -9.588 -2.941 96 H ASP 12 H ASP 12 -13.572 -8.780 0.594 97 HA ASP 12 HA ASP 12 -14.156 -10.976 2.335 98 1HB ASP 12 2HB ASP 12 -11.719 -10.970 2.536 99 2HB ASP 12 1HB ASP 12 -11.745 -9.262 2.964 100 H MET 13 H MET 13 -15.962 -9.242 1.687 101 HA MET 13 HA MET 13 -16.652 -7.965 4.127 102 1HB MET 13 2HB MET 13 -16.768 -5.645 3.290 103 2HB MET 13 1HB MET 13 -15.120 -6.246 3.375 104 1HG MET 13 2HG MET 13 -15.032 -6.551 1.013 105 2HG MET 13 1HG MET 13 -16.753 -6.212 0.853 106 1HE MET 13 1HE MET 13 -13.206 -4.501 1.797 107 2HE MET 13 2HE MET 13 -14.268 -4.475 3.205 108 3HE MET 13 3HE MET 13 -13.859 -2.971 2.381 109 H SER 14 H SER 14 -18.605 -6.286 3.485 110 HA SER 14 HA SER 14 -20.702 -7.926 2.654 111 1HB SER 14 2HB SER 14 -20.573 -4.904 2.717 112 2HB SER 14 1HB SER 14 -22.054 -5.853 2.587 113 HG SER 14 HG SER 14 -21.344 -5.106 4.765 114 H GLU 15 H GLU 15 -21.860 -8.126 0.768 115 HA GLU 15 HA GLU 15 -20.515 -8.064 -1.646 116 1HB GLU 15 2HB GLU 15 -22.711 -8.384 -2.708 117 2HB GLU 15 1HB GLU 15 -22.497 -9.420 -1.304 118 1HG GLU 15 2HG GLU 15 -23.838 -7.871 0.035 119 2HG GLU 15 1HG GLU 15 -24.066 -6.853 -1.386 120 H GLU 16 H GLU 16 -22.797 -5.690 -0.356 121 HA GLU 16 HA GLU 16 -22.830 -3.994 -2.586 122 1HB GLU 16 2HB GLU 16 -23.689 -2.280 -1.047 123 2HB GLU 16 1HB GLU 16 -24.491 -3.826 -0.812 124 1HG GLU 16 2HG GLU 16 -23.087 -4.261 1.137 125 2HG GLU 16 1HG GLU 16 -22.280 -2.713 0.900 126 H MET 17 H MET 17 -20.736 -4.010 0.273 127 HA MET 17 HA MET 17 -19.375 -1.629 -0.262 128 1HB MET 17 2HB MET 17 -18.403 -4.112 1.153 129 2HB MET 17 1HB MET 17 -17.580 -2.558 1.182 130 1HG MET 17 2HG MET 17 -19.478 -1.542 2.290 131 2HG MET 17 1HG MET 17 -20.362 -3.063 2.210 132 1HE MET 17 1HE MET 17 -19.442 -2.437 6.015 133 2HE MET 17 2HE MET 17 -20.740 -3.110 5.027 134 3HE MET 17 3HE MET 17 -20.157 -1.473 4.722 135 H GLN 18 H GLN 18 -18.496 -4.962 -1.120 136 HA GLN 18 HA GLN 18 -16.148 -4.270 -2.506 137 1HB GLN 18 2HB GLN 18 -16.401 -6.524 -3.584 138 2HB GLN 18 1HB GLN 18 -16.413 -6.532 -1.828 139 1HG GLN 18 2HG GLN 18 -18.884 -6.647 -1.894 140 2HG GLN 18 1HG GLN 18 -18.794 -6.772 -3.650 141 1HE2 GLN 18 1HE2 GLN 18 -18.835 -8.450 -0.763 142 2HE2 GLN 18 2HE2 GLN 18 -18.351 -9.996 -1.350 143 H GLN 19 H GLN 19 -19.495 -4.605 -3.568 144 HA GLN 19 HA GLN 19 -18.961 -4.290 -6.333 145 1HB GLN 19 2HB GLN 19 -21.461 -3.815 -4.709 146 2HB GLN 19 1HB GLN 19 -21.406 -3.672 -6.461 147 1HG GLN 19 2HG GLN 19 -20.774 -6.163 -4.894 148 2HG GLN 19 1HG GLN 19 -22.288 -5.834 -5.734 149 1HE2 GLN 19 1HE2 GLN 19 -19.483 -7.464 -5.951 150 2HE2 GLN 19 2HE2 GLN 19 -19.329 -7.584 -7.668 151 H ASP 20 H ASP 20 -19.761 -2.023 -3.749 152 HA ASP 20 HA ASP 20 -19.954 0.269 -5.407 153 1HB ASP 20 2HB ASP 20 -20.908 0.199 -3.135 154 2HB ASP 20 1HB ASP 20 -19.286 0.091 -2.457 155 H SER 21 H SER 21 -17.287 -1.287 -3.737 156 HA SER 21 HA SER 21 -15.408 0.795 -4.172 157 1HB SER 21 2HB SER 21 -15.033 -0.932 -2.467 158 2HB SER 21 1HB SER 21 -14.944 -2.167 -3.722 159 HG SER 21 HG SER 21 -12.866 -1.551 -3.175 160 H VAL 22 H VAL 22 -16.265 -2.137 -5.943 161 HA VAL 22 HA VAL 22 -14.291 -1.933 -7.940 162 HB VAL 22 HB VAL 22 -17.034 -3.182 -8.162 163 1HG1 VAL 22 1HG1 VAL 22 -14.934 -2.850 -10.073 164 2HG1 VAL 22 2HG1 VAL 22 -16.506 -3.624 -10.270 165 3HG1 VAL 22 3HG1 VAL 22 -15.126 -4.565 -9.706 166 1HG2 VAL 22 1HG2 VAL 22 -16.306 -4.993 -7.047 167 2HG2 VAL 22 2HG2 VAL 22 -15.113 -3.882 -6.375 168 3HG2 VAL 22 3HG2 VAL 22 -14.691 -4.901 -7.750 169 H GLU 23 H GLU 23 -17.660 -0.838 -7.843 170 HA GLU 23 HA GLU 23 -17.614 0.352 -10.421 171 1HB GLU 23 2HB GLU 23 -19.421 0.897 -8.056 172 2HB GLU 23 1HB GLU 23 -19.697 1.485 -9.690 173 1HG GLU 23 2HG GLU 23 -19.891 -0.810 -10.489 174 2HG GLU 23 1HG GLU 23 -19.599 -1.407 -8.856 175 H CYS 24 H CYS 24 -17.150 1.569 -7.148 176 HA CYS 24 HA CYS 24 -16.835 4.287 -7.821 177 1HB CYS 24 2HB CYS 24 -17.275 3.523 -5.523 178 2HB CYS 24 1HB CYS 24 -15.690 2.760 -5.472 179 HG CYS 24 HG CYS 24 -14.797 4.886 -4.693 180 H ALA 25 H ALA 25 -14.624 1.570 -7.780 181 HA ALA 25 HA ALA 25 -12.233 3.083 -8.023 182 1HB ALA 25 1HB ALA 25 -11.678 0.986 -7.351 183 2HB ALA 25 2HB ALA 25 -11.532 0.725 -9.090 184 3HB ALA 25 3HB ALA 25 -12.999 0.232 -8.245 185 H THR 26 H THR 26 -14.508 1.611 -10.264 186 HA THR 26 HA THR 26 -13.095 1.959 -12.629 187 HB THR 26 HB THR 26 -16.082 2.081 -12.188 188 HG1 THR 26 1HG THR 26 -15.580 0.089 -11.619 189 1HG2 THR 26 1HG2 THR 26 -16.229 2.580 -14.345 190 2HG2 THR 26 2HG2 THR 26 -15.654 0.939 -14.647 191 3HG2 THR 26 3HG2 THR 26 -14.512 2.284 -14.619 192 H GLN 27 H GLN 27 -15.402 4.099 -11.020 193 HA GLN 27 HA GLN 27 -15.278 6.213 -12.873 194 1HB GLN 27 2HB GLN 27 -15.815 6.329 -9.895 195 2HB GLN 27 1HB GLN 27 -16.169 7.611 -11.045 196 1HG GLN 27 2HG GLN 27 -17.406 4.867 -11.028 197 2HG GLN 27 1HG GLN 27 -18.166 6.353 -10.459 198 1HE2 GLN 27 1HE2 GLN 27 -19.548 7.182 -11.835 199 2HE2 GLN 27 2HE2 GLN 27 -19.463 7.088 -13.558 200 H ALA 28 H ALA 28 -13.321 5.330 -10.108 201 HA ALA 28 HA ALA 28 -11.812 7.650 -9.795 202 1HB ALA 28 1HB ALA 28 -10.574 6.446 -8.340 203 2HB ALA 28 2HB ALA 28 -10.386 5.092 -9.455 204 3HB ALA 28 3HB ALA 28 -11.881 5.277 -8.539 205 H LEU 29 H LEU 29 -11.397 4.934 -12.014 206 HA LEU 29 HA LEU 29 -8.887 5.814 -13.007 207 1HB LEU 29 2HB LEU 29 -10.945 3.894 -14.051 208 2HB LEU 29 1HB LEU 29 -9.484 4.263 -14.950 209 HG LEU 29 HG LEU 29 -9.432 3.230 -12.128 210 1HD1 LEU 29 1HD1 LEU 29 -10.462 1.777 -14.153 211 2HD1 LEU 29 2HD1 LEU 29 -9.548 1.079 -12.814 212 3HD1 LEU 29 3HD1 LEU 29 -8.746 1.416 -14.348 213 1HD2 LEU 29 1HD2 LEU 29 -7.319 3.143 -14.266 214 2HD2 LEU 29 2HD2 LEU 29 -7.140 2.772 -12.552 215 3HD2 LEU 29 3HD2 LEU 29 -7.443 4.433 -13.069 216 H GLU 30 H GLU 30 -12.209 6.134 -14.159 217 HA GLU 30 HA GLU 30 -11.552 7.593 -16.506 218 1HB GLU 30 2HB GLU 30 -14.153 7.464 -14.971 219 2HB GLU 30 1HB GLU 30 -13.963 8.114 -16.593 220 1HG GLU 30 2HG GLU 30 -13.265 5.917 -17.394 221 2HG GLU 30 1HG GLU 30 -13.454 5.265 -15.768 222 H LYS 31 H LYS 31 -12.252 8.512 -13.198 223 HA LYS 31 HA LYS 31 -12.313 11.342 -13.868 224 1HB LYS 31 2HB LYS 31 -12.574 9.939 -11.202 225 2HB LYS 31 1HB LYS 31 -12.774 11.666 -11.463 226 1HG LYS 31 2HG LYS 31 -14.682 11.204 -12.936 227 2HG LYS 31 1HG LYS 31 -14.487 9.478 -12.623 228 1HD LYS 31 2HD LYS 31 -16.245 10.415 -11.223 229 2HD LYS 31 1HD LYS 31 -14.886 9.872 -10.238 230 1HE LYS 31 2HE LYS 31 -15.730 12.035 -9.475 231 2HE LYS 31 1HE LYS 31 -14.075 12.164 -10.070 232 1HZ LYS 31 1HZ LYS 31 -14.698 13.470 -11.772 233 2HZ LYS 31 2HZ LYS 31 -16.041 13.802 -10.800 234 3HZ LYS 31 3HZ LYS 31 -16.156 12.650 -12.033 235 H TYR 32 H TYR 32 -10.293 8.984 -12.258 236 HA TYR 32 HA TYR 32 -8.069 10.894 -12.332 237 1HB TYR 32 2HB TYR 32 -8.590 9.037 -9.999 238 2HB TYR 32 1HB TYR 32 -7.296 10.220 -10.141 239 HD1 TYR 32 1HD TYR 32 -11.022 10.025 -10.141 240 HD2 TYR 32 2HD TYR 32 -7.566 12.287 -9.128 241 HE1 TYR 32 1HE TYR 32 -12.447 11.693 -9.026 242 HE2 TYR 32 2HE TYR 32 -8.980 13.957 -8.006 243 HH TYR 32 HH TYR 32 -12.391 13.998 -8.339 244 H ASN 33 H ASN 33 -7.408 9.765 -14.195 245 HA ASN 33 HA ASN 33 -6.979 6.976 -14.285 246 1HB ASN 33 2HB ASN 33 -5.720 9.157 -15.960 247 2HB ASN 33 1HB ASN 33 -5.687 7.437 -16.334 248 1HD2 ASN 33 1HD2 ASN 33 -7.087 6.873 -17.815 249 2HD2 ASN 33 2HD2 ASN 33 -8.637 7.587 -18.087 250 H ILE 34 H ILE 34 -5.763 8.469 -12.027 251 HA ILE 34 HA ILE 34 -2.966 7.619 -12.371 252 HB ILE 34 HB ILE 34 -4.068 9.686 -10.461 253 1HG1 ILE 34 2HG1 ILE 34 -2.351 9.993 -12.935 254 2HG1 ILE 34 1HG1 ILE 34 -4.041 10.464 -12.790 255 1HG2 ILE 34 1HG2 ILE 34 -2.246 9.141 -9.271 256 2HG2 ILE 34 2HG2 ILE 34 -1.365 10.032 -10.513 257 3HG2 ILE 34 3HG2 ILE 34 -1.505 8.277 -10.619 258 1HD1 ILE 34 1HD1 ILE 34 -1.986 11.616 -10.955 259 2HD1 ILE 34 2HD1 ILE 34 -3.551 12.272 -11.437 260 3HD1 ILE 34 3HD1 ILE 34 -2.209 12.260 -12.581 261 H GLU 35 H GLU 35 -2.219 6.050 -11.071 262 HA GLU 35 HA GLU 35 -3.854 4.369 -9.630 263 1HB GLU 35 2HB GLU 35 -0.908 4.862 -9.165 264 2HB GLU 35 1HB GLU 35 -1.805 3.438 -8.655 265 1HG GLU 35 2HG GLU 35 -2.223 2.832 -10.957 266 2HG GLU 35 1HG GLU 35 -1.427 4.303 -11.512 267 H LYS 36 H LYS 36 -1.719 6.882 -8.293 268 HA LYS 36 HA LYS 36 -2.365 6.520 -5.601 269 1HB LYS 36 2HB LYS 36 -0.460 7.853 -6.402 270 2HB LYS 36 1HB LYS 36 -1.571 9.077 -6.991 271 1HG LYS 36 2HG LYS 36 -2.375 9.357 -4.636 272 2HG LYS 36 1HG LYS 36 -1.065 8.286 -4.134 273 1HD LYS 36 2HD LYS 36 -0.110 10.366 -3.840 274 2HD LYS 36 1HD LYS 36 0.436 9.948 -5.463 275 1HE LYS 36 2HE LYS 36 -1.950 11.675 -4.811 276 2HE LYS 36 1HE LYS 36 -0.368 12.270 -5.305 277 1HZ LYS 36 1HZ LYS 36 -2.388 10.840 -6.900 278 2HZ LYS 36 2HZ LYS 36 -0.759 10.779 -7.349 279 3HZ LYS 36 3HZ LYS 36 -1.555 12.267 -7.262 280 H ASP 37 H ASP 37 -3.647 9.009 -7.820 281 HA ASP 37 HA ASP 37 -5.442 10.209 -6.121 282 1HB ASP 37 2HB ASP 37 -5.651 9.751 -9.095 283 2HB ASP 37 1HB ASP 37 -6.741 10.800 -8.194 284 H ILE 38 H ILE 38 -5.996 7.321 -8.108 285 HA ILE 38 HA ILE 38 -8.696 6.949 -7.755 286 HB ILE 38 HB ILE 38 -6.467 4.923 -7.863 287 1HG1 ILE 38 2HG1 ILE 38 -8.549 5.751 -9.893 288 2HG1 ILE 38 1HG1 ILE 38 -6.878 6.301 -9.874 289 1HG2 ILE 38 1HG2 ILE 38 -8.277 3.845 -6.692 290 2HG2 ILE 38 2HG2 ILE 38 -8.190 3.217 -8.338 291 3HG2 ILE 38 3HG2 ILE 38 -9.430 4.391 -7.908 292 1HD1 ILE 38 1HD1 ILE 38 -6.565 3.602 -9.860 293 2HD1 ILE 38 2HD1 ILE 38 -6.538 4.621 -11.300 294 3HD1 ILE 38 3HD1 ILE 38 -8.025 3.794 -10.831 295 H ALA 39 H ALA 39 -6.124 5.720 -5.633 296 HA ALA 39 HA ALA 39 -7.846 4.656 -3.672 297 1HB ALA 39 1HB ALA 39 -5.765 4.689 -2.244 298 2HB ALA 39 2HB ALA 39 -4.945 5.444 -3.610 299 3HB ALA 39 3HB ALA 39 -5.633 3.828 -3.778 300 H ALA 40 H ALA 40 -6.588 7.865 -4.192 301 HA ALA 40 HA ALA 40 -6.946 8.849 -1.566 302 1HB ALA 40 1HB ALA 40 -5.539 9.888 -3.353 303 2HB ALA 40 2HB ALA 40 -6.579 11.011 -2.477 304 3HB ALA 40 3HB ALA 40 -7.029 10.473 -4.095 305 H HIS 41 H HIS 41 -8.921 9.497 -4.471 306 HA HIS 41 HA HIS 41 -10.988 10.775 -3.072 307 1HB HIS 41 2HB HIS 41 -11.876 11.120 -5.114 308 2HB HIS 41 1HB HIS 41 -10.356 10.458 -5.698 309 HD1 HIS 41 1HD HIS 41 -13.878 9.312 -4.903 310 HD2 HIS 41 2HD HIS 41 -10.617 8.221 -7.233 311 HE1 HIS 41 1HE HIS 41 -14.686 7.411 -6.329 312 HE2 HIS 41 2HE HIS 41 -12.763 6.910 -7.868 313 H ILE 42 H ILE 42 -10.723 7.411 -4.223 314 HA ILE 42 HA ILE 42 -13.256 6.550 -3.444 315 HB ILE 42 HB ILE 42 -10.698 4.947 -3.555 316 1HG1 ILE 42 2HG1 ILE 42 -12.907 5.261 -5.588 317 2HG1 ILE 42 1HG1 ILE 42 -11.350 6.080 -5.663 318 1HG2 ILE 42 1HG2 ILE 42 -12.657 3.179 -4.095 319 2HG2 ILE 42 2HG2 ILE 42 -13.476 4.211 -2.923 320 3HG2 ILE 42 3HG2 ILE 42 -11.963 3.415 -2.492 321 1HD1 ILE 42 1HD1 ILE 42 -10.352 3.713 -5.575 322 2HD1 ILE 42 2HD1 ILE 42 -11.083 4.276 -7.076 323 3HD1 ILE 42 3HD1 ILE 42 -11.974 3.183 -6.018 324 H LYS 43 H LYS 43 -10.217 6.514 -1.582 325 HA LYS 43 HA LYS 43 -11.199 5.207 0.686 326 1HB LYS 43 2HB LYS 43 -8.781 5.820 0.087 327 2HB LYS 43 1HB LYS 43 -9.126 7.392 0.785 328 1HG LYS 43 2HG LYS 43 -9.288 4.750 2.223 329 2HG LYS 43 1HG LYS 43 -7.981 5.923 2.358 330 1HD LYS 43 2HD LYS 43 -10.852 6.313 3.198 331 2HD LYS 43 1HD LYS 43 -9.461 6.120 4.256 332 1HE LYS 43 2HE LYS 43 -9.861 8.394 2.318 333 2HE LYS 43 1HE LYS 43 -10.173 8.468 4.051 334 1HZ LYS 43 1HZ LYS 43 -7.789 7.858 4.368 335 2HZ LYS 43 2HZ LYS 43 -8.039 9.379 3.670 336 3HZ LYS 43 3HZ LYS 43 -7.562 8.074 2.706 337 H LYS 44 H LYS 44 -10.937 8.708 0.038 338 HA LYS 44 HA LYS 44 -11.997 9.631 2.425 339 1HB LYS 44 2HB LYS 44 -12.268 10.820 -0.339 340 2HB LYS 44 1HB LYS 44 -12.639 11.672 1.154 341 1HG LYS 44 2HG LYS 44 -10.323 11.468 1.867 342 2HG LYS 44 1HG LYS 44 -9.940 10.575 0.395 343 1HD LYS 44 2HD LYS 44 -10.571 12.526 -0.947 344 2HD LYS 44 1HD LYS 44 -10.947 13.417 0.530 345 1HE LYS 44 2HE LYS 44 -8.245 12.318 -0.241 346 2HE LYS 44 1HE LYS 44 -8.738 14.009 -0.336 347 1HZ LYS 44 1HZ LYS 44 -8.575 12.398 2.156 348 2HZ LYS 44 2HZ LYS 44 -9.025 14.028 2.059 349 3HZ LYS 44 3HZ LYS 44 -7.449 13.560 1.661 350 H GLU 45 H GLU 45 -13.739 8.707 -0.531 351 HA GLU 45 HA GLU 45 -16.294 9.475 0.276 352 1HB GLU 45 2HB GLU 45 -15.454 7.169 -1.490 353 2HB GLU 45 1HB GLU 45 -17.110 7.740 -1.328 354 1HG GLU 45 2HG GLU 45 -14.797 9.377 -2.344 355 2HG GLU 45 1HG GLU 45 -16.009 8.583 -3.349 356 H PHE 46 H PHE 46 -14.702 6.303 0.649 357 HA PHE 46 HA PHE 46 -16.843 5.133 2.081 358 1HB PHE 46 2HB PHE 46 -13.929 4.420 1.848 359 2HB PHE 46 1HB PHE 46 -15.060 3.471 2.803 360 HD1 PHE 46 1HD PHE 46 -17.346 2.987 1.419 361 HD2 PHE 46 2HD PHE 46 -13.473 3.595 -0.238 362 HE1 PHE 46 1HE PHE 46 -18.013 1.732 -0.587 363 HE2 PHE 46 2HE PHE 46 -14.136 2.342 -2.250 364 HZ PHE 46 HZ PHE 46 -16.408 1.410 -2.429 365 H ASP 47 H ASP 47 -13.860 6.707 3.147 366 HA ASP 47 HA ASP 47 -14.023 6.227 5.866 367 1HB ASP 47 2HB ASP 47 -12.063 7.241 4.838 368 2HB ASP 47 1HB ASP 47 -12.991 8.676 4.417 369 H LYS 48 H LYS 48 -15.542 8.766 3.950 370 HA LYS 48 HA LYS 48 -16.730 10.062 6.198 371 1HB LYS 48 2HB LYS 48 -16.177 11.346 4.238 372 2HB LYS 48 1HB LYS 48 -17.179 10.316 3.227 373 1HG LYS 48 2HG LYS 48 -18.261 12.437 3.670 374 2HG LYS 48 1HG LYS 48 -19.168 11.101 4.379 375 1HD LYS 48 2HD LYS 48 -19.046 12.997 5.917 376 2HD LYS 48 1HD LYS 48 -18.198 11.593 6.566 377 1HE LYS 48 2HE LYS 48 -16.916 13.636 6.926 378 2HE LYS 48 1HE LYS 48 -16.067 12.536 5.842 379 1HZ LYS 48 1HZ LYS 48 -16.740 15.188 5.376 380 2HZ LYS 48 2HZ LYS 48 -17.703 14.268 4.335 381 3HZ LYS 48 3HZ LYS 48 -16.020 14.101 4.298 382 H LYS 49 H LYS 49 -17.895 7.855 3.691 383 HA LYS 49 HA LYS 49 -20.595 7.909 4.653 384 1HB LYS 49 2HB LYS 49 -19.272 6.031 2.699 385 2HB LYS 49 1HB LYS 49 -21.002 6.166 2.976 386 1HG LYS 49 2HG LYS 49 -20.945 8.478 2.180 387 2HG LYS 49 1HG LYS 49 -19.212 8.328 1.892 388 1HD LYS 49 2HD LYS 49 -19.637 6.529 0.284 389 2HD LYS 49 1HD LYS 49 -21.373 6.692 0.566 390 1HE LYS 49 2HE LYS 49 -19.548 8.821 -0.549 391 2HE LYS 49 1HE LYS 49 -20.690 7.849 -1.476 392 1HZ LYS 49 1HZ LYS 49 -21.412 9.738 0.699 393 2HZ LYS 49 2HZ LYS 49 -22.500 8.826 -0.219 394 3HZ LYS 49 3HZ LYS 49 -21.580 10.038 -0.958 395 H TYR 50 H TYR 50 -18.472 5.099 4.243 396 HA TYR 50 HA TYR 50 -19.941 3.574 6.140 397 1HB TYR 50 2HB TYR 50 -17.307 3.007 4.784 398 2HB TYR 50 1HB TYR 50 -18.214 1.843 5.741 399 HD1 TYR 50 1HD TYR 50 -17.732 0.761 3.301 400 HD2 TYR 50 2HD TYR 50 -20.628 3.763 4.139 401 HE1 TYR 50 1HE TYR 50 -18.986 0.105 1.294 402 HE2 TYR 50 2HE TYR 50 -21.889 3.113 2.137 403 HH TYR 50 HH TYR 50 -21.206 0.248 0.382 404 H ASN 51 H ASN 51 -17.434 5.814 6.510 405 HA ASN 51 HA ASN 51 -16.657 6.661 8.516 406 1HB ASN 51 2HB ASN 51 -17.325 3.976 9.748 407 2HB ASN 51 1HB ASN 51 -16.722 5.384 10.608 408 1HD2 ASN 51 1HD2 ASN 51 -18.215 6.436 11.664 409 2HD2 ASN 51 2HD2 ASN 51 -19.874 6.599 11.210 410 HA PRO 52 HA PRO 52 -12.562 5.329 7.819 411 1HB PRO 52 2HB PRO 52 -11.312 6.368 10.023 412 2HB PRO 52 1HB PRO 52 -11.813 7.334 8.632 413 1HG PRO 52 2HG PRO 52 -13.158 6.969 11.274 414 2HG PRO 52 1HG PRO 52 -12.982 8.438 10.299 415 1HD PRO 52 2HD PRO 52 -15.274 6.994 10.378 416 2HD PRO 52 1HD PRO 52 -14.761 7.899 8.942 417 H THR 53 H THR 53 -11.077 2.893 10.013 418 HA THR 53 HA THR 53 -10.724 5.175 8.193 419 HB THR 53 HB THR 53 -9.284 5.224 10.203 420 HG1 THR 53 1HG THR 53 -7.539 5.812 9.080 421 1HG2 THR 53 1HG2 THR 53 -9.016 2.827 10.573 422 2HG2 THR 53 2HG2 THR 53 -7.464 3.655 10.464 423 3HG2 THR 53 3HG2 THR 53 -8.058 2.711 9.097 424 H TRP 54 H TRP 54 -10.429 4.751 6.124 425 HA TRP 54 HA TRP 54 -9.990 1.974 5.331 426 1HB TRP 54 2HB TRP 54 -10.945 4.355 3.744 427 2HB TRP 54 1HB TRP 54 -10.741 2.730 3.094 428 HD1 TRP 54 HD TRP 54 -12.618 4.228 6.151 429 HE1 TRP 54 1HE TRP 54 -14.938 3.129 6.256 430 HE3 TRP 54 3HE TRP 54 -12.203 1.112 2.126 431 HZ2 TRP 54 2HZ TRP 54 -16.400 1.179 4.815 432 HZ3 TRP 54 3HZ TRP 54 -14.103 -0.344 1.557 433 HH2 TRP 54 HH TRP 54 -16.156 -0.311 2.875 434 H HIS 55 H HIS 55 -8.293 1.273 4.245 435 HA HIS 55 HA HIS 55 -6.235 3.231 3.466 436 1HB HIS 55 2HB HIS 55 -5.708 0.333 4.118 437 2HB HIS 55 1HB HIS 55 -4.558 1.667 4.065 438 HD1 HIS 55 1HD HIS 55 -5.387 3.657 5.974 439 HD2 HIS 55 2HD HIS 55 -6.251 -0.346 6.656 440 HE1 HIS 55 1HE HIS 55 -5.790 3.473 8.443 441 HE2 HIS 55 2HE HIS 55 -6.205 1.022 8.853 442 H CYS 56 H CYS 56 -5.571 3.169 1.335 443 HA CYS 56 HA CYS 56 -6.444 0.859 -0.260 444 1HB CYS 56 2HB CYS 56 -8.157 2.591 -0.492 445 2HB CYS 56 1HB CYS 56 -6.933 3.746 -1.004 446 HG CYS 56 HG CYS 56 -8.363 2.444 -2.976 447 H ILE 57 H ILE 57 -5.192 0.278 -1.922 448 HA ILE 57 HA ILE 57 -2.858 1.930 -2.594 449 HB ILE 57 HB ILE 57 -2.784 -1.057 -2.117 450 1HG1 ILE 57 2HG1 ILE 57 -1.133 -0.410 -0.315 451 2HG1 ILE 57 1HG1 ILE 57 -1.642 1.259 -0.543 452 1HG2 ILE 57 1HG2 ILE 57 -0.224 -0.434 -2.336 453 2HG2 ILE 57 2HG2 ILE 57 -0.876 0.858 -3.341 454 3HG2 ILE 57 3HG2 ILE 57 -1.211 -0.823 -3.742 455 1HD1 ILE 57 1HD1 ILE 57 -3.913 -0.468 -0.145 456 2HD1 ILE 57 2HD1 ILE 57 -3.409 0.963 0.755 457 3HD1 ILE 57 3HD1 ILE 57 -2.749 -0.618 1.172 458 H VAL 58 H VAL 58 -2.056 1.608 -4.743 459 HA VAL 58 HA VAL 58 -3.474 -0.201 -6.499 460 HB VAL 58 HB VAL 58 -3.657 2.776 -6.987 461 1HG1 VAL 58 1HG1 VAL 58 -5.364 1.015 -8.557 462 2HG1 VAL 58 2HG1 VAL 58 -3.645 0.733 -8.834 463 3HG1 VAL 58 3HG1 VAL 58 -4.325 2.342 -9.074 464 1HG2 VAL 58 1HG2 VAL 58 -5.172 2.210 -5.228 465 2HG2 VAL 58 2HG2 VAL 58 -5.739 0.787 -6.100 466 3HG2 VAL 58 3HG2 VAL 58 -6.111 2.399 -6.708 467 H GLY 59 H GLY 59 -2.238 -0.836 -8.160 468 1HA GLY 59 2HA GLY 59 -0.328 0.735 -9.493 469 2HA GLY 59 1HA GLY 59 0.494 -0.202 -8.254 470 H ARG 60 H ARG 60 1.556 -1.757 -9.353 471 HA ARG 60 HA ARG 60 0.186 -3.956 -10.418 472 1HB ARG 60 2HB ARG 60 0.777 -3.746 -12.814 473 2HB ARG 60 1HB ARG 60 -0.379 -2.531 -12.287 474 1HG ARG 60 2HG ARG 60 1.428 -0.886 -12.130 475 2HG ARG 60 1HG ARG 60 2.577 -2.107 -12.678 476 1HD ARG 60 2HD ARG 60 1.367 -2.310 -14.787 477 2HD ARG 60 1HD ARG 60 0.186 -1.124 -14.235 478 HE ARG 60 HE ARG 60 1.627 0.501 -14.903 479 1HH1 ARG 60 1HH1 ARG 60 3.482 -2.401 -14.329 480 2HH1 ARG 60 2HH1 ARG 60 4.985 -1.679 -14.794 481 1HH2 ARG 60 1HH2 ARG 60 3.602 1.446 -15.519 482 2HH2 ARG 60 2HH2 ARG 60 5.055 0.502 -15.471 483 H ASN 61 H ASN 61 2.334 -3.466 -8.668 484 HA ASN 61 HA ASN 61 4.070 -5.500 -9.098 485 1HB ASN 61 2HB ASN 61 4.847 -4.378 -11.147 486 2HB ASN 61 1HB ASN 61 5.261 -2.947 -10.215 487 1HD2 ASN 61 1HD2 ASN 61 5.912 -5.840 -8.541 488 2HD2 ASN 61 2HD2 ASN 61 7.605 -5.911 -8.861 489 H PHE 62 H PHE 62 3.550 -5.336 -6.802 490 HA PHE 62 HA PHE 62 5.653 -4.147 -5.298 491 1HB PHE 62 2HB PHE 62 4.415 -2.487 -4.064 492 2HB PHE 62 1HB PHE 62 4.261 -2.142 -5.784 493 HD1 PHE 62 1HD PHE 62 2.159 -3.366 -6.901 494 HD2 PHE 62 2HD PHE 62 2.512 -2.319 -2.796 495 HE1 PHE 62 1HE PHE 62 -0.291 -3.404 -6.690 496 HE2 PHE 62 2HE PHE 62 0.062 -2.355 -2.574 497 HZ PHE 62 HZ PHE 62 -1.345 -2.897 -4.522 498 H GLY 63 H GLY 63 5.880 -5.097 -3.370 499 1HA GLY 63 2HA GLY 63 3.803 -7.015 -2.545 500 2HA GLY 63 1HA GLY 63 5.490 -7.061 -2.047 501 H SER 64 H SER 64 2.867 -6.936 -0.474 502 HA SER 64 HA SER 64 3.840 -4.989 1.424 503 1HB SER 64 2HB SER 64 1.145 -4.562 0.124 504 2HB SER 64 1HB SER 64 1.796 -3.633 1.473 505 HG SER 64 HG SER 64 2.654 -3.698 -1.210 506 H TYR 65 H TYR 65 2.961 -5.091 3.442 507 HA TYR 65 HA TYR 65 1.066 -7.277 3.992 508 1HB TYR 65 2HB TYR 65 3.442 -7.867 4.588 509 2HB TYR 65 1HB TYR 65 3.438 -6.521 5.720 510 HD1 TYR 65 1HD TYR 65 1.320 -6.590 7.400 511 HD2 TYR 65 2HD TYR 65 3.047 -9.954 5.449 512 HE1 TYR 65 1HE TYR 65 0.391 -8.067 9.131 513 HE2 TYR 65 2HE TYR 65 2.124 -11.438 7.177 514 HH TYR 65 HH TYR 65 1.374 -11.253 9.554 515 H VAL 66 H VAL 66 -0.581 -6.719 5.375 516 HA VAL 66 HA VAL 66 -0.386 -4.318 7.013 517 HB VAL 66 HB VAL 66 -2.551 -4.540 4.924 518 1HG1 VAL 66 1HG1 VAL 66 -2.889 -2.129 5.489 519 2HG1 VAL 66 2HG1 VAL 66 -1.769 -2.352 6.830 520 3HG1 VAL 66 3HG1 VAL 66 -3.284 -3.254 6.787 521 1HG2 VAL 66 1HG2 VAL 66 -0.496 -4.187 3.740 522 2HG2 VAL 66 2HG2 VAL 66 -0.015 -2.912 4.860 523 3HG2 VAL 66 3HG2 VAL 66 -1.385 -2.664 3.776 524 H THR 67 H THR 67 -2.378 -3.987 8.335 525 HA THR 67 HA THR 67 -3.793 -6.533 8.815 526 HB THR 67 HB THR 67 -3.026 -4.397 10.828 527 HG1 THR 67 1HG THR 67 -1.285 -5.526 10.994 528 1HG2 THR 67 1HG2 THR 67 -4.538 -6.968 11.176 529 2HG2 THR 67 2HG2 THR 67 -5.054 -5.335 11.599 530 3HG2 THR 67 3HG2 THR 67 -3.753 -6.111 12.503 531 H HIS 68 H HIS 68 -6.018 -6.359 9.502 532 HA HIS 68 HA HIS 68 -7.344 -3.806 9.402 533 1HB HIS 68 2HB HIS 68 -8.692 -4.381 7.379 534 2HB HIS 68 1HB HIS 68 -6.983 -4.115 7.039 535 HD1 HIS 68 1HD HIS 68 -9.425 -6.971 7.508 536 HD2 HIS 68 2HD HIS 68 -5.698 -6.203 5.840 537 HE1 HIS 68 1HE HIS 68 -8.778 -9.082 6.308 538 HE2 HIS 68 2HE HIS 68 -6.490 -8.618 5.363 539 H GLU 69 H GLU 69 -9.374 -3.854 10.208 540 HA GLU 69 HA GLU 69 -10.162 -5.965 11.856 541 1HB GLU 69 2HB GLU 69 -10.887 -3.663 12.215 542 2HB GLU 69 1HB GLU 69 -11.799 -3.693 10.713 543 1HG GLU 69 2HG GLU 69 -13.261 -5.410 11.630 544 2HG GLU 69 1HG GLU 69 -12.343 -5.388 13.135 545 H THR 70 H THR 70 -11.735 -7.559 11.672 546 HA THR 70 HA THR 70 -12.010 -8.853 9.230 547 HB THR 70 HB THR 70 -13.829 -10.153 10.318 548 HG1 THR 70 1HG THR 70 -14.399 -9.638 12.426 549 1HG2 THR 70 1HG2 THR 70 -11.161 -10.128 11.027 550 2HG2 THR 70 2HG2 THR 70 -12.343 -11.382 11.400 551 3HG2 THR 70 3HG2 THR 70 -12.022 -10.098 12.566 552 H LYS 71 H LYS 71 -13.760 -9.129 7.800 553 HA LYS 71 HA LYS 71 -15.467 -8.432 6.463 554 1HB LYS 71 2HB LYS 71 -16.468 -7.042 8.956 555 2HB LYS 71 1HB LYS 71 -17.408 -7.379 7.511 556 1HG LYS 71 2HG LYS 71 -16.233 -9.445 9.361 557 2HG LYS 71 1HG LYS 71 -17.920 -8.935 9.318 558 1HD LYS 71 2HD LYS 71 -18.031 -10.825 8.027 559 2HD LYS 71 1HD LYS 71 -17.716 -9.616 6.782 560 1HE LYS 71 2HE LYS 71 -15.328 -10.169 6.859 561 2HE LYS 71 1HE LYS 71 -15.647 -11.368 8.107 562 1HZ LYS 71 1HZ LYS 71 -15.542 -11.937 5.515 563 2HZ LYS 71 2HZ LYS 71 -17.199 -11.635 5.670 564 3HZ LYS 71 3HZ LYS 71 -16.464 -12.823 6.623 565 H HIS 72 H HIS 72 -13.085 -6.962 6.500 566 HA HIS 72 HA HIS 72 -14.002 -4.500 5.313 567 1HB HIS 72 2HB HIS 72 -12.180 -4.397 7.728 568 2HB HIS 72 1HB HIS 72 -12.608 -3.028 6.710 569 HD1 HIS 72 1HD HIS 72 -15.458 -2.823 6.574 570 HD2 HIS 72 2HD HIS 72 -13.667 -4.418 9.967 571 HE1 HIS 72 1HE HIS 72 -17.170 -2.605 8.403 572 HE2 HIS 72 2HE HIS 72 -16.034 -3.502 10.466 573 H PHE 73 H PHE 73 -12.918 -6.381 3.891 574 HA PHE 73 HA PHE 73 -10.365 -5.294 3.094 575 1HB PHE 73 2HB PHE 73 -9.562 -6.865 4.718 576 2HB PHE 73 1HB PHE 73 -10.622 -8.128 4.105 577 HD1 PHE 73 1HD PHE 73 -8.079 -5.810 2.647 578 HD2 PHE 73 2HD PHE 73 -9.528 -9.796 2.999 579 HE1 PHE 73 1HE PHE 73 -6.288 -6.590 1.153 580 HE2 PHE 73 2HE PHE 73 -7.735 -10.584 1.507 581 HZ PHE 73 HZ PHE 73 -6.114 -8.978 0.582 582 H ILE 74 H ILE 74 -9.938 -5.592 0.951 583 HA ILE 74 HA ILE 74 -11.201 -7.614 -0.621 584 HB ILE 74 HB ILE 74 -13.126 -6.139 -0.372 585 1HG1 ILE 74 2HG1 ILE 74 -11.901 -5.983 -3.136 586 2HG1 ILE 74 1HG1 ILE 74 -12.823 -7.339 -2.496 587 1HG2 ILE 74 1HG2 ILE 74 -12.651 -3.873 -1.807 588 2HG2 ILE 74 2HG2 ILE 74 -11.128 -4.079 -0.942 589 3HG2 ILE 74 3HG2 ILE 74 -12.644 -3.976 -0.046 590 1HD1 ILE 74 1HD1 ILE 74 -14.429 -6.279 -3.712 591 2HD1 ILE 74 2HD1 ILE 74 -13.753 -4.676 -3.414 592 3HD1 ILE 74 3HD1 ILE 74 -14.661 -5.501 -2.146 593 H TYR 75 H TYR 75 -10.246 -7.863 -2.587 594 HA TYR 75 HA TYR 75 -8.388 -5.810 -3.545 595 1HB TYR 75 2HB TYR 75 -7.129 -7.443 -2.134 596 2HB TYR 75 1HB TYR 75 -7.650 -8.729 -3.213 597 HD1 TYR 75 1HD TYR 75 -7.102 -8.170 -5.812 598 HD2 TYR 75 2HD TYR 75 -5.012 -6.634 -2.441 599 HE1 TYR 75 1HE TYR 75 -5.129 -7.775 -7.222 600 HE2 TYR 75 2HE TYR 75 -3.034 -6.233 -3.840 601 HH TYR 75 HH TYR 75 -2.363 -6.009 -6.062 602 H PHE 76 H PHE 76 -8.357 -5.643 -5.760 603 HA PHE 76 HA PHE 76 -9.143 -7.804 -7.463 604 1HB PHE 76 2HB PHE 76 -11.174 -6.709 -8.375 605 2HB PHE 76 1HB PHE 76 -11.353 -7.184 -6.690 606 HD1 PHE 76 1HD PHE 76 -10.397 -4.242 -8.771 607 HD2 PHE 76 2HD PHE 76 -12.205 -5.663 -5.191 608 HE1 PHE 76 1HE PHE 76 -11.059 -1.943 -8.197 609 HE2 PHE 76 2HE PHE 76 -12.875 -3.367 -4.613 610 HZ PHE 76 HZ PHE 76 -12.302 -1.504 -6.118 611 H TYR 77 H TYR 77 -8.504 -7.528 -9.531 612 HA TYR 77 HA TYR 77 -6.853 -5.244 -10.152 613 1HB TYR 77 2HB TYR 77 -7.645 -7.610 -11.873 614 2HB TYR 77 1HB TYR 77 -6.389 -6.437 -12.255 615 HD1 TYR 77 1HD TYR 77 -4.583 -6.188 -10.254 616 HD2 TYR 77 2HD TYR 77 -6.946 -9.633 -11.051 617 HE1 TYR 77 1HE TYR 77 -2.929 -7.585 -9.089 618 HE2 TYR 77 2HE TYR 77 -5.299 -11.039 -9.888 619 HH TYR 77 HH TYR 77 -3.495 -10.578 -7.993 620 H LEU 78 H LEU 78 -7.190 -3.838 -12.004 621 HA LEU 78 HA LEU 78 -9.722 -3.933 -13.376 622 1HB LEU 78 2HB LEU 78 -10.387 -2.895 -11.268 623 2HB LEU 78 1HB LEU 78 -9.161 -1.660 -11.475 624 HG LEU 78 HG LEU 78 -10.318 -0.756 -13.400 625 1HD1 LEU 78 1HD1 LEU 78 -11.617 -3.327 -13.383 626 2HD1 LEU 78 2HD1 LEU 78 -11.558 -2.106 -14.653 627 3HD1 LEU 78 3HD1 LEU 78 -12.804 -2.023 -13.407 628 1HD2 LEU 78 1HD2 LEU 78 -11.648 0.444 -12.081 629 2HD2 LEU 78 2HD2 LEU 78 -11.241 -0.676 -10.780 630 3HD2 LEU 78 3HD2 LEU 78 -12.689 -0.941 -11.752 631 H GLY 79 H GLY 79 -9.571 -3.084 -15.335 632 1HA GLY 79 2HA GLY 79 -8.797 -1.927 -17.154 633 2HA GLY 79 1HA GLY 79 -8.066 -0.790 -16.030 634 H GLN 80 H GLN 80 -6.111 -1.766 -14.855 635 HA GLN 80 HA GLN 80 -4.573 -3.790 -15.943 636 1HB GLN 80 2HB GLN 80 -2.875 -2.524 -17.214 637 2HB GLN 80 1HB GLN 80 -4.458 -2.447 -17.977 638 1HG GLN 80 2HG GLN 80 -4.804 -0.219 -17.039 639 2HG GLN 80 1HG GLN 80 -3.219 -0.298 -16.270 640 1HE2 GLN 80 1HE2 GLN 80 -1.730 0.793 -17.309 641 2HE2 GLN 80 2HE2 GLN 80 -1.631 1.025 -19.018 642 H VAL 81 H VAL 81 -5.246 -2.690 -13.441 643 HA VAL 81 HA VAL 81 -2.623 -2.502 -12.262 644 HB VAL 81 HB VAL 81 -3.063 -0.402 -11.041 645 1HG1 VAL 81 1HG1 VAL 81 -1.761 -0.469 -13.179 646 2HG1 VAL 81 2HG1 VAL 81 -2.485 1.096 -12.804 647 3HG1 VAL 81 3HG1 VAL 81 -3.227 0.048 -14.014 648 1HG2 VAL 81 1HG2 VAL 81 -5.597 -0.547 -12.571 649 2HG2 VAL 81 2HG2 VAL 81 -4.883 1.048 -12.329 650 3HG2 VAL 81 3HG2 VAL 81 -5.291 0.043 -10.937 651 H ALA 82 H ALA 82 -2.609 -3.273 -10.216 652 HA ALA 82 HA ALA 82 -4.925 -4.597 -9.239 653 1HB ALA 82 1HB ALA 82 -3.261 -5.787 -8.364 654 2HB ALA 82 2HB ALA 82 -3.115 -4.525 -7.141 655 3HB ALA 82 3HB ALA 82 -2.106 -4.474 -8.587 656 H ILE 83 H ILE 83 -6.331 -4.060 -7.643 657 HA ILE 83 HA ILE 83 -5.968 -1.423 -6.378 658 HB ILE 83 HB ILE 83 -8.582 -2.699 -7.195 659 1HG1 ILE 83 2HG1 ILE 83 -7.106 -0.317 -8.339 660 2HG1 ILE 83 1HG1 ILE 83 -7.292 -1.884 -9.119 661 1HG2 ILE 83 1HG2 ILE 83 -8.717 -1.328 -5.147 662 2HG2 ILE 83 2HG2 ILE 83 -9.623 -0.633 -6.491 663 3HG2 ILE 83 3HG2 ILE 83 -8.054 0.039 -6.045 664 1HD1 ILE 83 1HD1 ILE 83 -8.820 0.021 -9.856 665 2HD1 ILE 83 2HD1 ILE 83 -9.670 -0.245 -8.332 666 3HD1 ILE 83 3HD1 ILE 83 -9.557 -1.545 -9.521 667 H LEU 84 H LEU 84 -6.106 -1.339 -4.219 668 HA LEU 84 HA LEU 84 -7.206 -3.670 -2.798 669 1HB LEU 84 2HB LEU 84 -4.763 -3.769 -2.751 670 2HB LEU 84 1HB LEU 84 -4.697 -2.141 -2.102 671 HG LEU 84 HG LEU 84 -5.829 -2.916 -0.056 672 1HD1 LEU 84 1HD1 LEU 84 -5.400 -5.740 -0.434 673 2HD1 LEU 84 2HD1 LEU 84 -6.537 -5.109 -1.625 674 3HD1 LEU 84 3HD1 LEU 84 -6.847 -4.883 0.095 675 1HD2 LEU 84 1HD2 LEU 84 -3.555 -4.795 -0.392 676 2HD2 LEU 84 2HD2 LEU 84 -3.910 -3.668 0.917 677 3HD2 LEU 84 3HD2 LEU 84 -3.247 -3.072 -0.605 678 H LEU 85 H LEU 85 -8.416 -3.249 -1.002 679 HA LEU 85 HA LEU 85 -8.473 -0.589 0.150 680 1HB LEU 85 2HB LEU 85 -10.016 -0.405 -1.751 681 2HB LEU 85 1HB LEU 85 -10.921 -1.783 -1.153 682 HG LEU 85 HG LEU 85 -11.526 -0.499 0.864 683 1HD1 LEU 85 1HD1 LEU 85 -9.896 1.627 -0.490 684 2HD1 LEU 85 2HD1 LEU 85 -9.760 1.014 1.158 685 3HD1 LEU 85 3HD1 LEU 85 -11.140 2.013 0.700 686 1HD2 LEU 85 1HD2 LEU 85 -13.304 0.466 -0.145 687 2HD2 LEU 85 2HD2 LEU 85 -12.676 -0.392 -1.552 688 3HD2 LEU 85 3HD2 LEU 85 -12.311 1.320 -1.326 689 H PHE 86 H PHE 86 -9.125 -0.592 2.255 690 HA PHE 86 HA PHE 86 -10.743 -2.598 3.436 691 1HB PHE 86 2HB PHE 86 -8.956 -3.637 4.856 692 2HB PHE 86 1HB PHE 86 -8.857 -4.058 3.150 693 HD1 PHE 86 1HD PHE 86 -7.188 -2.815 1.703 694 HD2 PHE 86 2HD PHE 86 -7.149 -2.652 5.952 695 HE1 PHE 86 1HE PHE 86 -4.858 -2.032 1.646 696 HE2 PHE 86 2HE PHE 86 -4.815 -1.877 5.907 697 HZ PHE 86 HZ PHE 86 -3.666 -1.564 3.749 698 H LYS 87 H LYS 87 -11.534 -1.862 5.334 699 HA LYS 87 HA LYS 87 -10.267 0.531 6.455 700 1HB LYS 87 2HB LYS 87 -12.381 1.076 7.467 701 2HB LYS 87 1HB LYS 87 -12.634 0.740 5.762 702 1HG LYS 87 2HG LYS 87 -13.585 -1.382 6.230 703 2HG LYS 87 1HG LYS 87 -13.102 -1.291 7.925 704 1HD LYS 87 2HD LYS 87 -15.073 0.550 6.571 705 2HD LYS 87 1HD LYS 87 -15.501 -0.817 7.599 706 1HE LYS 87 2HE LYS 87 -14.291 0.239 9.465 707 2HE LYS 87 1HE LYS 87 -13.935 1.622 8.431 708 1HZ LYS 87 1HZ LYS 87 -16.734 0.873 8.631 709 2HZ LYS 87 2HZ LYS 87 -16.022 2.406 8.611 710 3HZ LYS 87 3HZ LYS 87 -16.041 1.503 10.041 711 H SER 88 H SER 88 -10.006 0.772 8.705 712 HA SER 88 HA SER 88 -10.045 -1.754 10.216 713 1HB SER 88 2HB SER 88 -7.735 -1.195 9.574 714 2HB SER 88 1HB SER 88 -7.910 0.395 10.316 715 HG SER 88 HG SER 88 -7.672 -2.124 11.517 716 H GLY 89 H GLY 89 -11.009 -1.673 12.131 717 1HA GLY 89 2HA GLY 89 -12.538 0.529 12.941 718 2HA GLY 89 1HA GLY 89 -12.155 -0.859 13.948 719 1H MET 1 1HT MET 1 31.506 5.539 6.306 720 2H MET 1 2HT MET 1 31.024 7.166 6.051 721 3H MET 1 3HT MET 1 31.989 6.361 4.882 722 HA MET 1 HA MET 1 29.896 6.344 3.999 723 1HB MET 1 2HB MET 1 31.082 4.180 3.981 724 2HB MET 1 1HB MET 1 30.318 3.752 5.504 725 1HG MET 1 2HG MET 1 29.048 2.609 3.965 726 2HG MET 1 1HG MET 1 28.104 4.074 4.221 727 1HE MET 1 1HE MET 1 29.633 6.325 2.081 728 2HE MET 1 2HE MET 1 28.057 6.021 2.809 729 3HE MET 1 3HE MET 1 28.234 6.009 1.057 730 H CYS 2 H CYS 2 27.891 7.059 4.361 731 HA CYS 2 HA CYS 2 26.831 7.475 6.916 732 1HB CYS 2 2HB CYS 2 24.731 8.036 5.753 733 2HB CYS 2 1HB CYS 2 26.124 8.790 4.986 734 HG CYS 2 HG CYS 2 24.251 7.442 3.398 735 H ASP 3 H ASP 3 25.573 6.296 8.238 736 HA ASP 3 HA ASP 3 25.392 3.517 7.938 737 1HB ASP 3 2HB ASP 3 23.820 5.368 9.743 738 2HB ASP 3 1HB ASP 3 23.856 3.614 9.896 739 H ARG 4 H ARG 4 23.809 2.158 7.253 740 HA ARG 4 HA ARG 4 21.998 1.412 6.105 741 1HB ARG 4 2HB ARG 4 20.764 3.998 7.071 742 2HB ARG 4 1HB ARG 4 19.879 2.723 6.249 743 1HG ARG 4 2HG ARG 4 19.444 2.442 8.535 744 2HG ARG 4 1HG ARG 4 20.612 1.187 8.118 745 1HD ARG 4 2HD ARG 4 21.158 2.280 10.240 746 2HD ARG 4 1HD ARG 4 22.412 2.527 9.029 747 HE ARG 4 HE ARG 4 22.046 4.764 9.220 748 1HH1 ARG 4 1HH1 ARG 4 19.167 3.118 10.294 749 2HH1 ARG 4 2HH1 ARG 4 18.342 4.578 10.711 750 1HH2 ARG 4 1HH2 ARG 4 20.962 6.684 9.772 751 2HH2 ARG 4 2HH2 ARG 4 19.356 6.603 10.417 752 H LYS 5 H LYS 5 21.809 1.297 3.979 753 HA LYS 5 HA LYS 5 22.750 3.401 2.288 754 1HB LYS 5 2HB LYS 5 21.239 0.905 1.488 755 2HB LYS 5 1HB LYS 5 22.262 1.898 0.456 756 1HG LYS 5 2HG LYS 5 23.132 0.161 2.753 757 2HG LYS 5 1HG LYS 5 23.462 -0.081 1.035 758 1HD LYS 5 2HD LYS 5 24.778 1.979 0.996 759 2HD LYS 5 1HD LYS 5 24.436 2.231 2.709 760 1HE LYS 5 2HE LYS 5 26.656 1.265 2.386 761 2HE LYS 5 1HE LYS 5 25.597 0.154 3.255 762 1HZ LYS 5 1HZ LYS 5 26.864 -0.999 1.565 763 2HZ LYS 5 2HZ LYS 5 26.254 0.018 0.361 764 3HZ LYS 5 3HZ LYS 5 25.218 -1.039 1.181 765 H ALA 6 H ALA 6 19.673 2.222 3.365 766 HA ALA 6 HA ALA 6 17.937 3.319 1.520 767 1HB ALA 6 1HB ALA 6 17.437 1.788 3.500 768 2HB ALA 6 2HB ALA 6 16.231 3.007 3.095 769 3HB ALA 6 3HB ALA 6 17.323 3.264 4.454 770 H VAL 7 H VAL 7 17.129 5.297 1.092 771 HA VAL 7 HA VAL 7 18.132 7.529 2.699 772 HB VAL 7 HB VAL 7 17.558 8.911 0.745 773 1HG1 VAL 7 1HG1 VAL 7 19.594 6.782 0.737 774 2HG1 VAL 7 2HG1 VAL 7 19.786 8.533 0.631 775 3HG1 VAL 7 3HG1 VAL 7 19.326 7.607 -0.799 776 1HG2 VAL 7 1HG2 VAL 7 17.010 7.918 -1.378 777 2HG2 VAL 7 2HG2 VAL 7 15.825 7.407 -0.176 778 3HG2 VAL 7 3HG2 VAL 7 17.103 6.302 -0.678 779 H ILE 8 H ILE 8 16.771 8.966 3.615 780 HA ILE 8 HA ILE 8 13.993 8.211 3.854 781 HB ILE 8 HB ILE 8 15.554 10.470 5.116 782 1HG1 ILE 8 2HG1 ILE 8 15.225 9.130 7.184 783 2HG1 ILE 8 1HG1 ILE 8 14.460 7.872 6.218 784 1HG2 ILE 8 1HG2 ILE 8 12.656 9.867 5.110 785 2HG2 ILE 8 2HG2 ILE 8 13.494 11.411 5.253 786 3HG2 ILE 8 3HG2 ILE 8 13.378 10.339 6.648 787 1HD1 ILE 8 1HD1 ILE 8 17.247 8.802 5.649 788 2HD1 ILE 8 2HD1 ILE 8 16.463 7.293 5.182 789 3HD1 ILE 8 3HD1 ILE 8 16.905 7.573 6.866 790 H LYS 9 H LYS 9 12.212 9.411 3.218 791 HA LYS 9 HA LYS 9 12.739 11.688 1.437 792 1HB LYS 9 2HB LYS 9 10.844 9.400 0.891 793 2HB LYS 9 1HB LYS 9 10.981 10.852 -0.090 794 1HG LYS 9 2HG LYS 9 13.155 8.819 0.369 795 2HG LYS 9 1HG LYS 9 12.182 8.993 -1.092 796 1HD LYS 9 2HD LYS 9 13.079 11.242 -1.429 797 2HD LYS 9 1HD LYS 9 14.039 11.084 0.043 798 1HE LYS 9 2HE LYS 9 15.244 9.196 -0.955 799 2HE LYS 9 1HE LYS 9 14.287 9.367 -2.426 800 1HZ LYS 9 1HZ LYS 9 16.139 10.549 -2.980 801 2HZ LYS 9 2HZ LYS 9 16.441 11.070 -1.401 802 3HZ LYS 9 3HZ LYS 9 15.211 11.795 -2.309 803 H ASN 10 H ASN 10 10.457 10.036 3.565 804 HA ASN 10 HA ASN 10 9.191 12.613 4.091 805 1HB ASN 10 2HB ASN 10 7.635 10.139 3.308 806 2HB ASN 10 1HB ASN 10 6.926 11.639 3.898 807 1HD2 ASN 10 1HD2 ASN 10 7.493 9.922 1.210 808 2HD2 ASN 10 2HD2 ASN 10 7.562 11.191 0.040 809 H ALA 11 H ALA 11 10.873 11.628 5.852 810 HA ALA 11 HA ALA 11 10.008 9.715 7.688 811 1HB ALA 11 1HB ALA 11 12.019 11.818 7.608 812 2HB ALA 11 2HB ALA 11 12.096 10.203 8.311 813 3HB ALA 11 3HB ALA 11 11.389 11.532 9.231 814 H ASP 12 H ASP 12 8.830 9.811 9.599 815 HA ASP 12 HA ASP 12 7.731 12.228 10.627 816 1HB ASP 12 2HB ASP 12 6.309 12.022 8.640 817 2HB ASP 12 1HB ASP 12 5.854 10.393 9.125 818 H MET 13 H MET 13 9.097 10.647 12.107 819 HA MET 13 HA MET 13 7.362 9.766 14.132 820 1HB MET 13 2HB MET 13 6.970 7.900 12.554 821 2HB MET 13 1HB MET 13 8.687 7.526 12.592 822 1HG MET 13 2HG MET 13 8.578 6.912 14.889 823 2HG MET 13 1HG MET 13 6.924 7.504 15.026 824 1HE MET 13 1HE MET 13 8.484 3.736 13.057 825 2HE MET 13 2HE MET 13 9.258 5.319 13.125 826 3HE MET 13 3HE MET 13 8.096 4.959 11.848 827 H SER 14 H SER 14 8.551 8.717 15.944 828 HA SER 14 HA SER 14 10.714 10.113 16.785 829 1HB SER 14 2HB SER 14 10.131 7.212 17.422 830 2HB SER 14 1HB SER 14 11.181 8.270 18.364 831 HG SER 14 HG SER 14 9.439 9.478 18.956 832 H GLU 15 H GLU 15 12.889 10.076 16.614 833 HA GLU 15 HA GLU 15 14.152 9.173 14.344 834 1HB GLU 15 2HB GLU 15 15.393 9.641 17.053 835 2HB GLU 15 1HB GLU 15 16.274 9.557 15.534 836 1HG GLU 15 2HG GLU 15 15.074 11.525 14.729 837 2HG GLU 15 1HG GLU 15 14.192 11.610 16.253 838 H GLU 16 H GLU 16 13.982 7.575 17.486 839 HA GLU 16 HA GLU 16 15.664 5.423 16.855 840 1HB GLU 16 2HB GLU 16 14.633 4.285 18.776 841 2HB GLU 16 1HB GLU 16 15.061 5.948 19.155 842 1HG GLU 16 2HG GLU 16 12.737 6.621 18.848 843 2HG GLU 16 1HG GLU 16 12.304 4.956 18.462 844 H MET 17 H MET 17 12.156 5.790 16.532 845 HA MET 17 HA MET 17 11.699 3.138 15.683 846 1HB MET 17 2HB MET 17 10.064 5.621 15.149 847 2HB MET 17 1HB MET 17 9.512 3.970 14.904 848 1HG MET 17 2HG MET 17 9.749 3.531 17.289 849 2HG MET 17 1HG MET 17 10.311 5.182 17.540 850 1HE MET 17 1HE MET 17 7.538 5.860 19.342 851 2HE MET 17 2HE MET 17 8.638 4.481 19.325 852 3HE MET 17 3HE MET 17 6.909 4.234 19.075 853 H GLN 18 H GLN 18 12.204 6.144 13.874 854 HA GLN 18 HA GLN 18 11.874 4.951 11.335 855 1HB GLN 18 2HB GLN 18 12.994 6.990 10.464 856 2HB GLN 18 1HB GLN 18 11.645 7.325 11.539 857 1HG GLN 18 2HG GLN 18 13.251 7.709 13.373 858 2HG GLN 18 1HG GLN 18 14.570 7.477 12.223 859 1HE2 GLN 18 1HE2 GLN 18 12.441 9.668 13.603 860 2HE2 GLN 18 2HE2 GLN 18 12.742 11.008 12.561 861 H GLN 19 H GLN 19 14.702 5.396 13.407 862 HA GLN 19 HA GLN 19 16.551 4.563 11.400 863 1HB GLN 19 2HB GLN 19 18.192 4.433 13.197 864 2HB GLN 19 1HB GLN 19 17.264 5.922 13.316 865 1HG GLN 19 2HG GLN 19 15.908 4.952 15.076 866 2HG GLN 19 1HG GLN 19 16.803 3.440 14.951 867 1HE2 GLN 19 1HE2 GLN 19 18.263 3.190 16.468 868 2HE2 GLN 19 2HE2 GLN 19 19.167 4.444 17.238 869 H ASP 20 H ASP 20 14.848 2.911 14.023 870 HA ASP 20 HA ASP 20 16.163 0.417 13.637 871 1HB ASP 20 2HB ASP 20 13.589 1.177 15.013 872 2HB ASP 20 1HB ASP 20 14.152 -0.489 14.926 873 H SER 21 H SER 21 13.249 1.862 12.302 874 HA SER 21 HA SER 21 12.313 -0.494 11.035 875 1HB SER 21 2HB SER 21 10.841 1.437 11.403 876 2HB SER 21 1HB SER 21 11.827 2.410 10.311 877 HG SER 21 HG SER 21 11.249 0.970 8.632 878 H VAL 22 H VAL 22 14.431 2.136 10.017 879 HA VAL 22 HA VAL 22 14.714 1.316 7.329 880 HB VAL 22 HB VAL 22 16.653 2.887 9.034 881 1HG1 VAL 22 1HG1 VAL 22 16.730 3.600 6.280 882 2HG1 VAL 22 2HG1 VAL 22 16.939 1.854 6.414 883 3HG1 VAL 22 3HG1 VAL 22 18.017 2.942 7.287 884 1HG2 VAL 22 1HG2 VAL 22 14.111 3.608 8.412 885 2HG2 VAL 22 2HG2 VAL 22 15.001 4.276 7.044 886 3HG2 VAL 22 3HG2 VAL 22 15.432 4.743 8.688 887 H GLU 23 H GLU 23 16.749 0.766 10.185 888 HA GLU 23 HA GLU 23 18.626 -0.884 8.849 889 1HB GLU 23 2HB GLU 23 17.926 -0.772 11.789 890 2HB GLU 23 1HB GLU 23 19.343 -1.560 11.110 891 1HG GLU 23 2HG GLU 23 20.152 0.588 10.291 892 2HG GLU 23 1HG GLU 23 18.730 1.380 10.964 893 H CYS 24 H CYS 24 15.696 -1.511 10.690 894 HA CYS 24 HA CYS 24 15.853 -4.315 10.749 895 1HB CYS 24 2HB CYS 24 14.288 -3.000 12.132 896 2HB CYS 24 1HB CYS 24 13.383 -2.564 10.687 897 HG CYS 24 HG CYS 24 13.551 -5.540 11.554 898 H ALA 25 H ALA 25 14.772 -2.077 8.279 899 HA ALA 25 HA ALA 25 13.492 -4.008 6.627 900 1HB ALA 25 1HB ALA 25 14.272 -1.167 6.398 901 2HB ALA 25 2HB ALA 25 12.754 -1.965 5.984 902 3HB ALA 25 3HB ALA 25 14.130 -2.062 4.885 903 H THR 26 H THR 26 16.714 -2.598 6.805 904 HA THR 26 HA THR 26 17.764 -3.742 4.489 905 HB THR 26 HB THR 26 19.182 -3.052 7.067 906 HG1 THR 26 1HG THR 26 19.611 -1.102 6.019 907 1HG2 THR 26 1HG2 THR 26 20.422 -4.525 5.355 908 2HG2 THR 26 2HG2 THR 26 21.219 -3.083 5.984 909 3HG2 THR 26 3HG2 THR 26 20.482 -3.055 4.382 910 H GLN 27 H GLN 27 17.643 -4.921 7.810 911 HA GLN 27 HA GLN 27 19.082 -7.297 7.443 912 1HB GLN 27 2HB GLN 27 16.796 -6.755 9.352 913 2HB GLN 27 1HB GLN 27 17.933 -8.091 9.474 914 1HG GLN 27 2HG GLN 27 18.621 -5.168 9.679 915 2HG GLN 27 1HG GLN 27 18.478 -6.297 11.024 916 1HE2 GLN 27 1HE2 GLN 27 20.339 -6.994 11.755 917 2HE2 GLN 27 2HE2 GLN 27 21.783 -7.224 10.833 918 H ALA 28 H ALA 28 15.649 -6.540 7.076 919 HA ALA 28 HA ALA 28 14.630 -9.075 6.620 920 1HB ALA 28 1HB ALA 28 12.719 -8.025 6.009 921 2HB ALA 28 2HB ALA 28 13.550 -6.899 4.936 922 3HB ALA 28 3HB ALA 28 13.556 -6.622 6.677 923 H LEU 29 H LEU 29 16.001 -6.786 4.265 924 HA LEU 29 HA LEU 29 15.579 -8.362 1.993 925 1HB LEU 29 2HB LEU 29 17.597 -6.228 2.615 926 2HB LEU 29 1HB LEU 29 17.528 -7.015 1.049 927 HG LEU 29 HG LEU 29 15.160 -5.622 2.261 928 1HD1 LEU 29 1HD1 LEU 29 16.960 -3.995 2.027 929 2HD1 LEU 29 2HD1 LEU 29 15.706 -3.713 0.818 930 3HD1 LEU 29 3HD1 LEU 29 17.215 -4.502 0.358 931 1HD2 LEU 29 1HD2 LEU 29 15.826 -6.428 -0.564 932 2HD2 LEU 29 2HD2 LEU 29 14.361 -5.599 -0.043 933 3HD2 LEU 29 3HD2 LEU 29 14.683 -7.243 0.503 934 H GLU 30 H GLU 30 18.348 -8.155 4.170 935 HA GLU 30 HA GLU 30 20.019 -9.922 2.759 936 1HB GLU 30 2HB GLU 30 19.974 -9.266 5.707 937 2HB GLU 30 1HB GLU 30 21.282 -10.101 4.880 938 1HG GLU 30 2HG GLU 30 21.638 -8.122 3.474 939 2HG GLU 30 1HG GLU 30 20.358 -7.286 4.352 940 H LYS 31 H LYS 31 17.496 -10.500 5.139 941 HA LYS 31 HA LYS 31 18.203 -13.291 5.387 942 1HB LYS 31 2HB LYS 31 16.290 -13.442 6.910 943 2HB LYS 31 1HB LYS 31 17.371 -12.127 7.350 944 1HG LYS 31 2HG LYS 31 15.871 -10.507 6.408 945 2HG LYS 31 1HG LYS 31 14.825 -11.782 5.785 946 1HD LYS 31 2HD LYS 31 13.922 -10.799 7.840 947 2HD LYS 31 1HD LYS 31 14.322 -12.504 8.056 948 1HE LYS 31 2HE LYS 31 15.036 -11.188 9.979 949 2HE LYS 31 1HE LYS 31 16.421 -11.878 9.137 950 1HZ LYS 31 1HZ LYS 31 17.130 -9.852 8.450 951 2HZ LYS 31 2HZ LYS 31 16.346 -9.363 9.868 952 3HZ LYS 31 3HZ LYS 31 15.574 -9.188 8.374 953 H TYR 32 H TYR 32 15.672 -11.379 3.828 954 HA TYR 32 HA TYR 32 14.767 -13.865 2.539 955 1HB TYR 32 2HB TYR 32 13.134 -11.428 3.251 956 2HB TYR 32 1HB TYR 32 12.534 -12.798 2.323 957 HD1 TYR 32 1HD TYR 32 13.185 -15.154 3.604 958 HD2 TYR 32 2HD TYR 32 12.428 -11.390 5.437 959 HE1 TYR 32 1HE TYR 32 12.564 -16.301 5.688 960 HE2 TYR 32 2HE TYR 32 11.807 -12.527 7.528 961 HH TYR 32 HH TYR 32 12.552 -15.624 8.228 962 H ASN 33 H ASN 33 15.181 -10.374 2.054 963 HA ASN 33 HA ASN 33 15.627 -9.156 0.180 964 1HB ASN 33 2HB ASN 33 17.403 -10.858 -0.189 965 2HB ASN 33 1HB ASN 33 16.254 -11.834 -1.091 966 1HD2 ASN 33 1HD2 ASN 33 15.700 -8.552 -1.651 967 2HD2 ASN 33 2HD2 ASN 33 16.562 -8.412 -3.135 968 H ILE 34 H ILE 34 13.004 -9.718 0.705 969 HA ILE 34 HA ILE 34 11.854 -9.664 -1.973 970 HB ILE 34 HB ILE 34 10.817 -11.523 0.176 971 1HG1 ILE 34 2HG1 ILE 34 12.853 -12.359 -0.954 972 2HG1 ILE 34 1HG1 ILE 34 11.436 -13.335 -1.329 973 1HG2 ILE 34 1HG2 ILE 34 9.228 -12.258 -1.578 974 2HG2 ILE 34 2HG2 ILE 34 9.799 -10.937 -2.598 975 3HG2 ILE 34 3HG2 ILE 34 8.988 -10.586 -1.071 976 1HD1 ILE 34 1HD1 ILE 34 11.325 -12.560 -3.508 977 2HD1 ILE 34 2HD1 ILE 34 13.058 -12.722 -3.220 978 3HD1 ILE 34 3HD1 ILE 34 12.298 -11.132 -3.154 979 H GLU 35 H GLU 35 10.726 -7.855 -2.047 980 HA GLU 35 HA GLU 35 10.123 -6.120 -0.063 981 1HB GLU 35 2HB GLU 35 8.443 -5.134 -1.510 982 2HB GLU 35 1HB GLU 35 9.843 -5.624 -2.448 983 1HG GLU 35 2HG GLU 35 7.344 -7.277 -2.222 984 2HG GLU 35 1HG GLU 35 7.608 -6.082 -3.487 985 H LYS 36 H LYS 36 8.096 -8.847 -1.057 986 HA LYS 36 HA LYS 36 5.858 -8.238 0.524 987 1HB LYS 36 2HB LYS 36 5.841 -9.915 -1.276 988 2HB LYS 36 1HB LYS 36 6.891 -10.950 -0.319 989 1HG LYS 36 2HG LYS 36 5.067 -10.926 1.443 990 2HG LYS 36 1HG LYS 36 4.032 -10.204 0.209 991 1HD LYS 36 2HD LYS 36 3.678 -12.583 0.227 992 2HD LYS 36 1HD LYS 36 4.521 -12.142 -1.258 993 1HE LYS 36 2HE LYS 36 6.635 -12.855 -0.295 994 2HE LYS 36 1HE LYS 36 5.831 -13.235 1.228 995 1HZ LYS 36 1HZ LYS 36 5.918 -14.738 -1.244 996 2HZ LYS 36 2HZ LYS 36 4.398 -14.680 -0.505 997 3HZ LYS 36 3HZ LYS 36 5.730 -15.280 0.347 998 H ASP 37 H ASP 37 8.487 -10.553 1.180 999 HA ASP 37 HA ASP 37 7.699 -11.211 3.780 1000 1HB ASP 37 2HB ASP 37 10.462 -11.260 2.556 1001 2HB ASP 37 1HB ASP 37 10.009 -12.060 4.059 1002 H ILE 38 H ILE 38 9.896 -8.679 2.639 1003 HA ILE 38 HA ILE 38 11.059 -7.839 4.970 1004 HB ILE 38 HB ILE 38 10.006 -6.077 2.750 1005 1HG1 ILE 38 2HG1 ILE 38 12.784 -7.191 3.180 1006 2HG1 ILE 38 1HG1 ILE 38 11.606 -7.877 2.073 1007 1HG2 ILE 38 1HG2 ILE 38 11.529 -4.388 3.487 1008 2HG2 ILE 38 2HG2 ILE 38 12.190 -5.451 4.728 1009 3HG2 ILE 38 3HG2 ILE 38 10.533 -4.860 4.861 1010 1HD1 ILE 38 1HD1 ILE 38 13.265 -5.468 1.818 1011 2HD1 ILE 38 2HD1 ILE 38 11.614 -5.341 1.211 1012 3HD1 ILE 38 3HD1 ILE 38 12.689 -6.591 0.587 1013 H ALA 39 H ALA 39 8.033 -6.474 3.663 1014 HA ALA 39 HA ALA 39 7.430 -4.952 5.953 1015 1HB ALA 39 1HB ALA 39 6.004 -5.732 3.484 1016 2HB ALA 39 2HB ALA 39 6.281 -4.136 4.183 1017 3HB ALA 39 3HB ALA 39 5.021 -5.182 4.840 1018 H ALA 40 H ALA 40 6.929 -8.305 5.242 1019 HA ALA 40 HA ALA 40 4.721 -8.771 6.938 1020 1HB ALA 40 1HB ALA 40 6.686 -10.412 5.499 1021 2HB ALA 40 2HB ALA 40 4.934 -10.573 5.615 1022 3HB ALA 40 3HB ALA 40 5.963 -11.166 6.918 1023 H HIS 41 H HIS 41 8.125 -9.677 7.508 1024 HA HIS 41 HA HIS 41 7.715 -10.243 10.234 1025 1HB HIS 41 2HB HIS 41 9.865 -10.962 10.238 1026 2HB HIS 41 1HB HIS 41 9.647 -10.877 8.495 1027 HD1 HIS 41 1HD HIS 41 11.028 -8.765 11.323 1028 HD2 HIS 41 2HD HIS 41 11.460 -9.290 7.225 1029 HE1 HIS 41 1HE HIS 41 12.987 -7.336 10.669 1030 HE2 HIS 41 2HE HIS 41 13.346 -7.824 8.229 1031 H ILE 42 H ILE 42 9.014 -7.383 8.590 1032 HA ILE 42 HA ILE 42 9.843 -5.986 10.866 1033 HB ILE 42 HB ILE 42 8.791 -4.856 8.269 1034 1HG1 ILE 42 2HG1 ILE 42 11.632 -5.353 9.157 1035 2HG1 ILE 42 1HG1 ILE 42 10.732 -6.407 8.072 1036 1HG2 ILE 42 1HG2 ILE 42 10.473 -3.552 10.404 1037 2HG2 ILE 42 2HG2 ILE 42 8.780 -3.192 10.059 1038 3HG2 ILE 42 3HG2 ILE 42 10.021 -2.835 8.858 1039 1HD1 ILE 42 1HD1 ILE 42 11.839 -3.690 7.600 1040 2HD1 ILE 42 2HD1 ILE 42 10.418 -4.214 6.695 1041 3HD1 ILE 42 3HD1 ILE 42 11.918 -5.136 6.593 1042 H LYS 43 H LYS 43 6.708 -5.902 9.177 1043 HA LYS 43 HA LYS 43 5.518 -3.961 10.823 1044 1HB LYS 43 2HB LYS 43 4.695 -4.790 8.579 1045 2HB LYS 43 1HB LYS 43 4.075 -6.206 9.411 1046 1HG LYS 43 2HG LYS 43 3.258 -3.380 10.049 1047 2HG LYS 43 1HG LYS 43 2.383 -4.442 8.949 1048 1HD LYS 43 2HD LYS 43 2.840 -4.869 11.901 1049 2HD LYS 43 1HD LYS 43 1.320 -4.481 11.110 1050 1HE LYS 43 2HE LYS 43 1.443 -6.611 9.881 1051 2HE LYS 43 1HE LYS 43 2.920 -7.009 10.755 1052 1HZ LYS 43 1HZ LYS 43 1.778 -7.576 12.576 1053 2HZ LYS 43 2HZ LYS 43 0.444 -7.693 11.544 1054 3HZ LYS 43 3HZ LYS 43 0.694 -6.284 12.444 1055 H LYS 44 H LYS 44 5.270 -7.519 10.939 1056 HA LYS 44 HA LYS 44 3.645 -7.661 13.203 1057 1HB LYS 44 2HB LYS 44 4.451 -9.981 13.427 1058 2HB LYS 44 1HB LYS 44 3.994 -9.587 11.777 1059 1HG LYS 44 2HG LYS 44 6.391 -9.226 11.258 1060 2HG LYS 44 1HG LYS 44 6.785 -9.781 12.885 1061 1HD LYS 44 2HD LYS 44 5.327 -11.380 10.780 1062 2HD LYS 44 1HD LYS 44 7.017 -11.586 11.243 1063 1HE LYS 44 2HE LYS 44 6.336 -12.170 13.501 1064 2HE LYS 44 1HE LYS 44 4.646 -11.945 13.059 1065 1HZ LYS 44 1HZ LYS 44 6.505 -13.999 11.994 1066 2HZ LYS 44 2HZ LYS 44 4.944 -13.731 11.397 1067 3HZ LYS 44 3HZ LYS 44 5.160 -14.261 12.988 1068 H GLU 45 H GLU 45 7.170 -7.489 12.945 1069 HA GLU 45 HA GLU 45 7.786 -7.989 15.630 1070 1HB GLU 45 2HB GLU 45 9.488 -7.915 13.869 1071 2HB GLU 45 1HB GLU 45 9.216 -6.191 13.660 1072 1HG GLU 45 2HG GLU 45 10.004 -5.788 15.937 1073 2HG GLU 45 1HG GLU 45 10.278 -7.518 16.145 1074 H PHE 46 H PHE 46 7.292 -4.863 13.983 1075 HA PHE 46 HA PHE 46 7.499 -3.294 16.322 1076 1HB PHE 46 2HB PHE 46 6.270 -2.785 13.620 1077 2HB PHE 46 1HB PHE 46 6.238 -1.583 14.900 1078 HD1 PHE 46 1HD PHE 46 8.626 -1.189 16.028 1079 HD2 PHE 46 2HD PHE 46 7.958 -2.627 12.080 1080 HE1 PHE 46 1HE PHE 46 10.855 -0.396 15.369 1081 HE2 PHE 46 2HE PHE 46 10.192 -1.839 11.412 1082 HZ PHE 46 HZ PHE 46 11.645 -0.720 13.055 1083 H ASP 47 H ASP 47 4.721 -4.604 14.577 1084 HA ASP 47 HA ASP 47 2.637 -3.491 15.979 1085 1HB ASP 47 2HB ASP 47 2.423 -4.925 13.962 1086 2HB ASP 47 1HB ASP 47 2.799 -6.332 14.950 1087 H LYS 48 H LYS 48 4.620 -6.273 16.816 1088 HA LYS 48 HA LYS 48 3.114 -6.896 19.178 1089 1HB LYS 48 2HB LYS 48 4.160 -8.689 17.965 1090 2HB LYS 48 1HB LYS 48 5.733 -7.915 18.085 1091 1HG LYS 48 2HG LYS 48 5.549 -9.776 19.623 1092 2HG LYS 48 1HG LYS 48 5.730 -8.251 20.491 1093 1HD LYS 48 2HD LYS 48 4.038 -9.658 21.548 1094 2HD LYS 48 1HD LYS 48 3.313 -8.191 20.885 1095 1HE LYS 48 2HE LYS 48 2.582 -9.446 18.916 1096 2HE LYS 48 1HE LYS 48 3.313 -10.909 19.574 1097 1HZ LYS 48 1HZ LYS 48 1.636 -11.197 21.029 1098 2HZ LYS 48 2HZ LYS 48 0.762 -10.268 19.919 1099 3HZ LYS 48 3HZ LYS 48 1.415 -9.541 21.300 1100 H LYS 49 H LYS 49 6.238 -5.398 18.476 1101 HA LYS 49 HA LYS 49 6.949 -5.070 21.220 1102 1HB LYS 49 2HB LYS 49 8.082 -3.806 18.731 1103 2HB LYS 49 1HB LYS 49 8.795 -3.678 20.332 1104 1HG LYS 49 2HG LYS 49 9.108 -6.099 20.387 1105 2HG LYS 49 1HG LYS 49 8.392 -6.225 18.779 1106 1HD LYS 49 2HD LYS 49 10.826 -6.279 18.654 1107 2HD LYS 49 1HD LYS 49 10.189 -4.832 17.871 1108 1HE LYS 49 2HE LYS 49 12.153 -4.319 19.233 1109 2HE LYS 49 1HE LYS 49 10.712 -3.514 19.851 1110 1HZ LYS 49 1HZ LYS 49 12.434 -5.064 21.291 1111 2HZ LYS 49 2HZ LYS 49 11.111 -6.087 21.036 1112 3HZ LYS 49 3HZ LYS 49 10.886 -4.584 21.778 1113 H TYR 50 H TYR 50 6.131 -2.687 18.721 1114 HA TYR 50 HA TYR 50 5.748 -0.653 20.737 1115 1HB TYR 50 2HB TYR 50 5.524 -0.565 17.731 1116 2HB TYR 50 1HB TYR 50 5.308 0.835 18.781 1117 HD1 TYR 50 1HD TYR 50 7.795 -1.923 18.318 1118 HD2 TYR 50 2HD TYR 50 7.136 2.223 18.999 1119 HE1 TYR 50 1HE TYR 50 10.218 -1.549 18.318 1120 HE2 TYR 50 2HE TYR 50 9.565 2.613 18.994 1121 HH TYR 50 HH TYR 50 11.784 0.389 19.445 1122 H ASN 51 H ASN 51 3.802 -2.969 19.254 1123 HA ASN 51 HA ASN 51 1.607 -3.456 19.794 1124 1HB ASN 51 2HB ASN 51 1.276 -0.531 20.508 1125 2HB ASN 51 1HB ASN 51 0.065 -1.789 20.708 1126 1HD2 ASN 51 1HD2 ASN 51 -0.128 -2.468 22.698 1127 2HD2 ASN 51 2HD2 ASN 51 1.134 -2.573 23.873 1128 HA PRO 52 HA PRO 52 0.172 -2.735 15.732 1129 1HB PRO 52 2HB PRO 52 -2.526 -3.218 16.100 1130 2HB PRO 52 1HB PRO 52 -1.304 -4.474 15.900 1131 1HG PRO 52 2HG PRO 52 -2.529 -3.410 18.409 1132 2HG PRO 52 1HG PRO 52 -2.146 -5.085 17.971 1133 1HD PRO 52 2HD PRO 52 -0.571 -3.682 19.623 1134 2HD PRO 52 1HD PRO 52 0.110 -4.825 18.446 1135 H THR 53 H THR 53 -1.955 0.100 15.127 1136 HA THR 53 HA THR 53 -1.026 -2.574 14.335 1137 HB THR 53 HB THR 53 -3.470 -2.281 14.214 1138 HG1 THR 53 1HG THR 53 -2.146 -2.473 11.717 1139 1HG2 THR 53 1HG2 THR 53 -4.454 -0.853 12.497 1140 2HG2 THR 53 2HG2 THR 53 -2.869 -0.148 12.186 1141 3HG2 THR 53 3HG2 THR 53 -3.644 0.081 13.753 1142 H TRP 54 H TRP 54 0.575 -2.650 12.921 1143 HA TRP 54 HA TRP 54 1.387 -0.178 11.598 1144 1HB TRP 54 2HB TRP 54 2.866 -2.778 11.982 1145 2HB TRP 54 1HB TRP 54 3.523 -1.353 11.184 1146 HD1 TRP 54 HD TRP 54 1.871 -2.066 14.632 1147 HE1 TRP 54 1HE TRP 54 3.211 -0.795 16.418 1148 HE3 TRP 54 3HE TRP 54 5.312 0.192 11.596 1149 HZ2 TRP 54 2HZ TRP 54 5.446 0.940 16.525 1150 HZ3 TRP 54 3HZ TRP 54 7.014 1.643 12.626 1151 HH2 TRP 54 HH TRP 54 7.075 2.012 15.037 1152 H HIS 55 H HIS 55 1.856 -0.043 9.423 1153 HA HIS 55 HA HIS 55 0.913 -2.239 7.708 1154 1HB HIS 55 2HB HIS 55 0.337 0.625 7.004 1155 2HB HIS 55 1HB HIS 55 -0.480 -0.838 6.456 1156 HD1 HIS 55 1HD HIS 55 -1.794 -2.123 8.586 1157 HD2 HIS 55 2HD HIS 55 -1.044 1.947 8.895 1158 HE1 HIS 55 1HE HIS 55 -3.377 -1.283 10.346 1159 HE2 HIS 55 2HE HIS 55 -2.982 1.204 10.440 1160 H CYS 56 H CYS 56 2.183 -2.551 5.869 1161 HA CYS 56 HA CYS 56 4.163 -0.489 5.237 1162 1HB CYS 56 2HB CYS 56 4.888 -3.353 5.861 1163 2HB CYS 56 1HB CYS 56 5.997 -2.140 5.229 1164 HG CYS 56 HG CYS 56 6.474 -1.751 7.605 1165 H ILE 57 H ILE 57 4.930 -0.459 3.195 1166 HA ILE 57 HA ILE 57 3.967 -2.483 1.294 1167 HB ILE 57 HB ILE 57 3.884 0.511 0.850 1168 1HG1 ILE 57 2HG1 ILE 57 1.410 0.074 0.567 1169 2HG1 ILE 57 1HG1 ILE 57 1.693 -1.538 1.214 1170 1HG2 ILE 57 1HG2 ILE 57 4.021 -1.675 -1.004 1171 2HG2 ILE 57 2HG2 ILE 57 4.009 0.060 -1.317 1172 3HG2 ILE 57 3HG2 ILE 57 2.487 -0.821 -1.183 1173 1HD1 ILE 57 1HD1 ILE 57 2.819 0.481 2.932 1174 2HD1 ILE 57 2HD1 ILE 57 1.642 -0.783 3.292 1175 3HD1 ILE 57 3HD1 ILE 57 1.103 0.764 2.640 1176 H VAL 58 H VAL 58 5.408 -2.914 -0.421 1177 HA VAL 58 HA VAL 58 7.801 -1.303 -0.693 1178 HB VAL 58 HB VAL 58 8.029 -4.198 0.136 1179 1HG1 VAL 58 1HG1 VAL 58 9.768 -3.517 -1.436 1180 2HG1 VAL 58 2HG1 VAL 58 10.436 -3.778 0.175 1181 3HG1 VAL 58 3HG1 VAL 58 10.163 -2.136 -0.412 1182 1HG2 VAL 58 1HG2 VAL 58 8.574 -1.651 1.645 1183 2HG2 VAL 58 2HG2 VAL 58 9.162 -3.233 2.151 1184 3HG2 VAL 58 3HG2 VAL 58 7.428 -2.925 2.057 1185 H GLY 59 H GLY 59 8.655 -1.400 -2.695 1186 1HA GLY 59 2HA GLY 59 8.651 -3.573 -4.437 1187 2HA GLY 59 1HA GLY 59 7.194 -2.651 -4.774 1188 H ARG 60 H ARG 60 7.652 -1.757 -6.707 1189 HA ARG 60 HA ARG 60 9.583 0.387 -6.776 1190 1HB ARG 60 2HB ARG 60 9.921 -1.981 -8.623 1191 2HB ARG 60 1HB ARG 60 10.783 -0.458 -8.765 1192 1HG ARG 60 2HG ARG 60 11.816 -0.851 -6.578 1193 2HG ARG 60 1HG ARG 60 10.973 -2.399 -6.473 1194 1HD ARG 60 2HD ARG 60 12.918 -1.616 -8.635 1195 2HD ARG 60 1HD ARG 60 13.297 -2.640 -7.252 1196 HE ARG 60 HE ARG 60 11.099 -3.736 -8.594 1197 1HH1 ARG 60 1HH1 ARG 60 14.510 -3.192 -9.095 1198 2HH1 ARG 60 2HH1 ARG 60 14.699 -4.549 -10.153 1199 1HH2 ARG 60 1HH2 ARG 60 11.346 -5.522 -9.984 1200 2HH2 ARG 60 2HH2 ARG 60 12.902 -5.873 -10.659 1201 H ASN 61 H ASN 61 6.690 -0.093 -7.147 1202 HA ASN 61 HA ASN 61 6.117 1.749 -9.125 1203 1HB ASN 61 2HB ASN 61 6.956 -0.243 -10.543 1204 2HB ASN 61 1HB ASN 61 5.430 -1.009 -10.111 1205 1HD2 ASN 61 1HD2 ASN 61 7.010 1.190 -12.090 1206 2HD2 ASN 61 2HD2 ASN 61 5.640 1.775 -12.972 1207 H PHE 62 H PHE 62 4.867 2.180 -7.129 1208 HA PHE 62 HA PHE 62 2.193 1.107 -7.393 1209 1HB PHE 62 2HB PHE 62 2.018 0.324 -5.087 1210 2HB PHE 62 1HB PHE 62 3.272 -0.559 -5.950 1211 HD1 PHE 62 1HD PHE 62 2.802 2.341 -3.666 1212 HD2 PHE 62 2HD PHE 62 5.381 -0.761 -5.019 1213 HE1 PHE 62 1HE PHE 62 4.420 2.920 -1.905 1214 HE2 PHE 62 2HE PHE 62 7.000 -0.187 -3.258 1215 HZ PHE 62 HZ PHE 62 6.520 1.655 -1.698 1216 H GLY 63 H GLY 63 0.650 2.440 -6.715 1217 1HA GLY 63 2HA GLY 63 1.476 4.893 -5.286 1218 2HA GLY 63 1HA GLY 63 0.288 4.902 -6.586 1219 H SER 64 H SER 64 0.274 5.461 -3.496 1220 HA SER 64 HA SER 64 -2.346 4.283 -3.143 1221 1HB SER 64 2HB SER 64 -1.772 3.153 -1.027 1222 2HB SER 64 1HB SER 64 -0.925 2.460 -2.409 1223 HG SER 64 HG SER 64 0.124 3.419 -0.190 1224 H TYR 65 H TYR 65 -3.492 4.951 -1.344 1225 HA TYR 65 HA TYR 65 -2.531 7.377 0.017 1226 1HB TYR 65 2HB TYR 65 -4.226 7.848 -1.798 1227 2HB TYR 65 1HB TYR 65 -5.373 6.857 -0.908 1228 HD1 TYR 65 1HD TYR 65 -5.533 7.603 1.706 1229 HD2 TYR 65 2HD TYR 65 -4.433 10.113 -1.550 1230 HE1 TYR 65 1HE TYR 65 -6.217 9.576 3.000 1231 HE2 TYR 65 2HE TYR 65 -5.116 12.092 -0.263 1232 HH TYR 65 HH TYR 65 -5.491 12.785 1.994 1233 H VAL 66 H VAL 66 -2.797 7.288 2.227 1234 HA VAL 66 HA VAL 66 -4.675 5.391 3.404 1235 HB VAL 66 HB VAL 66 -1.747 5.236 4.102 1236 1HG1 VAL 66 1HG1 VAL 66 -2.424 3.068 5.108 1237 2HG1 VAL 66 2HG1 VAL 66 -4.101 3.483 4.760 1238 3HG1 VAL 66 3HG1 VAL 66 -3.158 4.473 5.875 1239 1HG2 VAL 66 1HG2 VAL 66 -1.714 3.094 2.849 1240 2HG2 VAL 66 2HG2 VAL 66 -1.933 4.509 1.817 1241 3HG2 VAL 66 3HG2 VAL 66 -3.312 3.483 2.213 1242 H THR 67 H THR 67 -4.726 5.557 5.801 1243 HA THR 67 HA THR 67 -3.886 8.235 6.723 1244 HB THR 67 HB THR 67 -6.306 6.613 7.572 1245 HG1 THR 67 1HG THR 67 -6.070 9.007 6.074 1246 1HG2 THR 67 1HG2 THR 67 -6.947 8.823 8.664 1247 2HG2 THR 67 2HG2 THR 67 -5.235 9.231 8.554 1248 3HG2 THR 67 3HG2 THR 67 -5.750 7.822 9.483 1249 H HIS 68 H HIS 68 -3.249 8.400 8.957 1250 HA HIS 68 HA HIS 68 -2.847 6.026 10.521 1251 1HB HIS 68 2HB HIS 68 -0.341 6.200 10.466 1252 2HB HIS 68 1HB HIS 68 -1.067 5.652 8.954 1253 HD1 HIS 68 1HD HIS 68 0.389 8.787 10.503 1254 HD2 HIS 68 2HD HIS 68 -0.499 7.195 6.769 1255 HE1 HIS 68 1HE HIS 68 1.334 10.415 8.836 1256 HE2 HIS 68 2HE HIS 68 0.685 9.485 6.587 1257 H GLU 69 H GLU 69 -2.347 6.461 12.626 1258 HA GLU 69 HA GLU 69 -2.949 8.943 13.703 1259 1HB GLU 69 2HB GLU 69 -3.021 6.878 14.998 1260 2HB GLU 69 1HB GLU 69 -1.274 6.723 14.889 1261 1HG GLU 69 2HG GLU 69 -1.008 8.771 16.184 1262 2HG GLU 69 1HG GLU 69 -2.760 8.932 16.289 1263 H THR 70 H THR 70 -1.765 10.685 14.407 1264 HA THR 70 HA THR 70 0.493 11.454 13.005 1265 HB THR 70 HB THR 70 0.758 13.230 14.696 1266 HG1 THR 70 1HG THR 70 -0.730 13.239 16.448 1267 1HG2 THR 70 1HG2 THR 70 -2.019 13.558 14.712 1268 2HG2 THR 70 2HG2 THR 70 -1.629 12.728 13.206 1269 3HG2 THR 70 3HG2 THR 70 -0.851 14.261 13.593 1270 H LYS 71 H LYS 71 2.684 11.709 13.577 1271 HA LYS 71 HA LYS 71 4.696 11.029 14.379 1272 1HB LYS 71 2HB LYS 71 3.061 10.428 16.850 1273 2HB LYS 71 1HB LYS 71 4.815 10.355 16.785 1274 1HG LYS 71 2HG LYS 71 3.138 12.807 16.292 1275 2HG LYS 71 1HG LYS 71 4.047 12.446 17.762 1276 1HD LYS 71 2HD LYS 71 6.131 12.465 16.475 1277 2HD LYS 71 1HD LYS 71 5.221 12.822 15.006 1278 1HE LYS 71 2HE LYS 71 6.224 14.840 15.930 1279 2HE LYS 71 1HE LYS 71 4.465 14.928 15.978 1280 1HZ LYS 71 1HZ LYS 71 5.954 15.547 18.048 1281 2HZ LYS 71 2HZ LYS 71 5.821 13.887 18.345 1282 3HZ LYS 71 3HZ LYS 71 4.428 14.839 18.229 1283 H HIS 72 H HIS 72 3.229 9.274 12.798 1284 HA HIS 72 HA HIS 72 4.552 6.798 13.428 1285 1HB HIS 72 2HB HIS 72 1.528 6.880 13.332 1286 2HB HIS 72 1HB HIS 72 2.500 5.414 13.358 1287 HD1 HIS 72 1HD HIS 72 4.278 5.520 15.600 1288 HD2 HIS 72 2HD HIS 72 0.593 7.432 15.792 1289 HE1 HIS 72 1HE HIS 72 3.790 5.797 18.052 1290 HE2 HIS 72 2HE HIS 72 1.516 6.875 18.144 1291 H PHE 73 H PHE 73 5.434 7.837 11.401 1292 HA PHE 73 HA PHE 73 4.417 6.426 9.137 1293 1HB PHE 73 2HB PHE 73 2.876 8.241 8.960 1294 2HB PHE 73 1HB PHE 73 4.143 9.429 9.238 1295 HD1 PHE 73 1HD PHE 73 3.626 6.566 6.894 1296 HD2 PHE 73 2HD PHE 73 4.655 10.664 7.386 1297 HE1 PHE 73 1HE PHE 73 3.968 6.767 4.468 1298 HE2 PHE 73 2HE PHE 73 4.998 10.874 4.960 1299 HZ PHE 73 HZ PHE 73 4.654 8.924 3.496 1300 H ILE 74 H ILE 74 5.921 6.212 7.506 1301 HA ILE 74 HA ILE 74 8.247 7.873 7.353 1302 HB ILE 74 HB ILE 74 8.892 6.543 9.291 1303 1HG1 ILE 74 2HG1 ILE 74 10.374 5.742 6.775 1304 2HG1 ILE 74 1HG1 ILE 74 10.641 7.213 7.706 1305 1HG2 ILE 74 1HG2 ILE 74 9.305 4.063 8.902 1306 2HG2 ILE 74 2HG2 ILE 74 8.254 4.224 7.493 1307 3HG2 ILE 74 3HG2 ILE 74 7.628 4.575 9.105 1308 1HD1 ILE 74 1HD1 ILE 74 11.493 5.973 9.549 1309 2HD1 ILE 74 2HD1 ILE 74 12.313 5.417 8.090 1310 3HD1 ILE 74 3HD1 ILE 74 11.028 4.443 8.806 1311 H TYR 75 H TYR 75 9.341 7.635 5.471 1312 HA TYR 75 HA TYR 75 8.752 5.367 3.717 1313 1HB TYR 75 2HB TYR 75 7.123 7.108 3.107 1314 2HB TYR 75 1HB TYR 75 8.431 8.268 2.897 1315 HD1 TYR 75 1HD TYR 75 7.624 4.810 1.706 1316 HD2 TYR 75 2HD TYR 75 8.991 8.714 0.713 1317 HE1 TYR 75 1HE TYR 75 7.842 4.128 -0.645 1318 HE2 TYR 75 2HE TYR 75 9.212 8.043 -1.643 1319 HH TYR 75 HH TYR 75 8.374 6.382 -3.172 1320 H PHE 76 H PHE 76 10.534 4.750 2.538 1321 HA PHE 76 HA PHE 76 12.641 6.541 1.872 1322 1HB PHE 76 2HB PHE 76 14.391 5.544 3.312 1323 2HB PHE 76 1HB PHE 76 13.153 6.386 4.238 1324 HD1 PHE 76 1HD PHE 76 13.958 2.961 2.989 1325 HD2 PHE 76 2HD PHE 76 12.276 5.347 6.085 1326 HE1 PHE 76 1HE PHE 76 13.599 0.942 4.346 1327 HE2 PHE 76 2HE PHE 76 11.919 3.329 7.448 1328 HZ PHE 76 HZ PHE 76 12.580 1.125 6.578 1329 H TYR 77 H TYR 77 14.064 5.701 0.419 1330 HA TYR 77 HA TYR 77 13.326 3.169 -0.769 1331 1HB TYR 77 2HB TYR 77 15.369 5.256 -1.553 1332 2HB TYR 77 1HB TYR 77 15.068 3.785 -2.471 1333 HD1 TYR 77 1HD TYR 77 13.015 6.537 -0.964 1334 HD2 TYR 77 2HD TYR 77 13.760 4.053 -4.336 1335 HE1 TYR 77 1HE TYR 77 11.210 7.670 -2.188 1336 HE2 TYR 77 2HE TYR 77 11.957 5.179 -5.571 1337 HH TYR 77 HH TYR 77 10.490 8.066 -4.453 1338 H LEU 78 H LEU 78 14.798 1.432 -1.135 1339 HA LEU 78 HA LEU 78 17.403 1.356 -0.017 1340 1HB LEU 78 2HB LEU 78 16.073 1.315 2.070 1341 2HB LEU 78 1HB LEU 78 15.264 -0.130 1.508 1342 HG LEU 78 HG LEU 78 17.358 -1.376 1.581 1343 1HD1 LEU 78 1HD1 LEU 78 18.526 1.211 1.598 1344 2HD1 LEU 78 2HD1 LEU 78 19.326 -0.358 1.509 1345 3HD1 LEU 78 3HD1 LEU 78 19.011 0.382 3.079 1346 1HD2 LEU 78 1HD2 LEU 78 16.861 -1.854 3.690 1347 2HD2 LEU 78 2HD2 LEU 78 15.941 -0.353 3.801 1348 3HD2 LEU 78 3HD2 LEU 78 17.651 -0.375 4.239 1349 H GLY 79 H GLY 79 18.541 -0.400 -0.741 1350 1HA GLY 79 2HA GLY 79 19.014 -2.189 -2.102 1351 2HA GLY 79 1HA GLY 79 17.563 -2.906 -1.418 1352 H GLN 80 H GLN 80 17.765 0.005 -3.383 1353 HA GLN 80 HA GLN 80 16.805 0.586 -5.352 1354 1HB GLN 80 2HB GLN 80 17.246 -2.333 -5.997 1355 2HB GLN 80 1HB GLN 80 16.858 -1.082 -7.171 1356 1HG GLN 80 2HG GLN 80 18.948 0.066 -6.632 1357 2HG GLN 80 1HG GLN 80 19.337 -1.198 -5.467 1358 1HE2 GLN 80 1HE2 GLN 80 19.972 -0.136 -8.475 1359 2HE2 GLN 80 2HE2 GLN 80 20.439 -1.618 -9.230 1360 H VAL 81 H VAL 81 15.038 -0.015 -3.244 1361 HA VAL 81 HA VAL 81 12.637 -0.485 -4.773 1362 HB VAL 81 HB VAL 81 11.735 -2.236 -3.293 1363 1HG1 VAL 81 1HG1 VAL 81 12.759 -2.845 -5.429 1364 2HG1 VAL 81 2HG1 VAL 81 12.982 -4.108 -4.218 1365 3HG1 VAL 81 3HG1 VAL 81 14.319 -3.034 -4.628 1366 1HG2 VAL 81 1HG2 VAL 81 14.521 -2.657 -2.250 1367 2HG2 VAL 81 2HG2 VAL 81 13.013 -3.375 -1.685 1368 3HG2 VAL 81 3HG2 VAL 81 13.339 -1.666 -1.395 1369 H ALA 82 H ALA 82 10.978 0.677 -4.003 1370 HA ALA 82 HA ALA 82 11.418 2.506 -1.870 1371 1HB ALA 82 1HB ALA 82 9.245 1.948 -3.797 1372 2HB ALA 82 2HB ALA 82 10.010 3.475 -3.357 1373 3HB ALA 82 3HB ALA 82 8.787 2.764 -2.302 1374 H ILE 83 H ILE 83 10.820 2.439 0.215 1375 HA ILE 83 HA ILE 83 9.237 0.119 1.106 1376 HB ILE 83 HB ILE 83 11.485 1.476 2.602 1377 1HG1 ILE 83 2HG1 ILE 83 11.314 -1.264 1.326 1378 2HG1 ILE 83 1HG1 ILE 83 12.289 0.084 0.751 1379 1HG2 ILE 83 1HG2 ILE 83 11.165 -0.517 4.147 1380 2HG2 ILE 83 2HG2 ILE 83 9.613 -0.755 3.346 1381 3HG2 ILE 83 3HG2 ILE 83 9.935 0.745 4.218 1382 1HD1 ILE 83 1HD1 ILE 83 12.639 -1.210 3.441 1383 2HD1 ILE 83 2HD1 ILE 83 13.698 -0.032 2.667 1384 3HD1 ILE 83 3HD1 ILE 83 13.549 -1.656 1.997 1385 H LEU 84 H LEU 84 7.658 0.454 2.627 1386 HA LEU 84 HA LEU 84 7.287 3.172 3.653 1387 1HB LEU 84 2HB LEU 84 5.935 3.003 1.623 1388 2HB LEU 84 1HB LEU 84 5.162 1.558 2.244 1389 HG LEU 84 HG LEU 84 4.167 2.877 4.069 1390 1HD1 LEU 84 1HD1 LEU 84 4.884 4.908 4.600 1391 2HD1 LEU 84 2HD1 LEU 84 4.568 5.496 2.968 1392 3HD1 LEU 84 3HD1 LEU 84 6.122 4.759 3.353 1393 1HD2 LEU 84 1HD2 LEU 84 2.892 4.493 2.337 1394 2HD2 LEU 84 2HD2 LEU 84 2.577 2.763 2.471 1395 3HD2 LEU 84 3HD2 LEU 84 3.647 3.369 1.207 1396 H LEU 85 H LEU 85 6.311 3.304 5.638 1397 HA LEU 85 HA LEU 85 5.041 1.025 6.846 1398 1HB LEU 85 2HB LEU 85 7.322 0.366 7.204 1399 2HB LEU 85 1HB LEU 85 7.741 1.958 7.807 1400 HG LEU 85 HG LEU 85 5.700 0.299 9.246 1401 1HD1 LEU 85 1HD1 LEU 85 8.140 -0.754 8.752 1402 2HD1 LEU 85 2HD1 LEU 85 7.205 -1.063 10.215 1403 3HD1 LEU 85 3HD1 LEU 85 8.471 0.164 10.221 1404 1HD2 LEU 85 1HD2 LEU 85 5.800 1.939 10.747 1405 2HD2 LEU 85 2HD2 LEU 85 6.793 2.846 9.605 1406 3HD2 LEU 85 3HD2 LEU 85 7.559 1.832 10.824 1407 H PHE 86 H PHE 86 3.844 1.543 8.664 1408 HA PHE 86 HA PHE 86 4.068 3.857 10.201 1409 1HB PHE 86 2HB PHE 86 2.180 5.200 9.294 1410 2HB PHE 86 1HB PHE 86 3.554 5.114 8.201 1411 HD1 PHE 86 1HD PHE 86 0.301 3.417 8.871 1412 HD2 PHE 86 2HD PHE 86 3.198 4.612 5.993 1413 HE1 PHE 86 1HE PHE 86 -1.172 2.628 7.065 1414 HE2 PHE 86 2HE PHE 86 1.729 3.829 4.183 1415 HZ PHE 86 HZ PHE 86 -0.459 2.836 4.718 1416 H LYS 87 H LYS 87 2.751 3.725 11.948 1417 HA LYS 87 HA LYS 87 0.817 1.526 11.944 1418 1HB LYS 87 2HB LYS 87 1.004 1.534 14.368 1419 2HB LYS 87 1HB LYS 87 2.592 1.397 13.630 1420 1HG LYS 87 2HG LYS 87 3.080 3.690 14.096 1421 2HG LYS 87 1HG LYS 87 1.428 3.977 14.650 1422 1HD LYS 87 2HD LYS 87 3.392 2.086 15.941 1423 2HD LYS 87 1HD LYS 87 3.030 3.715 16.512 1424 1HE LYS 87 2HE LYS 87 0.681 3.062 16.825 1425 2HE LYS 87 1HE LYS 87 1.077 1.428 16.294 1426 1HZ LYS 87 1HZ LYS 87 2.766 1.478 18.190 1427 2HZ LYS 87 2HZ LYS 87 1.133 1.302 18.595 1428 3HZ LYS 87 3HZ LYS 87 1.891 2.804 18.774 1429 H SER 88 H SER 88 -1.056 1.849 13.507 1430 HA SER 88 HA SER 88 -2.041 4.587 13.613 1431 1HB SER 88 2HB SER 88 -2.801 3.777 11.417 1432 2HB SER 88 1HB SER 88 -3.549 2.380 12.190 1433 HG SER 88 HG SER 88 -4.907 3.846 13.319 1434 H GLY 89 H GLY 89 -3.193 4.949 15.406 1435 1HA GLY 89 2HA GLY 89 -4.243 4.574 17.413 1436 2HA GLY 89 1HA GLY 89 -4.941 3.149 16.655 1437 1H MET 1 1HT MET 1 -10.425 -8.821 12.438 1438 2H MET 1 2HT MET 1 -10.222 -7.708 13.727 1439 3H MET 1 3HT MET 1 -9.682 -9.328 13.897 1440 HA MET 1 HA MET 1 -8.625 -7.279 12.067 1441 1HB MET 1 2HB MET 1 -7.469 -8.670 14.494 1442 2HB MET 1 1HB MET 1 -6.608 -7.525 13.473 1443 1HG MET 1 2HG MET 1 -8.203 -5.778 14.094 1444 2HG MET 1 1HG MET 1 -9.050 -6.926 15.129 1445 1HE MET 1 1HE MET 1 -5.742 -5.536 14.171 1446 2HE MET 1 2HE MET 1 -4.828 -6.685 15.147 1447 3HE MET 1 3HE MET 1 -4.983 -5.010 15.673 1448 H LYS 2 H LYS 2 -7.323 -7.975 10.460 1449 HA LYS 2 HA LYS 2 -6.226 -10.642 10.446 1450 1HB LYS 2 2HB LYS 2 -8.265 -9.830 8.365 1451 2HB LYS 2 1HB LYS 2 -7.263 -11.273 8.292 1452 1HG LYS 2 2HG LYS 2 -8.324 -12.140 10.294 1453 2HG LYS 2 1HG LYS 2 -9.291 -10.673 10.435 1454 1HD LYS 2 2HD LYS 2 -10.640 -12.411 9.457 1455 2HD LYS 2 1HD LYS 2 -10.309 -11.183 8.234 1456 1HE LYS 2 2HE LYS 2 -8.689 -13.705 8.512 1457 2HE LYS 2 1HE LYS 2 -10.117 -13.592 7.487 1458 1HZ LYS 2 1HZ LYS 2 -7.463 -12.690 6.987 1459 2HZ LYS 2 2HZ LYS 2 -8.576 -11.430 6.797 1460 3HZ LYS 2 3HZ LYS 2 -8.758 -12.860 5.913 1461 H ASP 3 H ASP 3 -4.336 -10.666 9.427 1462 HA ASP 3 HA ASP 3 -3.414 -8.237 8.199 1463 1HB ASP 3 2HB ASP 3 -1.241 -9.474 8.039 1464 2HB ASP 3 1HB ASP 3 -1.887 -9.334 9.669 1465 H THR 4 H THR 4 -3.447 -7.766 6.122 1466 HA THR 4 HA THR 4 -4.110 -9.819 4.176 1467 HB THR 4 HB THR 4 -5.273 -7.638 4.124 1468 HG1 THR 4 1HG THR 4 -4.536 -7.168 1.812 1469 1HG2 THR 4 1HG2 THR 4 -4.287 -5.647 4.062 1470 2HG2 THR 4 2HG2 THR 4 -3.076 -6.177 2.898 1471 3HG2 THR 4 3HG2 THR 4 -2.844 -6.495 4.616 1472 H GLY 5 H GLY 5 -2.776 -10.410 2.454 1473 1HA GLY 5 2HA GLY 5 -0.064 -9.265 2.443 1474 2HA GLY 5 1HA GLY 5 -0.266 -11.005 2.573 1475 H ILE 6 H ILE 6 0.814 -8.981 0.481 1476 HA ILE 6 HA ILE 6 -0.161 -10.510 -1.787 1477 HB ILE 6 HB ILE 6 -0.684 -8.550 -3.151 1478 1HG1 ILE 6 2HG1 ILE 6 -0.446 -6.960 -0.587 1479 2HG1 ILE 6 1HG1 ILE 6 0.748 -6.947 -1.882 1480 1HG2 ILE 6 1HG2 ILE 6 -2.849 -8.152 -2.301 1481 2HG2 ILE 6 2HG2 ILE 6 -2.329 -8.420 -0.638 1482 3HG2 ILE 6 3HG2 ILE 6 -2.413 -9.775 -1.763 1483 1HD1 ILE 6 1HD1 ILE 6 -0.575 -5.020 -2.158 1484 2HD1 ILE 6 2HD1 ILE 6 -2.073 -5.933 -1.963 1485 3HD1 ILE 6 3HD1 ILE 6 -1.084 -6.158 -3.407 1486 H GLN 7 H GLN 7 0.995 -9.802 -3.836 1487 HA GLN 7 HA GLN 7 3.513 -8.470 -3.556 1488 1HB GLN 7 2HB GLN 7 4.900 -10.453 -4.137 1489 2HB GLN 7 1HB GLN 7 4.179 -10.544 -2.536 1490 1HG GLN 7 2HG GLN 7 2.442 -12.029 -3.400 1491 2HG GLN 7 1HG GLN 7 3.166 -11.939 -5.005 1492 1HE2 GLN 7 1HE2 GLN 7 2.901 -13.831 -2.389 1493 2HE2 GLN 7 2HE2 GLN 7 4.377 -14.722 -2.498 1494 H VAL 8 H VAL 8 2.066 -7.446 -5.235 1495 HA VAL 8 HA VAL 8 1.673 -8.747 -7.732 1496 HB VAL 8 HB VAL 8 1.703 -5.783 -7.134 1497 1HG1 VAL 8 1HG1 VAL 8 0.274 -5.644 -9.166 1498 2HG1 VAL 8 2HG1 VAL 8 0.628 -7.343 -9.480 1499 3HG1 VAL 8 3HG1 VAL 8 1.930 -6.153 -9.495 1500 1HG2 VAL 8 1HG2 VAL 8 -0.365 -7.903 -6.823 1501 2HG2 VAL 8 2HG2 VAL 8 -0.871 -6.288 -7.324 1502 3HG2 VAL 8 3HG2 VAL 8 -0.011 -6.510 -5.799 1503 H ASP 9 H ASP 9 2.814 -8.609 -9.631 1504 HA ASP 9 HA ASP 9 5.032 -6.926 -10.077 1505 1HB ASP 9 1HB ASP 9 6.123 -8.320 -8.389 1506 2HB ASP 9 2HB ASP 9 6.843 -8.599 -9.972 1507 H ARG 10 H ARG 10 2.801 -7.578 -11.535 1508 HA ARG 10 HA ARG 10 3.272 -9.629 -13.446 1509 1HB ARG 10 2HB ARG 10 1.435 -7.232 -13.537 1510 2HB ARG 10 1HB ARG 10 1.427 -8.536 -14.716 1511 1HG ARG 10 2HG ARG 10 0.865 -10.128 -12.937 1512 2HG ARG 10 1HG ARG 10 0.838 -8.800 -11.775 1513 1HD ARG 10 2HD ARG 10 -0.986 -7.747 -12.975 1514 2HD ARG 10 1HD ARG 10 -0.926 -9.000 -14.213 1515 HE ARG 10 HE ARG 10 -2.281 -9.145 -11.738 1516 1HH1 ARG 10 1HH1 ARG 10 -0.427 -11.091 -13.966 1517 2HH1 ARG 10 2HH1 ARG 10 -1.128 -12.584 -13.439 1518 1HH2 ARG 10 1HH2 ARG 10 -3.206 -11.109 -11.050 1519 2HH2 ARG 10 2HH2 ARG 10 -2.707 -12.594 -11.788 1520 H ASP 11 H ASP 11 4.218 -9.588 -15.407 1521 HA ASP 11 HA ASP 11 6.045 -7.459 -15.987 1522 1HB ASP 11 2HB ASP 11 5.310 -9.892 -17.631 1523 2HB ASP 11 1HB ASP 11 6.687 -8.834 -17.923 1524 H LEU 12 H LEU 12 3.723 -6.166 -16.003 1525 HA LEU 12 HA LEU 12 2.548 -6.097 -18.639 1526 1HB LEU 12 2HB LEU 12 1.229 -5.742 -16.562 1527 2HB LEU 12 1HB LEU 12 2.108 -4.249 -16.294 1528 HG LEU 12 HG LEU 12 1.176 -3.320 -18.370 1529 1HD1 LEU 12 1HD1 LEU 12 0.112 -6.079 -18.619 1530 2HD1 LEU 12 2HD1 LEU 12 0.720 -4.982 -19.859 1531 3HD1 LEU 12 3HD1 LEU 12 -0.894 -4.746 -19.189 1532 1HD2 LEU 12 1HD2 LEU 12 -0.041 -3.511 -15.984 1533 2HD2 LEU 12 2HD2 LEU 12 -1.248 -4.296 -17.004 1534 3HD2 LEU 12 3HD2 LEU 12 -0.727 -2.648 -17.361 1535 H ASP 13 H ASP 13 5.210 -5.596 -18.939 1536 HA ASP 13 HA ASP 13 5.172 -2.965 -20.109 1537 1HB ASP 13 2HB ASP 13 7.189 -3.599 -17.939 1538 2HB ASP 13 1HB ASP 13 7.226 -2.179 -18.978 1539 H GLY 14 H GLY 14 6.218 -3.062 -21.993 1540 1HA GLY 14 2HA GLY 14 7.646 -5.448 -22.716 1541 2HA GLY 14 1HA GLY 14 7.360 -4.052 -23.743 1542 H LYS 15 H LYS 15 8.572 -2.016 -22.494 1543 HA LYS 15 HA LYS 15 11.329 -2.538 -22.990 1544 1HB LYS 15 2HB LYS 15 9.998 -0.102 -21.793 1545 2HB LYS 15 1HB LYS 15 11.658 -0.177 -22.367 1546 1HG LYS 15 2HG LYS 15 10.864 -0.617 -24.631 1547 2HG LYS 15 1HG LYS 15 9.195 -0.555 -24.059 1548 1HD LYS 15 2HD LYS 15 11.189 1.709 -23.942 1549 2HD LYS 15 1HD LYS 15 9.867 1.557 -25.102 1550 1HE LYS 15 2HE LYS 15 9.591 1.808 -22.108 1551 2HE LYS 15 1HE LYS 15 9.277 3.078 -23.288 1552 1HZ LYS 15 1HZ LYS 15 7.184 2.312 -23.084 1553 2HZ LYS 15 2HZ LYS 15 7.659 0.772 -22.571 1554 3HZ LYS 15 3HZ LYS 15 7.695 1.164 -24.217 1555 H SER 16 H SER 16 13.016 -2.775 -21.610 1556 HA SER 16 HA SER 16 14.208 -3.045 -19.692 1557 1HB SER 16 2HB SER 16 11.796 -1.903 -18.267 1558 2HB SER 16 1HB SER 16 13.397 -2.139 -17.570 1559 HG SER 16 HG SER 16 14.159 -0.484 -18.700 1560 H HIS 17 H HIS 17 10.818 -4.083 -19.463 1561 HA HIS 17 HA HIS 17 9.888 -6.052 -18.813 1562 1HB HIS 17 2HB HIS 17 12.733 -7.092 -18.845 1563 2HB HIS 17 1HB HIS 17 11.283 -8.080 -18.734 1564 HD1 HIS 17 1HD HIS 17 12.631 -5.463 -21.163 1565 HD2 HIS 17 2HD HIS 17 10.597 -9.086 -21.132 1566 HE1 HIS 17 1HE HIS 17 12.289 -6.063 -23.581 1567 HE2 HIS 17 2HE HIS 17 10.974 -8.210 -23.535 1568 H LYS 18 H LYS 18 9.109 -6.552 -16.860 1569 HA LYS 18 HA LYS 18 10.302 -5.502 -14.512 1570 1HB LYS 18 2HB LYS 18 8.034 -7.475 -14.830 1571 2HB LYS 18 1HB LYS 18 8.468 -6.677 -13.325 1572 1HG LYS 18 2HG LYS 18 7.522 -5.314 -15.837 1573 2HG LYS 18 1HG LYS 18 6.566 -5.597 -14.381 1574 1HD LYS 18 2HD LYS 18 8.112 -4.200 -13.097 1575 2HD LYS 18 1HD LYS 18 9.074 -3.924 -14.549 1576 1HE LYS 18 2HE LYS 18 7.145 -2.852 -15.614 1577 2HE LYS 18 1HE LYS 18 6.192 -3.121 -14.155 1578 1HZ LYS 18 1HZ LYS 18 7.523 -0.875 -14.644 1579 2HZ LYS 18 2HZ LYS 18 8.711 -1.721 -13.786 1580 3HZ LYS 18 3HZ LYS 18 7.200 -1.438 -13.080 1581 1H MET 1 1HT MET 1 -4.159 11.945 12.599 1582 2H MET 1 2HT MET 1 -2.872 10.821 12.448 1583 3H MET 1 3HT MET 1 -4.238 10.438 13.411 1584 HA MET 1 HA MET 1 -4.265 9.302 11.310 1585 1HB MET 1 2HB MET 1 -6.366 11.448 11.688 1586 2HB MET 1 1HB MET 1 -6.566 10.004 10.706 1587 1HG MET 1 2HG MET 1 -6.132 10.084 13.683 1588 2HG MET 1 1HG MET 1 -7.650 9.748 12.853 1589 1HE MET 1 1HE MET 1 -6.119 6.820 14.862 1590 2HE MET 1 2HE MET 1 -7.683 6.645 14.067 1591 3HE MET 1 3HE MET 1 -7.252 8.172 14.836 1592 H LYS 2 H LYS 2 -2.233 10.983 10.611 1593 HA LYS 2 HA LYS 2 -2.983 12.817 8.558 1594 1HB LYS 2 2HB LYS 2 -0.318 11.583 9.258 1595 2HB LYS 2 1HB LYS 2 -0.535 12.823 8.030 1596 1HG LYS 2 2HG LYS 2 -1.184 13.123 10.952 1597 2HG LYS 2 1HG LYS 2 0.251 13.754 10.143 1598 1HD LYS 2 2HD LYS 2 -1.179 15.135 8.705 1599 2HD LYS 2 1HD LYS 2 -2.607 14.509 9.531 1600 1HE LYS 2 2HE LYS 2 -1.806 15.463 11.637 1601 2HE LYS 2 1HE LYS 2 -0.375 16.082 10.814 1602 1HZ LYS 2 1HZ LYS 2 -3.103 17.076 10.791 1603 2HZ LYS 2 2HZ LYS 2 -2.298 17.124 9.305 1604 3HZ LYS 2 3HZ LYS 2 -1.642 17.916 10.647 1605 H ASP 3 H ASP 3 -3.208 12.521 6.439 1606 HA ASP 3 HA ASP 3 -3.353 9.813 5.470 1607 1HB ASP 3 2HB ASP 3 -4.210 10.864 3.397 1608 2HB ASP 3 1HB ASP 3 -5.096 11.367 4.832 1609 H THR 4 H THR 4 -1.657 8.763 4.667 1610 HA THR 4 HA THR 4 0.652 10.212 3.688 1611 HB THR 4 HB THR 4 0.888 8.186 5.121 1612 HG1 THR 4 1HG THR 4 1.941 7.820 2.513 1613 1HG2 THR 4 1HG2 THR 4 0.141 6.143 4.609 1614 2HG2 THR 4 2HG2 THR 4 0.433 6.352 2.882 1615 3HG2 THR 4 3HG2 THR 4 -1.023 7.024 3.618 1616 H GLY 5 H GLY 5 1.453 10.089 1.567 1617 1HA GLY 5 2HA GLY 5 -0.174 8.700 -0.424 1618 2HA GLY 5 1HA GLY 5 -0.075 10.450 -0.564 1619 H ILE 6 H ILE 6 1.050 7.816 -1.938 1620 HA ILE 6 HA ILE 6 3.374 9.141 -2.978 1621 HB ILE 6 HB ILE 6 4.888 7.144 -2.440 1622 1HG1 ILE 6 2HG1 ILE 6 4.381 6.132 -0.187 1623 2HG1 ILE 6 1HG1 ILE 6 2.764 6.815 -0.317 1624 1HG2 ILE 6 1HG2 ILE 6 4.253 8.817 -0.039 1625 2HG2 ILE 6 2HG2 ILE 6 4.927 9.536 -1.501 1626 3HG2 ILE 6 3HG2 ILE 6 5.821 8.284 -0.640 1627 1HD1 ILE 6 1HD1 ILE 6 3.355 4.336 -1.049 1628 2HD1 ILE 6 2HD1 ILE 6 3.696 5.156 -2.573 1629 3HD1 ILE 6 3HD1 ILE 6 2.097 5.288 -1.837 1630 H GLN 7 H GLN 7 4.107 8.280 -4.911 1631 HA GLN 7 HA GLN 7 2.763 5.865 -5.884 1632 1HB GLN 7 2HB GLN 7 2.306 7.007 -8.048 1633 2HB GLN 7 1HB GLN 7 1.387 7.649 -6.695 1634 1HG GLN 7 2HG GLN 7 2.956 9.516 -6.517 1635 2HG GLN 7 1HG GLN 7 3.862 8.880 -7.886 1636 1HE2 GLN 7 1HE2 GLN 7 1.729 11.157 -7.049 1637 2HE2 GLN 7 2HE2 GLN 7 0.889 11.368 -8.544 1638 H VAL 8 H VAL 8 4.777 4.811 -5.663 1639 HA VAL 8 HA VAL 8 7.131 5.724 -6.983 1640 HB VAL 8 HB VAL 8 6.436 2.911 -6.113 1641 1HG1 VAL 8 1HG1 VAL 8 8.836 4.150 -7.287 1642 2HG1 VAL 8 2HG1 VAL 8 8.293 2.472 -7.315 1643 3HG1 VAL 8 3HG1 VAL 8 9.120 3.108 -5.892 1644 1HG2 VAL 8 1HG2 VAL 8 8.277 4.551 -4.502 1645 2HG2 VAL 8 2HG2 VAL 8 7.039 3.401 -3.996 1646 3HG2 VAL 8 3HG2 VAL 8 6.583 5.040 -4.462 1647 H ASP 9 H ASP 9 7.955 5.181 -8.980 1648 HA ASP 9 HA ASP 9 6.637 3.238 -10.657 1649 1HB ASP 9 2HB ASP 9 5.172 5.198 -10.938 1650 2HB ASP 9 1HB ASP 9 6.561 6.167 -11.418 1651 H ARG 10 H ARG 10 9.196 3.250 -9.718 1652 HA ARG 10 HA ARG 10 11.372 3.053 -10.350 1653 1HB ARG 10 2HB ARG 10 10.147 3.004 -13.113 1654 2HB ARG 10 1HB ARG 10 11.796 2.530 -12.729 1655 1HG ARG 10 2HG ARG 10 9.296 1.202 -11.698 1656 2HG ARG 10 1HG ARG 10 10.341 0.595 -12.985 1657 1HD ARG 10 2HD ARG 10 11.146 1.049 -10.112 1658 2HD ARG 10 1HD ARG 10 10.807 -0.513 -10.854 1659 HE ARG 10 HE ARG 10 13.242 0.914 -10.971 1660 1HH1 ARG 10 1HH1 ARG 10 11.164 -1.123 -12.900 1661 2HH1 ARG 10 2HH1 ARG 10 12.444 -1.660 -13.933 1662 1HH2 ARG 10 1HH2 ARG 10 14.927 0.202 -12.326 1663 2HH2 ARG 10 2HH2 ARG 10 14.580 -0.911 -13.608 1664 H ASP 11 H ASP 11 10.552 5.661 -9.820 1665 HA ASP 11 HA ASP 11 11.599 7.361 -11.924 1666 1HB ASP 11 2HB ASP 11 11.045 9.217 -10.384 1667 2HB ASP 11 1HB ASP 11 9.667 8.166 -10.701 1668 H LEU 12 H LEU 12 13.493 5.544 -10.898 1669 HA LEU 12 HA LEU 12 15.221 7.117 -9.175 1670 1HB LEU 12 2HB LEU 12 16.700 5.039 -9.361 1671 2HB LEU 12 1HB LEU 12 15.204 4.916 -8.454 1672 HG LEU 12 HG LEU 12 14.128 3.891 -10.410 1673 1HD1 LEU 12 1HD1 LEU 12 16.887 4.094 -11.587 1674 2HD1 LEU 12 2HD1 LEU 12 15.386 4.771 -12.221 1675 3HD1 LEU 12 3HD1 LEU 12 15.635 3.024 -12.216 1676 1HD2 LEU 12 1HD2 LEU 12 16.373 2.713 -8.923 1677 2HD2 LEU 12 2HD2 LEU 12 15.868 1.827 -10.362 1678 3HD2 LEU 12 3HD2 LEU 12 14.703 2.167 -9.083 1679 H ASP 13 H ASP 13 14.794 8.253 -11.658 1680 HA ASP 13 HA ASP 13 17.388 8.790 -12.544 1681 1HB ASP 13 2HB ASP 13 17.354 7.722 -14.778 1682 2HB ASP 13 1HB ASP 13 17.367 6.532 -13.482 1683 H GLY 14 H GLY 14 17.396 10.626 -13.783 1684 1HA GLY 14 2HA GLY 14 14.831 11.897 -14.222 1685 2HA GLY 14 1HA GLY 14 16.412 12.621 -14.475 1686 H LYS 15 H LYS 15 15.535 9.553 -15.875 1687 HA LYS 15 HA LYS 15 14.436 10.262 -18.294 1688 1HB LYS 15 2HB LYS 15 16.458 11.590 -18.709 1689 2HB LYS 15 1HB LYS 15 17.461 10.176 -18.418 1690 1HG LYS 15 2HG LYS 15 16.502 9.082 -20.374 1691 2HG LYS 15 1HG LYS 15 15.473 10.487 -20.659 1692 1HD LYS 15 2HD LYS 15 17.434 10.533 -22.108 1693 2HD LYS 15 1HD LYS 15 17.460 11.881 -20.968 1694 1HE LYS 15 2HE LYS 15 19.666 10.854 -21.177 1695 2HE LYS 15 1HE LYS 15 19.021 10.659 -19.547 1696 1HZ LYS 15 1HZ LYS 15 18.878 8.438 -19.778 1697 2HZ LYS 15 2HZ LYS 15 20.068 8.668 -20.956 1698 3HZ LYS 15 3HZ LYS 15 18.448 8.505 -21.412 1699 H SER 16 H SER 16 13.879 8.410 -19.359 1700 HA SER 16 HA SER 16 14.360 5.928 -18.113 1701 1HB SER 16 2HB SER 16 13.202 4.949 -20.065 1702 2HB SER 16 1HB SER 16 12.338 6.349 -19.426 1703 HG SER 16 HG SER 16 12.402 6.759 -21.543 1704 H HIS 17 H HIS 17 15.968 4.502 -18.309 1705 HA HIS 17 HA HIS 17 17.308 3.867 -20.657 1706 1HB HIS 17 2HB HIS 17 19.556 4.827 -20.228 1707 2HB HIS 17 1HB HIS 17 18.339 6.035 -20.611 1708 HD1 HIS 17 1HD HIS 17 20.824 6.988 -19.250 1709 HD2 HIS 17 2HD HIS 17 17.475 5.718 -17.147 1710 HE1 HIS 17 1HE HIS 17 20.998 8.073 -16.988 1711 HE2 HIS 17 2HE HIS 17 19.027 7.187 -15.695 1712 H LYS 18 H LYS 18 17.451 4.001 -17.135 1713 HA LYS 18 HA LYS 18 19.387 1.986 -16.795 1714 1HB LYS 18 2HB LYS 18 18.746 3.529 -15.000 1715 2HB LYS 18 1HB LYS 18 17.137 2.818 -14.956 1716 1HG LYS 18 2HG LYS 18 18.091 0.685 -14.271 1717 2HG LYS 18 1HG LYS 18 19.706 1.389 -14.324 1718 1HD LYS 18 2HD LYS 18 17.451 2.279 -12.530 1719 2HD LYS 18 1HD LYS 18 18.838 1.308 -12.037 1720 1HE LYS 18 2HE LYS 18 20.335 3.152 -12.659 1721 2HE LYS 18 1HE LYS 18 18.938 4.120 -13.127 1722 1HZ LYS 18 1HZ LYS 18 18.580 3.155 -10.502 1723 2HZ LYS 18 2HZ LYS 18 18.689 4.756 -11.036 1724 3HZ LYS 18 3HZ LYS 18 20.091 3.912 -10.611 Start of MODEL 11 1 1H MET 1 1HT MET 1 -22.269 3.334 -20.616 2 2H MET 1 2HT MET 1 -22.245 1.646 -20.920 3 3H MET 1 3HT MET 1 -22.869 2.724 -22.099 4 HA MET 1 HA MET 1 -20.738 2.011 -22.751 5 1HB MET 1 2HB MET 1 -19.681 4.223 -22.953 6 2HB MET 1 1HB MET 1 -21.410 4.303 -23.252 7 1HG MET 1 2HG MET 1 -21.764 5.164 -20.995 8 2HG MET 1 1HG MET 1 -20.029 5.077 -20.692 9 1HE MET 1 1HE MET 1 -18.659 7.711 -23.268 10 2HE MET 1 2HE MET 1 -18.885 5.983 -23.542 11 3HE MET 1 3HE MET 1 -18.230 6.554 -22.007 12 H CYS 2 H CYS 2 -20.665 3.533 -19.540 13 HA CYS 2 HA CYS 2 -17.919 2.860 -19.077 14 1HB CYS 2 2HB CYS 2 -20.063 3.781 -17.154 15 2HB CYS 2 1HB CYS 2 -18.346 3.674 -16.784 16 HG CYS 2 HG CYS 2 -18.009 5.866 -17.811 17 H ASP 3 H ASP 3 -18.896 0.511 -19.816 18 HA ASP 3 HA ASP 3 -20.036 -1.096 -17.801 19 1HB ASP 3 2HB ASP 3 -20.069 -1.724 -20.175 20 2HB ASP 3 1HB ASP 3 -18.318 -1.910 -20.157 21 H ARG 4 H ARG 4 -19.165 -2.308 -16.197 22 HA ARG 4 HA ARG 4 -16.671 -1.612 -15.128 23 1HB ARG 4 2HB ARG 4 -18.547 -3.903 -14.582 24 2HB ARG 4 1HB ARG 4 -17.036 -3.721 -13.706 25 1HG ARG 4 2HG ARG 4 -18.840 -2.803 -12.413 26 2HG ARG 4 1HG ARG 4 -17.769 -1.504 -12.938 27 1HD ARG 4 2HD ARG 4 -20.096 -0.845 -13.173 28 2HD ARG 4 1HD ARG 4 -19.321 -0.957 -14.749 29 HE ARG 4 HE ARG 4 -20.869 -2.530 -15.304 30 1HH1 ARG 4 1HH1 ARG 4 -20.608 -2.459 -11.823 31 2HH1 ARG 4 2HH1 ARG 4 -21.821 -3.670 -11.584 32 1HH2 ARG 4 1HH2 ARG 4 -22.467 -4.118 -14.989 33 2HH2 ARG 4 2HH2 ARG 4 -22.878 -4.610 -13.379 34 H LYS 5 H LYS 5 -15.354 -3.891 -14.389 35 HA LYS 5 HA LYS 5 -14.822 -5.767 -16.385 36 1HB LYS 5 2HB LYS 5 -14.050 -3.886 -17.726 37 2HB LYS 5 1HB LYS 5 -12.976 -3.370 -16.432 38 1HG LYS 5 2HG LYS 5 -11.784 -4.525 -18.232 39 2HG LYS 5 1HG LYS 5 -11.646 -5.373 -16.690 40 1HD LYS 5 2HD LYS 5 -13.411 -6.917 -17.380 41 2HD LYS 5 1HD LYS 5 -13.558 -6.067 -18.919 42 1HE LYS 5 2HE LYS 5 -11.240 -6.646 -19.456 43 2HE LYS 5 1HE LYS 5 -11.096 -7.495 -17.917 44 1HZ LYS 5 1HZ LYS 5 -12.254 -9.249 -18.678 45 2HZ LYS 5 2HZ LYS 5 -11.766 -8.686 -20.196 46 3HZ LYS 5 3HZ LYS 5 -13.308 -8.312 -19.612 47 H ALA 6 H ALA 6 -13.538 -3.798 -13.785 48 HA ALA 6 HA ALA 6 -11.320 -5.102 -12.950 49 1HB ALA 6 1HB ALA 6 -12.358 -3.112 -11.870 50 2HB ALA 6 2HB ALA 6 -11.762 -4.318 -10.730 51 3HB ALA 6 3HB ALA 6 -13.489 -4.200 -11.068 52 H VAL 7 H VAL 7 -10.786 -7.085 -12.257 53 HA VAL 7 HA VAL 7 -12.943 -8.959 -11.660 54 HB VAL 7 HB VAL 7 -11.222 -10.689 -11.916 55 1HG1 VAL 7 1HG1 VAL 7 -10.973 -9.175 -14.432 56 2HG1 VAL 7 2HG1 VAL 7 -12.613 -9.428 -13.836 57 3HG1 VAL 7 3HG1 VAL 7 -11.565 -10.811 -14.149 58 1HG2 VAL 7 1HG2 VAL 7 -9.292 -9.030 -13.303 59 2HG2 VAL 7 2HG2 VAL 7 -9.037 -10.269 -12.074 60 3HG2 VAL 7 3HG2 VAL 7 -9.428 -8.618 -11.594 61 H ILE 8 H ILE 8 -13.153 -9.938 -9.752 62 HA ILE 8 HA ILE 8 -11.436 -9.018 -7.564 63 HB ILE 8 HB ILE 8 -14.121 -10.402 -7.475 64 1HG1 ILE 8 2HG1 ILE 8 -14.898 -8.208 -6.571 65 2HG1 ILE 8 1HG1 ILE 8 -13.307 -7.542 -6.919 66 1HG2 ILE 8 1HG2 ILE 8 -13.860 -9.451 -5.006 67 2HG2 ILE 8 2HG2 ILE 8 -12.156 -9.720 -5.366 68 3HG2 ILE 8 3HG2 ILE 8 -13.297 -11.060 -5.462 69 1HD1 ILE 8 1HD1 ILE 8 -13.645 -7.602 -9.204 70 2HD1 ILE 8 2HD1 ILE 8 -15.230 -7.148 -8.579 71 3HD1 ILE 8 3HD1 ILE 8 -14.924 -8.809 -9.086 72 H LYS 9 H LYS 9 -10.335 -10.411 -6.199 73 HA LYS 9 HA LYS 9 -10.598 -13.280 -6.648 74 1HB LYS 9 2HB LYS 9 -8.197 -13.600 -7.031 75 2HB LYS 9 1HB LYS 9 -8.935 -12.634 -8.300 76 1HG LYS 9 2HG LYS 9 -8.062 -10.601 -7.248 77 2HG LYS 9 1HG LYS 9 -7.298 -11.587 -5.999 78 1HD LYS 9 2HD LYS 9 -6.720 -11.710 -8.959 79 2HD LYS 9 1HD LYS 9 -5.696 -10.958 -7.736 80 1HE LYS 9 2HE LYS 9 -6.428 -13.880 -7.889 81 2HE LYS 9 1HE LYS 9 -4.874 -13.176 -8.334 82 1HZ LYS 9 1HZ LYS 9 -5.107 -12.278 -5.850 83 2HZ LYS 9 2HZ LYS 9 -4.372 -13.753 -6.230 84 3HZ LYS 9 3HZ LYS 9 -5.976 -13.722 -5.701 85 H ASN 10 H ASN 10 -10.972 -11.266 -4.441 86 HA ASN 10 HA ASN 10 -10.073 -12.897 -2.316 87 1HB ASN 10 2HB ASN 10 -8.465 -10.436 -2.909 88 2HB ASN 10 1HB ASN 10 -8.646 -10.998 -1.252 89 1HD2 ASN 10 1HD2 ASN 10 -6.685 -11.092 -3.844 90 2HD2 ASN 10 2HD2 ASN 10 -5.864 -12.583 -3.551 91 H ALA 11 H ALA 11 -12.535 -11.922 -3.026 92 HA ALA 11 HA ALA 11 -13.301 -9.546 -1.720 93 1HB ALA 11 1HB ALA 11 -15.318 -11.690 -1.901 94 2HB ALA 11 2HB ALA 11 -14.543 -11.232 -3.419 95 3HB ALA 11 3HB ALA 11 -15.383 -10.017 -2.454 96 H ASP 12 H ASP 12 -13.946 -9.117 0.329 97 HA ASP 12 HA ASP 12 -14.556 -11.204 2.214 98 1HB ASP 12 2HB ASP 12 -12.035 -9.566 2.542 99 2HB ASP 12 1HB ASP 12 -12.750 -10.552 3.812 100 H MET 13 H MET 13 -16.287 -9.395 1.488 101 HA MET 13 HA MET 13 -16.927 -8.005 3.858 102 1HB MET 13 2HB MET 13 -15.139 -6.498 3.004 103 2HB MET 13 1HB MET 13 -16.086 -6.247 1.544 104 1HG MET 13 2HG MET 13 -17.841 -5.192 2.800 105 2HG MET 13 1HG MET 13 -17.025 -5.562 4.318 106 1HE MET 13 1HE MET 13 -15.028 -3.812 0.996 107 2HE MET 13 2HE MET 13 -16.096 -2.423 1.205 108 3HE MET 13 3HE MET 13 -16.778 -4.030 0.949 109 H SER 14 H SER 14 -18.941 -6.677 3.577 110 HA SER 14 HA SER 14 -20.994 -8.044 2.470 111 1HB SER 14 2HB SER 14 -20.785 -5.034 2.688 112 2HB SER 14 1HB SER 14 -22.289 -5.927 2.462 113 HG SER 14 HG SER 14 -21.578 -5.314 4.703 114 H GLU 15 H GLU 15 -21.992 -8.288 0.542 115 HA GLU 15 HA GLU 15 -20.628 -8.074 -1.833 116 1HB GLU 15 2HB GLU 15 -23.620 -8.051 -1.447 117 2HB GLU 15 1HB GLU 15 -22.792 -8.420 -2.953 118 1HG GLU 15 2HG GLU 15 -21.757 -10.369 -1.912 119 2HG GLU 15 1HG GLU 15 -22.577 -9.996 -0.397 120 H GLU 16 H GLU 16 -23.075 -5.834 -0.594 121 HA GLU 16 HA GLU 16 -23.048 -4.081 -2.782 122 1HB GLU 16 2HB GLU 16 -24.090 -2.454 -1.261 123 2HB GLU 16 1HB GLU 16 -24.828 -4.043 -1.118 124 1HG GLU 16 2HG GLU 16 -23.533 -4.466 0.907 125 2HG GLU 16 1HG GLU 16 -22.792 -2.872 0.764 126 H MET 17 H MET 17 -21.159 -4.073 0.216 127 HA MET 17 HA MET 17 -19.875 -1.617 -0.218 128 1HB MET 17 2HB MET 17 -18.891 -4.021 1.325 129 2HB MET 17 1HB MET 17 -18.231 -2.393 1.443 130 1HG MET 17 2HG MET 17 -20.385 -1.584 2.268 131 2HG MET 17 1HG MET 17 -21.038 -3.215 2.159 132 1HE MET 17 1HE MET 17 -18.653 -0.809 4.394 133 2HE MET 17 2HE MET 17 -17.700 -1.704 3.210 134 3HE MET 17 3HE MET 17 -17.549 -2.077 4.927 135 H GLN 18 H GLN 18 -18.832 -4.925 -0.995 136 HA GLN 18 HA GLN 18 -16.376 -4.142 -2.164 137 1HB GLN 18 2HB GLN 18 -16.400 -6.407 -3.194 138 2HB GLN 18 1HB GLN 18 -16.663 -6.418 -1.457 139 1HG GLN 18 2HG GLN 18 -19.089 -6.638 -1.874 140 2HG GLN 18 1HG GLN 18 -18.747 -6.743 -3.599 141 1HE2 GLN 18 1HE2 GLN 18 -19.098 -8.442 -0.740 142 2HE2 GLN 18 2HE2 GLN 18 -18.483 -9.963 -1.265 143 H GLN 19 H GLN 19 -19.622 -4.584 -3.441 144 HA GLN 19 HA GLN 19 -18.958 -4.358 -6.175 145 1HB GLN 19 2HB GLN 19 -21.108 -5.254 -5.414 146 2HB GLN 19 1HB GLN 19 -21.544 -3.682 -4.761 147 1HG GLN 19 2HG GLN 19 -22.647 -4.078 -6.881 148 2HG GLN 19 1HG GLN 19 -21.514 -2.733 -7.005 149 1HE2 GLN 19 1HE2 GLN 19 -20.395 -2.723 -8.805 150 2HE2 GLN 19 2HE2 GLN 19 -19.898 -4.107 -9.710 151 H ASP 20 H ASP 20 -19.823 -1.979 -3.718 152 HA ASP 20 HA ASP 20 -19.946 0.239 -5.481 153 1HB ASP 20 2HB ASP 20 -21.000 0.283 -3.262 154 2HB ASP 20 1HB ASP 20 -19.416 0.168 -2.499 155 H SER 21 H SER 21 -17.360 -1.223 -3.599 156 HA SER 21 HA SER 21 -15.459 0.827 -4.062 157 1HB SER 21 2HB SER 21 -13.785 -0.848 -3.354 158 2HB SER 21 1HB SER 21 -15.164 -0.809 -2.257 159 HG SER 21 HG SER 21 -14.664 -2.943 -2.747 160 H VAL 22 H VAL 22 -16.241 -2.189 -5.727 161 HA VAL 22 HA VAL 22 -14.173 -2.051 -7.648 162 HB VAL 22 HB VAL 22 -16.873 -3.379 -7.929 163 1HG1 VAL 22 1HG1 VAL 22 -15.960 -4.677 -9.656 164 2HG1 VAL 22 2HG1 VAL 22 -14.312 -4.187 -9.269 165 3HG1 VAL 22 3HG1 VAL 22 -15.426 -3.033 -10.001 166 1HG2 VAL 22 1HG2 VAL 22 -14.522 -5.003 -7.247 167 2HG2 VAL 22 2HG2 VAL 22 -16.183 -5.107 -6.666 168 3HG2 VAL 22 3HG2 VAL 22 -15.080 -3.917 -5.974 169 H GLU 23 H GLU 23 -17.573 -1.062 -7.739 170 HA GLU 23 HA GLU 23 -17.497 -0.020 -10.368 171 1HB GLU 23 2HB GLU 23 -19.598 -0.636 -9.296 172 2HB GLU 23 1HB GLU 23 -19.350 0.586 -8.057 173 1HG GLU 23 2HG GLU 23 -19.518 2.334 -9.736 174 2HG GLU 23 1HG GLU 23 -19.741 1.118 -10.990 175 H CYS 24 H CYS 24 -17.050 1.378 -7.173 176 HA CYS 24 HA CYS 24 -16.843 4.074 -7.976 177 1HB CYS 24 2HB CYS 24 -17.258 3.383 -5.647 178 2HB CYS 24 1HB CYS 24 -15.635 2.707 -5.561 179 HG CYS 24 HG CYS 24 -15.488 5.027 -4.498 180 H ALA 25 H ALA 25 -14.541 1.439 -7.861 181 HA ALA 25 HA ALA 25 -12.200 3.026 -8.139 182 1HB ALA 25 1HB ALA 25 -11.426 0.653 -9.134 183 2HB ALA 25 2HB ALA 25 -12.867 0.150 -8.252 184 3HB ALA 25 3HB ALA 25 -11.562 0.979 -7.406 185 H THR 26 H THR 26 -14.363 1.354 -10.359 186 HA THR 26 HA THR 26 -12.909 1.768 -12.696 187 HB THR 26 HB THR 26 -15.904 1.581 -12.353 188 HG1 THR 26 1HG THR 26 -15.631 -0.574 -12.589 189 1HG2 THR 26 1HG2 THR 26 -16.202 1.425 -14.559 190 2HG2 THR 26 2HG2 THR 26 -14.697 0.540 -14.803 191 3HG2 THR 26 3HG2 THR 26 -14.672 2.297 -14.654 192 H GLN 27 H GLN 27 -15.376 3.736 -11.126 193 HA GLN 27 HA GLN 27 -15.544 5.763 -13.054 194 1HB GLN 27 2HB GLN 27 -17.169 5.505 -11.229 195 2HB GLN 27 1HB GLN 27 -15.930 5.933 -10.057 196 1HG GLN 27 2HG GLN 27 -15.752 8.150 -11.050 197 2HG GLN 27 1HG GLN 27 -16.994 7.722 -12.225 198 1HE2 GLN 27 1HE2 GLN 27 -16.476 9.347 -9.459 199 2HE2 GLN 27 2HE2 GLN 27 -18.056 9.281 -8.763 200 H ALA 28 H ALA 28 -13.429 5.315 -10.265 201 HA ALA 28 HA ALA 28 -12.148 7.775 -10.223 202 1HB ALA 28 1HB ALA 28 -11.959 5.613 -8.707 203 2HB ALA 28 2HB ALA 28 -10.682 6.828 -8.759 204 3HB ALA 28 3HB ALA 28 -10.527 5.343 -9.700 205 H LEU 29 H LEU 29 -11.307 4.850 -12.074 206 HA LEU 29 HA LEU 29 -8.979 5.890 -13.242 207 1HB LEU 29 2HB LEU 29 -10.874 3.728 -14.088 208 2HB LEU 29 1HB LEU 29 -9.463 4.144 -15.045 209 HG LEU 29 HG LEU 29 -9.312 3.337 -12.154 210 1HD1 LEU 29 1HD1 LEU 29 -8.517 1.147 -13.035 211 2HD1 LEU 29 2HD1 LEU 29 -9.030 1.660 -14.643 212 3HD1 LEU 29 3HD1 LEU 29 -10.222 1.467 -13.357 213 1HD2 LEU 29 1HD2 LEU 29 -6.930 2.787 -12.976 214 2HD2 LEU 29 2HD2 LEU 29 -7.356 4.471 -12.671 215 3HD2 LEU 29 3HD2 LEU 29 -7.319 3.856 -14.323 216 H GLU 30 H GLU 30 -12.316 5.820 -14.385 217 HA GLU 30 HA GLU 30 -11.858 7.030 -16.877 218 1HB GLU 30 2HB GLU 30 -14.351 7.053 -15.173 219 2HB GLU 30 1HB GLU 30 -14.281 7.494 -16.874 220 1HG GLU 30 2HG GLU 30 -13.574 5.227 -17.435 221 2HG GLU 30 1HG GLU 30 -13.639 4.785 -15.729 222 H LYS 31 H LYS 31 -12.390 8.401 -13.684 223 HA LYS 31 HA LYS 31 -12.646 11.077 -14.748 224 1HB LYS 31 2HB LYS 31 -12.917 11.774 -12.432 225 2HB LYS 31 1HB LYS 31 -13.983 10.428 -12.809 226 1HG LYS 31 2HG LYS 31 -12.293 8.916 -11.763 227 2HG LYS 31 1HG LYS 31 -11.426 10.355 -11.232 228 1HD LYS 31 2HD LYS 31 -14.259 9.603 -10.508 229 2HD LYS 31 1HD LYS 31 -12.850 9.494 -9.452 230 1HE LYS 31 2HE LYS 31 -13.966 11.479 -8.836 231 2HE LYS 31 1HE LYS 31 -12.573 11.987 -9.786 232 1HZ LYS 31 1HZ LYS 31 -13.892 12.941 -11.277 233 2HZ LYS 31 2HZ LYS 31 -15.178 12.706 -10.205 234 3HZ LYS 31 3HZ LYS 31 -14.874 11.571 -11.420 235 H TYR 32 H TYR 32 -10.212 9.178 -13.029 236 HA TYR 32 HA TYR 32 -8.350 11.418 -13.449 237 1HB TYR 32 2HB TYR 32 -8.382 9.396 -11.210 238 2HB TYR 32 1HB TYR 32 -7.064 10.528 -11.493 239 HD1 TYR 32 1HD TYR 32 -8.164 13.058 -11.944 240 HD2 TYR 32 2HD TYR 32 -9.689 9.995 -9.417 241 HE1 TYR 32 1HE TYR 32 -9.321 14.756 -10.593 242 HE2 TYR 32 2HE TYR 32 -10.852 11.683 -8.061 243 HH TYR 32 HH TYR 32 -11.350 14.818 -9.060 244 H ASN 33 H ASN 33 -8.517 7.867 -13.237 245 HA ASN 33 HA ASN 33 -7.339 6.239 -14.312 246 1HB ASN 33 2HB ASN 33 -7.886 7.499 -16.371 247 2HB ASN 33 1HB ASN 33 -6.443 8.480 -16.143 248 1HD2 ASN 33 1HD2 ASN 33 -4.831 7.903 -17.382 249 2HD2 ASN 33 2HD2 ASN 33 -4.470 6.300 -17.915 250 H ILE 34 H ILE 34 -6.224 7.216 -12.035 251 HA ILE 34 HA ILE 34 -3.390 6.789 -12.541 252 HB ILE 34 HB ILE 34 -4.361 9.199 -11.001 253 1HG1 ILE 34 2HG1 ILE 34 -2.899 9.001 -13.645 254 2HG1 ILE 34 1HG1 ILE 34 -4.570 9.506 -13.424 255 1HG2 ILE 34 1HG2 ILE 34 -1.582 8.170 -11.553 256 2HG2 ILE 34 2HG2 ILE 34 -2.378 8.306 -9.984 257 3HG2 ILE 34 3HG2 ILE 34 -1.942 9.760 -10.881 258 1HD1 ILE 34 1HD1 ILE 34 -3.971 11.545 -12.525 259 2HD1 ILE 34 2HD1 ILE 34 -2.737 11.288 -13.759 260 3HD1 ILE 34 3HD1 ILE 34 -2.365 10.985 -12.062 261 H GLU 35 H GLU 35 -2.451 5.613 -10.981 262 HA GLU 35 HA GLU 35 -3.794 4.108 -9.163 263 1HB GLU 35 2HB GLU 35 -0.980 5.161 -8.839 264 2HB GLU 35 1HB GLU 35 -1.645 3.757 -8.021 265 1HG GLU 35 2HG GLU 35 -1.800 2.542 -10.052 266 2HG GLU 35 1HG GLU 35 -1.437 3.977 -11.010 267 H LYS 36 H LYS 36 -1.912 6.979 -8.260 268 HA LYS 36 HA LYS 36 -2.638 7.113 -5.594 269 1HB LYS 36 2HB LYS 36 -0.840 8.431 -6.637 270 2HB LYS 36 1HB LYS 36 -2.045 9.422 -7.443 271 1HG LYS 36 2HG LYS 36 -2.904 10.031 -5.152 272 2HG LYS 36 1HG LYS 36 -1.460 9.247 -4.502 273 1HD LYS 36 2HD LYS 36 -1.059 11.616 -4.695 274 2HD LYS 36 1HD LYS 36 -0.071 10.759 -5.879 275 1HE LYS 36 2HE LYS 36 -1.671 11.298 -7.631 276 2HE LYS 36 1HE LYS 36 -2.706 12.108 -6.455 277 1HZ LYS 36 1HZ LYS 36 -1.376 13.911 -6.393 278 2HZ LYS 36 2HZ LYS 36 -0.931 13.388 -7.938 279 3HZ LYS 36 3HZ LYS 36 0.051 13.028 -6.608 280 H ASP 37 H ASP 37 -4.063 9.039 -8.236 281 HA ASP 37 HA ASP 37 -6.009 10.349 -6.804 282 1HB ASP 37 2HB ASP 37 -6.096 9.372 -9.659 283 2HB ASP 37 1HB ASP 37 -7.279 10.479 -8.966 284 H ILE 38 H ILE 38 -6.278 7.145 -8.312 285 HA ILE 38 HA ILE 38 -8.958 6.638 -7.899 286 HB ILE 38 HB ILE 38 -6.618 4.734 -7.725 287 1HG1 ILE 38 2HG1 ILE 38 -8.609 5.237 -9.944 288 2HG1 ILE 38 1HG1 ILE 38 -6.983 5.899 -9.891 289 1HG2 ILE 38 1HG2 ILE 38 -8.550 3.791 -6.545 290 2HG2 ILE 38 2HG2 ILE 38 -8.190 2.909 -8.028 291 3HG2 ILE 38 3HG2 ILE 38 -9.539 4.040 -7.983 292 1HD1 ILE 38 1HD1 ILE 38 -6.691 3.144 -9.532 293 2HD1 ILE 38 2HD1 ILE 38 -6.290 4.095 -10.963 294 3HD1 ILE 38 3HD1 ILE 38 -7.880 3.346 -10.818 295 H ALA 39 H ALA 39 -6.314 5.752 -5.688 296 HA ALA 39 HA ALA 39 -8.012 4.920 -3.585 297 1HB ALA 39 1HB ALA 39 -5.107 5.713 -3.574 298 2HB ALA 39 2HB ALA 39 -5.764 4.086 -3.737 299 3HB ALA 39 3HB ALA 39 -5.948 4.963 -2.217 300 H ALA 40 H ALA 40 -6.925 8.038 -4.589 301 HA ALA 40 HA ALA 40 -7.030 9.362 -2.095 302 1HB ALA 40 1HB ALA 40 -6.376 10.038 -4.723 303 2HB ALA 40 2HB ALA 40 -6.236 11.053 -3.287 304 3HB ALA 40 3HB ALA 40 -7.697 11.114 -4.273 305 H HIS 41 H HIS 41 -9.333 9.654 -4.802 306 HA HIS 41 HA HIS 41 -11.306 10.872 -3.168 307 1HB HIS 41 2HB HIS 41 -12.453 11.222 -5.097 308 2HB HIS 41 1HB HIS 41 -10.897 10.829 -5.813 309 HD1 HIS 41 1HD HIS 41 -14.187 9.155 -4.971 310 HD2 HIS 41 2HD HIS 41 -10.960 8.725 -7.551 311 HE1 HIS 41 1HE HIS 41 -14.846 7.334 -6.568 312 HE2 HIS 41 2HE HIS 41 -12.972 7.246 -8.239 313 H ILE 42 H ILE 42 -10.881 7.562 -4.372 314 HA ILE 42 HA ILE 42 -13.346 6.550 -3.498 315 HB ILE 42 HB ILE 42 -10.719 5.084 -3.770 316 1HG1 ILE 42 2HG1 ILE 42 -13.014 5.356 -5.715 317 2HG1 ILE 42 1HG1 ILE 42 -11.503 6.252 -5.819 318 1HG2 ILE 42 1HG2 ILE 42 -12.288 3.117 -4.151 319 2HG2 ILE 42 2HG2 ILE 42 -13.544 4.123 -3.428 320 3HG2 ILE 42 3HG2 ILE 42 -12.113 3.688 -2.492 321 1HD1 ILE 42 1HD1 ILE 42 -11.242 4.494 -7.308 322 2HD1 ILE 42 2HD1 ILE 42 -11.982 3.327 -6.211 323 3HD1 ILE 42 3HD1 ILE 42 -10.372 3.963 -5.869 324 H LYS 43 H LYS 43 -10.181 6.592 -1.846 325 HA LYS 43 HA LYS 43 -11.020 5.241 0.463 326 1HB LYS 43 2HB LYS 43 -8.642 5.676 -0.148 327 2HB LYS 43 1HB LYS 43 -8.873 7.363 0.295 328 1HG LYS 43 2HG LYS 43 -9.529 6.557 2.586 329 2HG LYS 43 1HG LYS 43 -8.978 4.956 2.091 330 1HD LYS 43 2HD LYS 43 -7.206 6.060 3.291 331 2HD LYS 43 1HD LYS 43 -6.752 5.932 1.591 332 1HE LYS 43 2HE LYS 43 -7.321 8.234 1.208 333 2HE LYS 43 1HE LYS 43 -7.990 8.383 2.832 334 1HZ LYS 43 1HZ LYS 43 -5.968 8.632 3.736 335 2HZ LYS 43 2HZ LYS 43 -5.504 9.089 2.175 336 3HZ LYS 43 3HZ LYS 43 -5.231 7.507 2.707 337 H LYS 44 H LYS 44 -10.696 8.747 -0.121 338 HA LYS 44 HA LYS 44 -11.642 9.607 2.355 339 1HB LYS 44 2HB LYS 44 -11.865 10.941 -0.346 340 2HB LYS 44 1HB LYS 44 -12.190 11.741 1.187 341 1HG LYS 44 2HG LYS 44 -9.888 11.389 1.880 342 2HG LYS 44 1HG LYS 44 -9.552 10.539 0.371 343 1HD LYS 44 2HD LYS 44 -10.073 12.571 -0.889 344 2HD LYS 44 1HD LYS 44 -10.417 13.419 0.619 345 1HE LYS 44 2HE LYS 44 -7.764 12.224 -0.178 346 2HE LYS 44 1HE LYS 44 -8.176 13.938 -0.211 347 1HZ LYS 44 1HZ LYS 44 -7.205 12.416 1.939 348 2HZ LYS 44 2HZ LYS 44 -8.750 12.975 2.344 349 3HZ LYS 44 3HZ LYS 44 -7.545 14.073 1.892 350 H GLU 45 H GLU 45 -13.446 8.879 -0.609 351 HA GLU 45 HA GLU 45 -15.955 9.777 0.189 352 1HB GLU 45 2HB GLU 45 -15.449 9.072 -2.100 353 2HB GLU 45 1HB GLU 45 -15.284 7.406 -1.564 354 1HG GLU 45 2HG GLU 45 -17.641 7.383 -0.915 355 2HG GLU 45 1HG GLU 45 -17.804 9.050 -1.466 356 H PHE 46 H PHE 46 -14.534 6.531 0.584 357 HA PHE 46 HA PHE 46 -16.758 5.433 1.926 358 1HB PHE 46 2HB PHE 46 -13.870 4.627 1.741 359 2HB PHE 46 1HB PHE 46 -15.007 3.733 2.742 360 HD1 PHE 46 1HD PHE 46 -17.332 3.277 1.400 361 HD2 PHE 46 2HD PHE 46 -13.465 3.715 -0.321 362 HE1 PHE 46 1HE PHE 46 -18.063 1.980 -0.559 363 HE2 PHE 46 2HE PHE 46 -14.189 2.419 -2.285 364 HZ PHE 46 HZ PHE 46 -16.493 1.546 -2.405 365 H ASP 47 H ASP 47 -13.794 6.942 3.138 366 HA ASP 47 HA ASP 47 -14.129 6.425 5.850 367 1HB ASP 47 2HB ASP 47 -12.907 8.859 4.535 368 2HB ASP 47 1HB ASP 47 -12.723 8.436 6.234 369 H LYS 48 H LYS 48 -15.564 8.921 3.838 370 HA LYS 48 HA LYS 48 -16.748 10.298 6.071 371 1HB LYS 48 2HB LYS 48 -16.071 11.609 4.182 372 2HB LYS 48 1HB LYS 48 -17.006 10.608 3.082 373 1HG LYS 48 2HG LYS 48 -18.109 12.722 3.464 374 2HG LYS 48 1HG LYS 48 -19.069 11.393 4.120 375 1HD LYS 48 2HD LYS 48 -19.032 13.271 5.671 376 2HD LYS 48 1HD LYS 48 -18.196 11.877 6.359 377 1HE LYS 48 2HE LYS 48 -16.966 13.949 6.772 378 2HE LYS 48 1HE LYS 48 -16.048 12.846 5.747 379 1HZ LYS 48 1HZ LYS 48 -16.734 14.127 3.817 380 2HZ LYS 48 2HZ LYS 48 -15.939 15.119 4.933 381 3HZ LYS 48 3HZ LYS 48 -17.624 15.179 4.798 382 H LYS 49 H LYS 49 -17.820 8.118 3.525 383 HA LYS 49 HA LYS 49 -20.580 8.286 4.252 384 1HB LYS 49 2HB LYS 49 -19.946 7.854 1.959 385 2HB LYS 49 1HB LYS 49 -19.105 6.386 2.436 386 1HG LYS 49 2HG LYS 49 -21.249 5.883 1.427 387 2HG LYS 49 1HG LYS 49 -21.216 5.390 3.121 388 1HD LYS 49 2HD LYS 49 -22.419 7.438 3.733 389 2HD LYS 49 1HD LYS 49 -22.462 7.914 2.033 390 1HE LYS 49 2HE LYS 49 -24.578 6.917 2.715 391 2HE LYS 49 1HE LYS 49 -23.772 5.920 1.506 392 1HZ LYS 49 1HZ LYS 49 -24.761 4.717 3.466 393 2HZ LYS 49 2HZ LYS 49 -23.533 5.395 4.411 394 3HZ LYS 49 3HZ LYS 49 -23.141 4.362 3.129 395 H TYR 50 H TYR 50 -18.289 5.570 4.352 396 HA TYR 50 HA TYR 50 -20.052 4.139 6.146 397 1HB TYR 50 2HB TYR 50 -17.416 3.355 4.904 398 2HB TYR 50 1HB TYR 50 -18.396 2.298 5.915 399 HD1 TYR 50 1HD TYR 50 -18.819 4.479 2.903 400 HD2 TYR 50 2HD TYR 50 -19.787 0.813 4.831 401 HE1 TYR 50 1HE TYR 50 -20.119 3.799 0.936 402 HE2 TYR 50 2HE TYR 50 -21.089 0.118 2.863 403 HH TYR 50 HH TYR 50 -22.224 2.041 0.636 404 H ASN 51 H ASN 51 -17.342 6.185 6.438 405 HA ASN 51 HA ASN 51 -16.598 7.107 8.453 406 1HB ASN 51 2HB ASN 51 -17.375 4.501 9.783 407 2HB ASN 51 1HB ASN 51 -16.763 5.935 10.586 408 1HD2 ASN 51 1HD2 ASN 51 -18.585 7.307 8.338 409 2HD2 ASN 51 2HD2 ASN 51 -20.113 7.348 9.137 410 HA PRO 52 HA PRO 52 -12.538 5.589 7.807 411 1HB PRO 52 2HB PRO 52 -11.832 6.654 10.476 412 2HB PRO 52 1HB PRO 52 -11.181 7.072 8.889 413 1HG PRO 52 2HG PRO 52 -12.804 8.742 10.204 414 2HG PRO 52 1HG PRO 52 -12.877 8.579 8.440 415 1HD PRO 52 2HD PRO 52 -14.682 7.420 10.528 416 2HD PRO 52 1HD PRO 52 -15.089 8.126 8.951 417 H THR 53 H THR 53 -11.269 2.996 9.925 418 HA THR 53 HA THR 53 -10.791 5.251 8.100 419 HB THR 53 HB THR 53 -9.336 5.224 10.103 420 HG1 THR 53 1HG THR 53 -8.612 5.938 7.951 421 1HG2 THR 53 1HG2 THR 53 -9.148 2.846 10.504 422 2HG2 THR 53 2HG2 THR 53 -7.555 3.570 10.286 423 3HG2 THR 53 3HG2 THR 53 -8.287 2.640 8.979 424 H TRP 54 H TRP 54 -10.529 4.797 6.030 425 HA TRP 54 HA TRP 54 -10.239 1.992 5.261 426 1HB TRP 54 2HB TRP 54 -11.105 4.392 3.653 427 2HB TRP 54 1HB TRP 54 -10.984 2.750 3.026 428 HD1 TRP 54 HD TRP 54 -12.775 4.434 6.034 429 HE1 TRP 54 1HE TRP 54 -15.125 3.421 6.211 430 HE3 TRP 54 3HE TRP 54 -12.489 1.091 2.178 431 HZ2 TRP 54 2HZ TRP 54 -16.668 1.452 4.881 432 HZ3 TRP 54 3HZ TRP 54 -14.448 -0.322 1.697 433 HH2 TRP 54 HH TRP 54 -16.490 -0.145 3.024 434 H HIS 55 H HIS 55 -8.579 1.210 4.179 435 HA HIS 55 HA HIS 55 -6.410 3.063 3.443 436 1HB HIS 55 2HB HIS 55 -6.069 0.115 3.970 437 2HB HIS 55 1HB HIS 55 -4.847 1.384 4.013 438 HD1 HIS 55 1HD HIS 55 -5.632 3.320 6.003 439 HD2 HIS 55 2HD HIS 55 -6.685 -0.669 6.472 440 HE1 HIS 55 1HE HIS 55 -6.106 3.033 8.455 441 HE2 HIS 55 2HE HIS 55 -6.635 0.587 8.731 442 H CYS 56 H CYS 56 -5.737 3.057 1.321 443 HA CYS 56 HA CYS 56 -6.714 0.871 -0.385 444 1HB CYS 56 2HB CYS 56 -8.305 2.720 -0.585 445 2HB CYS 56 1HB CYS 56 -6.994 3.811 -1.022 446 HG CYS 56 HG CYS 56 -8.397 2.795 -3.111 447 H ILE 57 H ILE 57 -5.467 0.294 -2.071 448 HA ILE 57 HA ILE 57 -3.017 1.817 -2.605 449 HB ILE 57 HB ILE 57 -3.125 -1.181 -2.225 450 1HG1 ILE 57 2HG1 ILE 57 -1.489 -0.677 -0.358 451 2HG1 ILE 57 1HG1 ILE 57 -1.923 1.020 -0.537 452 1HG2 ILE 57 1HG2 ILE 57 -0.559 -0.803 -2.379 453 2HG2 ILE 57 2HG2 ILE 57 -1.014 0.671 -3.234 454 3HG2 ILE 57 3HG2 ILE 57 -1.524 -0.898 -3.850 455 1HD1 ILE 57 1HD1 ILE 57 -3.166 -0.897 1.054 456 2HD1 ILE 57 2HD1 ILE 57 -4.283 -0.595 -0.277 457 3HD1 ILE 57 3HD1 ILE 57 -3.717 0.744 0.724 458 H VAL 58 H VAL 58 -2.194 1.577 -4.743 459 HA VAL 58 HA VAL 58 -3.600 -0.129 -6.611 460 HB VAL 58 HB VAL 58 -3.720 2.870 -6.973 461 1HG1 VAL 58 1HG1 VAL 58 -4.923 2.462 -8.978 462 2HG1 VAL 58 2HG1 VAL 58 -5.034 0.736 -8.642 463 3HG1 VAL 58 3HG1 VAL 58 -3.476 1.456 -9.043 464 1HG2 VAL 58 1HG2 VAL 58 -6.190 2.514 -6.784 465 2HG2 VAL 58 2HG2 VAL 58 -5.295 2.262 -5.286 466 3HG2 VAL 58 3HG2 VAL 58 -5.851 0.876 -6.224 467 H GLY 59 H GLY 59 -2.349 -0.703 -8.279 468 1HA GLY 59 2HA GLY 59 -0.449 0.820 -9.598 469 2HA GLY 59 1HA GLY 59 0.403 0.005 -8.294 470 H ARG 60 H ARG 60 1.573 -1.527 -9.326 471 HA ARG 60 HA ARG 60 0.358 -3.881 -10.235 472 1HB ARG 60 2HB ARG 60 0.856 -3.788 -12.644 473 2HB ARG 60 1HB ARG 60 -0.334 -2.582 -12.173 474 1HG ARG 60 2HG ARG 60 1.420 -0.869 -12.172 475 2HG ARG 60 1HG ARG 60 2.592 -2.085 -12.683 476 1HD ARG 60 2HD ARG 60 1.274 -2.474 -14.721 477 2HD ARG 60 1HD ARG 60 0.132 -1.232 -14.211 478 HE ARG 60 HE ARG 60 1.563 0.318 -15.056 479 1HH1 ARG 60 1HH1 ARG 60 3.401 -2.566 -14.352 480 2HH1 ARG 60 2HH1 ARG 60 4.892 -1.910 -14.936 481 1HH2 ARG 60 1HH2 ARG 60 3.522 1.178 -15.832 482 2HH2 ARG 60 2HH2 ARG 60 4.960 0.215 -15.780 483 H ASN 61 H ASN 61 2.463 -3.206 -8.541 484 HA ASN 61 HA ASN 61 4.371 -5.102 -9.022 485 1HB ASN 61 2HB ASN 61 5.059 -3.818 -11.004 486 2HB ASN 61 1HB ASN 61 5.323 -2.398 -10.003 487 1HD2 ASN 61 1HD2 ASN 61 6.231 -5.292 -8.454 488 2HD2 ASN 61 2HD2 ASN 61 7.926 -5.186 -8.750 489 H PHE 62 H PHE 62 3.618 -4.960 -6.737 490 HA PHE 62 HA PHE 62 5.645 -3.834 -5.085 491 1HB PHE 62 2HB PHE 62 4.253 -2.229 -3.850 492 2HB PHE 62 1HB PHE 62 4.410 -1.772 -5.546 493 HD1 PHE 62 1HD PHE 62 2.527 -2.265 -7.113 494 HD2 PHE 62 2HD PHE 62 2.144 -2.639 -2.898 495 HE1 PHE 62 1HE PHE 62 0.078 -2.246 -7.343 496 HE2 PHE 62 2HE PHE 62 -0.306 -2.612 -3.113 497 HZ PHE 62 HZ PHE 62 -1.343 -2.416 -5.339 498 H GLY 63 H GLY 63 5.725 -4.846 -3.170 499 1HA GLY 63 2HA GLY 63 3.738 -6.897 -2.616 500 2HA GLY 63 1HA GLY 63 5.245 -6.640 -1.741 501 H SER 64 H SER 64 2.053 -6.647 -1.245 502 HA SER 64 HA SER 64 2.143 -4.307 0.547 503 1HB SER 64 2HB SER 64 -0.276 -5.663 -0.657 504 2HB SER 64 1HB SER 64 -0.307 -4.259 0.410 505 HG SER 64 HG SER 64 0.758 -3.076 -1.166 506 H TYR 65 H TYR 65 1.487 -4.446 2.638 507 HA TYR 65 HA TYR 65 0.453 -6.922 3.725 508 1HB TYR 65 2HB TYR 65 3.053 -7.013 3.671 509 2HB TYR 65 1HB TYR 65 2.967 -5.832 4.975 510 HD1 TYR 65 1HD TYR 65 1.147 -8.992 4.136 511 HD2 TYR 65 2HD TYR 65 3.318 -6.780 7.049 512 HE1 TYR 65 1HE TYR 65 0.840 -10.826 5.744 513 HE2 TYR 65 2HE TYR 65 3.017 -8.609 8.668 514 HH TYR 65 HH TYR 65 1.581 -10.487 9.079 515 H VAL 66 H VAL 66 -1.096 -6.331 5.123 516 HA VAL 66 HA VAL 66 -0.747 -4.042 6.886 517 HB VAL 66 HB VAL 66 -3.001 -4.120 4.874 518 1HG1 VAL 66 1HG1 VAL 66 -3.825 -3.054 6.792 519 2HG1 VAL 66 2HG1 VAL 66 -3.334 -1.743 5.720 520 3HG1 VAL 66 3HG1 VAL 66 -2.308 -2.202 7.076 521 1HG2 VAL 66 1HG2 VAL 66 -0.508 -2.431 4.957 522 2HG2 VAL 66 2HG2 VAL 66 -1.915 -2.044 3.969 523 3HG2 VAL 66 3HG2 VAL 66 -1.022 -3.539 3.686 524 H THR 67 H THR 67 -2.639 -3.758 8.344 525 HA THR 67 HA THR 67 -4.036 -6.314 8.843 526 HB THR 67 HB THR 67 -3.268 -4.132 10.809 527 HG1 THR 67 1HG THR 67 -2.180 -6.664 10.225 528 1HG2 THR 67 1HG2 THR 67 -5.137 -5.042 11.794 529 2HG2 THR 67 2HG2 THR 67 -3.838 -6.034 12.459 530 3HG2 THR 67 3HG2 THR 67 -4.831 -6.650 11.138 531 H HIS 68 H HIS 68 -6.267 -6.201 9.424 532 HA HIS 68 HA HIS 68 -7.615 -3.650 9.416 533 1HB HIS 68 2HB HIS 68 -8.971 -4.196 7.385 534 2HB HIS 68 1HB HIS 68 -7.270 -3.881 7.046 535 HD1 HIS 68 1HD HIS 68 -9.687 -6.767 7.378 536 HD2 HIS 68 2HD HIS 68 -5.911 -5.946 5.855 537 HE1 HIS 68 1HE HIS 68 -8.995 -8.844 6.144 538 HE2 HIS 68 2HE HIS 68 -6.656 -8.368 5.344 539 H GLU 69 H GLU 69 -9.723 -3.737 10.093 540 HA GLU 69 HA GLU 69 -10.483 -5.837 11.770 541 1HB GLU 69 2HB GLU 69 -11.296 -3.546 12.042 542 2HB GLU 69 1HB GLU 69 -12.177 -3.663 10.525 543 1HG GLU 69 2HG GLU 69 -13.587 -5.410 11.472 544 2HG GLU 69 1HG GLU 69 -12.701 -5.300 12.992 545 H THR 70 H THR 70 -11.897 -7.533 11.559 546 HA THR 70 HA THR 70 -12.091 -8.851 9.125 547 HB THR 70 HB THR 70 -13.762 -10.295 10.221 548 HG1 THR 70 1HG THR 70 -14.812 -8.578 11.385 549 1HG2 THR 70 1HG2 THR 70 -12.035 -9.950 12.523 550 2HG2 THR 70 2HG2 THR 70 -11.145 -9.994 11.002 551 3HG2 THR 70 3HG2 THR 70 -12.216 -11.325 11.434 552 H LYS 71 H LYS 71 -13.848 -9.286 7.726 553 HA LYS 71 HA LYS 71 -15.624 -8.740 6.405 554 1HB LYS 71 2HB LYS 71 -16.646 -7.270 8.840 555 2HB LYS 71 1HB LYS 71 -17.595 -7.745 7.440 556 1HG LYS 71 2HG LYS 71 -16.239 -9.670 9.317 557 2HG LYS 71 1HG LYS 71 -17.931 -9.188 9.420 558 1HD LYS 71 2HD LYS 71 -18.073 -11.171 8.246 559 2HD LYS 71 1HD LYS 71 -18.027 -9.986 6.940 560 1HE LYS 71 2HE LYS 71 -16.560 -11.914 6.516 561 2HE LYS 71 1HE LYS 71 -15.662 -10.404 6.605 562 1HZ LYS 71 1HZ LYS 71 -15.961 -12.116 8.986 563 2HZ LYS 71 2HZ LYS 71 -14.774 -10.958 8.655 564 3HZ LYS 71 3HZ LYS 71 -14.760 -12.439 7.838 565 H HIS 72 H HIS 72 -13.316 -7.168 6.311 566 HA HIS 72 HA HIS 72 -14.358 -4.825 5.011 567 1HB HIS 72 2HB HIS 72 -12.609 -4.513 7.459 568 2HB HIS 72 1HB HIS 72 -12.991 -3.218 6.332 569 HD1 HIS 72 1HD HIS 72 -15.844 -3.077 6.038 570 HD2 HIS 72 2HD HIS 72 -14.188 -4.352 9.629 571 HE1 HIS 72 1HE HIS 72 -17.637 -2.726 7.767 572 HE2 HIS 72 2HE HIS 72 -16.585 -3.431 9.945 573 H PHE 73 H PHE 73 -13.202 -6.575 3.578 574 HA PHE 73 HA PHE 73 -10.664 -5.426 2.842 575 1HB PHE 73 2HB PHE 73 -9.834 -6.977 4.465 576 2HB PHE 73 1HB PHE 73 -10.850 -8.270 3.836 577 HD1 PHE 73 1HD PHE 73 -8.330 -5.884 2.443 578 HD2 PHE 73 2HD PHE 73 -9.716 -9.895 2.711 579 HE1 PHE 73 1HE PHE 73 -6.501 -6.611 0.966 580 HE2 PHE 73 2HE PHE 73 -7.891 -10.632 1.234 581 HZ PHE 73 HZ PHE 73 -6.280 -8.986 0.360 582 H ILE 74 H ILE 74 -10.171 -5.703 0.710 583 HA ILE 74 HA ILE 74 -11.360 -7.754 -0.894 584 HB ILE 74 HB ILE 74 -13.308 -6.298 -0.703 585 1HG1 ILE 74 2HG1 ILE 74 -11.981 -6.167 -3.421 586 2HG1 ILE 74 1HG1 ILE 74 -12.965 -7.491 -2.809 587 1HG2 ILE 74 1HG2 ILE 74 -11.424 -4.179 -1.706 588 2HG2 ILE 74 2HG2 ILE 74 -12.372 -4.184 -0.219 589 3HG2 ILE 74 3HG2 ILE 74 -13.180 -4.015 -1.778 590 1HD1 ILE 74 1HD1 ILE 74 -14.696 -5.452 -2.543 591 2HD1 ILE 74 2HD1 ILE 74 -14.576 -6.466 -3.981 592 3HD1 ILE 74 3HD1 ILE 74 -13.764 -4.900 -3.935 593 H TYR 75 H TYR 75 -10.307 -8.036 -2.779 594 HA TYR 75 HA TYR 75 -8.471 -5.950 -3.725 595 1HB TYR 75 2HB TYR 75 -7.176 -7.549 -2.337 596 2HB TYR 75 1HB TYR 75 -7.717 -8.860 -3.374 597 HD1 TYR 75 1HD TYR 75 -6.103 -5.507 -3.773 598 HD2 TYR 75 2HD TYR 75 -6.205 -9.596 -4.939 599 HE1 TYR 75 1HE TYR 75 -4.167 -5.132 -5.243 600 HE2 TYR 75 2HE TYR 75 -4.271 -9.234 -6.410 601 HH TYR 75 HH TYR 75 -2.426 -6.316 -6.336 602 H PHE 76 H PHE 76 -8.393 -5.779 -5.928 603 HA PHE 76 HA PHE 76 -9.175 -7.914 -7.663 604 1HB PHE 76 2HB PHE 76 -11.209 -6.819 -8.550 605 2HB PHE 76 1HB PHE 76 -11.378 -7.269 -6.856 606 HD1 PHE 76 1HD PHE 76 -10.411 -4.365 -8.985 607 HD2 PHE 76 2HD PHE 76 -12.203 -5.721 -5.373 608 HE1 PHE 76 1HE PHE 76 -11.047 -2.053 -8.438 609 HE2 PHE 76 2HE PHE 76 -12.844 -3.409 -4.819 610 HZ PHE 76 HZ PHE 76 -12.266 -1.574 -6.353 611 H TYR 77 H TYR 77 -8.522 -7.594 -9.732 612 HA TYR 77 HA TYR 77 -6.783 -5.375 -10.258 613 1HB TYR 77 2HB TYR 77 -7.712 -7.685 -11.968 614 2HB TYR 77 1HB TYR 77 -6.577 -6.463 -12.530 615 HD1 TYR 77 1HD TYR 77 -4.545 -6.074 -10.799 616 HD2 TYR 77 2HD TYR 77 -6.809 -9.656 -11.193 617 HE1 TYR 77 1HE TYR 77 -2.679 -7.352 -9.836 618 HE2 TYR 77 2HE TYR 77 -4.948 -10.944 -10.227 619 HH TYR 77 HH TYR 77 -1.826 -9.600 -9.767 620 H LEU 78 H LEU 78 -7.011 -3.780 -11.863 621 HA LEU 78 HA LEU 78 -9.311 -3.533 -13.499 622 1HB LEU 78 2HB LEU 78 -10.388 -3.034 -11.367 623 2HB LEU 78 1HB LEU 78 -9.214 -1.775 -11.051 624 HG LEU 78 HG LEU 78 -10.061 -0.444 -12.883 625 1HD1 LEU 78 1HD1 LEU 78 -12.416 -1.596 -13.709 626 2HD1 LEU 78 2HD1 LEU 78 -11.302 -2.962 -13.653 627 3HD1 LEU 78 3HD1 LEU 78 -10.912 -1.545 -14.627 628 1HD2 LEU 78 1HD2 LEU 78 -11.315 0.247 -11.144 629 2HD2 LEU 78 2HD2 LEU 78 -11.822 -1.388 -10.721 630 3HD2 LEU 78 3HD2 LEU 78 -12.622 -0.531 -12.039 631 H GLY 79 H GLY 79 -9.039 -2.021 -15.071 632 1HA GLY 79 2HA GLY 79 -7.924 -0.532 -16.413 633 2HA GLY 79 1HA GLY 79 -7.575 0.338 -14.926 634 H GLN 80 H GLN 80 -6.511 -2.883 -15.926 635 HA GLN 80 HA GLN 80 -4.443 -3.807 -16.062 636 1HB GLN 80 2HB GLN 80 -3.888 -1.077 -17.218 637 2HB GLN 80 1HB GLN 80 -2.695 -2.368 -17.202 638 1HG GLN 80 2HG GLN 80 -3.763 -2.259 -19.354 639 2HG GLN 80 1HG GLN 80 -4.199 -3.760 -18.545 640 1HE2 GLN 80 1HE2 GLN 80 -5.341 -1.135 -20.228 641 2HE2 GLN 80 2HE2 GLN 80 -7.021 -1.278 -19.851 642 H VAL 81 H VAL 81 -5.167 -2.647 -13.564 643 HA VAL 81 HA VAL 81 -2.556 -2.507 -12.355 644 HB VAL 81 HB VAL 81 -2.957 -0.384 -11.159 645 1HG1 VAL 81 1HG1 VAL 81 -3.088 0.080 -14.130 646 2HG1 VAL 81 2HG1 VAL 81 -1.652 -0.537 -13.313 647 3HG1 VAL 81 3HG1 VAL 81 -2.279 1.062 -12.909 648 1HG2 VAL 81 1HG2 VAL 81 -5.249 0.010 -13.080 649 2HG2 VAL 81 2HG2 VAL 81 -4.697 1.138 -11.842 650 3HG2 VAL 81 3HG2 VAL 81 -5.426 -0.398 -11.374 651 H ALA 82 H ALA 82 -2.594 -3.338 -10.345 652 HA ALA 82 HA ALA 82 -4.985 -4.546 -9.389 653 1HB ALA 82 1HB ALA 82 -3.276 -4.760 -7.297 654 2HB ALA 82 2HB ALA 82 -2.149 -4.500 -8.628 655 3HB ALA 82 3HB ALA 82 -3.290 -5.844 -8.689 656 H ILE 83 H ILE 83 -6.433 -3.863 -7.943 657 HA ILE 83 HA ILE 83 -5.865 -1.351 -6.510 658 HB ILE 83 HB ILE 83 -8.547 -2.379 -7.454 659 1HG1 ILE 83 2HG1 ILE 83 -6.848 -0.060 -8.399 660 2HG1 ILE 83 1HG1 ILE 83 -7.178 -1.539 -9.294 661 1HG2 ILE 83 1HG2 ILE 83 -7.769 0.071 -5.891 662 2HG2 ILE 83 2HG2 ILE 83 -8.904 -1.197 -5.433 663 3HG2 ILE 83 3HG2 ILE 83 -9.308 -0.081 -6.737 664 1HD1 ILE 83 1HD1 ILE 83 -8.619 -0.004 -10.240 665 2HD1 ILE 83 2HD1 ILE 83 -9.000 0.747 -8.690 666 3HD1 ILE 83 3HD1 ILE 83 -9.647 -0.846 -9.082 667 H LEU 84 H LEU 84 -6.124 -1.316 -4.345 668 HA LEU 84 HA LEU 84 -7.341 -3.669 -3.064 669 1HB LEU 84 2HB LEU 84 -4.903 -3.844 -2.973 670 2HB LEU 84 1HB LEU 84 -4.805 -2.258 -2.235 671 HG LEU 84 HG LEU 84 -5.977 -3.103 -0.249 672 1HD1 LEU 84 1HD1 LEU 84 -5.673 -5.920 -0.808 673 2HD1 LEU 84 2HD1 LEU 84 -6.791 -5.159 -1.936 674 3HD1 LEU 84 3HD1 LEU 84 -7.072 -5.036 -0.199 675 1HD2 LEU 84 1HD2 LEU 84 -3.402 -4.158 -1.215 676 2HD2 LEU 84 2HD2 LEU 84 -4.102 -4.994 0.171 677 3HD2 LEU 84 3HD2 LEU 84 -3.786 -3.262 0.255 678 H LEU 85 H LEU 85 -8.504 -3.310 -1.197 679 HA LEU 85 HA LEU 85 -8.554 -0.676 0.011 680 1HB LEU 85 2HB LEU 85 -10.089 -0.431 -1.886 681 2HB LEU 85 1HB LEU 85 -11.005 -1.820 -1.332 682 HG LEU 85 HG LEU 85 -11.613 -0.587 0.719 683 1HD1 LEU 85 1HD1 LEU 85 -11.163 1.805 0.870 684 2HD1 LEU 85 2HD1 LEU 85 -10.195 1.723 -0.602 685 3HD1 LEU 85 3HD1 LEU 85 -9.666 0.875 0.849 686 1HD2 LEU 85 1HD2 LEU 85 -12.253 0.903 -1.824 687 2HD2 LEU 85 2HD2 LEU 85 -13.180 0.945 -0.325 688 3HD2 LEU 85 3HD2 LEU 85 -13.075 -0.551 -1.254 689 H PHE 86 H PHE 86 -9.390 -0.660 2.080 690 HA PHE 86 HA PHE 86 -11.017 -2.581 3.253 691 1HB PHE 86 2HB PHE 86 -9.377 -3.879 4.591 692 2HB PHE 86 1HB PHE 86 -9.265 -4.201 2.869 693 HD1 PHE 86 1HD PHE 86 -7.720 -2.082 5.519 694 HD2 PHE 86 2HD PHE 86 -7.210 -4.180 1.852 695 HE1 PHE 86 1HE PHE 86 -5.305 -1.611 5.586 696 HE2 PHE 86 2HE PHE 86 -4.797 -3.713 1.917 697 HZ PHE 86 HZ PHE 86 -3.843 -2.427 3.783 698 H LYS 87 H LYS 87 -11.709 -1.844 5.174 699 HA LYS 87 HA LYS 87 -10.338 0.495 6.261 700 1HB LYS 87 2HB LYS 87 -12.417 0.978 7.437 701 2HB LYS 87 1HB LYS 87 -12.703 0.772 5.716 702 1HG LYS 87 2HG LYS 87 -13.627 -1.399 6.053 703 2HG LYS 87 1HG LYS 87 -13.151 -1.394 7.752 704 1HD LYS 87 2HD LYS 87 -15.108 0.529 6.501 705 2HD LYS 87 1HD LYS 87 -15.557 -0.916 7.410 706 1HE LYS 87 2HE LYS 87 -14.001 1.446 8.459 707 2HE LYS 87 1HE LYS 87 -15.687 1.069 8.814 708 1HZ LYS 87 1HZ LYS 87 -14.757 -1.134 9.681 709 2HZ LYS 87 2HZ LYS 87 -14.531 0.248 10.631 710 3HZ LYS 87 3HZ LYS 87 -13.256 -0.353 9.698 711 H SER 88 H SER 88 -10.581 0.782 8.685 712 HA SER 88 HA SER 88 -10.371 -1.705 10.191 713 1HB SER 88 2HB SER 88 -8.166 0.372 10.157 714 2HB SER 88 1HB SER 88 -8.221 -1.051 11.197 715 HG SER 88 HG SER 88 -8.520 -2.014 8.821 716 H GLY 89 H GLY 89 -11.232 -1.512 12.165 717 1HA GLY 89 2HA GLY 89 -11.127 0.765 13.805 718 2HA GLY 89 1HA GLY 89 -12.649 0.790 12.926 719 1H MET 1 1HT MET 1 29.593 5.803 14.627 720 2H MET 1 2HT MET 1 30.054 5.061 13.150 721 3H MET 1 3HT MET 1 28.809 4.371 14.108 722 HA MET 1 HA MET 1 27.482 6.344 13.776 723 1HB MET 1 2HB MET 1 28.198 7.942 12.052 724 2HB MET 1 1HB MET 1 29.328 7.895 13.395 725 1HG MET 1 2HG MET 1 30.832 6.489 12.090 726 2HG MET 1 1HG MET 1 29.692 6.515 10.745 727 1HE MET 1 1HE MET 1 30.546 9.492 13.160 728 2HE MET 1 2HE MET 1 31.871 10.274 12.299 729 3HE MET 1 3HE MET 1 32.097 8.669 12.993 730 H CYS 2 H CYS 2 29.433 4.604 11.371 731 HA CYS 2 HA CYS 2 27.514 4.473 9.345 732 1HB CYS 2 2HB CYS 2 29.868 3.892 8.987 733 2HB CYS 2 1HB CYS 2 29.689 2.481 10.023 734 HG CYS 2 HG CYS 2 27.772 2.263 7.737 735 H ASP 3 H ASP 3 25.766 3.234 8.992 736 HA ASP 3 HA ASP 3 25.287 0.690 10.044 737 1HB ASP 3 2HB ASP 3 23.547 1.195 11.723 738 2HB ASP 3 1HB ASP 3 25.127 1.799 12.212 739 H ARG 4 H ARG 4 23.578 -0.245 9.046 740 HA ARG 4 HA ARG 4 22.096 -0.510 7.330 741 1HB ARG 4 2HB ARG 4 19.960 0.670 7.695 742 2HB ARG 4 1HB ARG 4 20.605 -0.027 9.166 743 1HG ARG 4 2HG ARG 4 19.714 2.095 9.712 744 2HG ARG 4 1HG ARG 4 21.466 2.237 9.775 745 1HD ARG 4 2HD ARG 4 21.497 3.338 7.627 746 2HD ARG 4 1HD ARG 4 19.771 3.057 7.419 747 HE ARG 4 HE ARG 4 20.163 4.508 9.780 748 1HH1 ARG 4 1HH1 ARG 4 20.488 4.916 6.329 749 2HH1 ARG 4 2HH1 ARG 4 20.206 6.624 6.378 750 1HH2 ARG 4 1HH2 ARG 4 19.793 6.755 9.848 751 2HH2 ARG 4 2HH2 ARG 4 19.812 7.668 8.375 752 H LYS 5 H LYS 5 20.364 1.328 6.058 753 HA LYS 5 HA LYS 5 21.919 3.470 4.937 754 1HB LYS 5 2HB LYS 5 21.249 1.042 3.258 755 2HB LYS 5 1HB LYS 5 21.781 2.576 2.595 756 1HG LYS 5 2HG LYS 5 23.368 0.811 4.445 757 2HG LYS 5 1HG LYS 5 23.597 0.968 2.707 758 1HD LYS 5 2HD LYS 5 23.858 3.255 4.656 759 2HD LYS 5 1HD LYS 5 25.214 2.284 4.083 760 1HE LYS 5 2HE LYS 5 25.177 4.230 2.742 761 2HE LYS 5 1HE LYS 5 24.529 2.933 1.742 762 1HZ LYS 5 1HZ LYS 5 23.360 5.353 2.202 763 2HZ LYS 5 2HZ LYS 5 22.486 4.304 3.199 764 3HZ LYS 5 3HZ LYS 5 22.601 3.994 1.539 765 H ALA 6 H ALA 6 19.986 2.714 2.440 766 HA ALA 6 HA ALA 6 17.939 3.367 1.715 767 1HB ALA 6 1HB ALA 6 17.289 1.875 3.708 768 2HB ALA 6 2HB ALA 6 16.078 2.983 3.061 769 3HB ALA 6 3HB ALA 6 16.946 3.391 4.538 770 H VAL 7 H VAL 7 17.144 5.319 1.129 771 HA VAL 7 HA VAL 7 18.007 7.620 2.697 772 HB VAL 7 HB VAL 7 17.285 8.932 0.742 773 1HG1 VAL 7 1HG1 VAL 7 19.197 6.746 -0.037 774 2HG1 VAL 7 2HG1 VAL 7 19.615 8.066 1.058 775 3HG1 VAL 7 3HG1 VAL 7 19.173 8.411 -0.616 776 1HG2 VAL 7 1HG2 VAL 7 15.592 7.312 -0.069 777 2HG2 VAL 7 2HG2 VAL 7 16.908 6.271 -0.609 778 3HG2 VAL 7 3HG2 VAL 7 16.693 7.867 -1.329 779 H ILE 8 H ILE 8 16.655 9.002 3.672 780 HA ILE 8 HA ILE 8 13.910 8.182 4.031 781 HB ILE 8 HB ILE 8 15.528 10.432 5.219 782 1HG1 ILE 8 2HG1 ILE 8 15.195 9.157 7.305 783 2HG1 ILE 8 1HG1 ILE 8 14.290 7.941 6.409 784 1HG2 ILE 8 1HG2 ILE 8 12.644 9.768 5.791 785 2HG2 ILE 8 2HG2 ILE 8 13.227 11.211 4.961 786 3HG2 ILE 8 3HG2 ILE 8 13.629 10.946 6.656 787 1HD1 ILE 8 1HD1 ILE 8 16.681 7.386 6.945 788 2HD1 ILE 8 2HD1 ILE 8 17.144 8.633 5.785 789 3HD1 ILE 8 3HD1 ILE 8 16.215 7.232 5.251 790 H LYS 9 H LYS 9 12.151 9.027 3.110 791 HA LYS 9 HA LYS 9 12.537 11.289 1.270 792 1HB LYS 9 2HB LYS 9 11.850 9.099 0.275 793 2HB LYS 9 1HB LYS 9 10.357 9.198 1.199 794 1HG LYS 9 2HG LYS 9 9.997 9.915 -1.083 795 2HG LYS 9 1HG LYS 9 9.776 11.269 0.029 796 1HD LYS 9 2HD LYS 9 12.029 12.066 -0.484 797 2HD LYS 9 1HD LYS 9 12.266 10.703 -1.582 798 1HE LYS 9 2HE LYS 9 10.189 12.872 -1.874 799 2HE LYS 9 1HE LYS 9 11.685 12.746 -2.797 800 1HZ LYS 9 1HZ LYS 9 10.630 10.353 -3.255 801 2HZ LYS 9 2HZ LYS 9 10.339 11.695 -4.242 802 3HZ LYS 9 3HZ LYS 9 9.209 11.251 -3.067 803 H ASN 10 H ASN 10 10.531 10.007 3.851 804 HA ASN 10 HA ASN 10 9.557 12.663 4.437 805 1HB ASN 10 2HB ASN 10 7.616 10.467 3.683 806 2HB ASN 10 1HB ASN 10 7.169 12.031 4.359 807 1HD2 ASN 10 1HD2 ASN 10 7.346 10.339 1.590 808 2HD2 ASN 10 2HD2 ASN 10 7.510 11.629 0.453 809 H ALA 11 H ALA 11 11.187 11.372 6.041 810 HA ALA 11 HA ALA 11 10.178 9.509 7.849 811 1HB ALA 11 1HB ALA 11 12.326 11.586 8.052 812 2HB ALA 11 2HB ALA 11 12.478 9.833 7.944 813 3HB ALA 11 3HB ALA 11 11.905 10.577 9.435 814 H ASP 12 H ASP 12 9.128 9.643 9.802 815 HA ASP 12 HA ASP 12 8.530 12.021 11.180 816 1HB ASP 12 2HB ASP 12 7.117 12.506 9.237 817 2HB ASP 12 1HB ASP 12 6.291 10.965 9.439 818 H MET 13 H MET 13 9.463 9.992 12.382 819 HA MET 13 HA MET 13 7.448 9.108 14.160 820 1HB MET 13 2HB MET 13 6.965 7.618 12.233 821 2HB MET 13 1HB MET 13 8.596 6.977 12.353 822 1HG MET 13 2HG MET 13 8.086 6.169 14.619 823 2HG MET 13 1HG MET 13 6.441 6.772 14.445 824 1HE MET 13 1HE MET 13 8.703 3.401 12.865 825 2HE MET 13 2HE MET 13 9.097 5.087 12.537 826 3HE MET 13 3HE MET 13 8.215 4.140 11.339 827 H SER 14 H SER 14 9.602 10.390 14.889 828 HA SER 14 HA SER 14 11.391 10.380 16.288 829 1HB SER 14 2HB SER 14 9.969 8.911 17.648 830 2HB SER 14 1HB SER 14 10.568 7.507 16.767 831 HG SER 14 HG SER 14 12.705 8.182 17.528 832 H GLU 15 H GLU 15 13.542 10.210 16.044 833 HA GLU 15 HA GLU 15 14.657 9.171 13.718 834 1HB GLU 15 2HB GLU 15 16.032 9.796 16.330 835 2HB GLU 15 1HB GLU 15 16.840 9.579 14.784 836 1HG GLU 15 2HG GLU 15 15.653 11.515 13.889 837 2HG GLU 15 1HG GLU 15 14.839 11.732 15.438 838 H GLU 16 H GLU 16 14.850 7.837 17.005 839 HA GLU 16 HA GLU 16 16.333 5.567 16.283 840 1HB GLU 16 2HB GLU 16 15.603 4.617 18.433 841 2HB GLU 16 1HB GLU 16 16.139 6.283 18.606 842 1HG GLU 16 2HG GLU 16 13.826 7.035 18.652 843 2HG GLU 16 1HG GLU 16 13.273 5.375 18.446 844 H MET 17 H MET 17 12.840 6.084 16.515 845 HA MET 17 HA MET 17 12.119 3.419 15.962 846 1HB MET 17 2HB MET 17 10.600 5.981 15.557 847 2HB MET 17 1HB MET 17 9.892 4.386 15.374 848 1HG MET 17 2HG MET 17 10.354 3.903 17.710 849 2HG MET 17 1HG MET 17 11.114 5.483 17.898 850 1HE MET 17 1HE MET 17 7.681 3.591 17.246 851 2HE MET 17 2HE MET 17 7.963 4.568 15.805 852 3HE MET 17 3HE MET 17 6.638 4.971 16.898 853 H GLN 18 H GLN 18 12.329 6.271 13.817 854 HA GLN 18 HA GLN 18 11.677 4.827 11.469 855 1HB GLN 18 2HB GLN 18 12.511 6.746 10.239 856 2HB GLN 18 1HB GLN 18 11.546 7.281 11.608 857 1HG GLN 18 2HG GLN 18 13.639 7.690 12.860 858 2HG GLN 18 1HG GLN 18 14.545 7.262 11.411 859 1HE2 GLN 18 1HE2 GLN 18 12.981 9.711 13.095 860 2HE2 GLN 18 2HE2 GLN 18 13.041 10.930 11.885 861 H GLN 19 H GLN 19 14.714 5.491 13.109 862 HA GLN 19 HA GLN 19 16.420 4.539 11.071 863 1HB GLN 19 2HB GLN 19 16.736 4.966 14.024 864 2HB GLN 19 1HB GLN 19 18.020 4.209 13.086 865 1HG GLN 19 2HG GLN 19 18.170 6.175 11.674 866 2HG GLN 19 1HG GLN 19 16.839 6.926 12.549 867 1HE2 GLN 19 1HE2 GLN 19 20.068 6.936 12.222 868 2HE2 GLN 19 2HE2 GLN 19 20.537 7.491 13.790 869 H ASP 20 H ASP 20 14.838 2.970 13.801 870 HA ASP 20 HA ASP 20 16.107 0.456 13.533 871 1HB ASP 20 2HB ASP 20 14.896 1.112 15.573 872 2HB ASP 20 1HB ASP 20 13.381 1.111 14.676 873 H SER 21 H SER 21 13.187 1.823 12.111 874 HA SER 21 HA SER 21 12.326 -0.571 10.871 875 1HB SER 21 2HB SER 21 11.812 2.307 10.062 876 2HB SER 21 1HB SER 21 10.934 0.905 9.448 877 HG SER 21 HG SER 21 10.933 1.995 12.052 878 H VAL 22 H VAL 22 14.402 2.087 9.846 879 HA VAL 22 HA VAL 22 14.807 1.214 7.193 880 HB VAL 22 HB VAL 22 16.657 2.844 8.943 881 1HG1 VAL 22 1HG1 VAL 22 18.008 2.249 7.180 882 2HG1 VAL 22 2HG1 VAL 22 17.276 3.727 6.561 883 3HG1 VAL 22 3HG1 VAL 22 16.666 2.156 6.041 884 1HG2 VAL 22 1HG2 VAL 22 14.141 3.537 8.258 885 2HG2 VAL 22 2HG2 VAL 22 15.029 4.145 6.861 886 3HG2 VAL 22 3HG2 VAL 22 15.452 4.694 8.482 887 H GLU 23 H GLU 23 16.654 0.724 10.172 888 HA GLU 23 HA GLU 23 18.701 -0.839 9.042 889 1HB GLU 23 2HB GLU 23 18.919 0.225 11.234 890 2HB GLU 23 1HB GLU 23 17.636 -0.797 11.870 891 1HG GLU 23 2HG GLU 23 19.016 -2.768 11.492 892 2HG GLU 23 1HG GLU 23 20.301 -1.746 10.853 893 H CYS 24 H CYS 24 15.690 -1.704 10.686 894 HA CYS 24 HA CYS 24 16.012 -4.497 10.520 895 1HB CYS 24 2HB CYS 24 13.514 -2.807 10.710 896 2HB CYS 24 1HB CYS 24 13.513 -4.565 10.819 897 HG CYS 24 HG CYS 24 14.994 -2.809 12.921 898 H ALA 25 H ALA 25 14.951 -2.140 8.189 899 HA ALA 25 HA ALA 25 13.685 -3.968 6.409 900 1HB ALA 25 1HB ALA 25 14.211 -1.983 4.765 901 2HB ALA 25 2HB ALA 25 14.577 -1.128 6.262 902 3HB ALA 25 3HB ALA 25 12.975 -1.821 6.012 903 H THR 26 H THR 26 16.894 -2.529 6.680 904 HA THR 26 HA THR 26 17.982 -3.550 4.328 905 HB THR 26 HB THR 26 19.364 -2.944 6.945 906 HG1 THR 26 1HG THR 26 18.448 -1.095 6.217 907 1HG2 THR 26 1HG2 THR 26 21.409 -2.879 5.877 908 2HG2 THR 26 2HG2 THR 26 20.683 -2.801 4.271 909 3HG2 THR 26 3HG2 THR 26 20.651 -4.312 5.181 910 H GLN 27 H GLN 27 17.933 -4.856 7.605 911 HA GLN 27 HA GLN 27 19.400 -7.192 7.135 912 1HB GLN 27 2HB GLN 27 18.834 -6.329 9.380 913 2HB GLN 27 1HB GLN 27 17.144 -6.722 9.097 914 1HG GLN 27 2HG GLN 27 17.791 -9.101 8.875 915 2HG GLN 27 1HG GLN 27 19.436 -8.651 9.320 916 1HE2 GLN 27 1HE2 GLN 27 19.911 -8.905 11.379 917 2HE2 GLN 27 2HE2 GLN 27 18.800 -8.858 12.699 918 H ALA 28 H ALA 28 15.926 -6.546 7.015 919 HA ALA 28 HA ALA 28 14.977 -9.081 6.435 920 1HB ALA 28 1HB ALA 28 12.983 -8.067 5.974 921 2HB ALA 28 2HB ALA 28 13.737 -6.756 5.067 922 3HB ALA 28 3HB ALA 28 13.792 -6.753 6.826 923 H LEU 29 H LEU 29 16.444 -6.692 4.329 924 HA LEU 29 HA LEU 29 15.765 -7.952 1.889 925 1HB LEU 29 2HB LEU 29 17.877 -5.954 2.631 926 2HB LEU 29 1HB LEU 29 17.711 -6.566 0.994 927 HG LEU 29 HG LEU 29 15.449 -5.244 2.464 928 1HD1 LEU 29 1HD1 LEU 29 16.081 -3.308 0.855 929 2HD1 LEU 29 2HD1 LEU 29 17.679 -4.056 0.860 930 3HD1 LEU 29 3HD1 LEU 29 16.966 -3.490 2.370 931 1HD2 LEU 29 1HD2 LEU 29 14.339 -5.210 0.434 932 2HD2 LEU 29 2HD2 LEU 29 15.159 -6.772 0.395 933 3HD2 LEU 29 3HD2 LEU 29 15.825 -5.403 -0.496 934 H GLU 30 H GLU 30 18.785 -7.911 3.743 935 HA GLU 30 HA GLU 30 20.051 -9.836 2.071 936 1HB GLU 30 2HB GLU 30 21.744 -9.950 3.924 937 2HB GLU 30 1HB GLU 30 21.463 -8.342 3.271 938 1HG GLU 30 2HG GLU 30 20.059 -7.794 5.172 939 2HG GLU 30 1HG GLU 30 20.272 -9.417 5.811 940 H LYS 31 H LYS 31 17.948 -10.019 4.815 941 HA LYS 31 HA LYS 31 18.563 -12.787 5.376 942 1HB LYS 31 2HB LYS 31 16.777 -10.722 6.571 943 2HB LYS 31 1HB LYS 31 16.402 -12.413 6.858 944 1HG LYS 31 2HG LYS 31 17.778 -11.325 8.621 945 2HG LYS 31 1HG LYS 31 18.487 -12.784 7.929 946 1HD LYS 31 2HD LYS 31 19.796 -11.253 6.397 947 2HD LYS 31 1HD LYS 31 19.242 -9.918 7.407 948 1HE LYS 31 2HE LYS 31 20.832 -12.305 8.340 949 2HE LYS 31 1HE LYS 31 21.466 -10.683 8.072 950 1HZ LYS 31 1HZ LYS 31 20.730 -10.012 10.044 951 2HZ LYS 31 2HZ LYS 31 20.494 -11.643 10.420 952 3HZ LYS 31 3HZ LYS 31 19.207 -10.716 9.836 953 H TYR 32 H TYR 32 15.999 -10.947 3.793 954 HA TYR 32 HA TYR 32 14.838 -13.518 2.939 955 1HB TYR 32 2HB TYR 32 13.379 -10.910 3.396 956 2HB TYR 32 1HB TYR 32 12.649 -12.411 2.838 957 HD1 TYR 32 1HD TYR 32 14.806 -11.254 5.674 958 HD2 TYR 32 2HD TYR 32 11.516 -13.641 4.417 959 HE1 TYR 32 1HE TYR 32 14.406 -11.921 8.006 960 HE2 TYR 32 2HE TYR 32 11.105 -14.313 6.746 961 HH TYR 32 HH TYR 32 11.580 -13.394 9.040 962 H ASN 33 H ASN 33 15.272 -10.118 2.006 963 HA ASN 33 HA ASN 33 15.605 -9.137 -0.020 964 1HB ASN 33 2HB ASN 33 17.304 -10.998 -0.249 965 2HB ASN 33 1HB ASN 33 16.076 -11.919 -1.110 966 1HD2 ASN 33 1HD2 ASN 33 18.677 -10.003 -1.507 967 2HD2 ASN 33 2HD2 ASN 33 18.360 -9.381 -3.087 968 H ILE 34 H ILE 34 13.022 -9.560 0.728 969 HA ILE 34 HA ILE 34 11.692 -9.717 -1.843 970 HB ILE 34 HB ILE 34 10.848 -11.497 0.448 971 1HG1 ILE 34 2HG1 ILE 34 11.944 -12.170 -2.293 972 2HG1 ILE 34 1HG1 ILE 34 12.775 -12.397 -0.758 973 1HG2 ILE 34 1HG2 ILE 34 9.185 -12.336 -1.274 974 2HG2 ILE 34 2HG2 ILE 34 9.576 -10.893 -2.209 975 3HG2 ILE 34 3HG2 ILE 34 8.873 -10.737 -0.598 976 1HD1 ILE 34 1HD1 ILE 34 11.603 -14.261 -0.243 977 2HD1 ILE 34 2HD1 ILE 34 11.505 -14.360 -2.000 978 3HD1 ILE 34 3HD1 ILE 34 10.148 -13.716 -1.077 979 H GLU 35 H GLU 35 10.375 -8.040 -1.954 980 HA GLU 35 HA GLU 35 9.911 -6.164 -0.031 981 1HB GLU 35 2HB GLU 35 7.961 -5.456 -1.397 982 2HB GLU 35 1HB GLU 35 9.412 -5.746 -2.348 983 1HG GLU 35 2HG GLU 35 8.527 -7.987 -2.922 984 2HG GLU 35 1HG GLU 35 7.040 -7.575 -2.071 985 H LYS 36 H LYS 36 7.759 -8.874 -0.823 986 HA LYS 36 HA LYS 36 5.735 -8.256 1.019 987 1HB LYS 36 2HB LYS 36 5.451 -9.834 -0.837 988 2HB LYS 36 1HB LYS 36 6.559 -10.954 -0.060 989 1HG LYS 36 2HG LYS 36 4.951 -10.990 1.890 990 2HG LYS 36 1HG LYS 36 3.814 -10.140 0.840 991 1HD LYS 36 2HD LYS 36 3.356 -12.501 0.745 992 2HD LYS 36 1HD LYS 36 4.027 -11.983 -0.801 993 1HE LYS 36 2HE LYS 36 6.213 -12.838 -0.154 994 2HE LYS 36 1HE LYS 36 5.575 -13.315 1.418 995 1HZ LYS 36 1HZ LYS 36 5.219 -14.566 -1.192 996 2HZ LYS 36 2HZ LYS 36 3.890 -14.600 -0.147 997 3HZ LYS 36 3HZ LYS 36 5.363 -15.274 0.338 998 H ASP 37 H ASP 37 8.302 -10.715 1.315 999 HA ASP 37 HA ASP 37 7.731 -11.530 3.905 1000 1HB ASP 37 2HB ASP 37 10.410 -11.468 2.508 1001 2HB ASP 37 1HB ASP 37 10.048 -12.391 3.965 1002 H ILE 38 H ILE 38 10.048 -9.027 2.874 1003 HA ILE 38 HA ILE 38 11.220 -8.391 5.262 1004 HB ILE 38 HB ILE 38 10.352 -6.488 3.085 1005 1HG1 ILE 38 2HG1 ILE 38 13.033 -7.775 3.635 1006 2HG1 ILE 38 1HG1 ILE 38 11.897 -8.312 2.408 1007 1HG2 ILE 38 1HG2 ILE 38 11.688 -6.004 5.638 1008 2HG2 ILE 38 2HG2 ILE 38 10.880 -4.879 4.548 1009 3HG2 ILE 38 3HG2 ILE 38 12.551 -5.356 4.242 1010 1HD1 ILE 38 1HD1 ILE 38 12.091 -5.864 1.554 1011 2HD1 ILE 38 2HD1 ILE 38 13.351 -7.039 1.180 1012 3HD1 ILE 38 3HD1 ILE 38 13.593 -5.871 2.479 1013 H ALA 39 H ALA 39 8.221 -6.946 4.011 1014 HA ALA 39 HA ALA 39 7.689 -5.345 6.258 1015 1HB ALA 39 1HB ALA 39 6.662 -4.919 4.108 1016 2HB ALA 39 2HB ALA 39 5.419 -5.160 5.336 1017 3HB ALA 39 3HB ALA 39 5.792 -6.449 4.193 1018 H ALA 40 H ALA 40 7.142 -8.722 5.666 1019 HA ALA 40 HA ALA 40 5.053 -9.100 7.548 1020 1HB ALA 40 1HB ALA 40 5.144 -11.304 6.994 1021 2HB ALA 40 2HB ALA 40 6.906 -11.330 6.918 1022 3HB ALA 40 3HB ALA 40 5.977 -10.621 5.598 1023 H HIS 41 H HIS 41 8.502 -10.020 7.767 1024 HA HIS 41 HA HIS 41 8.344 -10.731 10.489 1025 1HB HIS 41 2HB HIS 41 10.521 -11.340 10.283 1026 2HB HIS 41 1HB HIS 41 10.169 -11.164 8.569 1027 HD1 HIS 41 1HD HIS 41 11.578 -9.068 11.406 1028 HD2 HIS 41 2HD HIS 41 11.875 -9.486 7.284 1029 HE1 HIS 41 1HE HIS 41 13.425 -7.516 10.707 1030 HE2 HIS 41 2HE HIS 41 13.740 -7.975 8.258 1031 H ILE 42 H ILE 42 9.505 -7.753 8.921 1032 HA ILE 42 HA ILE 42 10.320 -6.456 11.270 1033 HB ILE 42 HB ILE 42 9.346 -5.238 8.681 1034 1HG1 ILE 42 2HG1 ILE 42 12.127 -5.806 9.716 1035 2HG1 ILE 42 1HG1 ILE 42 11.303 -6.692 8.437 1036 1HG2 ILE 42 1HG2 ILE 42 9.201 -3.625 10.501 1037 2HG2 ILE 42 2HG2 ILE 42 10.518 -3.212 9.403 1038 3HG2 ILE 42 3HG2 ILE 42 10.870 -3.972 10.955 1039 1HD1 ILE 42 1HD1 ILE 42 12.604 -5.292 7.210 1040 2HD1 ILE 42 2HD1 ILE 42 12.522 -3.989 8.393 1041 3HD1 ILE 42 3HD1 ILE 42 11.144 -4.316 7.343 1042 H LYS 43 H LYS 43 7.179 -6.463 9.606 1043 HA LYS 43 HA LYS 43 5.936 -4.522 11.189 1044 1HB LYS 43 2HB LYS 43 4.883 -5.212 9.160 1045 2HB LYS 43 1HB LYS 43 4.802 -6.884 9.695 1046 1HG LYS 43 2HG LYS 43 3.165 -6.316 11.368 1047 2HG LYS 43 1HG LYS 43 3.308 -4.602 10.974 1048 1HD LYS 43 2HD LYS 43 2.371 -4.957 8.801 1049 2HD LYS 43 1HD LYS 43 2.425 -6.707 9.012 1050 1HE LYS 43 2HE LYS 43 0.779 -6.580 10.783 1051 2HE LYS 43 1HE LYS 43 0.768 -4.821 10.680 1052 1HZ LYS 43 1HZ LYS 43 -0.998 -5.242 9.364 1053 2HZ LYS 43 2HZ LYS 43 -0.472 -6.791 8.934 1054 3HZ LYS 43 3HZ LYS 43 0.189 -5.432 8.172 1055 H LYS 44 H LYS 44 5.879 -8.079 11.568 1056 HA LYS 44 HA LYS 44 4.295 -8.149 13.850 1057 1HB LYS 44 2HB LYS 44 5.355 -10.363 14.303 1058 2HB LYS 44 1HB LYS 44 4.741 -10.176 12.667 1059 1HG LYS 44 2HG LYS 44 6.965 -9.812 11.823 1060 2HG LYS 44 1HG LYS 44 7.625 -9.838 13.459 1061 1HD LYS 44 2HD LYS 44 7.977 -11.968 12.282 1062 2HD LYS 44 1HD LYS 44 6.968 -12.160 13.716 1063 1HE LYS 44 2HE LYS 44 6.093 -13.439 11.823 1064 2HE LYS 44 1HE LYS 44 4.969 -12.180 12.328 1065 1HZ LYS 44 1HZ LYS 44 5.205 -12.324 9.909 1066 2HZ LYS 44 2HZ LYS 44 6.850 -11.953 10.043 1067 3HZ LYS 44 3HZ LYS 44 5.686 -10.814 10.500 1068 H GLU 45 H GLU 45 7.838 -7.877 13.631 1069 HA GLU 45 HA GLU 45 8.367 -8.054 16.371 1070 1HB GLU 45 2HB GLU 45 9.852 -6.554 14.211 1071 2HB GLU 45 1HB GLU 45 10.471 -6.810 15.839 1072 1HG GLU 45 2HG GLU 45 10.354 -9.242 15.469 1073 2HG GLU 45 1HG GLU 45 9.816 -8.943 13.817 1074 H PHE 46 H PHE 46 7.717 -5.181 14.378 1075 HA PHE 46 HA PHE 46 8.009 -3.328 16.492 1076 1HB PHE 46 2HB PHE 46 6.695 -3.172 13.795 1077 2HB PHE 46 1HB PHE 46 6.643 -1.821 14.922 1078 HD1 PHE 46 1HD PHE 46 9.298 -4.220 13.828 1079 HD2 PHE 46 2HD PHE 46 8.110 -0.171 14.351 1080 HE1 PHE 46 1HE PHE 46 11.505 -3.477 13.039 1081 HE2 PHE 46 2HE PHE 46 10.316 0.583 13.565 1082 HZ PHE 46 HZ PHE 46 12.018 -1.071 12.907 1083 H ASP 47 H ASP 47 5.195 -5.019 15.183 1084 HA ASP 47 HA ASP 47 3.203 -3.671 16.592 1085 1HB ASP 47 2HB ASP 47 3.335 -6.566 15.729 1086 2HB ASP 47 1HB ASP 47 1.884 -5.794 16.358 1087 H LYS 48 H LYS 48 5.162 -6.450 17.528 1088 HA LYS 48 HA LYS 48 3.886 -6.900 20.013 1089 1HB LYS 48 2HB LYS 48 6.027 -8.047 18.500 1090 2HB LYS 48 1HB LYS 48 6.551 -7.828 20.166 1091 1HG LYS 48 2HG LYS 48 4.095 -9.299 19.245 1092 2HG LYS 48 1HG LYS 48 5.579 -10.013 19.882 1093 1HD LYS 48 2HD LYS 48 5.206 -9.077 22.034 1094 2HD LYS 48 1HD LYS 48 3.895 -8.060 21.438 1095 1HE LYS 48 2HE LYS 48 3.901 -11.060 21.661 1096 2HE LYS 48 1HE LYS 48 2.983 -9.924 22.647 1097 1HZ LYS 48 1HZ LYS 48 2.610 -10.531 19.773 1098 2HZ LYS 48 2HZ LYS 48 1.886 -9.204 20.534 1099 3HZ LYS 48 3HZ LYS 48 1.509 -10.776 21.034 1100 H LYS 49 H LYS 49 6.804 -5.099 19.138 1101 HA LYS 49 HA LYS 49 7.415 -4.462 21.862 1102 1HB LYS 49 2HB LYS 49 8.546 -3.301 19.318 1103 2HB LYS 49 1HB LYS 49 9.220 -3.102 20.930 1104 1HG LYS 49 2HG LYS 49 9.600 -5.523 21.055 1105 2HG LYS 49 1HG LYS 49 8.963 -5.692 19.417 1106 1HD LYS 49 2HD LYS 49 10.750 -4.252 18.573 1107 2HD LYS 49 1HD LYS 49 11.380 -4.068 20.211 1108 1HE LYS 49 2HE LYS 49 11.174 -6.651 18.666 1109 2HE LYS 49 1HE LYS 49 12.650 -5.733 18.953 1110 1HZ LYS 49 1HZ LYS 49 11.471 -6.174 21.431 1111 2HZ LYS 49 2HZ LYS 49 12.897 -6.855 20.829 1112 3HZ LYS 49 3HZ LYS 49 11.423 -7.653 20.608 1113 H TYR 50 H TYR 50 6.896 -2.231 19.157 1114 HA TYR 50 HA TYR 50 6.215 -0.099 20.913 1115 1HB TYR 50 2HB TYR 50 6.041 -0.306 17.908 1116 2HB TYR 50 1HB TYR 50 5.799 1.177 18.825 1117 HD1 TYR 50 1HD TYR 50 7.718 1.629 16.963 1118 HD2 TYR 50 2HD TYR 50 8.246 -0.579 20.563 1119 HE1 TYR 50 1HE TYR 50 10.133 2.069 16.874 1120 HE2 TYR 50 2HE TYR 50 10.659 -0.144 20.482 1121 HH TYR 50 HH TYR 50 12.047 2.180 18.541 1122 H ASN 51 H ASN 51 4.362 -2.607 19.587 1123 HA ASN 51 HA ASN 51 2.166 -3.099 20.155 1124 1HB ASN 51 2HB ASN 51 2.090 -1.276 21.837 1125 2HB ASN 51 1HB ASN 51 1.734 -0.129 20.549 1126 1HD2 ASN 51 1HD2 ASN 51 0.393 -1.945 22.912 1127 2HD2 ASN 51 2HD2 ASN 51 -1.220 -2.068 22.305 1128 HA PRO 52 HA PRO 52 0.825 -2.717 15.986 1129 1HB PRO 52 2HB PRO 52 -1.860 -3.519 16.896 1130 2HB PRO 52 1HB PRO 52 -0.759 -4.342 15.786 1131 1HG PRO 52 2HG PRO 52 -1.235 -5.271 18.263 1132 2HG PRO 52 1HG PRO 52 0.350 -5.432 17.487 1133 1HD PRO 52 2HD PRO 52 -0.551 -3.490 19.574 1134 2HD PRO 52 1HD PRO 52 0.995 -4.346 19.422 1135 H THR 53 H THR 53 -1.664 -0.239 15.232 1136 HA THR 53 HA THR 53 -0.375 -2.794 14.560 1137 HB THR 53 HB THR 53 -2.834 -2.822 14.382 1138 HG1 THR 53 1HG THR 53 -1.615 -2.855 11.825 1139 1HG2 THR 53 1HG2 THR 53 -3.952 -1.580 12.605 1140 2HG2 THR 53 2HG2 THR 53 -2.459 -0.693 12.296 1141 3HG2 THR 53 3HG2 THR 53 -3.288 -0.513 13.842 1142 H TRP 54 H TRP 54 1.235 -2.733 13.134 1143 HA TRP 54 HA TRP 54 1.803 -0.197 11.820 1144 1HB TRP 54 2HB TRP 54 3.484 -2.678 12.148 1145 2HB TRP 54 1HB TRP 54 4.018 -1.201 11.348 1146 HD1 TRP 54 HD TRP 54 2.480 -2.055 14.816 1147 HE1 TRP 54 1HE TRP 54 3.741 -0.688 16.587 1148 HE3 TRP 54 3HE TRP 54 5.668 0.481 11.736 1149 HZ2 TRP 54 2HZ TRP 54 5.809 1.229 16.665 1150 HZ3 TRP 54 3HZ TRP 54 7.256 2.074 12.740 1151 HH2 TRP 54 HH TRP 54 7.322 2.441 15.154 1152 H HIS 55 H HIS 55 1.492 0.178 9.771 1153 HA HIS 55 HA HIS 55 0.757 -2.039 8.000 1154 1HB HIS 55 2HB HIS 55 0.522 0.909 7.394 1155 2HB HIS 55 1HB HIS 55 -0.341 -0.427 6.638 1156 HD1 HIS 55 1HD HIS 55 -1.702 -1.857 8.796 1157 HD2 HIS 55 2HD HIS 55 -1.207 2.264 8.961 1158 HE1 HIS 55 1HE HIS 55 -3.462 -1.030 10.388 1159 HE2 HIS 55 2HE HIS 55 -3.204 1.474 10.399 1160 H CYS 56 H CYS 56 1.936 -2.458 6.100 1161 HA CYS 56 HA CYS 56 4.174 -0.693 5.489 1162 1HB CYS 56 2HB CYS 56 5.064 -2.248 7.162 1163 2HB CYS 56 1HB CYS 56 4.576 -3.609 6.161 1164 HG CYS 56 HG CYS 56 6.733 -1.611 5.147 1165 H ILE 57 H ILE 57 5.060 -0.900 3.484 1166 HA ILE 57 HA ILE 57 4.105 -2.903 1.617 1167 HB ILE 57 HB ILE 57 3.611 0.043 1.133 1168 1HG1 ILE 57 2HG1 ILE 57 1.672 -2.247 1.533 1169 2HG1 ILE 57 1HG1 ILE 57 1.966 -0.930 2.665 1170 1HG2 ILE 57 1HG2 ILE 57 3.028 -2.340 -0.624 1171 2HG2 ILE 57 2HG2 ILE 57 4.295 -1.144 -0.890 1172 3HG2 ILE 57 3HG2 ILE 57 2.601 -0.664 -0.975 1173 1HD1 ILE 57 1HD1 ILE 57 0.421 -0.962 0.143 1174 2HD1 ILE 57 2HD1 ILE 57 1.279 0.523 0.560 1175 3HD1 ILE 57 3HD1 ILE 57 0.088 -0.151 1.674 1176 H VAL 58 H VAL 58 5.555 -3.195 -0.093 1177 HA VAL 58 HA VAL 58 7.711 -1.274 -0.442 1178 HB VAL 58 HB VAL 58 8.310 -4.142 0.288 1179 1HG1 VAL 58 1HG1 VAL 58 10.149 -1.807 -0.228 1180 2HG1 VAL 58 2HG1 VAL 58 9.909 -3.195 -1.290 1181 3HG1 VAL 58 3HG1 VAL 58 10.647 -3.415 0.296 1182 1HG2 VAL 58 1HG2 VAL 58 7.650 -3.105 2.294 1183 2HG2 VAL 58 2HG2 VAL 58 8.471 -1.600 1.882 1184 3HG2 VAL 58 3HG2 VAL 58 9.412 -3.032 2.294 1185 H GLY 59 H GLY 59 8.663 -1.337 -2.421 1186 1HA GLY 59 2HA GLY 59 8.705 -3.469 -4.214 1187 2HA GLY 59 1HA GLY 59 7.240 -2.552 -4.540 1188 H ARG 60 H ARG 60 7.555 -1.305 -6.270 1189 HA ARG 60 HA ARG 60 9.432 0.801 -6.269 1190 1HB ARG 60 2HB ARG 60 10.896 0.083 -8.111 1191 2HB ARG 60 1HB ARG 60 11.071 -0.943 -6.694 1192 1HG ARG 60 2HG ARG 60 9.647 -2.633 -7.740 1193 2HG ARG 60 1HG ARG 60 9.479 -1.602 -9.163 1194 1HD ARG 60 2HD ARG 60 11.892 -1.716 -9.534 1195 2HD ARG 60 1HD ARG 60 12.069 -2.728 -8.101 1196 HE ARG 60 HE ARG 60 10.233 -3.945 -9.831 1197 1HH1 ARG 60 1HH1 ARG 60 13.637 -3.187 -9.677 1198 2HH1 ARG 60 2HH1 ARG 60 14.107 -4.525 -10.671 1199 1HH2 ARG 60 1HH2 ARG 60 10.850 -5.705 -11.138 1200 2HH2 ARG 60 2HH2 ARG 60 12.525 -5.954 -11.500 1201 H ASN 61 H ASN 61 6.677 0.486 -6.747 1202 HA ASN 61 HA ASN 61 6.106 2.220 -8.740 1203 1HB ASN 61 2HB ASN 61 7.083 0.678 -10.383 1204 2HB ASN 61 1HB ASN 61 6.000 -0.598 -9.851 1205 1HD2 ASN 61 1HD2 ASN 61 4.522 2.471 -9.882 1206 2HD2 ASN 61 2HD2 ASN 61 3.692 2.305 -11.384 1207 H PHE 62 H PHE 62 4.648 2.575 -6.961 1208 HA PHE 62 HA PHE 62 2.080 1.386 -7.401 1209 1HB PHE 62 2HB PHE 62 1.790 0.294 -5.286 1210 2HB PHE 62 1HB PHE 62 3.252 -0.338 -6.028 1211 HD1 PHE 62 1HD PHE 62 2.036 2.084 -3.500 1212 HD2 PHE 62 2HD PHE 62 5.296 -0.271 -4.892 1213 HE1 PHE 62 1HE PHE 62 3.304 2.642 -1.467 1214 HE2 PHE 62 2HE PHE 62 6.566 0.278 -2.862 1215 HZ PHE 62 HZ PHE 62 5.572 1.737 -1.145 1216 H GLY 63 H GLY 63 0.502 2.721 -6.841 1217 1HA GLY 63 2HA GLY 63 1.215 5.069 -5.194 1218 2HA GLY 63 1HA GLY 63 -0.016 5.072 -6.453 1219 H SER 64 H SER 64 0.041 5.505 -3.339 1220 HA SER 64 HA SER 64 -2.537 4.269 -2.962 1221 1HB SER 64 2HB SER 64 -1.892 2.911 -1.009 1222 2HB SER 64 1HB SER 64 -1.110 2.365 -2.490 1223 HG SER 64 HG SER 64 0.661 2.570 -1.387 1224 H TYR 65 H TYR 65 -3.553 4.709 -0.976 1225 HA TYR 65 HA TYR 65 -2.480 6.991 0.530 1226 1HB TYR 65 2HB TYR 65 -5.192 6.646 -0.709 1227 2HB TYR 65 1HB TYR 65 -5.011 7.609 0.750 1228 HD1 TYR 65 1HD TYR 65 -2.906 9.313 0.568 1229 HD2 TYR 65 2HD TYR 65 -5.195 7.818 -2.690 1230 HE1 TYR 65 1HE TYR 65 -2.245 11.258 -0.779 1231 HE2 TYR 65 2HE TYR 65 -4.539 9.760 -4.047 1232 HH TYR 65 HH TYR 65 -3.757 12.082 -3.685 1233 H VAL 66 H VAL 66 -2.850 6.937 2.727 1234 HA VAL 66 HA VAL 66 -4.546 4.894 3.906 1235 HB VAL 66 HB VAL 66 -1.582 4.907 4.489 1236 1HG1 VAL 66 1HG1 VAL 66 -2.709 4.127 6.392 1237 2HG1 VAL 66 2HG1 VAL 66 -2.193 2.670 5.540 1238 3HG1 VAL 66 3HG1 VAL 66 -3.867 3.206 5.433 1239 1HG2 VAL 66 1HG2 VAL 66 -3.186 3.037 2.751 1240 2HG2 VAL 66 2HG2 VAL 66 -1.557 2.694 3.331 1241 3HG2 VAL 66 3HG2 VAL 66 -1.841 4.067 2.263 1242 H THR 67 H THR 67 -4.466 5.048 6.350 1243 HA THR 67 HA THR 67 -3.897 7.829 7.160 1244 HB THR 67 HB THR 67 -5.984 5.915 8.248 1245 HG1 THR 67 1HG THR 67 -7.424 7.458 7.336 1246 1HG2 THR 67 1HG2 THR 67 -6.850 7.899 9.448 1247 2HG2 THR 67 2HG2 THR 67 -5.376 8.759 9.007 1248 3HG2 THR 67 3HG2 THR 67 -5.288 7.334 10.040 1249 H HIS 68 H HIS 68 -3.072 8.177 9.285 1250 HA HIS 68 HA HIS 68 -2.217 5.938 10.881 1251 1HB HIS 68 2HB HIS 68 0.219 6.500 10.642 1252 2HB HIS 68 1HB HIS 68 -0.513 5.803 9.197 1253 HD1 HIS 68 1HD HIS 68 0.573 9.155 10.578 1254 HD2 HIS 68 2HD HIS 68 -0.383 7.365 6.953 1255 HE1 HIS 68 1HE HIS 68 1.135 10.862 8.818 1256 HE2 HIS 68 2HE HIS 68 0.645 9.719 6.627 1257 H GLU 69 H GLU 69 -1.740 6.492 12.927 1258 HA GLU 69 HA GLU 69 -2.611 8.909 13.982 1259 1HB GLU 69 2HB GLU 69 -2.424 6.823 15.261 1260 2HB GLU 69 1HB GLU 69 -0.672 6.925 15.174 1261 1HG GLU 69 2HG GLU 69 -1.485 7.638 17.335 1262 2HG GLU 69 1HG GLU 69 -0.710 8.971 16.481 1263 H THR 70 H THR 70 -1.373 10.522 15.190 1264 HA THR 70 HA THR 70 0.489 11.861 13.633 1265 HB THR 70 HB THR 70 0.923 13.243 15.636 1266 HG1 THR 70 1HG THR 70 0.907 11.863 17.311 1267 1HG2 THR 70 1HG2 THR 70 -1.996 12.554 15.456 1268 2HG2 THR 70 2HG2 THR 70 -1.147 13.613 14.329 1269 3HG2 THR 70 3HG2 THR 70 -1.284 14.061 16.029 1270 H LYS 71 H LYS 71 2.680 12.058 13.606 1271 HA LYS 71 HA LYS 71 4.868 11.458 13.793 1272 1HB LYS 71 2HB LYS 71 4.076 10.515 16.549 1273 2HB LYS 71 1HB LYS 71 5.706 10.868 15.997 1274 1HG LYS 71 2HG LYS 71 3.467 12.861 16.288 1275 2HG LYS 71 1HG LYS 71 4.832 12.660 17.385 1276 1HD LYS 71 2HD LYS 71 5.581 14.412 16.113 1277 2HD LYS 71 1HD LYS 71 6.231 13.056 15.191 1278 1HE LYS 71 2HE LYS 71 5.182 14.714 13.732 1279 2HE LYS 71 1HE LYS 71 4.332 13.174 13.662 1280 1HZ LYS 71 1HZ LYS 71 2.524 14.014 14.747 1281 2HZ LYS 71 2HZ LYS 71 3.031 15.398 13.918 1282 3HZ LYS 71 3HZ LYS 71 3.405 15.210 15.557 1283 H HIS 72 H HIS 72 2.751 9.444 12.972 1284 HA HIS 72 HA HIS 72 4.455 7.063 13.293 1285 1HB HIS 72 2HB HIS 72 1.433 7.171 13.214 1286 2HB HIS 72 1HB HIS 72 2.368 5.688 13.098 1287 HD1 HIS 72 1HD HIS 72 0.573 5.528 15.329 1288 HD2 HIS 72 2HD HIS 72 4.179 7.544 15.719 1289 HE1 HIS 72 1HE HIS 72 1.036 5.609 17.798 1290 HE2 HIS 72 2HE HIS 72 3.184 6.905 18.013 1291 H PHE 73 H PHE 73 5.376 8.124 11.299 1292 HA PHE 73 HA PHE 73 4.329 6.781 8.987 1293 1HB PHE 73 2HB PHE 73 2.925 8.699 8.801 1294 2HB PHE 73 1HB PHE 73 4.257 9.791 9.160 1295 HD1 PHE 73 1HD PHE 73 3.795 6.991 6.731 1296 HD2 PHE 73 2HD PHE 73 4.761 11.091 7.343 1297 HE1 PHE 73 1HE PHE 73 4.239 7.243 4.325 1298 HE2 PHE 73 2HE PHE 73 5.204 11.349 4.937 1299 HZ PHE 73 HZ PHE 73 4.943 9.424 3.424 1300 H ILE 74 H ILE 74 5.890 6.341 7.506 1301 HA ILE 74 HA ILE 74 8.304 7.895 7.345 1302 HB ILE 74 HB ILE 74 8.829 6.580 9.325 1303 1HG1 ILE 74 2HG1 ILE 74 10.311 5.660 6.849 1304 2HG1 ILE 74 1HG1 ILE 74 10.659 7.105 7.793 1305 1HG2 ILE 74 1HG2 ILE 74 7.426 4.687 9.111 1306 2HG2 ILE 74 2HG2 ILE 74 9.081 4.083 9.052 1307 3HG2 ILE 74 3HG2 ILE 74 8.146 4.238 7.564 1308 1HD1 ILE 74 1HD1 ILE 74 11.107 4.239 8.517 1309 2HD1 ILE 74 2HD1 ILE 74 11.045 5.503 9.744 1310 3HD1 ILE 74 3HD1 ILE 74 12.263 5.570 8.471 1311 H TYR 75 H TYR 75 9.402 7.579 5.489 1312 HA TYR 75 HA TYR 75 8.832 5.274 3.794 1313 1HB TYR 75 2HB TYR 75 7.153 6.986 3.157 1314 2HB TYR 75 1HB TYR 75 8.456 8.126 2.838 1315 HD1 TYR 75 1HD TYR 75 10.303 7.171 1.140 1316 HD2 TYR 75 2HD TYR 75 6.260 5.864 1.357 1317 HE1 TYR 75 1HE TYR 75 10.456 6.332 -1.161 1318 HE2 TYR 75 2HE TYR 75 6.404 5.025 -0.950 1319 HH TYR 75 HH TYR 75 8.872 5.852 -3.054 1320 H PHE 76 H PHE 76 10.616 4.690 2.591 1321 HA PHE 76 HA PHE 76 12.703 6.551 1.979 1322 1HB PHE 76 2HB PHE 76 14.459 5.457 3.342 1323 2HB PHE 76 1HB PHE 76 13.223 6.233 4.324 1324 HD1 PHE 76 1HD PHE 76 14.056 2.908 2.855 1325 HD2 PHE 76 2HD PHE 76 12.329 5.066 6.090 1326 HE1 PHE 76 1HE PHE 76 13.713 0.801 4.073 1327 HE2 PHE 76 2HE PHE 76 11.985 2.959 7.315 1328 HZ PHE 76 HZ PHE 76 12.677 0.823 6.306 1329 H TYR 77 H TYR 77 14.057 5.839 0.407 1330 HA TYR 77 HA TYR 77 13.334 3.385 -0.930 1331 1HB TYR 77 2HB TYR 77 15.448 5.438 -1.622 1332 2HB TYR 77 1HB TYR 77 14.948 4.105 -2.654 1333 HD1 TYR 77 1HD TYR 77 13.507 7.072 -0.886 1334 HD2 TYR 77 2HD TYR 77 13.341 4.494 -4.267 1335 HE1 TYR 77 1HE TYR 77 11.770 8.497 -1.879 1336 HE2 TYR 77 2HE TYR 77 11.603 5.915 -5.271 1337 HH TYR 77 HH TYR 77 10.012 8.396 -3.508 1338 H LEU 78 H LEU 78 14.657 1.592 -1.244 1339 HA LEU 78 HA LEU 78 17.349 1.447 -0.369 1340 1HB LEU 78 2HB LEU 78 16.227 1.527 1.823 1341 2HB LEU 78 1HB LEU 78 15.312 0.097 1.396 1342 HG LEU 78 HG LEU 78 17.384 -1.211 1.286 1343 1HD1 LEU 78 1HD1 LEU 78 19.339 0.174 2.517 1344 2HD1 LEU 78 2HD1 LEU 78 18.584 1.462 1.576 1345 3HD1 LEU 78 3HD1 LEU 78 19.195 0.021 0.766 1346 1HD2 LEU 78 1HD2 LEU 78 16.369 0.105 3.688 1347 2HD2 LEU 78 2HD2 LEU 78 18.019 -0.496 3.857 1348 3HD2 LEU 78 3HD2 LEU 78 16.724 -1.597 3.388 1349 H GLY 79 H GLY 79 18.365 -0.391 -1.068 1350 1HA GLY 79 2HA GLY 79 18.686 -2.263 -2.354 1351 2HA GLY 79 1HA GLY 79 17.243 -2.879 -1.564 1352 H GLN 80 H GLN 80 17.535 -0.107 -3.730 1353 HA GLN 80 HA GLN 80 16.458 0.419 -5.655 1354 1HB GLN 80 2HB GLN 80 16.808 -2.538 -6.175 1355 2HB GLN 80 1HB GLN 80 16.399 -1.338 -7.392 1356 1HG GLN 80 2HG GLN 80 18.531 -0.216 -7.012 1357 2HG GLN 80 1HG GLN 80 18.942 -1.416 -5.786 1358 1HE2 GLN 80 1HE2 GLN 80 20.282 -2.904 -6.481 1359 2HE2 GLN 80 2HE2 GLN 80 20.376 -3.529 -8.088 1360 H VAL 81 H VAL 81 14.802 -0.098 -3.420 1361 HA VAL 81 HA VAL 81 12.301 -0.537 -4.783 1362 HB VAL 81 HB VAL 81 11.486 -2.268 -3.210 1363 1HG1 VAL 81 1HG1 VAL 81 13.932 -3.296 -4.614 1364 2HG1 VAL 81 2HG1 VAL 81 12.507 -2.748 -5.495 1365 3HG1 VAL 81 3HG1 VAL 81 12.383 -4.101 -4.369 1366 1HG2 VAL 81 1HG2 VAL 81 13.003 -3.508 -1.818 1367 2HG2 VAL 81 2HG2 VAL 81 13.141 -1.796 -1.417 1368 3HG2 VAL 81 3HG2 VAL 81 14.376 -2.573 -2.409 1369 H ALA 82 H ALA 82 10.742 0.691 -3.922 1370 HA ALA 82 HA ALA 82 11.368 2.464 -1.780 1371 1HB ALA 82 1HB ALA 82 9.066 2.053 -3.609 1372 2HB ALA 82 2HB ALA 82 9.993 3.514 -3.261 1373 3HB ALA 82 3HB ALA 82 8.782 2.943 -2.113 1374 H ILE 83 H ILE 83 10.800 2.407 0.322 1375 HA ILE 83 HA ILE 83 9.143 0.139 1.212 1376 HB ILE 83 HB ILE 83 11.446 1.421 2.691 1377 1HG1 ILE 83 2HG1 ILE 83 11.154 -1.305 1.411 1378 2HG1 ILE 83 1HG1 ILE 83 12.195 0.000 0.850 1379 1HG2 ILE 83 1HG2 ILE 83 9.695 -0.909 3.472 1380 2HG2 ILE 83 2HG2 ILE 83 9.663 0.697 4.199 1381 3HG2 ILE 83 3HG2 ILE 83 11.094 -0.319 4.369 1382 1HD1 ILE 83 1HD1 ILE 83 13.743 -0.356 2.477 1383 2HD1 ILE 83 2HD1 ILE 83 13.130 -1.997 2.276 1384 3HD1 ILE 83 3HD1 ILE 83 12.565 -1.003 3.619 1385 H LEU 84 H LEU 84 7.567 0.512 2.716 1386 HA LEU 84 HA LEU 84 7.258 3.243 3.740 1387 1HB LEU 84 2HB LEU 84 5.875 3.067 1.736 1388 2HB LEU 84 1HB LEU 84 5.111 1.624 2.371 1389 HG LEU 84 HG LEU 84 4.136 2.962 4.204 1390 1HD1 LEU 84 1HD1 LEU 84 6.075 4.788 3.647 1391 2HD1 LEU 84 2HD1 LEU 84 4.628 5.111 4.602 1392 3HD1 LEU 84 3HD1 LEU 84 4.665 5.525 2.888 1393 1HD2 LEU 84 1HD2 LEU 84 2.782 4.502 2.499 1394 2HD2 LEU 84 2HD2 LEU 84 2.550 2.757 2.596 1395 3HD2 LEU 84 3HD2 LEU 84 3.577 3.440 1.337 1396 H LEU 85 H LEU 85 6.394 3.396 5.769 1397 HA LEU 85 HA LEU 85 5.140 1.108 7.022 1398 1HB LEU 85 2HB LEU 85 7.512 0.607 7.315 1399 2HB LEU 85 1HB LEU 85 7.772 2.187 8.029 1400 HG LEU 85 HG LEU 85 6.299 1.557 9.913 1401 1HD1 LEU 85 1HD1 LEU 85 5.891 -0.807 8.216 1402 2HD1 LEU 85 2HD1 LEU 85 4.826 -0.064 9.407 1403 3HD1 LEU 85 3HD1 LEU 85 6.124 -1.137 9.932 1404 1HD2 LEU 85 1HD2 LEU 85 8.854 1.105 9.729 1405 2HD2 LEU 85 2HD2 LEU 85 8.364 -0.588 9.669 1406 3HD2 LEU 85 3HD2 LEU 85 7.936 0.404 11.063 1407 H PHE 86 H PHE 86 3.960 1.616 8.844 1408 HA PHE 86 HA PHE 86 4.146 3.909 10.392 1409 1HB PHE 86 2HB PHE 86 2.226 5.238 9.519 1410 2HB PHE 86 1HB PHE 86 3.616 5.218 8.445 1411 HD1 PHE 86 1HD PHE 86 0.344 3.532 9.007 1412 HD2 PHE 86 2HD PHE 86 3.340 4.701 6.221 1413 HE1 PHE 86 1HE PHE 86 -1.097 2.799 7.150 1414 HE2 PHE 86 2HE PHE 86 1.903 3.971 4.365 1415 HZ PHE 86 HZ PHE 86 -0.318 3.020 4.827 1416 H LYS 87 H LYS 87 2.989 3.577 12.182 1417 HA LYS 87 HA LYS 87 1.084 1.376 12.170 1418 1HB LYS 87 2HB LYS 87 1.287 1.362 14.568 1419 2HB LYS 87 1HB LYS 87 2.894 1.418 13.858 1420 1HG LYS 87 2HG LYS 87 3.073 3.772 14.340 1421 2HG LYS 87 1HG LYS 87 1.414 3.802 14.937 1422 1HD LYS 87 2HD LYS 87 3.690 2.224 16.132 1423 2HD LYS 87 1HD LYS 87 3.031 3.729 16.775 1424 1HE LYS 87 2HE LYS 87 1.560 1.113 16.478 1425 2HE LYS 87 1HE LYS 87 2.147 1.814 17.984 1426 1HZ LYS 87 1HZ LYS 87 -0.220 2.212 17.655 1427 2HZ LYS 87 2HZ LYS 87 0.097 3.030 16.210 1428 3HZ LYS 87 3HZ LYS 87 0.642 3.667 17.680 1429 H SER 88 H SER 88 -0.802 1.608 13.730 1430 HA SER 88 HA SER 88 -1.937 4.280 13.863 1431 1HB SER 88 2HB SER 88 -2.585 3.519 11.612 1432 2HB SER 88 1HB SER 88 -3.293 2.061 12.309 1433 HG SER 88 HG SER 88 -4.773 3.396 13.417 1434 H GLY 89 H GLY 89 -3.206 4.519 15.599 1435 1HA GLY 89 2HA GLY 89 -4.317 4.019 17.546 1436 2HA GLY 89 1HA GLY 89 -4.881 2.573 16.723 1437 1H MET 1 1HT MET 1 -6.289 -9.291 14.414 1438 2H MET 1 2HT MET 1 -7.933 -9.747 14.234 1439 3H MET 1 3HT MET 1 -7.528 -8.301 15.059 1440 HA MET 1 HA MET 1 -8.367 -8.040 12.759 1441 1HB MET 1 2HB MET 1 -5.594 -7.036 13.432 1442 2HB MET 1 1HB MET 1 -6.669 -6.327 12.240 1443 1HG MET 1 2HG MET 1 -7.252 -6.499 15.189 1444 2HG MET 1 1HG MET 1 -6.587 -5.091 14.371 1445 1HE MET 1 1HE MET 1 -9.269 -7.583 14.724 1446 2HE MET 1 2HE MET 1 -10.138 -7.312 13.213 1447 3HE MET 1 3HE MET 1 -10.748 -6.626 14.719 1448 H LYS 2 H LYS 2 -8.172 -8.548 10.642 1449 HA LYS 2 HA LYS 2 -6.370 -10.673 9.940 1450 1HB LYS 2 2HB LYS 2 -8.457 -9.184 8.351 1451 2HB LYS 2 1HB LYS 2 -7.500 -10.508 7.698 1452 1HG LYS 2 2HG LYS 2 -9.367 -10.687 10.054 1453 2HG LYS 2 1HG LYS 2 -9.711 -11.246 8.416 1454 1HD LYS 2 2HD LYS 2 -7.832 -12.818 8.569 1455 2HD LYS 2 1HD LYS 2 -7.513 -12.268 10.215 1456 1HE LYS 2 2HE LYS 2 -10.051 -13.583 9.252 1457 2HE LYS 2 1HE LYS 2 -8.779 -14.364 10.190 1458 1HZ LYS 2 1HZ LYS 2 -10.380 -12.037 11.109 1459 2HZ LYS 2 2HZ LYS 2 -9.218 -12.870 12.011 1460 3HZ LYS 2 3HZ LYS 2 -10.655 -13.644 11.564 1461 H ASP 3 H ASP 3 -4.577 -10.605 8.747 1462 HA ASP 3 HA ASP 3 -3.612 -7.953 7.995 1463 1HB ASP 3 2HB ASP 3 -2.085 -10.529 8.384 1464 2HB ASP 3 1HB ASP 3 -1.369 -8.968 7.997 1465 H THR 4 H THR 4 -3.885 -7.413 5.927 1466 HA THR 4 HA THR 4 -4.272 -9.340 3.861 1467 HB THR 4 HB THR 4 -3.881 -6.364 3.822 1468 HG1 THR 4 1HG THR 4 -6.150 -8.014 3.480 1469 1HG2 THR 4 1HG2 THR 4 -4.629 -6.330 1.534 1470 2HG2 THR 4 2HG2 THR 4 -4.717 -8.091 1.510 1471 3HG2 THR 4 3HG2 THR 4 -3.155 -7.288 1.668 1472 H GLY 5 H GLY 5 -2.871 -9.917 2.196 1473 1HA GLY 5 2HA GLY 5 -0.217 -8.767 2.075 1474 2HA GLY 5 1HA GLY 5 -0.265 -10.424 2.658 1475 H ILE 6 H ILE 6 0.342 -8.681 0.012 1476 HA ILE 6 HA ILE 6 0.012 -10.927 -1.737 1477 HB ILE 6 HB ILE 6 -1.322 -9.680 -3.444 1478 1HG1 ILE 6 2HG1 ILE 6 -2.835 -7.864 -2.440 1479 2HG1 ILE 6 1HG1 ILE 6 -1.650 -7.767 -1.142 1480 1HG2 ILE 6 1HG2 ILE 6 -3.409 -10.332 -2.585 1481 2HG2 ILE 6 2HG2 ILE 6 -2.904 -10.041 -0.919 1482 3HG2 ILE 6 3HG2 ILE 6 -2.235 -11.405 -1.820 1483 1HD1 ILE 6 1HD1 ILE 6 -0.276 -6.542 -2.379 1484 2HD1 ILE 6 2HD1 ILE 6 -1.616 -6.365 -3.511 1485 3HD1 ILE 6 3HD1 ILE 6 -0.416 -7.635 -3.757 1486 H GLN 7 H GLN 7 1.322 -10.840 -3.510 1487 HA GLN 7 HA GLN 7 3.153 -8.560 -3.619 1488 1HB GLN 7 2HB GLN 7 4.575 -10.073 -5.002 1489 2HB GLN 7 1HB GLN 7 4.265 -10.675 -3.381 1490 1HG GLN 7 2HG GLN 7 2.539 -12.168 -4.274 1491 2HG GLN 7 1HG GLN 7 2.883 -11.578 -5.900 1492 1HE2 GLN 7 1HE2 GLN 7 3.420 -14.046 -3.858 1493 2HE2 GLN 7 2HE2 GLN 7 4.922 -14.634 -4.476 1494 H VAL 8 H VAL 8 2.047 -7.046 -4.801 1495 HA VAL 8 HA VAL 8 0.595 -7.644 -7.167 1496 HB VAL 8 HB VAL 8 1.702 -4.972 -6.289 1497 1HG1 VAL 8 1HG1 VAL 8 -0.435 -4.266 -7.619 1498 2HG1 VAL 8 2HG1 VAL 8 -0.215 -5.827 -8.412 1499 3HG1 VAL 8 3HG1 VAL 8 1.067 -4.617 -8.474 1500 1HG2 VAL 8 1HG2 VAL 8 -0.873 -4.815 -5.643 1501 2HG2 VAL 8 2HG2 VAL 8 0.343 -5.426 -4.523 1502 3HG2 VAL 8 3HG2 VAL 8 -0.658 -6.553 -5.439 1503 H ASP 9 H ASP 9 1.144 -7.502 -9.287 1504 HA ASP 9 HA ASP 9 3.560 -6.352 -10.234 1505 1HB ASP 9 1HB ASP 9 3.438 -9.375 -10.154 1506 2HB ASP 9 2HB ASP 9 4.531 -8.363 -9.214 1507 H ARG 10 H ARG 10 3.266 -5.796 -12.292 1508 HA ARG 10 HA ARG 10 0.855 -6.355 -13.641 1509 1HB ARG 10 2HB ARG 10 2.524 -4.375 -13.902 1510 2HB ARG 10 1HB ARG 10 3.353 -5.429 -15.035 1511 1HG ARG 10 2HG ARG 10 0.544 -4.380 -15.242 1512 2HG ARG 10 1HG ARG 10 1.922 -3.966 -16.258 1513 1HD ARG 10 2HD ARG 10 2.005 -6.398 -16.929 1514 2HD ARG 10 1HD ARG 10 0.455 -6.585 -16.112 1515 HE ARG 10 HE ARG 10 0.870 -5.512 -18.689 1516 1HH1 ARG 10 1HH1 ARG 10 -1.095 -5.085 -15.834 1517 2HH1 ARG 10 2HH1 ARG 10 -2.396 -4.334 -16.692 1518 1HH2 ARG 10 1HH2 ARG 10 -0.842 -4.528 -19.815 1519 2HH2 ARG 10 2HH2 ARG 10 -2.253 -4.018 -18.952 1520 H ASP 11 H ASP 11 0.283 -8.063 -14.847 1521 HA ASP 11 HA ASP 11 2.044 -9.428 -16.592 1522 1HB ASP 11 2HB ASP 11 2.076 -11.623 -15.460 1523 2HB ASP 11 1HB ASP 11 2.931 -10.390 -14.535 1524 H LEU 12 H LEU 12 -0.455 -8.233 -16.854 1525 HA LEU 12 HA LEU 12 -2.442 -10.347 -16.942 1526 1HB LEU 12 2HB LEU 12 -2.571 -7.439 -17.742 1527 2HB LEU 12 1HB LEU 12 -3.925 -8.548 -17.835 1528 HG LEU 12 HG LEU 12 -3.817 -8.858 -15.383 1529 1HD1 LEU 12 1HD1 LEU 12 -2.466 -6.951 -14.222 1530 2HD1 LEU 12 2HD1 LEU 12 -1.493 -7.017 -15.691 1531 3HD1 LEU 12 3HD1 LEU 12 -1.667 -8.453 -14.683 1532 1HD2 LEU 12 1HD2 LEU 12 -4.979 -6.863 -16.754 1533 2HD2 LEU 12 2HD2 LEU 12 -3.960 -5.927 -15.661 1534 3HD2 LEU 12 3HD2 LEU 12 -5.137 -7.067 -15.009 1535 H ASP 13 H ASP 13 -0.377 -11.069 -18.541 1536 HA ASP 13 HA ASP 13 -1.646 -11.142 -21.145 1537 1HB ASP 13 2HB ASP 13 1.146 -10.030 -20.777 1538 2HB ASP 13 1HB ASP 13 0.457 -10.493 -22.331 1539 H GLY 14 H GLY 14 -1.433 -13.110 -22.020 1540 1HA GLY 14 2HA GLY 14 0.298 -15.028 -20.667 1541 2HA GLY 14 1HA GLY 14 -0.972 -15.405 -21.820 1542 H LYS 15 H LYS 15 1.708 -13.124 -22.240 1543 HA LYS 15 HA LYS 15 3.450 -14.777 -23.646 1544 1HB LYS 15 2HB LYS 15 3.005 -14.117 -25.977 1545 2HB LYS 15 1HB LYS 15 1.673 -15.033 -25.289 1546 1HG LYS 15 2HG LYS 15 0.455 -12.933 -24.901 1547 2HG LYS 15 1HG LYS 15 1.782 -12.047 -25.653 1548 1HD LYS 15 2HD LYS 15 1.420 -13.276 -27.739 1549 2HD LYS 15 1HD LYS 15 0.093 -14.165 -26.985 1550 1HE LYS 15 2HE LYS 15 -0.742 -12.332 -28.363 1551 2HE LYS 15 1HE LYS 15 -1.129 -12.077 -26.661 1552 1HZ LYS 15 1HZ LYS 15 1.113 -10.803 -28.136 1553 2HZ LYS 15 2HZ LYS 15 0.745 -10.558 -26.504 1554 3HZ LYS 15 3HZ LYS 15 -0.337 -10.048 -27.699 1555 H SER 16 H SER 16 2.014 -11.528 -23.758 1556 HA SER 16 HA SER 16 4.405 -10.207 -24.510 1557 1HB SER 16 2HB SER 16 1.942 -9.121 -23.119 1558 2HB SER 16 1HB SER 16 3.213 -8.140 -23.846 1559 HG SER 16 HG SER 16 1.092 -9.256 -25.022 1560 H HIS 17 H HIS 17 2.849 -10.804 -21.392 1561 HA HIS 17 HA HIS 17 3.625 -10.737 -19.257 1562 1HB HIS 17 2HB HIS 17 6.334 -10.774 -20.602 1563 2HB HIS 17 1HB HIS 17 6.048 -11.055 -18.887 1564 HD1 HIS 17 1HD HIS 17 7.402 -13.330 -19.934 1565 HD2 HIS 17 2HD HIS 17 3.315 -12.916 -20.561 1566 HE1 HIS 17 1HE HIS 17 6.565 -15.642 -20.456 1567 HE2 HIS 17 2HE HIS 17 4.076 -15.381 -20.744 1568 H LYS 18 H LYS 18 3.687 -9.106 -17.849 1569 HA LYS 18 HA LYS 18 3.905 -7.011 -16.990 1570 1HB LYS 18 2HB LYS 18 6.333 -6.923 -18.789 1571 2HB LYS 18 1HB LYS 18 5.989 -5.787 -17.492 1572 1HG LYS 18 2HG LYS 18 6.121 -7.609 -15.865 1573 2HG LYS 18 1HG LYS 18 6.483 -8.740 -17.171 1574 1HD LYS 18 2HD LYS 18 8.153 -6.350 -16.393 1575 2HD LYS 18 1HD LYS 18 8.517 -8.032 -16.004 1576 1HE LYS 18 2HE LYS 18 8.659 -8.544 -18.397 1577 2HE LYS 18 1HE LYS 18 8.310 -6.858 -18.775 1578 1HZ LYS 18 1HZ LYS 18 10.350 -6.174 -17.860 1579 2HZ LYS 18 2HZ LYS 18 10.718 -7.526 -18.807 1580 3HZ LYS 18 3HZ LYS 18 10.632 -7.671 -17.125 1581 1H MET 1 1HT MET 1 -2.609 12.454 13.508 1582 2H MET 1 2HT MET 1 -3.314 11.255 14.514 1583 3H MET 1 3HT MET 1 -4.252 12.587 13.973 1584 HA MET 1 HA MET 1 -3.305 10.245 12.512 1585 1HB MET 1 2HB MET 1 -5.931 11.735 12.710 1586 2HB MET 1 1HB MET 1 -5.665 10.278 11.762 1587 1HG MET 1 2HG MET 1 -5.139 9.050 13.811 1588 2HG MET 1 1HG MET 1 -5.431 10.510 14.754 1589 1HE MET 1 1HE MET 1 -8.044 9.085 16.208 1590 2HE MET 1 2HE MET 1 -6.490 8.376 15.774 1591 3HE MET 1 3HE MET 1 -7.987 7.620 15.228 1592 H LYS 2 H LYS 2 -2.868 10.323 10.370 1593 HA LYS 2 HA LYS 2 -3.560 12.607 8.760 1594 1HB LYS 2 2HB LYS 2 -0.652 11.986 9.310 1595 2HB LYS 2 1HB LYS 2 -1.233 13.119 8.098 1596 1HG LYS 2 2HG LYS 2 -2.230 14.490 9.870 1597 2HG LYS 2 1HG LYS 2 -1.615 13.359 11.077 1598 1HD LYS 2 2HD LYS 2 -0.152 15.297 10.888 1599 2HD LYS 2 1HD LYS 2 0.677 13.833 10.352 1600 1HE LYS 2 2HE LYS 2 0.228 14.427 8.024 1601 2HE LYS 2 1HE LYS 2 -0.618 15.881 8.554 1602 1HZ LYS 2 1HZ LYS 2 1.391 16.778 9.408 1603 2HZ LYS 2 2HZ LYS 2 1.725 16.236 7.841 1604 3HZ LYS 2 3HZ LYS 2 2.229 15.327 9.175 1605 H ASP 3 H ASP 3 -3.831 12.048 6.694 1606 HA ASP 3 HA ASP 3 -3.465 9.294 5.990 1607 1HB ASP 3 2HB ASP 3 -4.550 9.983 3.837 1608 2HB ASP 3 1HB ASP 3 -5.498 10.328 5.279 1609 H THR 4 H THR 4 -1.754 8.431 5.049 1610 HA THR 4 HA THR 4 0.333 10.114 3.969 1611 HB THR 4 HB THR 4 0.821 8.124 5.393 1612 HG1 THR 4 1HG THR 4 2.371 7.207 3.787 1613 1HG2 THR 4 1HG2 THR 4 0.347 5.987 4.851 1614 2HG2 THR 4 2HG2 THR 4 0.417 6.292 3.115 1615 3HG2 THR 4 3HG2 THR 4 -1.013 6.758 4.036 1616 H GLY 5 H GLY 5 1.050 10.067 1.809 1617 1HA GLY 5 2HA GLY 5 -0.490 8.495 -0.108 1618 2HA GLY 5 1HA GLY 5 -0.609 10.243 -0.249 1619 H ILE 6 H ILE 6 0.728 7.812 -1.746 1620 HA ILE 6 HA ILE 6 2.867 9.410 -2.795 1621 HB ILE 6 HB ILE 6 4.575 7.540 -2.430 1622 1HG1 ILE 6 2HG1 ILE 6 4.207 6.417 -0.153 1623 2HG1 ILE 6 1HG1 ILE 6 2.510 6.836 -0.357 1624 1HG2 ILE 6 1HG2 ILE 6 3.856 9.025 0.074 1625 2HG2 ILE 6 2HG2 ILE 6 4.475 9.852 -1.355 1626 3HG2 ILE 6 3HG2 ILE 6 5.454 8.625 -0.551 1627 1HD1 ILE 6 1HD1 ILE 6 2.181 5.085 -1.662 1628 2HD1 ILE 6 2HD1 ILE 6 3.825 4.567 -1.282 1629 3HD1 ILE 6 3HD1 ILE 6 3.519 5.549 -2.716 1630 H GLN 7 H GLN 7 3.398 8.889 -4.835 1631 HA GLN 7 HA GLN 7 2.142 6.483 -5.973 1632 1HB GLN 7 2HB GLN 7 2.002 7.770 -8.102 1633 2HB GLN 7 1HB GLN 7 1.022 8.431 -6.803 1634 1HG GLN 7 2HG GLN 7 2.731 10.126 -6.377 1635 2HG GLN 7 1HG GLN 7 3.702 9.470 -7.692 1636 1HE2 GLN 7 1HE2 GLN 7 1.661 11.875 -6.907 1637 2HE2 GLN 7 2HE2 GLN 7 1.012 12.247 -8.464 1638 H VAL 8 H VAL 8 4.174 5.385 -5.424 1639 HA VAL 8 HA VAL 8 6.627 6.143 -6.645 1640 HB VAL 8 HB VAL 8 5.812 3.402 -5.666 1641 1HG1 VAL 8 1HG1 VAL 8 8.457 3.576 -5.204 1642 2HG1 VAL 8 2HG1 VAL 8 8.333 4.569 -6.656 1643 3HG1 VAL 8 3HG1 VAL 8 7.766 2.900 -6.681 1644 1HG2 VAL 8 1HG2 VAL 8 6.919 4.044 -3.561 1645 2HG2 VAL 8 2HG2 VAL 8 5.501 5.034 -3.905 1646 3HG2 VAL 8 3HG2 VAL 8 7.116 5.682 -4.186 1647 H ASP 9 H ASP 9 7.542 5.539 -8.551 1648 HA ASP 9 HA ASP 9 6.655 3.401 -10.174 1649 1HB ASP 9 2HB ASP 9 4.708 4.847 -10.531 1650 2HB ASP 9 1HB ASP 9 5.764 6.162 -11.037 1651 H ARG 10 H ARG 10 9.127 4.000 -9.351 1652 HA ARG 10 HA ARG 10 10.639 5.693 -11.010 1653 1HB ARG 10 2HB ARG 10 12.596 4.441 -10.181 1654 2HB ARG 10 1HB ARG 10 11.505 4.912 -8.885 1655 1HG ARG 10 2HG ARG 10 10.560 2.636 -8.890 1656 2HG ARG 10 1HG ARG 10 11.733 2.181 -10.128 1657 1HD ARG 10 2HD ARG 10 12.367 3.172 -7.351 1658 2HD ARG 10 1HD ARG 10 12.493 1.504 -7.913 1659 HE ARG 10 HE ARG 10 14.055 3.083 -9.593 1660 1HH1 ARG 10 1HH1 ARG 10 13.990 2.108 -6.243 1661 2HH1 ARG 10 2HH1 ARG 10 15.708 2.203 -6.053 1662 1HH2 ARG 10 1HH2 ARG 10 16.315 3.206 -9.346 1663 2HH2 ARG 10 2HH2 ARG 10 17.029 2.827 -7.814 1664 H ASP 11 H ASP 11 9.968 2.223 -11.218 1665 HA ASP 11 HA ASP 11 10.161 0.726 -12.923 1666 1HB ASP 11 2HB ASP 11 9.917 3.241 -14.585 1667 2HB ASP 11 1HB ASP 11 9.778 1.605 -15.220 1668 H LEU 12 H LEU 12 12.538 1.145 -11.810 1669 HA LEU 12 HA LEU 12 14.538 2.006 -13.656 1670 1HB LEU 12 2HB LEU 12 16.140 1.405 -12.025 1671 2HB LEU 12 1HB LEU 12 14.781 2.126 -11.186 1672 HG LEU 12 HG LEU 12 15.141 -0.837 -11.443 1673 1HD1 LEU 12 1HD1 LEU 12 15.710 -0.156 -8.823 1674 2HD1 LEU 12 2HD1 LEU 12 16.574 1.053 -9.774 1675 3HD1 LEU 12 3HD1 LEU 12 16.874 -0.664 -10.047 1676 1HD2 LEU 12 1HD2 LEU 12 13.744 -0.570 -9.233 1677 2HD2 LEU 12 2HD2 LEU 12 12.961 -0.555 -10.813 1678 3HD2 LEU 12 3HD2 LEU 12 13.289 0.963 -9.977 1679 H ASP 13 H ASP 13 13.050 0.150 -15.029 1680 HA ASP 13 HA ASP 13 14.024 -2.483 -14.912 1681 1HB ASP 13 2HB ASP 13 12.854 -0.956 -17.247 1682 2HB ASP 13 1HB ASP 13 13.114 -2.698 -17.216 1683 H GLY 14 H GLY 14 15.740 -3.491 -15.834 1684 1HA GLY 14 2HA GLY 14 17.955 -1.864 -16.645 1685 2HA GLY 14 1HA GLY 14 17.928 -3.616 -16.553 1686 H LYS 15 H LYS 15 16.093 -1.254 -18.520 1687 HA LYS 15 HA LYS 15 17.422 -1.738 -20.924 1688 1HB LYS 15 2HB LYS 15 16.566 -4.023 -20.719 1689 2HB LYS 15 1HB LYS 15 14.925 -3.409 -20.566 1690 1HG LYS 15 2HG LYS 15 15.043 -2.515 -22.834 1691 2HG LYS 15 1HG LYS 15 16.691 -3.124 -22.989 1692 1HD LYS 15 2HD LYS 15 15.876 -5.409 -22.675 1693 2HD LYS 15 1HD LYS 15 14.226 -4.800 -22.515 1694 1HE LYS 15 2HE LYS 15 14.631 -5.658 -24.762 1695 2HE LYS 15 1HE LYS 15 14.323 -3.922 -24.792 1696 1HZ LYS 15 1HZ LYS 15 16.353 -5.061 -26.057 1697 2HZ LYS 15 2HZ LYS 15 17.108 -4.730 -24.580 1698 3HZ LYS 15 3HZ LYS 15 16.409 -3.473 -25.471 1699 H SER 16 H SER 16 13.949 -1.662 -20.116 1700 HA SER 16 HA SER 16 13.616 1.097 -20.631 1701 1HB SER 16 2HB SER 16 12.796 -0.772 -22.869 1702 2HB SER 16 1HB SER 16 12.301 0.915 -22.742 1703 HG SER 16 HG SER 16 14.811 -0.173 -23.332 1704 H HIS 17 H HIS 17 11.751 1.751 -19.729 1705 HA HIS 17 HA HIS 17 9.303 0.414 -19.808 1706 1HB HIS 17 2HB HIS 17 10.430 -1.263 -18.394 1707 2HB HIS 17 1HB HIS 17 10.802 -0.012 -17.214 1708 HD1 HIS 17 1HD HIS 17 7.586 -1.137 -18.930 1709 HD2 HIS 17 2HD HIS 17 9.069 -0.213 -15.160 1710 HE1 HIS 17 1HE HIS 17 5.649 -1.436 -17.353 1711 HE2 HIS 17 2HE HIS 17 6.548 -0.783 -15.092 1712 H LYS 18 H LYS 18 11.374 2.371 -17.692 1713 HA LYS 18 HA LYS 18 9.318 3.880 -16.511 1714 1HB LYS 18 2HB LYS 18 11.098 5.476 -15.911 1715 2HB LYS 18 1HB LYS 18 11.555 3.815 -15.564 1716 1HG LYS 18 2HG LYS 18 12.886 3.754 -17.615 1717 2HG LYS 18 1HG LYS 18 12.437 5.429 -17.948 1718 1HD LYS 18 2HD LYS 18 13.510 6.127 -15.859 1719 2HD LYS 18 1HD LYS 18 13.960 4.453 -15.530 1720 1HE LYS 18 2HE LYS 18 15.305 4.416 -17.575 1721 2HE LYS 18 1HE LYS 18 14.857 6.091 -17.898 1722 1HZ LYS 18 1HZ LYS 18 16.271 6.862 -16.342 1723 2HZ LYS 18 2HZ LYS 18 17.071 5.397 -16.618 1724 3HZ LYS 18 3HZ LYS 18 16.032 5.555 -15.293 Start of MODEL 12 1 1H MET 1 1HT MET 1 -17.043 1.350 -26.262 2 2H MET 1 2HT MET 1 -18.181 0.765 -25.117 3 3H MET 1 3HT MET 1 -17.608 -0.267 -26.363 4 HA MET 1 HA MET 1 -15.383 -0.079 -25.454 5 1HB MET 1 2HB MET 1 -16.864 1.345 -23.232 6 2HB MET 1 1HB MET 1 -15.174 0.862 -23.180 7 1HG MET 1 2HG MET 1 -14.686 2.355 -25.049 8 2HG MET 1 1HG MET 1 -16.382 2.838 -25.102 9 1HE MET 1 1HE MET 1 -14.371 4.800 -25.204 10 2HE MET 1 2HE MET 1 -14.132 5.817 -23.784 11 3HE MET 1 3HE MET 1 -15.721 5.723 -24.542 12 H CYS 2 H CYS 2 -14.807 -1.976 -24.551 13 HA CYS 2 HA CYS 2 -16.722 -3.918 -23.922 14 1HB CYS 2 2HB CYS 2 -13.785 -3.853 -23.195 15 2HB CYS 2 1HB CYS 2 -14.815 -5.280 -23.145 16 HG CYS 2 HG CYS 2 -13.876 -3.885 -25.757 17 H ASP 3 H ASP 3 -17.658 -4.579 -22.065 18 HA ASP 3 HA ASP 3 -17.810 -2.860 -19.864 19 1HB ASP 3 2HB ASP 3 -19.014 -4.697 -18.743 20 2HB ASP 3 1HB ASP 3 -19.579 -4.460 -20.394 21 H ARG 4 H ARG 4 -16.619 -2.617 -18.083 22 HA ARG 4 HA ARG 4 -14.083 -3.762 -17.824 23 1HB ARG 4 2HB ARG 4 -13.917 -2.622 -15.744 24 2HB ARG 4 1HB ARG 4 -14.872 -1.602 -16.802 25 1HG ARG 4 2HG ARG 4 -15.949 -3.387 -14.628 26 2HG ARG 4 1HG ARG 4 -15.773 -1.636 -14.544 27 1HD ARG 4 2HD ARG 4 -17.334 -1.428 -16.450 28 2HD ARG 4 1HD ARG 4 -17.555 -3.177 -16.427 29 HE ARG 4 HE ARG 4 -18.111 -2.201 -13.872 30 1HH1 ARG 4 1HH1 ARG 4 -19.419 -2.021 -17.103 31 2HH1 ARG 4 2HH1 ARG 4 -21.049 -1.796 -16.564 32 1HH2 ARG 4 1HH2 ARG 4 -20.254 -1.906 -13.162 33 2HH2 ARG 4 2HH2 ARG 4 -21.524 -1.731 -14.327 34 H LYS 5 H LYS 5 -13.468 -5.716 -17.178 35 HA LYS 5 HA LYS 5 -15.343 -7.593 -16.149 36 1HB LYS 5 2HB LYS 5 -13.590 -9.207 -16.193 37 2HB LYS 5 1HB LYS 5 -13.424 -8.206 -17.627 38 1HG LYS 5 2HG LYS 5 -11.796 -7.837 -15.120 39 2HG LYS 5 1HG LYS 5 -11.284 -8.797 -16.504 40 1HD LYS 5 2HD LYS 5 -11.538 -6.748 -17.917 41 2HD LYS 5 1HD LYS 5 -11.827 -5.833 -16.437 42 1HE LYS 5 2HE LYS 5 -9.342 -7.402 -17.112 43 2HE LYS 5 1HE LYS 5 -9.501 -5.646 -17.115 44 1HZ LYS 5 1HZ LYS 5 -10.334 -6.516 -14.618 45 2HZ LYS 5 2HZ LYS 5 -8.916 -5.674 -14.994 46 3HZ LYS 5 3HZ LYS 5 -8.911 -7.365 -14.955 47 H ALA 6 H ALA 6 -12.554 -5.941 -14.722 48 HA ALA 6 HA ALA 6 -11.895 -5.641 -12.561 49 1HB ALA 6 1HB ALA 6 -14.679 -5.866 -11.571 50 2HB ALA 6 2HB ALA 6 -14.340 -4.622 -12.775 51 3HB ALA 6 3HB ALA 6 -13.456 -4.638 -11.249 52 H VAL 7 H VAL 7 -10.989 -7.892 -12.739 53 HA VAL 7 HA VAL 7 -12.407 -10.056 -11.559 54 HB VAL 7 HB VAL 7 -10.259 -11.222 -11.563 55 1HG1 VAL 7 1HG1 VAL 7 -9.849 -11.125 -14.012 56 2HG1 VAL 7 2HG1 VAL 7 -10.909 -9.717 -14.086 57 3HG1 VAL 7 3HG1 VAL 7 -11.553 -11.280 -13.583 58 1HG2 VAL 7 1HG2 VAL 7 -9.232 -8.487 -11.985 59 2HG2 VAL 7 2HG2 VAL 7 -8.430 -9.784 -12.871 60 3HG2 VAL 7 3HG2 VAL 7 -8.520 -9.844 -11.111 61 H ILE 8 H ILE 8 -12.328 -10.870 -9.502 62 HA ILE 8 HA ILE 8 -10.857 -9.255 -7.521 63 HB ILE 8 HB ILE 8 -13.556 -10.519 -7.063 64 1HG1 ILE 8 2HG1 ILE 8 -12.837 -7.652 -7.700 65 2HG1 ILE 8 1HG1 ILE 8 -13.803 -8.736 -8.690 66 1HG2 ILE 8 1HG2 ILE 8 -13.013 -8.405 -5.273 67 2HG2 ILE 8 2HG2 ILE 8 -11.577 -9.428 -5.318 68 3HG2 ILE 8 3HG2 ILE 8 -13.146 -10.127 -4.918 69 1HD1 ILE 8 1HD1 ILE 8 -15.466 -8.812 -6.836 70 2HD1 ILE 8 2HD1 ILE 8 -15.271 -7.230 -7.594 71 3HD1 ILE 8 3HD1 ILE 8 -14.528 -7.556 -6.028 72 H LYS 9 H LYS 9 -9.779 -10.297 -5.945 73 HA LYS 9 HA LYS 9 -9.915 -13.242 -5.932 74 1HB LYS 9 2HB LYS 9 -7.588 -11.435 -5.237 75 2HB LYS 9 1HB LYS 9 -7.580 -13.188 -5.100 76 1HG LYS 9 2HG LYS 9 -7.908 -11.619 -7.649 77 2HG LYS 9 1HG LYS 9 -6.444 -12.450 -7.119 78 1HD LYS 9 2HD LYS 9 -9.099 -13.755 -7.714 79 2HD LYS 9 1HD LYS 9 -7.683 -13.772 -8.767 80 1HE LYS 9 2HE LYS 9 -6.418 -14.957 -7.034 81 2HE LYS 9 1HE LYS 9 -7.839 -14.943 -5.990 82 1HZ LYS 9 1HZ LYS 9 -7.314 -16.531 -8.394 83 2HZ LYS 9 2HZ LYS 9 -8.913 -16.094 -8.064 84 3HZ LYS 9 3HZ LYS 9 -8.033 -16.992 -6.933 85 H ASN 10 H ASN 10 -9.194 -10.433 -3.880 86 HA ASN 10 HA ASN 10 -10.090 -11.941 -1.526 87 1HB ASN 10 2HB ASN 10 -8.562 -9.336 -1.732 88 2HB ASN 10 1HB ASN 10 -9.047 -10.095 -0.224 89 1HD2 ASN 10 1HD2 ASN 10 -8.364 -12.656 -2.097 90 2HD2 ASN 10 2HD2 ASN 10 -6.688 -12.849 -1.752 91 H ALA 11 H ALA 11 -11.760 -11.183 -0.220 92 HA ALA 11 HA ALA 11 -13.034 -8.666 -0.724 93 1HB ALA 11 1HB ALA 11 -14.837 -9.249 -1.945 94 2HB ALA 11 2HB ALA 11 -14.961 -10.843 -1.200 95 3HB ALA 11 3HB ALA 11 -13.790 -10.560 -2.487 96 H ASP 12 H ASP 12 -12.011 -9.455 1.590 97 HA ASP 12 HA ASP 12 -13.876 -10.825 3.277 98 1HB ASP 12 2HB ASP 12 -11.434 -9.176 3.972 99 2HB ASP 12 1HB ASP 12 -12.334 -10.182 5.102 100 H MET 13 H MET 13 -15.484 -9.074 2.261 101 HA MET 13 HA MET 13 -16.287 -7.449 4.464 102 1HB MET 13 2HB MET 13 -14.547 -5.997 3.493 103 2HB MET 13 1HB MET 13 -15.396 -6.016 1.956 104 1HG MET 13 2HG MET 13 -17.279 -4.876 2.935 105 2HG MET 13 1HG MET 13 -16.532 -4.952 4.530 106 1HE MET 13 1HE MET 13 -16.078 -4.012 0.957 107 2HE MET 13 2HE MET 13 -14.344 -3.736 1.127 108 3HE MET 13 3HE MET 13 -15.445 -2.366 0.968 109 H SER 14 H SER 14 -18.320 -6.311 4.055 110 HA SER 14 HA SER 14 -20.301 -7.849 3.011 111 1HB SER 14 2HB SER 14 -20.261 -4.824 3.098 112 2HB SER 14 1HB SER 14 -21.707 -5.819 2.941 113 HG SER 14 HG SER 14 -20.945 -6.813 4.988 114 H GLU 15 H GLU 15 -21.371 -8.111 1.103 115 HA GLU 15 HA GLU 15 -19.989 -7.950 -1.283 116 1HB GLU 15 2HB GLU 15 -22.132 -8.420 -2.388 117 2HB GLU 15 1HB GLU 15 -21.879 -9.439 -0.978 118 1HG GLU 15 2HG GLU 15 -23.349 -7.973 0.330 119 2HG GLU 15 1HG GLU 15 -23.625 -6.989 -1.109 120 H GLU 16 H GLU 16 -22.480 -5.742 -0.074 121 HA GLU 16 HA GLU 16 -22.577 -4.067 -2.306 122 1HB GLU 16 2HB GLU 16 -23.550 -2.388 -0.796 123 2HB GLU 16 1HB GLU 16 -24.260 -3.976 -0.548 124 1HG GLU 16 2HG GLU 16 -22.847 -4.304 1.416 125 2HG GLU 16 1HG GLU 16 -22.136 -2.709 1.169 126 H MET 17 H MET 17 -20.529 -3.902 0.581 127 HA MET 17 HA MET 17 -19.291 -1.462 -0.033 128 1HB MET 17 2HB MET 17 -18.218 -3.807 1.540 129 2HB MET 17 1HB MET 17 -17.512 -2.197 1.525 130 1HG MET 17 2HG MET 17 -19.570 -1.288 2.482 131 2HG MET 17 1HG MET 17 -20.269 -2.905 2.504 132 1HE MET 17 1HE MET 17 -19.894 -0.919 5.247 133 2HE MET 17 2HE MET 17 -19.736 -2.339 6.281 134 3HE MET 17 3HE MET 17 -20.869 -2.354 4.930 135 H GLN 18 H GLN 18 -18.269 -4.791 -0.723 136 HA GLN 18 HA GLN 18 -15.896 -4.072 -2.056 137 1HB GLN 18 2HB GLN 18 -16.026 -6.374 -3.046 138 2HB GLN 18 1HB GLN 18 -16.095 -6.310 -1.293 139 1HG GLN 18 2HG GLN 18 -18.559 -6.534 -1.439 140 2HG GLN 18 1HG GLN 18 -18.393 -6.739 -3.182 141 1HE2 GLN 18 1HE2 GLN 18 -18.396 -8.262 -0.188 142 2HE2 GLN 18 2HE2 GLN 18 -17.846 -9.816 -0.693 143 H GLN 19 H GLN 19 -19.192 -4.559 -3.219 144 HA GLN 19 HA GLN 19 -18.563 -4.350 -5.977 145 1HB GLN 19 2HB GLN 19 -21.135 -3.877 -4.470 146 2HB GLN 19 1HB GLN 19 -21.017 -3.815 -6.223 147 1HG GLN 19 2HG GLN 19 -20.384 -6.207 -4.509 148 2HG GLN 19 1HG GLN 19 -21.864 -5.964 -5.434 149 1HE2 GLN 19 1HE2 GLN 19 -19.010 -7.521 -5.438 150 2HE2 GLN 19 2HE2 GLN 19 -18.772 -7.721 -7.137 151 H ASP 20 H ASP 20 -19.462 -1.994 -3.514 152 HA ASP 20 HA ASP 20 -19.755 0.220 -5.235 153 1HB ASP 20 2HB ASP 20 -20.591 0.225 -2.923 154 2HB ASP 20 1HB ASP 20 -18.938 0.162 -2.319 155 H SER 21 H SER 21 -16.955 -1.208 -3.674 156 HA SER 21 HA SER 21 -15.166 0.913 -4.264 157 1HB SER 21 2HB SER 21 -14.582 -2.023 -3.787 158 2HB SER 21 1HB SER 21 -13.384 -0.730 -3.782 159 HG SER 21 HG SER 21 -14.530 0.195 -2.017 160 H VAL 22 H VAL 22 -15.986 -2.107 -5.916 161 HA VAL 22 HA VAL 22 -14.147 -1.853 -8.029 162 HB VAL 22 HB VAL 22 -16.818 -3.269 -7.978 163 1HG1 VAL 22 1HG1 VAL 22 -16.015 -4.536 -9.899 164 2HG1 VAL 22 2HG1 VAL 22 -14.539 -3.569 -9.935 165 3HG1 VAL 22 3HG1 VAL 22 -16.097 -2.815 -10.273 166 1HG2 VAL 22 1HG2 VAL 22 -14.330 -4.821 -7.950 167 2HG2 VAL 22 2HG2 VAL 22 -15.810 -5.027 -7.012 168 3HG2 VAL 22 3HG2 VAL 22 -14.603 -3.843 -6.508 169 H GLU 23 H GLU 23 -17.543 -0.882 -7.752 170 HA GLU 23 HA GLU 23 -17.704 0.230 -10.361 171 1HB GLU 23 2HB GLU 23 -19.377 0.799 -7.906 172 2HB GLU 23 1HB GLU 23 -19.782 1.295 -9.544 173 1HG GLU 23 2HG GLU 23 -19.921 -1.046 -10.221 174 2HG GLU 23 1HG GLU 23 -19.512 -1.544 -8.580 175 H CYS 24 H CYS 24 -17.099 1.573 -7.160 176 HA CYS 24 HA CYS 24 -16.918 4.275 -7.966 177 1HB CYS 24 2HB CYS 24 -17.273 3.548 -5.623 178 2HB CYS 24 1HB CYS 24 -15.625 2.933 -5.583 179 HG CYS 24 HG CYS 24 -15.159 5.677 -6.183 180 H ALA 25 H ALA 25 -14.614 1.638 -7.881 181 HA ALA 25 HA ALA 25 -12.280 3.223 -8.236 182 1HB ALA 25 1HB ALA 25 -11.163 1.131 -8.744 183 2HB ALA 25 2HB ALA 25 -12.718 0.318 -8.935 184 3HB ALA 25 3HB ALA 25 -12.223 0.920 -7.352 185 H THR 26 H THR 26 -14.567 1.618 -10.365 186 HA THR 26 HA THR 26 -13.182 1.935 -12.766 187 HB THR 26 HB THR 26 -16.164 1.872 -12.283 188 HG1 THR 26 1HG THR 26 -15.986 -0.251 -12.345 189 1HG2 THR 26 1HG2 THR 26 -16.571 1.811 -14.467 190 2HG2 THR 26 2HG2 THR 26 -15.190 0.761 -14.788 191 3HG2 THR 26 3HG2 THR 26 -14.963 2.506 -14.658 192 H GLN 27 H GLN 27 -15.603 3.984 -11.205 193 HA GLN 27 HA GLN 27 -15.691 6.014 -13.132 194 1HB GLN 27 2HB GLN 27 -16.072 6.236 -10.138 195 2HB GLN 27 1HB GLN 27 -16.561 7.445 -11.317 196 1HG GLN 27 2HG GLN 27 -18.118 5.853 -12.312 197 2HG GLN 27 1HG GLN 27 -17.626 4.637 -11.135 198 1HE2 GLN 27 1HE2 GLN 27 -19.963 6.784 -11.845 199 2HE2 GLN 27 2HE2 GLN 27 -20.579 7.100 -10.262 200 H ALA 28 H ALA 28 -13.588 5.502 -10.358 201 HA ALA 28 HA ALA 28 -12.212 7.911 -10.311 202 1HB ALA 28 1HB ALA 28 -10.679 5.420 -9.835 203 2HB ALA 28 2HB ALA 28 -12.098 5.713 -8.831 204 3HB ALA 28 3HB ALA 28 -10.784 6.888 -8.866 205 H LEU 29 H LEU 29 -11.541 4.976 -12.198 206 HA LEU 29 HA LEU 29 -9.163 5.855 -13.373 207 1HB LEU 29 2HB LEU 29 -11.230 3.867 -14.257 208 2HB LEU 29 1HB LEU 29 -9.775 4.175 -15.190 209 HG LEU 29 HG LEU 29 -9.709 3.336 -12.306 210 1HD1 LEU 29 1HD1 LEU 29 -8.904 1.136 -13.615 211 2HD1 LEU 29 2HD1 LEU 29 -10.096 1.742 -14.764 212 3HD1 LEU 29 3HD1 LEU 29 -10.571 1.395 -13.101 213 1HD2 LEU 29 1HD2 LEU 29 -7.412 2.810 -12.746 214 2HD2 LEU 29 2HD2 LEU 29 -7.719 4.469 -13.261 215 3HD2 LEU 29 3HD2 LEU 29 -7.610 3.177 -14.458 216 H GLU 30 H GLU 30 -12.491 5.987 -14.593 217 HA GLU 30 HA GLU 30 -11.806 7.343 -16.994 218 1HB GLU 30 2HB GLU 30 -14.230 7.754 -17.208 219 2HB GLU 30 1HB GLU 30 -13.866 6.074 -16.841 220 1HG GLU 30 2HG GLU 30 -14.446 6.451 -14.507 221 2HG GLU 30 1HG GLU 30 -14.796 8.142 -14.863 222 H LYS 31 H LYS 31 -12.560 8.409 -13.762 223 HA LYS 31 HA LYS 31 -12.929 11.159 -14.535 224 1HB LYS 31 2HB LYS 31 -12.790 9.796 -11.851 225 2HB LYS 31 1HB LYS 31 -12.999 11.532 -12.039 226 1HG LYS 31 2HG LYS 31 -15.078 11.163 -13.250 227 2HG LYS 31 1HG LYS 31 -14.864 9.419 -13.101 228 1HD LYS 31 2HD LYS 31 -14.979 9.606 -10.669 229 2HD LYS 31 1HD LYS 31 -15.161 11.356 -10.806 230 1HE LYS 31 2HE LYS 31 -17.073 9.288 -11.885 231 2HE LYS 31 1HE LYS 31 -17.314 10.258 -10.433 232 1HZ LYS 31 1HZ LYS 31 -16.795 12.091 -12.386 233 2HZ LYS 31 2HZ LYS 31 -18.320 11.704 -11.767 234 3HZ LYS 31 3HZ LYS 31 -17.761 10.945 -13.172 235 H TYR 32 H TYR 32 -10.339 9.186 -13.190 236 HA TYR 32 HA TYR 32 -8.598 11.544 -13.423 237 1HB TYR 32 2HB TYR 32 -8.403 9.415 -11.288 238 2HB TYR 32 1HB TYR 32 -7.324 10.794 -11.474 239 HD1 TYR 32 1HD TYR 32 -10.992 10.134 -11.159 240 HD2 TYR 32 2HD TYR 32 -7.694 12.594 -10.086 241 HE1 TYR 32 1HE TYR 32 -12.468 11.472 -9.719 242 HE2 TYR 32 2HE TYR 32 -9.159 13.939 -8.639 243 HH TYR 32 HH TYR 32 -12.572 13.664 -8.719 244 H ASN 33 H ASN 33 -8.676 7.997 -13.352 245 HA ASN 33 HA ASN 33 -7.486 6.435 -14.503 246 1HB ASN 33 2HB ASN 33 -8.003 7.810 -16.491 247 2HB ASN 33 1HB ASN 33 -6.562 8.773 -16.193 248 1HD2 ASN 33 1HD2 ASN 33 -4.931 8.259 -17.435 249 2HD2 ASN 33 2HD2 ASN 33 -4.567 6.690 -18.055 250 H ILE 34 H ILE 34 -6.402 7.304 -12.155 251 HA ILE 34 HA ILE 34 -3.573 6.831 -12.626 252 HB ILE 34 HB ILE 34 -4.509 9.248 -11.073 253 1HG1 ILE 34 2HG1 ILE 34 -2.973 9.033 -13.672 254 2HG1 ILE 34 1HG1 ILE 34 -4.629 9.599 -13.490 255 1HG2 ILE 34 1HG2 ILE 34 -1.689 9.177 -11.587 256 2HG2 ILE 34 2HG2 ILE 34 -2.184 7.701 -10.759 257 3HG2 ILE 34 3HG2 ILE 34 -2.539 9.273 -10.045 258 1HD1 ILE 34 1HD1 ILE 34 -2.658 11.287 -13.728 259 2HD1 ILE 34 2HD1 ILE 34 -2.459 10.985 -12.002 260 3HD1 ILE 34 3HD1 ILE 34 -3.988 11.614 -12.616 261 H GLU 35 H GLU 35 -2.923 5.341 -11.223 262 HA GLU 35 HA GLU 35 -4.446 4.103 -9.340 263 1HB GLU 35 2HB GLU 35 -2.413 3.161 -8.403 264 2HB GLU 35 1HB GLU 35 -2.303 3.222 -10.154 265 1HG GLU 35 2HG GLU 35 -1.078 5.291 -8.349 266 2HG GLU 35 1HG GLU 35 -0.228 3.853 -8.900 267 H LYS 36 H LYS 36 -2.264 6.842 -8.755 268 HA LYS 36 HA LYS 36 -2.658 6.932 -5.953 269 1HB LYS 36 2HB LYS 36 -0.774 8.032 -7.144 270 2HB LYS 36 1HB LYS 36 -1.911 9.195 -7.811 271 1HG LYS 36 2HG LYS 36 -2.503 9.680 -5.343 272 2HG LYS 36 1HG LYS 36 -0.968 8.881 -4.992 273 1HD LYS 36 2HD LYS 36 -0.522 11.212 -5.146 274 2HD LYS 36 1HD LYS 36 0.109 10.467 -6.616 275 1HE LYS 36 2HE LYS 36 -1.058 12.514 -7.171 276 2HE LYS 36 1HE LYS 36 -1.942 11.128 -7.805 277 1HZ LYS 36 1HZ LYS 36 -2.705 12.028 -5.148 278 2HZ LYS 36 2HZ LYS 36 -3.669 11.482 -6.426 279 3HZ LYS 36 3HZ LYS 36 -3.092 13.071 -6.424 280 H ASP 37 H ASP 37 -4.036 8.913 -8.571 281 HA ASP 37 HA ASP 37 -5.736 10.479 -7.037 282 1HB ASP 37 2HB ASP 37 -6.142 9.499 -9.869 283 2HB ASP 37 1HB ASP 37 -7.015 10.833 -9.123 284 H ILE 38 H ILE 38 -6.380 7.345 -8.571 285 HA ILE 38 HA ILE 38 -9.075 7.078 -8.032 286 HB ILE 38 HB ILE 38 -6.935 4.942 -7.984 287 1HG1 ILE 38 2HG1 ILE 38 -8.855 5.754 -10.173 288 2HG1 ILE 38 1HG1 ILE 38 -7.161 6.213 -10.104 289 1HG2 ILE 38 1HG2 ILE 38 -9.823 4.383 -8.520 290 2HG2 ILE 38 2HG2 ILE 38 -9.215 4.415 -6.868 291 3HG2 ILE 38 3HG2 ILE 38 -8.543 3.278 -8.032 292 1HD1 ILE 38 1HD1 ILE 38 -8.404 3.670 -10.875 293 2HD1 ILE 38 2HD1 ILE 38 -6.937 3.541 -9.903 294 3HD1 ILE 38 3HD1 ILE 38 -6.908 4.423 -11.429 295 H ALA 39 H ALA 39 -6.362 6.047 -5.985 296 HA ALA 39 HA ALA 39 -7.937 5.164 -3.826 297 1HB ALA 39 1HB ALA 39 -5.617 4.464 -4.184 298 2HB ALA 39 2HB ALA 39 -5.864 5.115 -2.564 299 3HB ALA 39 3HB ALA 39 -5.072 6.096 -3.797 300 H ALA 40 H ALA 40 -6.751 8.346 -4.694 301 HA ALA 40 HA ALA 40 -6.995 9.518 -2.128 302 1HB ALA 40 1HB ALA 40 -7.418 11.277 -4.443 303 2HB ALA 40 2HB ALA 40 -5.934 10.327 -4.471 304 3HB ALA 40 3HB ALA 40 -6.267 11.400 -3.113 305 H HIS 41 H HIS 41 -9.078 10.072 -4.968 306 HA HIS 41 HA HIS 41 -11.111 11.349 -3.533 307 1HB HIS 41 2HB HIS 41 -12.095 11.613 -5.550 308 2HB HIS 41 1HB HIS 41 -10.578 10.974 -6.168 309 HD1 HIS 41 1HD HIS 41 -14.030 9.743 -5.203 310 HD2 HIS 41 2HD HIS 41 -10.841 8.707 -7.656 311 HE1 HIS 41 1HE HIS 41 -14.838 7.787 -6.557 312 HE2 HIS 41 2HE HIS 41 -12.968 7.319 -8.170 313 H ILE 42 H ILE 42 -10.890 7.963 -4.634 314 HA ILE 42 HA ILE 42 -13.366 7.118 -3.661 315 HB ILE 42 HB ILE 42 -10.829 5.498 -3.931 316 1HG1 ILE 42 2HG1 ILE 42 -13.147 5.885 -5.827 317 2HG1 ILE 42 1HG1 ILE 42 -11.535 6.564 -6.023 318 1HG2 ILE 42 1HG2 ILE 42 -13.696 4.605 -3.687 319 2HG2 ILE 42 2HG2 ILE 42 -12.423 4.375 -2.488 320 3HG2 ILE 42 3HG2 ILE 42 -12.325 3.555 -4.046 321 1HD1 ILE 42 1HD1 ILE 42 -10.843 4.025 -5.827 322 2HD1 ILE 42 2HD1 ILE 42 -11.341 4.746 -7.356 323 3HD1 ILE 42 3HD1 ILE 42 -12.489 3.795 -6.413 324 H LYS 43 H LYS 43 -10.228 7.328 -2.053 325 HA LYS 43 HA LYS 43 -10.852 5.954 0.290 326 1HB LYS 43 2HB LYS 43 -8.578 6.606 -0.247 327 2HB LYS 43 1HB LYS 43 -8.998 8.308 -0.105 328 1HG LYS 43 2HG LYS 43 -7.792 7.466 1.856 329 2HG LYS 43 1HG LYS 43 -9.414 8.036 2.263 330 1HD LYS 43 2HD LYS 43 -8.852 5.907 3.373 331 2HD LYS 43 1HD LYS 43 -10.242 5.765 2.295 332 1HE LYS 43 2HE LYS 43 -8.743 3.856 2.036 333 2HE LYS 43 1HE LYS 43 -8.809 4.815 0.560 334 1HZ LYS 43 1HZ LYS 43 -6.729 5.822 2.111 335 2HZ LYS 43 2HZ LYS 43 -6.619 4.986 0.645 336 3HZ LYS 43 3HZ LYS 43 -6.564 4.141 2.107 337 H LYS 44 H LYS 44 -11.048 9.459 -0.344 338 HA LYS 44 HA LYS 44 -12.084 10.164 2.156 339 1HB LYS 44 2HB LYS 44 -12.545 11.516 -0.509 340 2HB LYS 44 1HB LYS 44 -12.835 12.244 1.065 341 1HG LYS 44 2HG LYS 44 -10.460 12.078 1.590 342 2HG LYS 44 1HG LYS 44 -10.163 11.328 0.019 343 1HD LYS 44 2HD LYS 44 -10.974 13.356 -1.094 344 2HD LYS 44 1HD LYS 44 -11.264 14.102 0.479 345 1HE LYS 44 2HE LYS 44 -8.877 13.937 0.994 346 2HE LYS 44 1HE LYS 44 -8.589 13.184 -0.573 347 1HZ LYS 44 1HZ LYS 44 -9.359 15.209 -1.646 348 2HZ LYS 44 2HZ LYS 44 -8.062 15.539 -0.613 349 3HZ LYS 44 3HZ LYS 44 -9.638 15.930 -0.141 350 H GLU 45 H GLU 45 -13.765 9.195 -0.805 351 HA GLU 45 HA GLU 45 -16.368 9.769 -0.013 352 1HB GLU 45 2HB GLU 45 -15.362 7.521 -1.764 353 2HB GLU 45 1HB GLU 45 -17.050 7.985 -1.617 354 1HG GLU 45 2HG GLU 45 -14.842 9.763 -2.625 355 2HG GLU 45 1HG GLU 45 -15.990 8.889 -3.633 356 H PHE 46 H PHE 46 -14.553 6.723 0.400 357 HA PHE 46 HA PHE 46 -16.642 5.446 1.828 358 1HB PHE 46 2HB PHE 46 -13.716 4.839 1.530 359 2HB PHE 46 1HB PHE 46 -14.780 3.851 2.520 360 HD1 PHE 46 1HD PHE 46 -17.127 3.372 1.147 361 HD2 PHE 46 2HD PHE 46 -13.247 3.917 -0.513 362 HE1 PHE 46 1HE PHE 46 -17.799 2.079 -0.833 363 HE2 PHE 46 2HE PHE 46 -13.913 2.624 -2.499 364 HZ PHE 46 HZ PHE 46 -16.191 1.702 -2.662 365 H ASP 47 H ASP 47 -13.664 7.056 2.908 366 HA ASP 47 HA ASP 47 -13.875 6.521 5.619 367 1HB ASP 47 2HB ASP 47 -12.795 9.014 4.291 368 2HB ASP 47 1HB ASP 47 -12.489 8.540 5.958 369 H LYS 48 H LYS 48 -15.360 9.096 3.727 370 HA LYS 48 HA LYS 48 -16.514 10.405 5.980 371 1HB LYS 48 2HB LYS 48 -15.994 11.667 3.995 372 2HB LYS 48 1HB LYS 48 -17.030 10.636 3.019 373 1HG LYS 48 2HG LYS 48 -18.085 12.769 3.474 374 2HG LYS 48 1HG LYS 48 -18.984 11.444 4.215 375 1HD LYS 48 2HD LYS 48 -18.811 13.346 5.739 376 2HD LYS 48 1HD LYS 48 -17.946 11.944 6.373 377 1HE LYS 48 2HE LYS 48 -15.836 12.884 5.563 378 2HE LYS 48 1HE LYS 48 -16.702 14.282 4.927 379 1HZ LYS 48 1HZ LYS 48 -17.509 14.291 7.468 380 2HZ LYS 48 2HZ LYS 48 -16.166 15.155 6.909 381 3HZ LYS 48 3HZ LYS 48 -15.953 13.653 7.654 382 H LYS 49 H LYS 49 -17.747 8.180 3.520 383 HA LYS 49 HA LYS 49 -20.426 8.270 4.533 384 1HB LYS 49 2HB LYS 49 -19.162 6.343 2.586 385 2HB LYS 49 1HB LYS 49 -20.885 6.505 2.895 386 1HG LYS 49 2HG LYS 49 -20.819 8.801 2.059 387 2HG LYS 49 1HG LYS 49 -19.093 8.629 1.743 388 1HD LYS 49 2HD LYS 49 -20.388 8.307 -0.298 389 2HD LYS 49 1HD LYS 49 -19.561 6.819 0.163 390 1HE LYS 49 2HE LYS 49 -21.628 5.969 1.148 391 2HE LYS 49 1HE LYS 49 -22.455 7.465 0.716 392 1HZ LYS 49 1HZ LYS 49 -21.124 6.077 -1.461 393 2HZ LYS 49 2HZ LYS 49 -22.626 6.852 -1.428 394 3HZ LYS 49 3HZ LYS 49 -22.470 5.289 -0.804 395 H TYR 50 H TYR 50 -18.339 5.435 4.135 396 HA TYR 50 HA TYR 50 -19.787 3.967 6.095 397 1HB TYR 50 2HB TYR 50 -17.208 3.334 4.670 398 2HB TYR 50 1HB TYR 50 -18.086 2.203 5.693 399 HD1 TYR 50 1HD TYR 50 -17.728 1.016 3.299 400 HD2 TYR 50 2HD TYR 50 -20.516 4.131 4.094 401 HE1 TYR 50 1HE TYR 50 -19.060 0.313 1.360 402 HE2 TYR 50 2HE TYR 50 -21.854 3.436 2.159 403 HH TYR 50 HH TYR 50 -20.818 1.658 -0.252 404 H ASN 51 H ASN 51 -17.230 6.172 6.355 405 HA ASN 51 HA ASN 51 -16.358 7.027 8.318 406 1HB ASN 51 2HB ASN 51 -17.080 4.398 9.635 407 2HB ASN 51 1HB ASN 51 -16.438 5.820 10.440 408 1HD2 ASN 51 1HD2 ASN 51 -18.344 7.220 8.275 409 2HD2 ASN 51 2HD2 ASN 51 -19.841 7.251 9.131 410 HA PRO 52 HA PRO 52 -12.341 5.495 7.507 411 1HB PRO 52 2HB PRO 52 -10.972 6.571 9.620 412 2HB PRO 52 1HB PRO 52 -11.491 7.505 8.213 413 1HG PRO 52 2HG PRO 52 -12.783 7.257 10.903 414 2HG PRO 52 1HG PRO 52 -12.537 8.704 9.909 415 1HD PRO 52 2HD PRO 52 -14.911 7.443 10.016 416 2HD PRO 52 1HD PRO 52 -14.327 8.217 8.530 417 H THR 53 H THR 53 -10.890 3.100 9.785 418 HA THR 53 HA THR 53 -10.480 5.298 7.874 419 HB THR 53 HB THR 53 -9.056 5.413 9.884 420 HG1 THR 53 1HG THR 53 -8.296 6.040 7.729 421 1HG2 THR 53 1HG2 THR 53 -7.298 3.824 10.278 422 2HG2 THR 53 2HG2 THR 53 -7.841 2.838 8.920 423 3HG2 THR 53 3HG2 THR 53 -8.861 3.010 10.349 424 H TRP 54 H TRP 54 -10.288 4.745 5.829 425 HA TRP 54 HA TRP 54 -9.894 1.940 5.156 426 1HB TRP 54 2HB TRP 54 -10.670 4.293 3.439 427 2HB TRP 54 1HB TRP 54 -10.570 2.627 2.882 428 HD1 TRP 54 HD TRP 54 -12.400 4.449 5.789 429 HE1 TRP 54 1HE TRP 54 -14.786 3.500 5.927 430 HE3 TRP 54 3HE TRP 54 -12.119 1.027 2.004 431 HZ2 TRP 54 2HZ TRP 54 -16.343 1.548 4.599 432 HZ3 TRP 54 3HZ TRP 54 -14.100 -0.343 1.502 433 HH2 TRP 54 HH TRP 54 -16.168 -0.089 2.775 434 H HIS 55 H HIS 55 -8.219 1.119 4.070 435 HA HIS 55 HA HIS 55 -5.989 2.939 3.441 436 1HB HIS 55 2HB HIS 55 -5.777 -0.028 3.936 437 2HB HIS 55 1HB HIS 55 -4.489 1.177 3.975 438 HD1 HIS 55 1HD HIS 55 -5.297 3.199 5.898 439 HD2 HIS 55 2HD HIS 55 -6.364 -0.771 6.452 440 HE1 HIS 55 1HE HIS 55 -5.787 2.982 8.349 441 HE2 HIS 55 2HE HIS 55 -6.315 0.538 8.687 442 H CYS 56 H CYS 56 -5.230 2.957 1.335 443 HA CYS 56 HA CYS 56 -6.290 0.878 -0.456 444 1HB CYS 56 2HB CYS 56 -7.716 2.860 -0.650 445 2HB CYS 56 1HB CYS 56 -6.306 3.842 -1.033 446 HG CYS 56 HG CYS 56 -7.847 2.125 -2.984 447 H ILE 57 H ILE 57 -5.127 0.365 -2.242 448 HA ILE 57 HA ILE 57 -2.590 1.682 -2.789 449 HB ILE 57 HB ILE 57 -2.737 -1.288 -2.225 450 1HG1 ILE 57 2HG1 ILE 57 -2.889 0.051 -0.155 451 2HG1 ILE 57 1HG1 ILE 57 -1.372 -0.838 -0.252 452 1HG2 ILE 57 1HG2 ILE 57 -1.121 -0.786 -3.932 453 2HG2 ILE 57 2HG2 ILE 57 -0.270 -1.167 -2.435 454 3HG2 ILE 57 3HG2 ILE 57 -0.432 0.511 -2.955 455 1HD1 ILE 57 1HD1 ILE 57 -1.481 1.979 -1.204 456 2HD1 ILE 57 2HD1 ILE 57 -0.124 1.063 -0.550 457 3HD1 ILE 57 3HD1 ILE 57 -1.400 1.641 0.523 458 H VAL 58 H VAL 58 -2.069 1.560 -4.959 459 HA VAL 58 HA VAL 58 -3.369 -0.416 -6.648 460 HB VAL 58 HB VAL 58 -3.810 2.535 -7.142 461 1HG1 VAL 58 1HG1 VAL 58 -5.074 0.209 -8.570 462 2HG1 VAL 58 2HG1 VAL 58 -3.607 1.005 -9.141 463 3HG1 VAL 58 3HG1 VAL 58 -5.114 1.915 -9.016 464 1HG2 VAL 58 1HG2 VAL 58 -5.193 1.955 -5.314 465 2HG2 VAL 58 2HG2 VAL 58 -5.641 0.415 -6.046 466 3HG2 VAL 58 3HG2 VAL 58 -6.228 1.924 -6.743 467 H GLY 59 H GLY 59 -2.158 -0.926 -8.398 468 1HA GLY 59 2HA GLY 59 -0.465 0.810 -9.801 469 2HA GLY 59 1HA GLY 59 0.502 0.011 -8.571 470 H ARG 60 H ARG 60 1.754 -1.274 -9.836 471 HA ARG 60 HA ARG 60 0.504 -3.621 -10.962 472 1HB ARG 60 2HB ARG 60 2.066 -1.786 -12.788 473 2HB ARG 60 1HB ARG 60 1.410 -3.358 -13.218 474 1HG ARG 60 2HG ARG 60 -0.858 -2.496 -12.873 475 2HG ARG 60 1HG ARG 60 -0.185 -0.915 -12.476 476 1HD ARG 60 2HD ARG 60 0.858 -0.837 -14.715 477 2HD ARG 60 1HD ARG 60 0.081 -2.371 -15.103 478 HE ARG 60 HE ARG 60 -1.809 -1.199 -15.572 479 1HH1 ARG 60 1HH1 ARG 60 0.132 0.726 -13.401 480 2HH1 ARG 60 2HH1 ARG 60 -0.980 2.052 -13.386 481 1HH2 ARG 60 1HH2 ARG 60 -3.268 0.548 -15.555 482 2HH2 ARG 60 2HH2 ARG 60 -2.909 1.952 -14.608 483 H ASN 61 H ASN 61 2.362 -3.141 -8.865 484 HA ASN 61 HA ASN 61 4.156 -5.161 -9.079 485 1HB ASN 61 2HB ASN 61 5.314 -4.142 -10.909 486 2HB ASN 61 1HB ASN 61 5.356 -2.583 -10.098 487 1HD2 ASN 61 1HD2 ASN 61 7.243 -2.070 -9.301 488 2HD2 ASN 61 2HD2 ASN 61 8.451 -3.166 -8.732 489 H PHE 62 H PHE 62 3.328 -5.101 -6.899 490 HA PHE 62 HA PHE 62 5.109 -3.707 -5.105 491 1HB PHE 62 2HB PHE 62 3.418 -2.446 -3.915 492 2HB PHE 62 1HB PHE 62 3.420 -1.977 -5.611 493 HD1 PHE 62 1HD PHE 62 1.758 -3.541 -7.077 494 HD2 PHE 62 2HD PHE 62 1.363 -2.646 -2.938 495 HE1 PHE 62 1HE PHE 62 -0.651 -4.015 -7.210 496 HE2 PHE 62 2HE PHE 62 -1.049 -3.120 -3.063 497 HZ PHE 62 HZ PHE 62 -2.058 -3.805 -5.201 498 H GLY 63 H GLY 63 5.316 -4.649 -3.196 499 1HA GLY 63 2HA GLY 63 3.444 -6.832 -2.495 500 2HA GLY 63 1HA GLY 63 5.183 -6.955 -2.246 501 H SER 64 H SER 64 2.581 -6.733 -0.440 502 HA SER 64 HA SER 64 3.968 -5.212 1.593 503 1HB SER 64 2HB SER 64 2.146 -3.581 1.917 504 2HB SER 64 1HB SER 64 2.916 -3.421 0.341 505 HG SER 64 HG SER 64 0.533 -4.887 0.802 506 H TYR 65 H TYR 65 2.757 -4.995 3.600 507 HA TYR 65 HA TYR 65 0.761 -7.086 4.068 508 1HB TYR 65 2HB TYR 65 3.347 -6.687 5.560 509 2HB TYR 65 1HB TYR 65 1.960 -7.461 6.319 510 HD1 TYR 65 1HD TYR 65 3.941 -7.707 3.152 511 HD2 TYR 65 2HD TYR 65 1.856 -9.746 6.245 512 HE1 TYR 65 1HE TYR 65 4.589 -9.861 2.164 513 HE2 TYR 65 2HE TYR 65 2.497 -11.904 5.272 514 HH TYR 65 HH TYR 65 3.256 -12.525 2.509 515 H VAL 66 H VAL 66 -0.743 -6.583 5.650 516 HA VAL 66 HA VAL 66 -0.466 -4.163 7.231 517 HB VAL 66 HB VAL 66 -2.811 -4.371 5.358 518 1HG1 VAL 66 1HG1 VAL 66 -3.198 -2.979 7.265 519 2HG1 VAL 66 2HG1 VAL 66 -2.984 -1.941 5.859 520 3HG1 VAL 66 3HG1 VAL 66 -1.671 -2.133 7.017 521 1HG2 VAL 66 1HG2 VAL 66 -0.858 -4.184 3.939 522 2HG2 VAL 66 2HG2 VAL 66 -0.253 -2.833 4.898 523 3HG2 VAL 66 3HG2 VAL 66 -1.729 -2.651 3.952 524 H THR 67 H THR 67 -2.335 -3.872 8.706 525 HA THR 67 HA THR 67 -3.763 -6.414 9.174 526 HB THR 67 HB THR 67 -2.813 -4.392 11.219 527 HG1 THR 67 1HG THR 67 -1.179 -5.675 11.524 528 1HG2 THR 67 1HG2 THR 67 -4.781 -6.508 11.414 529 2HG2 THR 67 2HG2 THR 67 -4.395 -5.209 12.542 530 3HG2 THR 67 3HG2 THR 67 -3.455 -6.701 12.560 531 H HIS 68 H HIS 68 -5.957 -6.290 9.739 532 HA HIS 68 HA HIS 68 -7.263 -3.747 10.066 533 1HB HIS 68 2HB HIS 68 -8.587 -3.938 7.965 534 2HB HIS 68 1HB HIS 68 -6.868 -3.661 7.684 535 HD1 HIS 68 1HD HIS 68 -9.412 -6.456 7.621 536 HD2 HIS 68 2HD HIS 68 -5.589 -5.608 6.234 537 HE1 HIS 68 1HE HIS 68 -8.789 -8.390 6.146 538 HE2 HIS 68 2HE HIS 68 -6.438 -7.903 5.395 539 H GLU 69 H GLU 69 -9.398 -3.914 10.682 540 HA GLU 69 HA GLU 69 -10.207 -6.214 12.037 541 1HB GLU 69 2HB GLU 69 -11.047 -4.006 12.600 542 2HB GLU 69 1HB GLU 69 -11.833 -3.871 11.033 543 1HG GLU 69 2HG GLU 69 -13.437 -4.374 12.767 544 2HG GLU 69 1HG GLU 69 -13.323 -5.704 11.616 545 H THR 70 H THR 70 -11.603 -7.875 11.562 546 HA THR 70 HA THR 70 -11.731 -8.853 8.961 547 HB THR 70 HB THR 70 -13.455 -10.423 9.829 548 HG1 THR 70 1HG THR 70 -14.361 -8.792 11.300 549 1HG2 THR 70 1HG2 THR 70 -11.138 -10.016 11.700 550 2HG2 THR 70 2HG2 THR 70 -11.129 -10.972 10.218 551 3HG2 THR 70 3HG2 THR 70 -12.132 -11.468 11.582 552 H LYS 71 H LYS 71 -13.499 -9.161 7.527 553 HA LYS 71 HA LYS 71 -15.242 -8.450 6.255 554 1HB LYS 71 2HB LYS 71 -16.223 -7.646 8.987 555 2HB LYS 71 1HB LYS 71 -17.179 -7.372 7.537 556 1HG LYS 71 2HG LYS 71 -17.784 -9.435 8.760 557 2HG LYS 71 1HG LYS 71 -17.294 -9.721 7.090 558 1HD LYS 71 2HD LYS 71 -15.071 -10.386 7.856 559 2HD LYS 71 1HD LYS 71 -15.554 -10.088 9.528 560 1HE LYS 71 2HE LYS 71 -16.779 -12.112 7.656 561 2HE LYS 71 1HE LYS 71 -15.660 -12.467 8.972 562 1HZ LYS 71 1HZ LYS 71 -17.424 -11.291 10.412 563 2HZ LYS 71 2HZ LYS 71 -17.708 -12.882 9.913 564 3HZ LYS 71 3HZ LYS 71 -18.471 -11.598 9.118 565 H HIS 72 H HIS 72 -12.984 -6.852 6.343 566 HA HIS 72 HA HIS 72 -14.081 -4.354 5.424 567 1HB HIS 72 2HB HIS 72 -12.256 -4.402 7.836 568 2HB HIS 72 1HB HIS 72 -12.657 -2.956 6.920 569 HD1 HIS 72 1HD HIS 72 -15.519 -2.773 6.721 570 HD2 HIS 72 2HD HIS 72 -13.774 -4.545 10.050 571 HE1 HIS 72 1HE HIS 72 -17.267 -2.676 8.528 572 HE2 HIS 72 2HE HIS 72 -16.218 -3.827 10.507 573 H PHE 73 H PHE 73 -12.800 -6.233 3.949 574 HA PHE 73 HA PHE 73 -10.515 -4.770 3.016 575 1HB PHE 73 2HB PHE 73 -9.441 -6.111 4.738 576 2HB PHE 73 1HB PHE 73 -10.149 -7.579 4.071 577 HD1 PHE 73 1HD PHE 73 -9.532 -8.107 1.594 578 HD2 PHE 73 2HD PHE 73 -7.316 -5.485 4.108 579 HE1 PHE 73 1HE PHE 73 -7.564 -8.388 0.145 580 HE2 PHE 73 2HE PHE 73 -5.344 -5.764 2.665 581 HZ PHE 73 HZ PHE 73 -5.467 -7.215 0.679 582 H ILE 74 H ILE 74 -9.920 -5.245 0.916 583 HA ILE 74 HA ILE 74 -11.051 -7.465 -0.510 584 HB ILE 74 HB ILE 74 -13.013 -6.036 -0.482 585 1HG1 ILE 74 2HG1 ILE 74 -11.609 -6.039 -3.165 586 2HG1 ILE 74 1HG1 ILE 74 -12.614 -7.330 -2.514 587 1HG2 ILE 74 1HG2 ILE 74 -12.120 -3.886 -0.083 588 2HG2 ILE 74 2HG2 ILE 74 -12.887 -3.810 -1.670 589 3HG2 ILE 74 3HG2 ILE 74 -11.132 -3.944 -1.542 590 1HD1 ILE 74 1HD1 ILE 74 -13.367 -4.847 -3.853 591 2HD1 ILE 74 2HD1 ILE 74 -14.319 -5.222 -2.419 592 3HD1 ILE 74 3HD1 ILE 74 -14.219 -6.385 -3.741 593 H TYR 75 H TYR 75 -10.100 -7.805 -2.485 594 HA TYR 75 HA TYR 75 -8.194 -5.816 -3.500 595 1HB TYR 75 2HB TYR 75 -7.069 -7.573 -1.990 596 2HB TYR 75 1HB TYR 75 -7.434 -8.729 -3.266 597 HD1 TYR 75 1HD TYR 75 -6.729 -7.711 -5.723 598 HD2 TYR 75 2HD TYR 75 -4.925 -6.771 -1.986 599 HE1 TYR 75 1HE TYR 75 -4.668 -7.051 -6.888 600 HE2 TYR 75 2HE TYR 75 -2.858 -6.112 -3.142 601 HH TYR 75 HH TYR 75 -2.649 -5.390 -6.266 602 H PHE 76 H PHE 76 -8.205 -5.717 -5.736 603 HA PHE 76 HA PHE 76 -9.051 -7.945 -7.332 604 1HB PHE 76 2HB PHE 76 -11.106 -6.920 -8.203 605 2HB PHE 76 1HB PHE 76 -11.218 -7.244 -6.478 606 HD1 PHE 76 1HD PHE 76 -10.345 -4.507 -8.855 607 HD2 PHE 76 2HD PHE 76 -11.981 -5.584 -5.076 608 HE1 PHE 76 1HE PHE 76 -10.967 -2.162 -8.459 609 HE2 PHE 76 2HE PHE 76 -12.608 -3.238 -4.676 610 HZ PHE 76 HZ PHE 76 -12.101 -1.524 -6.370 611 H TYR 77 H TYR 77 -8.568 -7.733 -9.469 612 HA TYR 77 HA TYR 77 -7.123 -5.310 -10.245 613 1HB TYR 77 2HB TYR 77 -7.305 -7.997 -11.625 614 2HB TYR 77 1HB TYR 77 -6.326 -6.643 -12.168 615 HD1 TYR 77 1HD TYR 77 -6.844 -8.646 -9.046 616 HD2 TYR 77 2HD TYR 77 -4.088 -6.726 -11.657 617 HE1 TYR 77 1HE TYR 77 -4.979 -9.455 -7.665 618 HE2 TYR 77 2HE TYR 77 -2.215 -7.529 -10.284 619 HH TYR 77 HH TYR 77 -2.217 -9.893 -8.374 620 H LEU 78 H LEU 78 -7.684 -4.115 -12.087 621 HA LEU 78 HA LEU 78 -10.050 -4.859 -13.585 622 1HB LEU 78 2HB LEU 78 -11.055 -3.746 -11.714 623 2HB LEU 78 1HB LEU 78 -9.937 -2.403 -11.845 624 HG LEU 78 HG LEU 78 -10.958 -1.692 -13.925 625 1HD1 LEU 78 1HD1 LEU 78 -13.292 -3.331 -13.977 626 2HD1 LEU 78 2HD1 LEU 78 -11.861 -4.357 -14.038 627 3HD1 LEU 78 3HD1 LEU 78 -12.079 -3.082 -15.232 628 1HD2 LEU 78 1HD2 LEU 78 -12.079 -0.607 -12.263 629 2HD2 LEU 78 2HD2 LEU 78 -12.633 -2.101 -11.507 630 3HD2 LEU 78 3HD2 LEU 78 -13.419 -1.509 -12.970 631 H GLY 79 H GLY 79 -10.116 -4.040 -15.596 632 1HA GLY 79 2HA GLY 79 -9.484 -2.942 -17.503 633 2HA GLY 79 1HA GLY 79 -8.831 -1.680 -16.468 634 H GLN 80 H GLN 80 -6.772 -2.438 -15.279 635 HA GLN 80 HA GLN 80 -5.092 -4.367 -16.327 636 1HB GLN 80 2HB GLN 80 -3.534 -2.971 -17.672 637 2HB GLN 80 1HB GLN 80 -5.117 -3.142 -18.415 638 1HG GLN 80 2HG GLN 80 -5.746 -0.928 -17.597 639 2HG GLN 80 1HG GLN 80 -4.158 -0.756 -16.853 640 1HE2 GLN 80 1HE2 GLN 80 -2.881 0.511 -17.970 641 2HE2 GLN 80 2HE2 GLN 80 -2.814 0.640 -19.691 642 H VAL 81 H VAL 81 -5.777 -3.230 -13.831 643 HA VAL 81 HA VAL 81 -3.130 -2.756 -12.803 644 HB VAL 81 HB VAL 81 -3.398 -0.518 -13.197 645 1HG1 VAL 81 1HG1 VAL 81 -5.722 0.565 -12.464 646 2HG1 VAL 81 2HG1 VAL 81 -6.289 -1.059 -12.849 647 3HG1 VAL 81 3HG1 VAL 81 -5.457 -0.103 -14.074 648 1HG2 VAL 81 1HG2 VAL 81 -3.224 -1.186 -10.665 649 2HG2 VAL 81 2HG2 VAL 81 -4.800 -0.407 -10.578 650 3HG2 VAL 81 3HG2 VAL 81 -3.400 0.498 -11.147 651 H ALA 82 H ALA 82 -2.896 -3.127 -10.691 652 HA ALA 82 HA ALA 82 -4.970 -4.692 -9.425 653 1HB ALA 82 1HB ALA 82 -2.540 -4.010 -7.895 654 2HB ALA 82 2HB ALA 82 -2.289 -4.898 -9.397 655 3HB ALA 82 3HB ALA 82 -3.330 -5.567 -8.140 656 H ILE 83 H ILE 83 -6.252 -4.106 -7.761 657 HA ILE 83 HA ILE 83 -5.828 -1.436 -6.595 658 HB ILE 83 HB ILE 83 -8.492 -2.689 -7.272 659 1HG1 ILE 83 2HG1 ILE 83 -7.030 -0.340 -8.501 660 2HG1 ILE 83 1HG1 ILE 83 -7.283 -1.908 -9.259 661 1HG2 ILE 83 1HG2 ILE 83 -9.308 -0.350 -6.686 662 2HG2 ILE 83 2HG2 ILE 83 -7.741 -0.118 -5.912 663 3HG2 ILE 83 3HG2 ILE 83 -8.825 -1.386 -5.343 664 1HD1 ILE 83 1HD1 ILE 83 -8.845 0.248 -9.661 665 2HD1 ILE 83 2HD1 ILE 83 -9.723 -0.551 -8.357 666 3HD1 ILE 83 3HD1 ILE 83 -9.387 -1.419 -9.856 667 H LEU 84 H LEU 84 -6.219 -1.188 -4.426 668 HA LEU 84 HA LEU 84 -7.102 -3.540 -2.915 669 1HB LEU 84 2HB LEU 84 -4.660 -3.575 -2.928 670 2HB LEU 84 1HB LEU 84 -4.620 -1.925 -2.337 671 HG LEU 84 HG LEU 84 -5.659 -2.652 -0.230 672 1HD1 LEU 84 1HD1 LEU 84 -6.080 -5.083 -1.754 673 2HD1 LEU 84 2HD1 LEU 84 -6.851 -4.531 -0.267 674 3HD1 LEU 84 3HD1 LEU 84 -5.315 -5.396 -0.195 675 1HD2 LEU 84 1HD2 LEU 84 -3.262 -2.547 -0.302 676 2HD2 LEU 84 2HD2 LEU 84 -3.169 -4.138 -1.058 677 3HD2 LEU 84 3HD2 LEU 84 -3.730 -3.984 0.607 678 H LEU 85 H LEU 85 -8.272 -3.103 -1.104 679 HA LEU 85 HA LEU 85 -8.355 -0.465 0.051 680 1HB LEU 85 2HB LEU 85 -9.850 -0.203 -1.877 681 2HB LEU 85 1HB LEU 85 -10.795 -1.579 -1.336 682 HG LEU 85 HG LEU 85 -11.441 -0.340 0.688 683 1HD1 LEU 85 1HD1 LEU 85 -9.831 1.880 -0.556 684 2HD1 LEU 85 2HD1 LEU 85 -9.531 1.079 0.987 685 3HD1 LEU 85 3HD1 LEU 85 -10.959 2.094 0.782 686 1HD2 LEU 85 1HD2 LEU 85 -12.040 1.502 -1.577 687 2HD2 LEU 85 2HD2 LEU 85 -13.110 0.860 -0.330 688 3HD2 LEU 85 3HD2 LEU 85 -12.589 -0.173 -1.662 689 H PHE 86 H PHE 86 -8.974 -0.537 2.155 690 HA PHE 86 HA PHE 86 -10.703 -2.481 3.260 691 1HB PHE 86 2HB PHE 86 -9.041 -3.758 4.579 692 2HB PHE 86 1HB PHE 86 -8.860 -4.011 2.847 693 HD1 PHE 86 1HD PHE 86 -7.129 -2.391 1.681 694 HD2 PHE 86 2HD PHE 86 -7.178 -3.346 5.823 695 HE1 PHE 86 1HE PHE 86 -4.754 -1.772 1.846 696 HE2 PHE 86 2HE PHE 86 -4.809 -2.729 5.999 697 HZ PHE 86 HZ PHE 86 -3.589 -1.942 4.008 698 H LYS 87 H LYS 87 -11.533 -1.614 5.056 699 HA LYS 87 HA LYS 87 -10.157 0.649 6.265 700 1HB LYS 87 2HB LYS 87 -12.254 1.151 7.366 701 2HB LYS 87 1HB LYS 87 -12.527 0.898 5.649 702 1HG LYS 87 2HG LYS 87 -13.406 -1.301 6.057 703 2HG LYS 87 1HG LYS 87 -13.006 -1.178 7.772 704 1HD LYS 87 2HD LYS 87 -14.964 0.579 6.297 705 2HD LYS 87 1HD LYS 87 -15.391 -0.768 7.352 706 1HE LYS 87 2HE LYS 87 -14.292 0.381 9.228 707 2HE LYS 87 1HE LYS 87 -13.916 1.735 8.165 708 1HZ LYS 87 1HZ LYS 87 -16.025 2.480 8.219 709 2HZ LYS 87 2HZ LYS 87 -16.084 1.637 9.684 710 3HZ LYS 87 3HZ LYS 87 -16.707 0.934 8.277 711 H SER 88 H SER 88 -10.355 0.898 8.668 712 HA SER 88 HA SER 88 -10.288 -1.595 10.170 713 1HB SER 88 2HB SER 88 -7.930 0.304 10.066 714 2HB SER 88 1HB SER 88 -8.081 -1.071 11.161 715 HG SER 88 HG SER 88 -6.850 -1.527 9.249 716 H GLY 89 H GLY 89 -11.142 -1.333 12.136 717 1HA GLY 89 2HA GLY 89 -10.826 0.915 13.789 718 2HA GLY 89 1HA GLY 89 -12.343 1.079 12.918 719 1H MET 1 1HT MET 1 28.989 -1.708 5.583 720 2H MET 1 2HT MET 1 27.603 -0.965 4.894 721 3H MET 1 3HT MET 1 27.882 -2.644 4.668 722 HA MET 1 HA MET 1 26.263 -2.540 6.264 723 1HB MET 1 2HB MET 1 28.118 -4.056 6.774 724 2HB MET 1 1HB MET 1 28.963 -2.761 7.613 725 1HG MET 1 2HG MET 1 27.174 -2.664 9.269 726 2HG MET 1 1HG MET 1 26.326 -3.960 8.428 727 1HE MET 1 1HE MET 1 26.521 -4.116 11.141 728 2HE MET 1 2HE MET 1 27.752 -5.111 11.920 729 3HE MET 1 3HE MET 1 26.536 -5.861 10.886 730 H CYS 2 H CYS 2 28.906 -0.329 7.128 731 HA CYS 2 HA CYS 2 27.626 0.918 9.290 732 1HB CYS 2 2HB CYS 2 29.700 2.047 7.399 733 2HB CYS 2 1HB CYS 2 29.259 2.741 8.956 734 HG CYS 2 HG CYS 2 30.156 0.026 9.570 735 H ASP 3 H ASP 3 26.163 2.517 9.447 736 HA ASP 3 HA ASP 3 24.569 4.032 8.871 737 1HB ASP 3 2HB ASP 3 26.362 4.497 6.478 738 2HB ASP 3 1HB ASP 3 25.032 5.542 6.971 739 H ARG 4 H ARG 4 22.587 3.757 8.058 740 HA ARG 4 HA ARG 4 22.061 1.578 6.292 741 1HB ARG 4 2HB ARG 4 20.284 3.713 7.473 742 2HB ARG 4 1HB ARG 4 19.682 2.425 6.442 743 1HG ARG 4 2HG ARG 4 19.313 1.880 8.760 744 2HG ARG 4 1HG ARG 4 20.487 0.765 8.060 745 1HD ARG 4 2HD ARG 4 21.166 1.466 10.293 746 2HD ARG 4 1HD ARG 4 22.308 2.037 9.082 747 HE ARG 4 HE ARG 4 21.843 4.156 9.768 748 1HH1 ARG 4 1HH1 ARG 4 19.138 2.128 10.633 749 2HH1 ARG 4 2HH1 ARG 4 18.258 3.412 11.386 750 1HH2 ARG 4 1HH2 ARG 4 20.688 5.845 10.764 751 2HH2 ARG 4 2HH2 ARG 4 19.135 5.522 11.460 752 H LYS 5 H LYS 5 22.292 1.652 4.165 753 HA LYS 5 HA LYS 5 22.742 3.944 2.662 754 1HB LYS 5 2HB LYS 5 22.501 2.593 0.687 755 2HB LYS 5 1HB LYS 5 23.338 1.660 1.914 756 1HG LYS 5 2HG LYS 5 20.401 1.406 1.306 757 2HG LYS 5 1HG LYS 5 21.655 0.379 0.612 758 1HD LYS 5 2HD LYS 5 20.960 0.648 3.535 759 2HD LYS 5 1HD LYS 5 20.613 -0.731 2.494 760 1HE LYS 5 2HE LYS 5 23.357 0.270 3.244 761 2HE LYS 5 1HE LYS 5 22.562 -1.159 3.897 762 1HZ LYS 5 1HZ LYS 5 24.130 -1.740 2.160 763 2HZ LYS 5 2HZ LYS 5 23.317 -0.751 1.054 764 3HZ LYS 5 3HZ LYS 5 22.553 -2.123 1.682 765 H ALA 6 H ALA 6 19.748 2.381 3.537 766 HA ALA 6 HA ALA 6 17.961 3.395 1.710 767 1HB ALA 6 1HB ALA 6 17.482 1.831 3.629 768 2HB ALA 6 2HB ALA 6 16.256 3.061 3.323 769 3HB ALA 6 3HB ALA 6 17.389 3.257 4.659 770 H VAL 7 H VAL 7 17.092 5.350 1.249 771 HA VAL 7 HA VAL 7 17.998 7.622 2.845 772 HB VAL 7 HB VAL 7 17.310 8.976 0.915 773 1HG1 VAL 7 1HG1 VAL 7 19.610 8.371 1.050 774 2HG1 VAL 7 2HG1 VAL 7 19.115 8.163 -0.630 775 3HG1 VAL 7 3HG1 VAL 7 19.279 6.757 0.422 776 1HG2 VAL 7 1HG2 VAL 7 16.707 7.961 -1.183 777 2HG2 VAL 7 2HG2 VAL 7 15.588 7.416 0.064 778 3HG2 VAL 7 3HG2 VAL 7 16.879 6.349 -0.490 779 H ILE 8 H ILE 8 16.629 9.007 3.810 780 HA ILE 8 HA ILE 8 13.876 8.173 4.128 781 HB ILE 8 HB ILE 8 15.434 10.433 5.391 782 1HG1 ILE 8 2HG1 ILE 8 15.182 9.058 7.441 783 2HG1 ILE 8 1HG1 ILE 8 14.389 7.811 6.486 784 1HG2 ILE 8 1HG2 ILE 8 12.576 9.588 5.839 785 2HG2 ILE 8 2HG2 ILE 8 13.151 11.150 5.256 786 3HG2 ILE 8 3HG2 ILE 8 13.479 10.654 6.917 787 1HD1 ILE 8 1HD1 ILE 8 16.360 7.258 5.367 788 2HD1 ILE 8 2HD1 ILE 8 16.850 7.501 7.044 789 3HD1 ILE 8 3HD1 ILE 8 17.156 8.758 5.844 790 H LYS 9 H LYS 9 12.056 9.340 3.539 791 HA LYS 9 HA LYS 9 12.518 11.644 1.766 792 1HB LYS 9 2HB LYS 9 10.591 9.366 1.294 793 2HB LYS 9 1HB LYS 9 10.696 10.822 0.312 794 1HG LYS 9 2HG LYS 9 12.864 8.764 0.674 795 2HG LYS 9 1HG LYS 9 11.850 8.979 -0.753 796 1HD LYS 9 2HD LYS 9 13.789 11.006 0.360 797 2HD LYS 9 1HD LYS 9 14.052 9.997 -1.063 798 1HE LYS 9 2HE LYS 9 11.876 12.060 -0.731 799 2HE LYS 9 1HE LYS 9 13.347 12.257 -1.681 800 1HZ LYS 9 1HZ LYS 9 10.902 11.021 -2.410 801 2HZ LYS 9 2HZ LYS 9 12.180 9.926 -2.579 802 3HZ LYS 9 3HZ LYS 9 12.230 11.414 -3.381 803 H ASN 10 H ASN 10 10.322 10.017 4.002 804 HA ASN 10 HA ASN 10 9.116 12.602 4.588 805 1HB ASN 10 2HB ASN 10 7.469 10.194 3.795 806 2HB ASN 10 1HB ASN 10 6.822 11.707 4.420 807 1HD2 ASN 10 1HD2 ASN 10 7.310 10.004 1.696 808 2HD2 ASN 10 2HD2 ASN 10 7.384 11.288 0.541 809 H ALA 11 H ALA 11 10.847 11.378 6.247 810 HA ALA 11 HA ALA 11 9.761 9.551 8.090 811 1HB ALA 11 1HB ALA 11 12.030 9.689 8.322 812 2HB ALA 11 2HB ALA 11 11.537 10.756 9.637 813 3HB ALA 11 3HB ALA 11 12.059 11.438 8.095 814 H ASP 12 H ASP 12 8.508 9.793 9.881 815 HA ASP 12 HA ASP 12 8.031 12.379 11.059 816 1HB ASP 12 2HB ASP 12 5.795 10.954 9.607 817 2HB ASP 12 1HB ASP 12 5.571 12.323 10.694 818 H MET 13 H MET 13 9.126 10.632 12.531 819 HA MET 13 HA MET 13 7.241 9.982 14.539 820 1HB MET 13 2HB MET 13 7.449 7.536 14.498 821 2HB MET 13 1HB MET 13 6.684 8.146 13.038 822 1HG MET 13 2HG MET 13 8.868 7.966 11.880 823 2HG MET 13 1HG MET 13 9.530 7.219 13.333 824 1HE MET 13 1HE MET 13 7.892 3.936 13.715 825 2HE MET 13 2HE MET 13 6.570 5.084 13.930 826 3HE MET 13 3HE MET 13 8.178 5.466 14.544 827 H SER 14 H SER 14 8.465 8.174 16.064 828 HA SER 14 HA SER 14 10.582 9.537 17.233 829 1HB SER 14 2HB SER 14 9.923 6.588 17.419 830 2HB SER 14 1HB SER 14 10.985 7.463 18.521 831 HG SER 14 HG SER 14 8.199 7.648 18.206 832 H GLU 15 H GLU 15 12.755 9.506 17.049 833 HA GLU 15 HA GLU 15 13.993 8.806 14.667 834 1HB GLU 15 2HB GLU 15 15.258 9.128 17.387 835 2HB GLU 15 1HB GLU 15 16.120 9.156 15.855 836 1HG GLU 15 2HG GLU 15 14.879 11.149 15.191 837 2HG GLU 15 1HG GLU 15 14.014 11.121 16.726 838 H GLU 16 H GLU 16 13.907 7.032 17.719 839 HA GLU 16 HA GLU 16 15.597 4.939 16.938 840 1HB GLU 16 2HB GLU 16 14.606 3.678 18.802 841 2HB GLU 16 1HB GLU 16 15.025 5.318 19.272 842 1HG GLU 16 2HG GLU 16 12.688 5.985 19.037 843 2HG GLU 16 1HG GLU 16 12.268 4.339 18.570 844 H MET 17 H MET 17 12.096 5.318 16.659 845 HA MET 17 HA MET 17 11.594 2.718 15.687 846 1HB MET 17 2HB MET 17 10.018 5.264 15.285 847 2HB MET 17 1HB MET 17 9.432 3.647 14.922 848 1HG MET 17 2HG MET 17 9.620 3.038 17.271 849 2HG MET 17 1HG MET 17 10.239 4.645 17.644 850 1HE MET 17 1HE MET 17 7.372 5.291 19.447 851 2HE MET 17 2HE MET 17 8.566 3.995 19.387 852 3HE MET 17 3HE MET 17 6.865 3.642 19.084 853 H GLN 18 H GLN 18 12.123 5.799 14.008 854 HA GLN 18 HA GLN 18 11.800 4.720 11.417 855 1HB GLN 18 2HB GLN 18 12.935 6.797 10.644 856 2HB GLN 18 1HB GLN 18 11.564 7.078 11.707 857 1HG GLN 18 2HG GLN 18 13.150 7.383 13.583 858 2HG GLN 18 1HG GLN 18 14.477 7.236 12.433 859 1HE2 GLN 18 1HE2 GLN 18 12.290 9.315 13.902 860 2HE2 GLN 18 2HE2 GLN 18 12.577 10.713 12.935 861 H GLN 19 H GLN 19 14.629 5.116 13.498 862 HA GLN 19 HA GLN 19 16.480 4.326 11.465 863 1HB GLN 19 2HB GLN 19 18.130 4.218 13.239 864 2HB GLN 19 1HB GLN 19 17.159 5.675 13.418 865 1HG GLN 19 2HG GLN 19 15.849 4.589 15.156 866 2HG GLN 19 1HG GLN 19 16.817 3.129 14.981 867 1HE2 GLN 19 1HE2 GLN 19 18.301 2.911 16.479 868 2HE2 GLN 19 2HE2 GLN 19 19.150 4.186 17.276 869 H ASP 20 H ASP 20 14.707 2.665 14.012 870 HA ASP 20 HA ASP 20 16.030 0.164 13.699 871 1HB ASP 20 2HB ASP 20 14.808 0.739 15.755 872 2HB ASP 20 1HB ASP 20 13.297 0.780 14.851 873 H SER 21 H SER 21 13.162 1.619 12.280 874 HA SER 21 HA SER 21 12.269 -0.723 10.953 875 1HB SER 21 2HB SER 21 10.772 1.190 11.323 876 2HB SER 21 1HB SER 21 11.778 2.191 10.276 877 HG SER 21 HG SER 21 10.600 -0.213 9.369 878 H VAL 22 H VAL 22 14.315 1.996 9.995 879 HA VAL 22 HA VAL 22 14.708 1.194 7.320 880 HB VAL 22 HB VAL 22 16.535 2.831 9.086 881 1HG1 VAL 22 1HG1 VAL 22 16.648 2.050 6.247 882 2HG1 VAL 22 2HG1 VAL 22 17.943 2.497 7.357 883 3HG1 VAL 22 3HG1 VAL 22 16.965 3.750 6.592 884 1HG2 VAL 22 1HG2 VAL 22 14.001 3.474 8.438 885 2HG2 VAL 22 2HG2 VAL 22 14.852 4.121 7.036 886 3HG2 VAL 22 3HG2 VAL 22 15.284 4.663 8.659 887 H GLU 23 H GLU 23 16.612 0.661 10.259 888 HA GLU 23 HA GLU 23 18.643 -0.863 9.010 889 1HB GLU 23 2HB GLU 23 18.994 0.215 11.170 890 2HB GLU 23 1HB GLU 23 17.734 -0.776 11.892 891 1HG GLU 23 2HG GLU 23 19.065 -2.771 11.495 892 2HG GLU 23 1HG GLU 23 20.324 -1.789 10.749 893 H CYS 24 H CYS 24 15.661 -1.674 10.692 894 HA CYS 24 HA CYS 24 15.965 -4.477 10.646 895 1HB CYS 24 2HB CYS 24 14.361 -3.308 12.109 896 2HB CYS 24 1HB CYS 24 13.421 -2.837 10.696 897 HG CYS 24 HG CYS 24 13.733 -5.855 11.315 898 H ALA 25 H ALA 25 14.715 -2.177 8.312 899 HA ALA 25 HA ALA 25 13.508 -4.078 6.583 900 1HB ALA 25 1HB ALA 25 13.399 -2.267 4.972 901 2HB ALA 25 2HB ALA 25 14.526 -1.313 5.935 902 3HB ALA 25 3HB ALA 25 12.923 -1.683 6.566 903 H THR 26 H THR 26 16.677 -2.580 6.822 904 HA THR 26 HA THR 26 17.742 -3.510 4.421 905 HB THR 26 HB THR 26 19.161 -2.967 7.034 906 HG1 THR 26 1HG THR 26 17.974 -1.196 6.108 907 1HG2 THR 26 1HG2 THR 26 20.436 -2.706 4.350 908 2HG2 THR 26 2HG2 THR 26 20.427 -4.257 5.187 909 3HG2 THR 26 3HG2 THR 26 21.184 -2.854 5.941 910 H GLN 27 H GLN 27 17.704 -4.926 7.649 911 HA GLN 27 HA GLN 27 19.216 -7.221 7.087 912 1HB GLN 27 2HB GLN 27 16.973 -6.876 9.088 913 2HB GLN 27 1HB GLN 27 18.146 -8.186 9.088 914 1HG GLN 27 2HG GLN 27 19.945 -6.582 9.462 915 2HG GLN 27 1HG GLN 27 18.775 -5.266 9.453 916 1HE2 GLN 27 1HE2 GLN 27 17.241 -7.798 10.893 917 2HE2 GLN 27 2HE2 GLN 27 17.614 -7.457 12.541 918 H ALA 28 H ALA 28 15.745 -6.575 6.866 919 HA ALA 28 HA ALA 28 14.837 -9.126 6.248 920 1HB ALA 28 1HB ALA 28 13.661 -6.713 6.534 921 2HB ALA 28 2HB ALA 28 12.849 -8.131 5.870 922 3HB ALA 28 3HB ALA 28 13.542 -6.923 4.789 923 H LEU 29 H LEU 29 16.125 -6.612 4.103 924 HA LEU 29 HA LEU 29 15.628 -7.964 1.693 925 1HB LEU 29 2HB LEU 29 17.584 -5.826 2.464 926 2HB LEU 29 1HB LEU 29 17.541 -6.484 0.838 927 HG LEU 29 HG LEU 29 15.123 -5.282 2.160 928 1HD1 LEU 29 1HD1 LEU 29 15.798 -3.390 0.425 929 2HD1 LEU 29 2HD1 LEU 29 17.417 -3.986 0.790 930 3HD1 LEU 29 3HD1 LEU 29 16.387 -3.382 2.088 931 1HD2 LEU 29 1HD2 LEU 29 15.807 -5.788 -0.732 932 2HD2 LEU 29 2HD2 LEU 29 14.296 -5.120 -0.113 933 3HD2 LEU 29 3HD2 LEU 29 14.740 -6.786 0.258 934 H GLU 30 H GLU 30 18.547 -7.821 3.692 935 HA GLU 30 HA GLU 30 20.063 -9.545 2.026 936 1HB GLU 30 2HB GLU 30 21.620 -9.675 3.937 937 2HB GLU 30 1HB GLU 30 21.165 -8.021 3.552 938 1HG GLU 30 2HG GLU 30 19.567 -8.032 5.395 939 2HG GLU 30 1HG GLU 30 20.028 -9.688 5.784 940 H LYS 31 H LYS 31 17.806 -10.099 4.624 941 HA LYS 31 HA LYS 31 18.583 -12.867 4.930 942 1HB LYS 31 2HB LYS 31 16.371 -11.247 6.188 943 2HB LYS 31 1HB LYS 31 16.691 -12.935 6.562 944 1HG LYS 31 2HG LYS 31 18.898 -12.356 7.393 945 2HG LYS 31 1HG LYS 31 18.628 -10.665 6.970 946 1HD LYS 31 2HD LYS 31 18.252 -11.041 9.351 947 2HD LYS 31 1HD LYS 31 16.756 -10.568 8.543 948 1HE LYS 31 2HE LYS 31 16.369 -12.394 10.114 949 2HE LYS 31 1HE LYS 31 16.056 -12.904 8.456 950 1HZ LYS 31 1HZ LYS 31 18.594 -13.424 9.906 951 2HZ LYS 31 2HZ LYS 31 18.146 -14.032 8.393 952 3HZ LYS 31 3HZ LYS 31 17.325 -14.537 9.783 953 H TYR 32 H TYR 32 15.948 -11.043 3.447 954 HA TYR 32 HA TYR 32 14.861 -13.604 2.486 955 1HB TYR 32 2HB TYR 32 13.456 -10.965 2.901 956 2HB TYR 32 1HB TYR 32 12.712 -12.387 2.178 957 HD1 TYR 32 1HD TYR 32 13.178 -14.607 3.721 958 HD2 TYR 32 2HD TYR 32 12.886 -10.592 5.097 959 HE1 TYR 32 1HE TYR 32 12.555 -15.425 5.955 960 HE2 TYR 32 2HE TYR 32 12.262 -11.399 7.335 961 HH TYR 32 HH TYR 32 12.785 -14.319 8.451 962 H ASN 33 H ASN 33 15.550 -10.275 1.493 963 HA ASN 33 HA ASN 33 16.046 -9.377 -0.542 964 1HB ASN 33 2HB ASN 33 16.304 -12.251 -1.466 965 2HB ASN 33 1HB ASN 33 16.883 -10.831 -2.328 966 1HD2 ASN 33 1HD2 ASN 33 18.963 -10.501 -2.145 967 2HD2 ASN 33 2HD2 ASN 33 19.953 -10.922 -0.794 968 H ILE 34 H ILE 34 13.356 -9.782 0.218 969 HA ILE 34 HA ILE 34 12.093 -9.622 -2.384 970 HB ILE 34 HB ILE 34 11.157 -11.639 -0.338 971 1HG1 ILE 34 2HG1 ILE 34 12.315 -12.007 -3.110 972 2HG1 ILE 34 1HG1 ILE 34 13.090 -12.444 -1.591 973 1HG2 ILE 34 1HG2 ILE 34 9.683 -10.216 -2.272 974 2HG2 ILE 34 2HG2 ILE 34 9.151 -11.576 -1.286 975 3HG2 ILE 34 3HG2 ILE 34 9.858 -11.863 -2.877 976 1HD1 ILE 34 1HD1 ILE 34 12.240 -14.468 -1.874 977 2HD1 ILE 34 2HD1 ILE 34 11.207 -13.924 -3.195 978 3HD1 ILE 34 3HD1 ILE 34 10.659 -13.770 -1.526 979 H GLU 35 H GLU 35 10.786 -7.927 -2.328 980 HA GLU 35 HA GLU 35 10.312 -6.278 -0.205 981 1HB GLU 35 2HB GLU 35 8.412 -5.370 -1.516 982 2HB GLU 35 1HB GLU 35 9.870 -5.592 -2.476 983 1HG GLU 35 2HG GLU 35 8.937 -7.723 -3.315 984 2HG GLU 35 1HG GLU 35 7.449 -7.378 -2.437 985 H LYS 36 H LYS 36 8.248 -8.953 -1.283 986 HA LYS 36 HA LYS 36 6.069 -8.561 0.383 987 1HB LYS 36 2HB LYS 36 6.119 -10.230 -1.404 988 2HB LYS 36 1HB LYS 36 7.290 -11.179 -0.501 989 1HG LYS 36 2HG LYS 36 5.559 -11.363 1.322 990 2HG LYS 36 1HG LYS 36 4.408 -10.670 0.176 991 1HD LYS 36 2HD LYS 36 4.221 -13.068 0.121 992 2HD LYS 36 1HD LYS 36 4.937 -12.517 -1.392 993 1HE LYS 36 2HE LYS 36 7.154 -13.102 -0.573 994 2HE LYS 36 1HE LYS 36 6.466 -13.604 0.969 995 1HZ LYS 36 1HZ LYS 36 6.966 -15.313 -0.953 996 2HZ LYS 36 2HZ LYS 36 5.415 -14.858 -1.453 997 3HZ LYS 36 3HZ LYS 36 5.646 -15.512 0.088 998 H ASP 37 H ASP 37 8.836 -10.718 1.025 999 HA ASP 37 HA ASP 37 8.110 -11.433 3.619 1000 1HB ASP 37 2HB ASP 37 10.880 -11.256 2.420 1001 2HB ASP 37 1HB ASP 37 10.466 -12.120 3.897 1002 H ILE 38 H ILE 38 10.086 -8.725 2.498 1003 HA ILE 38 HA ILE 38 11.178 -7.823 4.852 1004 HB ILE 38 HB ILE 38 10.035 -6.114 2.635 1005 1HG1 ILE 38 2HG1 ILE 38 12.866 -7.094 3.037 1006 2HG1 ILE 38 1HG1 ILE 38 11.714 -7.838 1.940 1007 1HG2 ILE 38 1HG2 ILE 38 10.498 -4.877 4.733 1008 2HG2 ILE 38 2HG2 ILE 38 11.514 -4.372 3.383 1009 3HG2 ILE 38 3HG2 ILE 38 12.174 -5.417 4.640 1010 1HD1 ILE 38 1HD1 ILE 38 13.211 -5.309 1.694 1011 2HD1 ILE 38 2HD1 ILE 38 11.572 -5.339 1.044 1012 3HD1 ILE 38 3HD1 ILE 38 12.770 -6.497 0.466 1013 H ALA 39 H ALA 39 8.094 -6.653 3.494 1014 HA ALA 39 HA ALA 39 7.363 -5.172 5.775 1015 1HB ALA 39 1HB ALA 39 5.082 -5.171 4.712 1016 2HB ALA 39 2HB ALA 39 5.760 -6.201 3.450 1017 3HB ALA 39 3HB ALA 39 6.399 -4.576 3.701 1018 H ALA 40 H ALA 40 6.922 -8.540 4.966 1019 HA ALA 40 HA ALA 40 4.758 -9.067 6.704 1020 1HB ALA 40 1HB ALA 40 5.751 -10.493 4.788 1021 2HB ALA 40 2HB ALA 40 5.057 -11.299 6.195 1022 3HB ALA 40 3HB ALA 40 6.806 -11.139 6.045 1023 H HIS 41 H HIS 41 8.179 -9.993 7.146 1024 HA HIS 41 HA HIS 41 7.854 -10.711 9.844 1025 1HB HIS 41 2HB HIS 41 10.021 -11.361 9.734 1026 2HB HIS 41 1HB HIS 41 9.801 -11.096 8.011 1027 HD1 HIS 41 1HD HIS 41 11.113 -9.273 11.061 1028 HD2 HIS 41 2HD HIS 41 11.513 -9.268 6.925 1029 HE1 HIS 41 1HE HIS 41 12.983 -7.672 10.574 1030 HE2 HIS 41 2HE HIS 41 13.321 -7.820 8.087 1031 H ILE 42 H ILE 42 9.098 -7.728 8.365 1032 HA ILE 42 HA ILE 42 9.830 -6.430 10.730 1033 HB ILE 42 HB ILE 42 8.833 -5.200 8.157 1034 1HG1 ILE 42 2HG1 ILE 42 11.656 -5.683 9.111 1035 2HG1 ILE 42 1HG1 ILE 42 10.811 -6.701 7.951 1036 1HG2 ILE 42 1HG2 ILE 42 10.039 -3.190 8.886 1037 2HG2 ILE 42 2HG2 ILE 42 10.391 -3.973 10.428 1038 3HG2 ILE 42 3HG2 ILE 42 8.724 -3.604 9.986 1039 1HD1 ILE 42 1HD1 ILE 42 10.499 -4.462 6.658 1040 2HD1 ILE 42 2HD1 ILE 42 12.024 -5.343 6.574 1041 3HD1 ILE 42 3HD1 ILE 42 11.871 -3.943 7.637 1042 H LYS 43 H LYS 43 6.726 -6.519 9.026 1043 HA LYS 43 HA LYS 43 5.388 -4.608 10.573 1044 1HB LYS 43 2HB LYS 43 4.492 -5.457 8.465 1045 2HB LYS 43 1HB LYS 43 4.268 -7.043 9.187 1046 1HG LYS 43 2HG LYS 43 2.652 -6.072 10.767 1047 2HG LYS 43 1HG LYS 43 2.857 -4.506 9.984 1048 1HD LYS 43 2HD LYS 43 0.922 -5.358 9.005 1049 2HD LYS 43 1HD LYS 43 2.178 -5.731 7.826 1050 1HE LYS 43 2HE LYS 43 1.129 -7.654 9.898 1051 2HE LYS 43 1HE LYS 43 0.606 -7.605 8.217 1052 1HZ LYS 43 1HZ LYS 43 3.181 -7.843 7.822 1053 2HZ LYS 43 2HZ LYS 43 2.201 -9.194 8.089 1054 3HZ LYS 43 3HZ LYS 43 3.123 -8.559 9.356 1055 H LYS 44 H LYS 44 5.334 -8.175 10.908 1056 HA LYS 44 HA LYS 44 3.772 -8.215 13.229 1057 1HB LYS 44 2HB LYS 44 4.514 -10.491 13.546 1058 2HB LYS 44 1HB LYS 44 4.242 -10.206 11.833 1059 1HG LYS 44 2HG LYS 44 6.605 -10.028 11.433 1060 2HG LYS 44 1HG LYS 44 6.943 -10.136 13.163 1061 1HD LYS 44 2HD LYS 44 5.921 -12.397 13.169 1062 2HD LYS 44 1HD LYS 44 5.731 -12.281 11.420 1063 1HE LYS 44 2HE LYS 44 7.729 -13.554 12.019 1064 2HE LYS 44 1HE LYS 44 8.144 -12.073 11.158 1065 1HZ LYS 44 1HZ LYS 44 9.204 -11.245 12.932 1066 2HZ LYS 44 2HZ LYS 44 9.276 -12.852 13.454 1067 3HZ LYS 44 3HZ LYS 44 8.065 -11.827 14.039 1068 H GLU 45 H GLU 45 7.272 -7.959 12.838 1069 HA GLU 45 HA GLU 45 8.052 -8.327 15.478 1070 1HB GLU 45 2HB GLU 45 9.639 -8.193 13.625 1071 2HB GLU 45 1HB GLU 45 9.259 -6.491 13.401 1072 1HG GLU 45 2HG GLU 45 11.361 -6.767 14.571 1073 2HG GLU 45 1HG GLU 45 10.163 -5.989 15.606 1074 H PHE 46 H PHE 46 7.218 -5.269 13.839 1075 HA PHE 46 HA PHE 46 7.570 -3.648 16.114 1076 1HB PHE 46 2HB PHE 46 6.111 -3.274 13.519 1077 2HB PHE 46 1HB PHE 46 6.019 -2.057 14.788 1078 HD1 PHE 46 1HD PHE 46 8.451 -1.514 15.830 1079 HD2 PHE 46 2HD PHE 46 7.674 -2.898 11.882 1080 HE1 PHE 46 1HE PHE 46 10.581 -0.544 15.079 1081 HE2 PHE 46 2HE PHE 46 9.806 -1.930 11.122 1082 HZ PHE 46 HZ PHE 46 11.264 -0.749 12.721 1083 H ASP 47 H ASP 47 4.671 -5.179 14.774 1084 HA ASP 47 HA ASP 47 2.830 -4.054 16.566 1085 1HB ASP 47 2HB ASP 47 2.769 -6.679 15.071 1086 2HB ASP 47 1HB ASP 47 1.406 -6.054 15.995 1087 H LYS 48 H LYS 48 4.887 -6.886 16.829 1088 HA LYS 48 HA LYS 48 3.703 -7.902 19.209 1089 1HB LYS 48 2HB LYS 48 5.330 -8.979 17.405 1090 2HB LYS 48 1HB LYS 48 6.553 -8.462 18.556 1091 1HG LYS 48 2HG LYS 48 4.250 -10.323 19.081 1092 2HG LYS 48 1HG LYS 48 5.960 -10.743 18.991 1093 1HD LYS 48 2HD LYS 48 6.423 -9.435 20.972 1094 2HD LYS 48 1HD LYS 48 4.749 -8.880 21.026 1095 1HE LYS 48 2HE LYS 48 3.985 -11.154 21.385 1096 2HE LYS 48 1HE LYS 48 5.645 -11.743 21.291 1097 1HZ LYS 48 1HZ LYS 48 6.142 -10.945 23.346 1098 2HZ LYS 48 2HZ LYS 48 4.492 -11.229 23.582 1099 3HZ LYS 48 3HZ LYS 48 5.040 -9.662 23.258 1100 H LYS 49 H LYS 49 6.546 -5.896 18.568 1101 HA LYS 49 HA LYS 49 7.222 -5.689 21.362 1102 1HB LYS 49 2HB LYS 49 8.349 -4.203 18.996 1103 2HB LYS 49 1HB LYS 49 9.053 -4.276 20.605 1104 1HG LYS 49 2HG LYS 49 8.771 -6.507 18.613 1105 2HG LYS 49 1HG LYS 49 10.257 -5.787 19.235 1106 1HD LYS 49 2HD LYS 49 8.239 -7.287 20.887 1107 2HD LYS 49 1HD LYS 49 9.738 -7.979 20.259 1108 1HE LYS 49 2HE LYS 49 9.507 -5.657 22.173 1109 2HE LYS 49 1HE LYS 49 9.988 -7.300 22.593 1110 1HZ LYS 49 1HZ LYS 49 11.971 -6.113 22.377 1111 2HZ LYS 49 2HZ LYS 49 11.469 -5.321 20.970 1112 3HZ LYS 49 3HZ LYS 49 11.845 -6.969 20.923 1113 H TYR 50 H TYR 50 6.425 -3.294 18.901 1114 HA TYR 50 HA TYR 50 5.951 -1.271 20.884 1115 1HB TYR 50 2HB TYR 50 5.601 -1.221 17.886 1116 2HB TYR 50 1HB TYR 50 5.431 0.181 18.941 1117 HD1 TYR 50 1HD TYR 50 7.904 -2.557 18.334 1118 HD2 TYR 50 2HD TYR 50 7.265 1.577 19.083 1119 HE1 TYR 50 1HE TYR 50 10.319 -2.179 18.216 1120 HE2 TYR 50 2HE TYR 50 9.688 1.978 18.951 1121 HH TYR 50 HH TYR 50 11.925 -0.156 19.314 1122 H ASN 51 H ASN 51 3.987 -3.552 19.224 1123 HA ASN 51 HA ASN 51 1.805 -4.120 19.791 1124 1HB ASN 51 2HB ASN 51 1.419 -1.290 20.790 1125 2HB ASN 51 1HB ASN 51 0.312 -2.641 20.986 1126 1HD2 ASN 51 1HD2 ASN 51 2.497 -0.828 22.554 1127 2HD2 ASN 51 2HD2 ASN 51 3.017 -1.950 23.761 1128 HA PRO 52 HA PRO 52 0.283 -3.025 15.831 1129 1HB PRO 52 2HB PRO 52 -2.421 -3.482 16.996 1130 2HB PRO 52 1HB PRO 52 -1.681 -4.189 15.556 1131 1HG PRO 52 2HG PRO 52 -1.923 -5.607 17.797 1132 2HG PRO 52 1HG PRO 52 -0.479 -5.750 16.778 1133 1HD PRO 52 2HD PRO 52 -0.839 -4.307 19.367 1134 2HD PRO 52 1HD PRO 52 0.565 -5.207 18.760 1135 H THR 53 H THR 53 -1.697 -0.055 15.528 1136 HA THR 53 HA THR 53 -0.920 -2.700 14.502 1137 HB THR 53 HB THR 53 -3.345 -2.281 14.466 1138 HG1 THR 53 1HG THR 53 -2.127 -3.402 12.703 1139 1HG2 THR 53 1HG2 THR 53 -3.499 -0.480 12.273 1140 2HG2 THR 53 2HG2 THR 53 -2.632 0.295 13.598 1141 3HG2 THR 53 3HG2 THR 53 -4.244 -0.364 13.865 1142 H TRP 54 H TRP 54 0.753 -2.697 13.166 1143 HA TRP 54 HA TRP 54 1.546 -0.181 11.910 1144 1HB TRP 54 2HB TRP 54 3.074 -2.764 12.198 1145 2HB TRP 54 1HB TRP 54 3.706 -1.269 11.510 1146 HD1 TRP 54 HD TRP 54 2.040 -2.287 14.871 1147 HE1 TRP 54 1HE TRP 54 3.307 -1.098 16.763 1148 HE3 TRP 54 3HE TRP 54 5.408 0.327 12.052 1149 HZ2 TRP 54 2HZ TRP 54 5.453 0.726 17.024 1150 HZ3 TRP 54 3HZ TRP 54 7.032 1.777 13.203 1151 HH2 TRP 54 HH TRP 54 7.052 1.972 15.637 1152 H HIS 55 H HIS 55 1.568 0.178 9.809 1153 HA HIS 55 HA HIS 55 0.753 -2.016 8.018 1154 1HB HIS 55 2HB HIS 55 0.421 0.921 7.424 1155 2HB HIS 55 1HB HIS 55 -0.417 -0.445 6.693 1156 HD1 HIS 55 1HD HIS 55 -1.817 -1.864 8.783 1157 HD2 HIS 55 2HD HIS 55 -1.216 2.232 9.102 1158 HE1 HIS 55 1HE HIS 55 -3.561 -1.054 10.398 1159 HE2 HIS 55 2HE HIS 55 -3.252 1.444 10.486 1160 H CYS 56 H CYS 56 2.009 -2.396 6.181 1161 HA CYS 56 HA CYS 56 4.224 -0.539 5.675 1162 1HB CYS 56 2HB CYS 56 5.110 -2.240 7.191 1163 2HB CYS 56 1HB CYS 56 4.575 -3.512 6.098 1164 HG CYS 56 HG CYS 56 7.215 -2.611 5.937 1165 H ILE 57 H ILE 57 4.890 -0.374 3.620 1166 HA ILE 57 HA ILE 57 3.758 -2.190 1.600 1167 HB ILE 57 HB ILE 57 3.937 0.814 1.300 1168 1HG1 ILE 57 2HG1 ILE 57 2.162 0.152 2.887 1169 2HG1 ILE 57 1HG1 ILE 57 1.500 0.835 1.406 1170 1HG2 ILE 57 1HG2 ILE 57 2.840 -1.337 -0.499 1171 2HG2 ILE 57 2HG2 ILE 57 4.224 -0.289 -0.807 1172 3HG2 ILE 57 3HG2 ILE 57 2.598 0.391 -0.753 1173 1HD1 ILE 57 1HD1 ILE 57 1.306 -1.899 2.489 1174 2HD1 ILE 57 2HD1 ILE 57 1.455 -1.746 0.737 1175 3HD1 ILE 57 3HD1 ILE 57 0.133 -0.943 1.583 1176 H VAL 58 H VAL 58 5.125 -2.602 -0.182 1177 HA VAL 58 HA VAL 58 7.597 -1.123 -0.456 1178 HB VAL 58 HB VAL 58 7.712 -4.058 0.248 1179 1HG1 VAL 58 1HG1 VAL 58 9.905 -2.071 -0.341 1180 2HG1 VAL 58 2HG1 VAL 58 9.425 -3.436 -1.352 1181 3HG1 VAL 58 3HG1 VAL 58 10.149 -3.722 0.231 1182 1HG2 VAL 58 1HG2 VAL 58 8.464 -1.610 1.836 1183 2HG2 VAL 58 2HG2 VAL 58 8.962 -3.250 2.255 1184 3HG2 VAL 58 3HG2 VAL 58 7.250 -2.825 2.242 1185 H GLY 59 H GLY 59 8.492 -1.278 -2.464 1186 1HA GLY 59 2HA GLY 59 8.260 -3.365 -4.281 1187 2HA GLY 59 1HA GLY 59 6.874 -2.321 -4.559 1188 H ARG 60 H ARG 60 7.456 -1.554 -6.561 1189 HA ARG 60 HA ARG 60 9.435 0.545 -6.599 1190 1HB ARG 60 2HB ARG 60 9.840 -1.880 -8.355 1191 2HB ARG 60 1HB ARG 60 10.739 -0.378 -8.481 1192 1HG ARG 60 2HG ARG 60 11.631 -0.736 -6.230 1193 2HG ARG 60 1HG ARG 60 10.750 -2.263 -6.137 1194 1HD ARG 60 2HD ARG 60 12.825 -1.579 -8.206 1195 2HD ARG 60 1HD ARG 60 13.115 -2.558 -6.772 1196 HE ARG 60 HE ARG 60 10.971 -3.643 -8.234 1197 1HH1 ARG 60 1HH1 ARG 60 14.437 -3.267 -8.401 1198 2HH1 ARG 60 2HH1 ARG 60 14.669 -4.684 -9.369 1199 1HH2 ARG 60 1HH2 ARG 60 11.274 -5.507 -9.510 1200 2HH2 ARG 60 2HH2 ARG 60 12.874 -5.955 -10.000 1201 H ASN 61 H ASN 61 6.575 0.226 -7.103 1202 HA ASN 61 HA ASN 61 6.132 1.995 -9.130 1203 1HB ASN 61 2HB ASN 61 7.073 0.393 -10.718 1204 2HB ASN 61 1HB ASN 61 5.947 -0.839 -10.176 1205 1HD2 ASN 61 1HD2 ASN 61 4.551 2.266 -10.315 1206 2HD2 ASN 61 2HD2 ASN 61 3.746 2.083 -11.829 1207 H PHE 62 H PHE 62 4.658 2.446 -7.380 1208 HA PHE 62 HA PHE 62 2.031 1.444 -7.871 1209 1HB PHE 62 2HB PHE 62 1.649 0.343 -5.736 1210 2HB PHE 62 1HB PHE 62 2.973 -0.443 -6.591 1211 HD1 PHE 62 1HD PHE 62 2.306 2.132 -3.988 1212 HD2 PHE 62 2HD PHE 62 4.997 -0.789 -5.517 1213 HE1 PHE 62 1HE PHE 62 3.771 2.466 -2.040 1214 HE2 PHE 62 2HE PHE 62 6.457 -0.460 -3.568 1215 HZ PHE 62 HZ PHE 62 5.848 1.165 -1.827 1216 H GLY 63 H GLY 63 0.426 2.596 -6.869 1217 1HA GLY 63 2HA GLY 63 1.290 5.094 -5.582 1218 2HA GLY 63 1HA GLY 63 -0.290 4.799 -6.305 1219 H SER 64 H SER 64 0.871 5.513 -3.444 1220 HA SER 64 HA SER 64 -0.837 3.557 -2.053 1221 1HB SER 64 2HB SER 64 1.694 4.845 -1.029 1222 2HB SER 64 1HB SER 64 0.640 3.796 -0.085 1223 HG SER 64 HG SER 64 2.135 2.441 -0.878 1224 H TYR 65 H TYR 65 -2.104 4.203 -0.373 1225 HA TYR 65 HA TYR 65 -2.186 6.983 0.447 1226 1HB TYR 65 2HB TYR 65 -3.676 6.600 -1.659 1227 2HB TYR 65 1HB TYR 65 -4.749 5.760 -0.546 1228 HD1 TYR 65 1HD TYR 65 -2.830 8.971 -0.602 1229 HD2 TYR 65 2HD TYR 65 -6.513 7.018 0.244 1230 HE1 TYR 65 1HE TYR 65 -3.818 11.129 0.039 1231 HE2 TYR 65 2HE TYR 65 -7.511 9.173 0.888 1232 HH TYR 65 HH TYR 65 -5.645 11.991 1.377 1233 H VAL 66 H VAL 66 -2.529 7.006 2.596 1234 HA VAL 66 HA VAL 66 -4.288 5.091 3.889 1235 HB VAL 66 HB VAL 66 -1.355 5.174 4.604 1236 1HG1 VAL 66 1HG1 VAL 66 -3.714 3.814 5.809 1237 2HG1 VAL 66 2HG1 VAL 66 -2.396 4.678 6.593 1238 3HG1 VAL 66 3HG1 VAL 66 -2.122 3.070 5.923 1239 1HG2 VAL 66 1HG2 VAL 66 -1.546 3.981 2.551 1240 2HG2 VAL 66 2HG2 VAL 66 -2.950 3.087 3.133 1241 3HG2 VAL 66 3HG2 VAL 66 -1.361 2.788 3.837 1242 H THR 67 H THR 67 -4.460 5.519 6.257 1243 HA THR 67 HA THR 67 -3.891 8.352 6.873 1244 HB THR 67 HB THR 67 -6.111 6.583 7.929 1245 HG1 THR 67 1HG THR 67 -6.060 8.670 6.027 1246 1HG2 THR 67 1HG2 THR 67 -5.184 9.269 8.713 1247 2HG2 THR 67 2HG2 THR 67 -6.001 8.025 9.656 1248 3HG2 THR 67 3HG2 THR 67 -6.924 9.039 8.546 1249 H HIS 68 H HIS 68 -3.228 8.861 9.032 1250 HA HIS 68 HA HIS 68 -2.643 6.772 10.915 1251 1HB HIS 68 2HB HIS 68 -0.168 7.075 10.793 1252 2HB HIS 68 1HB HIS 68 -0.854 6.340 9.342 1253 HD1 HIS 68 1HD HIS 68 0.402 9.683 10.583 1254 HD2 HIS 68 2HD HIS 68 -0.404 7.715 7.014 1255 HE1 HIS 68 1HE HIS 68 1.204 11.225 8.770 1256 HE2 HIS 68 2HE HIS 68 0.570 10.079 6.624 1257 H GLU 69 H GLU 69 -2.314 7.569 12.931 1258 HA GLU 69 HA GLU 69 -2.867 10.290 13.459 1259 1HB GLU 69 2HB GLU 69 -2.449 9.739 15.791 1260 2HB GLU 69 1HB GLU 69 -3.401 8.468 15.033 1261 1HG GLU 69 2HG GLU 69 -1.423 7.087 14.808 1262 2HG GLU 69 1HG GLU 69 -0.432 8.372 15.497 1263 H THR 70 H THR 70 -1.478 11.814 14.593 1264 HA THR 70 HA THR 70 0.924 12.300 13.287 1265 HB THR 70 HB THR 70 1.359 13.972 15.057 1266 HG1 THR 70 1HG THR 70 -0.815 12.659 16.291 1267 1HG2 THR 70 1HG2 THR 70 -0.319 15.424 14.506 1268 2HG2 THR 70 2HG2 THR 70 -1.563 14.174 14.547 1269 3HG2 THR 70 3HG2 THR 70 -0.438 14.253 13.192 1270 H LYS 71 H LYS 71 3.093 12.255 13.970 1271 HA LYS 71 HA LYS 71 4.964 11.322 14.847 1272 1HB LYS 71 2HB LYS 71 3.145 10.809 17.203 1273 2HB LYS 71 1HB LYS 71 4.884 10.546 17.218 1274 1HG LYS 71 2HG LYS 71 3.498 13.182 16.776 1275 2HG LYS 71 1HG LYS 71 4.307 12.662 18.256 1276 1HD LYS 71 2HD LYS 71 6.428 12.507 17.031 1277 2HD LYS 71 1HD LYS 71 5.614 13.057 15.564 1278 1HE LYS 71 2HE LYS 71 6.800 14.889 16.651 1279 2HE LYS 71 1HE LYS 71 5.059 15.168 16.655 1280 1HZ LYS 71 1HZ LYS 71 6.064 15.709 18.789 1281 2HZ LYS 71 2HZ LYS 71 6.637 14.125 18.946 1282 3HZ LYS 71 3HZ LYS 71 4.973 14.423 18.945 1283 H HIS 72 H HIS 72 3.345 9.772 13.136 1284 HA HIS 72 HA HIS 72 4.454 7.191 13.658 1285 1HB HIS 72 2HB HIS 72 1.471 7.573 13.894 1286 2HB HIS 72 1HB HIS 72 2.201 6.010 13.538 1287 HD1 HIS 72 1HD HIS 72 4.249 5.472 15.444 1288 HD2 HIS 72 2HD HIS 72 1.010 7.829 16.542 1289 HE1 HIS 72 1HE HIS 72 4.182 5.394 17.955 1290 HE2 HIS 72 2HE HIS 72 2.162 6.759 18.593 1291 H PHE 73 H PHE 73 5.315 8.200 11.633 1292 HA PHE 73 HA PHE 73 4.157 6.897 9.383 1293 1HB PHE 73 2HB PHE 73 2.687 8.756 9.226 1294 2HB PHE 73 1HB PHE 73 3.981 9.901 9.564 1295 HD1 PHE 73 1HD PHE 73 3.649 7.092 7.129 1296 HD2 PHE 73 2HD PHE 73 4.313 11.249 7.742 1297 HE1 PHE 73 1HE PHE 73 4.029 7.384 4.715 1298 HE2 PHE 73 2HE PHE 73 4.691 11.550 5.330 1299 HZ PHE 73 HZ PHE 73 4.550 9.615 3.813 1300 H ILE 74 H ILE 74 5.742 6.350 7.981 1301 HA ILE 74 HA ILE 74 8.064 8.042 7.660 1302 HB ILE 74 HB ILE 74 8.674 6.809 9.676 1303 1HG1 ILE 74 2HG1 ILE 74 10.183 5.859 7.228 1304 2HG1 ILE 74 1HG1 ILE 74 10.432 7.394 8.054 1305 1HG2 ILE 74 1HG2 ILE 74 8.040 4.411 7.985 1306 2HG2 ILE 74 2HG2 ILE 74 7.410 4.837 9.576 1307 3HG2 ILE 74 3HG2 ILE 74 9.084 4.309 9.403 1308 1HD1 ILE 74 1HD1 ILE 74 10.847 5.832 10.121 1309 2HD1 ILE 74 2HD1 ILE 74 12.123 6.163 8.948 1310 3HD1 ILE 74 3HD1 ILE 74 11.218 4.652 8.865 1311 H TYR 75 H TYR 75 9.127 7.723 5.789 1312 HA TYR 75 HA TYR 75 8.582 5.357 4.164 1313 1HB TYR 75 2HB TYR 75 6.894 7.005 3.469 1314 2HB TYR 75 1HB TYR 75 8.158 8.200 3.203 1315 HD1 TYR 75 1HD TYR 75 7.422 4.681 2.156 1316 HD2 TYR 75 2HD TYR 75 8.746 8.558 1.009 1317 HE1 TYR 75 1HE TYR 75 7.655 3.907 -0.166 1318 HE2 TYR 75 2HE TYR 75 8.980 7.795 -1.317 1319 HH TYR 75 HH TYR 75 7.936 5.934 -2.760 1320 H PHE 76 H PHE 76 10.332 4.783 2.872 1321 HA PHE 76 HA PHE 76 12.414 6.609 2.216 1322 1HB PHE 76 2HB PHE 76 14.185 5.624 3.627 1323 2HB PHE 76 1HB PHE 76 12.931 6.402 4.584 1324 HD1 PHE 76 1HD PHE 76 13.840 3.047 3.229 1325 HD2 PHE 76 2HD PHE 76 12.071 5.276 6.392 1326 HE1 PHE 76 1HE PHE 76 13.539 0.973 4.516 1327 HE2 PHE 76 2HE PHE 76 11.769 3.205 7.686 1328 HZ PHE 76 HZ PHE 76 12.504 1.051 6.748 1329 H TYR 77 H TYR 77 13.836 5.808 0.736 1330 HA TYR 77 HA TYR 77 13.119 3.295 -0.494 1331 1HB TYR 77 2HB TYR 77 15.139 5.423 -1.227 1332 2HB TYR 77 1HB TYR 77 14.891 3.954 -2.165 1333 HD1 TYR 77 1HD TYR 77 12.722 6.611 -0.649 1334 HD2 TYR 77 2HD TYR 77 13.625 4.230 -4.059 1335 HE1 TYR 77 1HE TYR 77 10.903 7.707 -1.890 1336 HE2 TYR 77 2HE TYR 77 11.810 5.322 -5.307 1337 HH TYR 77 HH TYR 77 10.588 7.923 -4.882 1338 H LEU 78 H LEU 78 14.516 1.529 -0.793 1339 HA LEU 78 HA LEU 78 17.141 1.443 0.310 1340 1HB LEU 78 2HB LEU 78 15.878 1.386 2.398 1341 2HB LEU 78 1HB LEU 78 14.946 0.025 1.814 1342 HG LEU 78 HG LEU 78 16.876 -1.412 1.867 1343 1HD1 LEU 78 1HD1 LEU 78 18.303 1.112 1.914 1344 2HD1 LEU 78 2HD1 LEU 78 18.861 -0.495 1.454 1345 3HD1 LEU 78 3HD1 LEU 78 18.881 -0.007 3.147 1346 1HD2 LEU 78 1HD2 LEU 78 17.374 -0.207 4.467 1347 2HD2 LEU 78 2HD2 LEU 78 16.673 -1.773 4.061 1348 3HD2 LEU 78 3HD2 LEU 78 15.652 -0.336 4.096 1349 H GLY 79 H GLY 79 18.281 -0.279 -0.451 1350 1HA GLY 79 2HA GLY 79 18.762 -2.067 -1.810 1351 2HA GLY 79 1HA GLY 79 17.304 -2.789 -1.145 1352 H GLN 80 H GLN 80 17.554 0.133 -3.100 1353 HA GLN 80 HA GLN 80 16.606 0.732 -5.069 1354 1HB GLN 80 2HB GLN 80 17.075 -2.186 -5.701 1355 2HB GLN 80 1HB GLN 80 16.616 -0.974 -6.887 1356 1HG GLN 80 2HG GLN 80 18.983 -1.377 -7.002 1357 2HG GLN 80 1HG GLN 80 18.687 0.256 -6.408 1358 1HE2 GLN 80 1HE2 GLN 80 19.993 0.831 -4.842 1359 2HE2 GLN 80 2HE2 GLN 80 20.667 -0.207 -3.636 1360 H VAL 81 H VAL 81 14.844 0.035 -2.938 1361 HA VAL 81 HA VAL 81 12.435 -0.379 -4.489 1362 HB VAL 81 HB VAL 81 11.515 -2.113 -2.992 1363 1HG1 VAL 81 1HG1 VAL 81 14.029 -2.819 -4.487 1364 2HG1 VAL 81 2HG1 VAL 81 12.363 -2.895 -5.061 1365 3HG1 VAL 81 3HG1 VAL 81 12.921 -4.018 -3.823 1366 1HG2 VAL 81 1HG2 VAL 81 14.296 -2.575 -1.962 1367 2HG2 VAL 81 2HG2 VAL 81 12.777 -3.257 -1.382 1368 3HG2 VAL 81 3HG2 VAL 81 13.140 -1.554 -1.110 1369 H ALA 82 H ALA 82 10.782 0.799 -3.720 1370 HA ALA 82 HA ALA 82 11.237 2.619 -1.579 1371 1HB ALA 82 1HB ALA 82 8.845 1.995 -3.287 1372 2HB ALA 82 2HB ALA 82 9.880 3.424 -3.317 1373 3HB ALA 82 3HB ALA 82 8.773 3.164 -1.970 1374 H ILE 83 H ILE 83 10.594 2.566 0.503 1375 HA ILE 83 HA ILE 83 8.951 0.282 1.372 1376 HB ILE 83 HB ILE 83 11.343 1.407 2.837 1377 1HG1 ILE 83 2HG1 ILE 83 10.941 -1.251 1.447 1378 2HG1 ILE 83 1HG1 ILE 83 11.982 0.056 0.893 1379 1HG2 ILE 83 1HG2 ILE 83 9.544 -0.911 3.539 1380 2HG2 ILE 83 2HG2 ILE 83 9.567 0.657 4.346 1381 3HG2 ILE 83 3HG2 ILE 83 10.976 -0.400 4.433 1382 1HD1 ILE 83 1HD1 ILE 83 12.324 -1.577 3.395 1383 2HD1 ILE 83 2HD1 ILE 83 13.332 -0.205 2.936 1384 3HD1 ILE 83 3HD1 ILE 83 13.306 -1.654 1.933 1385 H LEU 84 H LEU 84 7.399 0.691 2.861 1386 HA LEU 84 HA LEU 84 7.273 3.372 4.049 1387 1HB LEU 84 2HB LEU 84 5.841 3.375 2.072 1388 2HB LEU 84 1HB LEU 84 5.012 1.941 2.648 1389 HG LEU 84 HG LEU 84 4.146 3.228 4.567 1390 1HD1 LEU 84 1HD1 LEU 84 4.839 5.275 5.109 1391 2HD1 LEU 84 2HD1 LEU 84 4.730 5.845 3.444 1392 3HD1 LEU 84 3HD1 LEU 84 6.176 4.998 3.993 1393 1HD2 LEU 84 1HD2 LEU 84 2.526 3.201 2.977 1394 2HD2 LEU 84 2HD2 LEU 84 3.568 3.911 1.744 1395 3HD2 LEU 84 3HD2 LEU 84 2.848 4.936 2.986 1396 H LEU 85 H LEU 85 6.404 3.461 6.102 1397 HA LEU 85 HA LEU 85 5.074 1.166 7.237 1398 1HB LEU 85 2HB LEU 85 7.414 0.501 7.428 1399 2HB LEU 85 1HB LEU 85 7.789 2.006 8.248 1400 HG LEU 85 HG LEU 85 6.355 1.339 10.131 1401 1HD1 LEU 85 1HD1 LEU 85 6.115 -1.453 9.533 1402 2HD1 LEU 85 2HD1 LEU 85 5.314 -0.502 8.283 1403 3HD1 LEU 85 3HD1 LEU 85 4.862 -0.292 9.974 1404 1HD2 LEU 85 1HD2 LEU 85 8.622 -0.403 9.257 1405 2HD2 LEU 85 2HD2 LEU 85 7.764 -0.750 10.759 1406 3HD2 LEU 85 3HD2 LEU 85 8.567 0.805 10.540 1407 H PHE 86 H PHE 86 3.951 1.607 9.093 1408 HA PHE 86 HA PHE 86 4.292 3.733 10.836 1409 1HB PHE 86 2HB PHE 86 2.492 5.288 10.081 1410 2HB PHE 86 1HB PHE 86 3.887 5.249 9.013 1411 HD1 PHE 86 1HD PHE 86 0.534 3.659 9.402 1412 HD2 PHE 86 2HD PHE 86 3.557 5.068 6.760 1413 HE1 PHE 86 1HE PHE 86 -0.926 3.184 7.480 1414 HE2 PHE 86 2HE PHE 86 2.099 4.598 4.837 1415 HZ PHE 86 HZ PHE 86 -0.144 3.652 5.195 1416 H LYS 87 H LYS 87 2.964 3.487 12.561 1417 HA LYS 87 HA LYS 87 1.014 1.344 12.374 1418 1HB LYS 87 2HB LYS 87 0.999 1.355 14.808 1419 2HB LYS 87 1HB LYS 87 2.640 1.250 14.194 1420 1HG LYS 87 2HG LYS 87 2.998 3.598 14.655 1421 2HG LYS 87 1HG LYS 87 1.325 3.765 15.194 1422 1HD LYS 87 2HD LYS 87 3.394 1.970 16.458 1423 2HD LYS 87 1HD LYS 87 2.901 3.548 17.077 1424 1HE LYS 87 2HE LYS 87 1.131 1.128 16.744 1425 2HE LYS 87 1HE LYS 87 1.768 1.750 18.266 1426 1HZ LYS 87 1HZ LYS 87 0.561 3.919 17.325 1427 2HZ LYS 87 2HZ LYS 87 -0.213 2.786 18.316 1428 3HZ LYS 87 3HZ LYS 87 -0.429 2.730 16.639 1429 H SER 88 H SER 88 -0.981 1.590 13.789 1430 HA SER 88 HA SER 88 -2.088 4.291 13.699 1431 1HB SER 88 2HB SER 88 -2.733 3.263 11.564 1432 2HB SER 88 1HB SER 88 -3.422 1.888 12.430 1433 HG SER 88 HG SER 88 -4.852 3.736 11.734 1434 H GLY 89 H GLY 89 -3.208 4.747 15.474 1435 1HA GLY 89 2HA GLY 89 -4.954 3.002 16.813 1436 2HA GLY 89 1HA GLY 89 -3.400 2.959 17.631 1437 1H MET 1 1HT MET 1 -9.076 -7.621 13.434 1438 2H MET 1 2HT MET 1 -8.342 -9.171 13.422 1439 3H MET 1 3HT MET 1 -9.001 -8.520 11.977 1440 HA MET 1 HA MET 1 -7.390 -6.787 11.984 1441 1HB MET 1 2HB MET 1 -6.384 -8.201 14.462 1442 2HB MET 1 1HB MET 1 -5.554 -6.884 13.648 1443 1HG MET 1 2HG MET 1 -7.452 -5.408 14.121 1444 2HG MET 1 1HG MET 1 -8.254 -6.731 14.965 1445 1HE MET 1 1HE MET 1 -5.469 -7.982 16.656 1446 2HE MET 1 2HE MET 1 -7.221 -8.013 16.844 1447 3HE MET 1 3HE MET 1 -6.212 -7.300 18.103 1448 H LYS 2 H LYS 2 -7.843 -9.006 10.495 1449 HA LYS 2 HA LYS 2 -5.700 -10.864 10.475 1450 1HB LYS 2 2HB LYS 2 -7.607 -10.113 8.253 1451 2HB LYS 2 1HB LYS 2 -6.587 -11.545 8.290 1452 1HG LYS 2 2HG LYS 2 -7.791 -12.394 10.210 1453 2HG LYS 2 1HG LYS 2 -8.776 -10.930 10.264 1454 1HD LYS 2 2HD LYS 2 -9.990 -12.750 9.196 1455 2HD LYS 2 1HD LYS 2 -9.666 -11.452 8.045 1456 1HE LYS 2 2HE LYS 2 -9.264 -13.639 7.040 1457 2HE LYS 2 1HE LYS 2 -7.773 -12.706 7.151 1458 1HZ LYS 2 1HZ LYS 2 -8.264 -14.375 9.444 1459 2HZ LYS 2 2HZ LYS 2 -6.862 -14.201 8.513 1460 3HZ LYS 2 3HZ LYS 2 -8.088 -15.249 8.006 1461 H ASP 3 H ASP 3 -3.741 -10.767 9.579 1462 HA ASP 3 HA ASP 3 -2.841 -8.280 8.464 1463 1HB ASP 3 2HB ASP 3 -0.635 -9.369 8.383 1464 2HB ASP 3 1HB ASP 3 -1.392 -9.536 9.964 1465 H THR 4 H THR 4 -3.317 -7.781 6.402 1466 HA THR 4 HA THR 4 -3.801 -9.746 4.403 1467 HB THR 4 HB THR 4 -4.843 -7.496 4.386 1468 HG1 THR 4 1HG THR 4 -3.215 -8.021 2.123 1469 1HG2 THR 4 1HG2 THR 4 -2.635 -6.339 5.048 1470 2HG2 THR 4 2HG2 THR 4 -3.733 -5.533 3.929 1471 3HG2 THR 4 3HG2 THR 4 -2.302 -6.364 3.316 1472 H GLY 5 H GLY 5 -2.520 -10.326 2.644 1473 1HA GLY 5 2HA GLY 5 0.210 -9.280 2.532 1474 2HA GLY 5 1HA GLY 5 0.020 -11.003 2.830 1475 H ILE 6 H ILE 6 0.701 -8.875 0.492 1476 HA ILE 6 HA ILE 6 0.135 -10.763 -1.595 1477 HB ILE 6 HB ILE 6 -1.100 -9.036 -2.999 1478 1HG1 ILE 6 2HG1 ILE 6 -2.546 -7.491 -1.611 1479 2HG1 ILE 6 1HG1 ILE 6 -1.483 -7.844 -0.253 1480 1HG2 ILE 6 1HG2 ILE 6 -2.759 -9.981 -0.696 1481 2HG2 ILE 6 2HG2 ILE 6 -2.019 -11.131 -1.811 1482 3HG2 ILE 6 3HG2 ILE 6 -3.160 -9.928 -2.412 1483 1HD1 ILE 6 1HD1 ILE 6 -1.180 -5.795 -2.017 1484 2HD1 ILE 6 2HD1 ILE 6 -0.070 -7.004 -2.661 1485 3HD1 ILE 6 3HD1 ILE 6 0.095 -6.457 -0.992 1486 H GLN 7 H GLN 7 1.232 -10.356 -3.512 1487 HA GLN 7 HA GLN 7 2.819 -7.936 -3.722 1488 1HB GLN 7 2HB GLN 7 4.917 -9.233 -4.082 1489 2HB GLN 7 1HB GLN 7 4.306 -9.310 -2.437 1490 1HG GLN 7 2HG GLN 7 5.072 -11.474 -3.054 1491 2HG GLN 7 1HG GLN 7 3.312 -11.520 -2.967 1492 1HE2 GLN 7 1HE2 GLN 7 2.443 -12.679 -4.512 1493 2HE2 GLN 7 2HE2 GLN 7 3.034 -12.845 -6.127 1494 H VAL 8 H VAL 8 3.498 -7.450 -5.778 1495 HA VAL 8 HA VAL 8 2.971 -9.316 -7.946 1496 HB VAL 8 HB VAL 8 1.634 -6.605 -7.866 1497 1HG1 VAL 8 1HG1 VAL 8 2.123 -7.030 -10.110 1498 2HG1 VAL 8 2HG1 VAL 8 0.466 -7.603 -9.920 1499 3HG1 VAL 8 3HG1 VAL 8 1.799 -8.756 -9.950 1500 1HG2 VAL 8 1HG2 VAL 8 0.496 -9.379 -7.560 1501 2HG2 VAL 8 2HG2 VAL 8 -0.475 -7.936 -7.852 1502 3HG2 VAL 8 3HG2 VAL 8 0.476 -8.074 -6.373 1503 H ASP 9 H ASP 9 3.953 -8.682 -9.938 1504 HA ASP 9 HA ASP 9 5.495 -6.272 -10.099 1505 1HB ASP 9 1HB ASP 9 6.996 -7.517 -8.668 1506 2HB ASP 9 2HB ASP 9 7.699 -7.413 -10.278 1507 H ARG 10 H ARG 10 3.551 -7.051 -11.763 1508 HA ARG 10 HA ARG 10 4.338 -8.647 -13.947 1509 1HB ARG 10 2HB ARG 10 2.328 -6.391 -13.857 1510 2HB ARG 10 1HB ARG 10 2.468 -7.574 -15.150 1511 1HG ARG 10 2HG ARG 10 1.913 -9.360 -13.572 1512 2HG ARG 10 1HG ARG 10 1.756 -8.164 -12.284 1513 1HD ARG 10 2HD ARG 10 -0.426 -8.771 -13.184 1514 2HD ARG 10 1HD ARG 10 -0.056 -7.078 -13.511 1515 HE ARG 10 HE ARG 10 0.761 -8.598 -15.710 1516 1HH1 ARG 10 1HH1 ARG 10 -2.184 -7.651 -14.094 1517 2HH1 ARG 10 2HH1 ARG 10 -3.144 -7.722 -15.534 1518 1HH2 ARG 10 1HH2 ARG 10 -0.501 -8.691 -17.605 1519 2HH2 ARG 10 2HH2 ARG 10 -2.188 -8.312 -17.527 1520 H ASP 11 H ASP 11 4.611 -5.190 -13.313 1521 HA ASP 11 HA ASP 11 5.839 -3.546 -14.292 1522 1HB ASP 11 2HB ASP 11 7.383 -5.899 -15.403 1523 2HB ASP 11 1HB ASP 11 7.909 -4.223 -15.503 1524 H LEU 12 H LEU 12 3.511 -3.915 -15.505 1525 HA LEU 12 HA LEU 12 3.678 -4.491 -18.287 1526 1HB LEU 12 2HB LEU 12 1.572 -2.987 -16.735 1527 2HB LEU 12 1HB LEU 12 1.399 -3.558 -18.383 1528 HG LEU 12 HG LEU 12 1.742 -5.299 -15.940 1529 1HD1 LEU 12 1HD1 LEU 12 -0.621 -5.998 -16.981 1530 2HD1 LEU 12 2HD1 LEU 12 -0.596 -4.297 -17.439 1531 3HD1 LEU 12 3HD1 LEU 12 -0.443 -4.756 -15.742 1532 1HD2 LEU 12 1HD2 LEU 12 1.572 -5.918 -18.871 1533 2HD2 LEU 12 2HD2 LEU 12 1.094 -7.092 -17.646 1534 3HD2 LEU 12 3HD2 LEU 12 2.749 -6.484 -17.685 1535 H ASP 13 H ASP 13 5.728 -2.790 -17.978 1536 HA ASP 13 HA ASP 13 6.673 -0.843 -18.679 1537 1HB ASP 13 2HB ASP 13 5.787 -1.673 -20.822 1538 2HB ASP 13 1HB ASP 13 4.273 -0.825 -20.523 1539 H GLY 14 H GLY 14 5.269 -0.476 -16.356 1540 1HA GLY 14 2HA GLY 14 4.762 1.410 -15.088 1541 2HA GLY 14 1HA GLY 14 4.612 2.337 -16.571 1542 H LYS 15 H LYS 15 2.670 0.690 -17.864 1543 HA LYS 15 HA LYS 15 0.403 0.527 -16.071 1544 1HB LYS 15 2HB LYS 15 -0.987 2.067 -17.392 1545 2HB LYS 15 1HB LYS 15 0.382 2.889 -16.655 1546 1HG LYS 15 2HG LYS 15 1.571 2.824 -18.787 1547 2HG LYS 15 1HG LYS 15 0.198 1.999 -19.525 1548 1HD LYS 15 2HD LYS 15 -1.225 3.931 -19.034 1549 2HD LYS 15 1HD LYS 15 0.149 4.755 -18.292 1550 1HE LYS 15 2HE LYS 15 1.333 4.702 -20.434 1551 2HE LYS 15 1HE LYS 15 -0.040 3.878 -21.174 1552 1HZ LYS 15 1HZ LYS 15 -0.313 6.112 -21.724 1553 2HZ LYS 15 2HZ LYS 15 0.114 6.658 -20.180 1554 3HZ LYS 15 3HZ LYS 15 -1.373 5.890 -20.423 1555 H SER 16 H SER 16 1.533 0.417 -19.438 1556 HA SER 16 HA SER 16 0.575 -2.197 -19.853 1557 1HB SER 16 2HB SER 16 -1.246 -1.723 -21.461 1558 2HB SER 16 1HB SER 16 -1.632 -1.161 -19.837 1559 HG SER 16 HG SER 16 -0.632 0.446 -21.953 1560 H HIS 17 H HIS 17 1.441 -3.084 -21.663 1561 HA HIS 17 HA HIS 17 2.164 -1.669 -23.990 1562 1HB HIS 17 2HB HIS 17 3.876 -0.700 -22.498 1563 2HB HIS 17 1HB HIS 17 4.460 -2.319 -22.128 1564 HD1 HIS 17 1HD HIS 17 5.098 -3.673 -24.555 1565 HD2 HIS 17 2HD HIS 17 5.403 0.467 -24.380 1566 HE1 HIS 17 1HE HIS 17 6.635 -3.033 -26.437 1567 HE2 HIS 17 2HE HIS 17 6.879 -0.532 -26.255 1568 H LYS 18 H LYS 18 3.138 -4.372 -21.895 1569 HA LYS 18 HA LYS 18 3.946 -6.093 -23.977 1570 1HB LYS 18 2HB LYS 18 3.061 -6.600 -21.143 1571 2HB LYS 18 1HB LYS 18 3.524 -7.909 -22.220 1572 1HG LYS 18 2HG LYS 18 5.370 -7.268 -20.787 1573 2HG LYS 18 1HG LYS 18 5.742 -6.922 -22.476 1574 1HD LYS 18 2HD LYS 18 5.218 -4.573 -22.129 1575 2HD LYS 18 1HD LYS 18 4.766 -4.902 -20.456 1576 1HE LYS 18 2HE LYS 18 7.053 -5.634 -19.986 1577 2HE LYS 18 1HE LYS 18 7.502 -5.310 -21.660 1578 1HZ LYS 18 1HZ LYS 18 6.450 -3.237 -19.819 1579 2HZ LYS 18 2HZ LYS 18 7.140 -3.000 -21.345 1580 3HZ LYS 18 3HZ LYS 18 8.101 -3.526 -20.055 1581 1H MET 1 1HT MET 1 -3.955 14.179 13.114 1582 2H MET 1 2HT MET 1 -2.330 13.989 12.597 1583 3H MET 1 3HT MET 1 -2.968 12.966 13.818 1584 HA MET 1 HA MET 1 -3.048 11.631 12.022 1585 1HB MET 1 2HB MET 1 -5.666 13.148 12.030 1586 2HB MET 1 1HB MET 1 -5.428 11.538 11.366 1587 1HG MET 1 2HG MET 1 -4.865 10.700 13.584 1588 2HG MET 1 1HG MET 1 -5.088 12.316 14.254 1589 1HE MET 1 1HE MET 1 -8.066 10.030 15.522 1590 2HE MET 1 2HE MET 1 -7.148 11.423 16.090 1591 3HE MET 1 3HE MET 1 -6.303 9.987 15.509 1592 H LYS 2 H LYS 2 -2.654 11.352 9.895 1593 HA LYS 2 HA LYS 2 -3.436 13.299 7.932 1594 1HB LYS 2 2HB LYS 2 -0.507 12.900 8.555 1595 2HB LYS 2 1HB LYS 2 -1.117 13.720 7.124 1596 1HG LYS 2 2HG LYS 2 -2.191 15.395 8.571 1597 2HG LYS 2 1HG LYS 2 -1.501 14.588 9.981 1598 1HD LYS 2 2HD LYS 2 0.745 15.021 9.156 1599 2HD LYS 2 1HD LYS 2 0.082 15.777 7.705 1600 1HE LYS 2 2HE LYS 2 -0.970 17.498 9.083 1601 2HE LYS 2 1HE LYS 2 -0.316 16.741 10.535 1602 1HZ LYS 2 1HZ LYS 2 1.731 17.561 10.146 1603 2HZ LYS 2 2HZ LYS 2 0.890 18.726 9.253 1604 3HZ LYS 2 3HZ LYS 2 1.610 17.414 8.464 1605 H ASP 3 H ASP 3 -3.628 12.448 5.961 1606 HA ASP 3 HA ASP 3 -3.233 9.609 5.728 1607 1HB ASP 3 2HB ASP 3 -5.293 10.661 4.897 1608 2HB ASP 3 1HB ASP 3 -4.348 11.586 3.733 1609 H THR 4 H THR 4 -1.455 8.690 4.988 1610 HA THR 4 HA THR 4 0.638 10.161 3.745 1611 HB THR 4 HB THR 4 0.204 7.230 4.207 1612 HG1 THR 4 1HG THR 4 1.818 9.185 5.445 1613 1HG2 THR 4 1HG2 THR 4 2.485 6.800 3.634 1614 2HG2 THR 4 2HG2 THR 4 2.758 8.503 3.274 1615 3HG2 THR 4 3HG2 THR 4 1.683 7.547 2.254 1616 H GLY 5 H GLY 5 1.338 10.112 1.606 1617 1HA GLY 5 2HA GLY 5 -0.134 8.528 -0.332 1618 2HA GLY 5 1HA GLY 5 -0.374 10.264 -0.449 1619 H ILE 6 H ILE 6 1.175 7.899 -1.897 1620 HA ILE 6 HA ILE 6 3.169 9.638 -3.015 1621 HB ILE 6 HB ILE 6 5.082 8.110 -2.576 1622 1HG1 ILE 6 2HG1 ILE 6 4.807 6.663 -0.471 1623 2HG1 ILE 6 1HG1 ILE 6 3.076 6.805 -0.747 1624 1HG2 ILE 6 1HG2 ILE 6 4.631 10.207 -1.278 1625 2HG2 ILE 6 2HG2 ILE 6 5.627 9.009 -0.447 1626 3HG2 ILE 6 3HG2 ILE 6 3.926 9.191 -0.020 1627 1HD1 ILE 6 1HD1 ILE 6 4.479 6.002 -3.143 1628 2HD1 ILE 6 2HD1 ILE 6 3.122 5.239 -2.316 1629 3HD1 ILE 6 3HD1 ILE 6 4.774 4.899 -1.799 1630 H GLN 7 H GLN 7 3.826 8.997 -5.028 1631 HA GLN 7 HA GLN 7 2.682 6.466 -6.003 1632 1HB GLN 7 2HB GLN 7 2.520 7.581 -8.233 1633 2HB GLN 7 1HB GLN 7 1.473 8.271 -7.004 1634 1HG GLN 7 2HG GLN 7 2.395 10.066 -8.235 1635 2HG GLN 7 1HG GLN 7 3.191 10.054 -6.662 1636 1HE2 GLN 7 1HE2 GLN 7 5.252 10.524 -6.812 1637 2HE2 GLN 7 2HE2 GLN 7 6.320 10.059 -8.087 1638 H VAL 8 H VAL 8 3.944 5.119 -7.201 1639 HA VAL 8 HA VAL 8 6.653 6.026 -7.886 1640 HB VAL 8 HB VAL 8 6.068 3.430 -6.453 1641 1HG1 VAL 8 1HG1 VAL 8 8.723 4.640 -7.210 1642 2HG1 VAL 8 2HG1 VAL 8 7.922 3.348 -8.101 1643 3HG1 VAL 8 3HG1 VAL 8 8.446 3.077 -6.439 1644 1HG2 VAL 8 1HG2 VAL 8 5.883 5.134 -4.837 1645 2HG2 VAL 8 2HG2 VAL 8 7.249 6.027 -5.506 1646 3HG2 VAL 8 3HG2 VAL 8 7.520 4.500 -4.666 1647 H ASP 9 H ASP 9 7.596 4.993 -9.645 1648 HA ASP 9 HA ASP 9 6.473 2.713 -10.909 1649 1HB ASP 9 2HB ASP 9 5.651 3.807 -12.961 1650 2HB ASP 9 1HB ASP 9 4.720 4.291 -11.546 1651 H ARG 10 H ARG 10 9.031 3.414 -10.078 1652 HA ARG 10 HA ARG 10 10.612 4.364 -12.258 1653 1HB ARG 10 2HB ARG 10 11.416 2.857 -9.765 1654 2HB ARG 10 1HB ARG 10 12.534 3.620 -10.888 1655 1HG ARG 10 2HG ARG 10 11.546 5.801 -10.380 1656 2HG ARG 10 1HG ARG 10 10.445 5.028 -9.239 1657 1HD ARG 10 2HD ARG 10 12.351 4.261 -7.915 1658 2HD ARG 10 1HD ARG 10 13.457 5.020 -9.062 1659 HE ARG 10 HE ARG 10 11.672 6.963 -8.128 1660 1HH1 ARG 10 1HH1 ARG 10 14.292 4.982 -6.950 1661 2HH1 ARG 10 2HH1 ARG 10 14.774 6.122 -5.737 1662 1HH2 ARG 10 1HH2 ARG 10 12.304 8.463 -6.535 1663 2HH2 ARG 10 2HH2 ARG 10 13.645 8.097 -5.502 1664 H ASP 11 H ASP 11 9.864 1.180 -10.932 1665 HA ASP 11 HA ASP 11 10.055 -0.921 -11.780 1666 1HB ASP 11 2HB ASP 11 10.175 0.554 -14.420 1667 2HB ASP 11 1HB ASP 11 9.910 -1.177 -14.235 1668 H LEU 12 H LEU 12 12.365 0.053 -10.747 1669 HA LEU 12 HA LEU 12 14.557 -0.216 -12.585 1670 1HB LEU 12 2HB LEU 12 14.548 -0.134 -9.568 1671 2HB LEU 12 1HB LEU 12 15.966 0.008 -10.587 1672 HG LEU 12 HG LEU 12 13.677 1.972 -10.475 1673 1HD1 LEU 12 1HD1 LEU 12 15.489 3.468 -9.562 1674 2HD1 LEU 12 2HD1 LEU 12 16.464 2.014 -9.348 1675 3HD1 LEU 12 3HD1 LEU 12 14.935 2.185 -8.486 1676 1HD2 LEU 12 1HD2 LEU 12 14.414 2.833 -12.381 1677 2HD2 LEU 12 2HD2 LEU 12 15.545 1.489 -12.531 1678 3HD2 LEU 12 3HD2 LEU 12 16.044 2.974 -11.723 1679 H ASP 13 H ASP 13 13.156 -2.502 -12.910 1680 HA ASP 13 HA ASP 13 13.945 -4.627 -11.207 1681 1HB ASP 13 2HB ASP 13 11.958 -4.766 -12.649 1682 2HB ASP 13 1HB ASP 13 12.989 -4.717 -14.076 1683 H GLY 14 H GLY 14 15.136 -3.475 -14.352 1684 1HA GLY 14 2HA GLY 14 17.818 -4.117 -13.806 1685 2HA GLY 14 1HA GLY 14 17.108 -5.435 -14.725 1686 H LYS 15 H LYS 15 16.443 -1.972 -14.996 1687 HA LYS 15 HA LYS 15 16.728 -0.472 -16.675 1688 1HB LYS 15 2HB LYS 15 18.787 -2.429 -17.705 1689 2HB LYS 15 1HB LYS 15 18.574 -0.778 -18.270 1690 1HG LYS 15 2HG LYS 15 19.143 0.054 -16.039 1691 2HG LYS 15 1HG LYS 15 19.383 -1.607 -15.490 1692 1HD LYS 15 2HD LYS 15 20.929 -0.229 -17.685 1693 2HD LYS 15 1HD LYS 15 21.510 -0.530 -16.047 1694 1HE LYS 15 2HE LYS 15 21.292 -2.942 -16.421 1695 2HE LYS 15 1HE LYS 15 20.724 -2.634 -18.061 1696 1HZ LYS 15 1HZ LYS 15 22.968 -1.328 -18.204 1697 2HZ LYS 15 2HZ LYS 15 22.927 -3.002 -18.437 1698 3HZ LYS 15 3HZ LYS 15 23.422 -2.369 -16.949 1699 H SER 16 H SER 16 16.934 -3.744 -18.122 1700 HA SER 16 HA SER 16 15.773 -3.152 -20.560 1701 1HB SER 16 2HB SER 16 15.547 -5.722 -18.975 1702 2HB SER 16 1HB SER 16 15.208 -5.552 -20.698 1703 HG SER 16 HG SER 16 17.683 -5.290 -19.357 1704 H HIS 17 H HIS 17 14.174 -4.177 -17.557 1705 HA HIS 17 HA HIS 17 11.555 -4.179 -18.637 1706 1HB HIS 17 2HB HIS 17 12.516 -3.947 -15.781 1707 2HB HIS 17 1HB HIS 17 10.829 -4.155 -16.242 1708 HD1 HIS 17 1HD HIS 17 14.095 -5.991 -16.993 1709 HD2 HIS 17 2HD HIS 17 10.111 -6.743 -16.086 1710 HE1 HIS 17 1HE HIS 17 13.889 -8.493 -16.901 1711 HE2 HIS 17 2HE HIS 17 11.488 -8.923 -16.268 1712 H LYS 18 H LYS 18 13.391 -1.776 -16.784 1713 HA LYS 18 HA LYS 18 11.382 0.140 -16.525 1714 1HB LYS 18 2HB LYS 18 13.492 0.216 -15.280 1715 2HB LYS 18 1HB LYS 18 14.368 0.540 -16.771 1716 1HG LYS 18 2HG LYS 18 13.173 2.652 -17.016 1717 2HG LYS 18 1HG LYS 18 12.300 2.328 -15.519 1718 1HD LYS 18 2HD LYS 18 14.425 2.304 -14.294 1719 2HD LYS 18 1HD LYS 18 15.289 2.646 -15.794 1720 1HE LYS 18 2HE LYS 18 13.230 4.423 -14.490 1721 2HE LYS 18 1HE LYS 18 14.976 4.671 -14.462 1722 1HZ LYS 18 1HZ LYS 18 13.276 4.653 -16.900 1723 2HZ LYS 18 2HZ LYS 18 14.946 4.917 -16.861 1724 3HZ LYS 18 3HZ LYS 18 13.898 6.035 -16.146 Start of MODEL 13 1 1H MET 1 1HT MET 1 -24.128 -4.620 -16.156 2 2H MET 1 2HT MET 1 -22.677 -5.465 -15.797 3 3H MET 1 3HT MET 1 -24.145 -6.328 -16.011 4 HA MET 1 HA MET 1 -22.559 -6.396 -17.889 5 1HB MET 1 2HB MET 1 -24.934 -6.970 -18.064 6 2HB MET 1 1HB MET 1 -25.342 -5.274 -18.286 7 1HG MET 1 2HG MET 1 -24.090 -5.249 -20.384 8 2HG MET 1 1HG MET 1 -23.686 -6.951 -20.161 9 1HE MET 1 1HE MET 1 -27.528 -5.494 -19.423 10 2HE MET 1 2HE MET 1 -27.743 -5.116 -21.133 11 3HE MET 1 3HE MET 1 -26.414 -4.389 -20.228 12 H CYS 2 H CYS 2 -21.304 -5.289 -19.271 13 HA CYS 2 HA CYS 2 -20.257 -3.563 -20.317 14 1HB CYS 2 2HB CYS 2 -22.939 -2.198 -20.013 15 2HB CYS 2 1HB CYS 2 -21.627 -1.642 -21.046 16 HG CYS 2 HG CYS 2 -23.638 -3.250 -22.144 17 H ASP 3 H ASP 3 -18.846 -2.045 -19.642 18 HA ASP 3 HA ASP 3 -17.766 -0.582 -18.282 19 1HB ASP 3 2HB ASP 3 -20.584 0.136 -17.455 20 2HB ASP 3 1HB ASP 3 -19.149 1.059 -17.022 21 H ARG 4 H ARG 4 -16.830 -0.533 -16.265 22 HA ARG 4 HA ARG 4 -16.244 -1.250 -14.191 23 1HB ARG 4 2HB ARG 4 -19.189 -1.891 -13.959 24 2HB ARG 4 1HB ARG 4 -18.045 -2.019 -12.633 25 1HG ARG 4 2HG ARG 4 -19.155 0.034 -12.353 26 2HG ARG 4 1HG ARG 4 -17.550 0.427 -12.974 27 1HD ARG 4 2HD ARG 4 -19.270 1.755 -14.079 28 2HD ARG 4 1HD ARG 4 -18.477 0.674 -15.221 29 HE ARG 4 HE ARG 4 -20.501 -0.302 -15.593 30 1HH1 ARG 4 1HH1 ARG 4 -20.633 1.317 -12.510 31 2HH1 ARG 4 2HH1 ARG 4 -22.295 0.921 -12.232 32 1HH2 ARG 4 1HH2 ARG 4 -22.688 -0.820 -15.235 33 2HH2 ARG 4 2HH2 ARG 4 -23.464 -0.290 -13.780 34 H LYS 5 H LYS 5 -15.175 -3.018 -13.611 35 HA LYS 5 HA LYS 5 -16.249 -5.662 -13.949 36 1HB LYS 5 2HB LYS 5 -13.908 -4.753 -15.635 37 2HB LYS 5 1HB LYS 5 -14.328 -6.440 -15.375 38 1HG LYS 5 2HG LYS 5 -16.078 -4.374 -16.694 39 2HG LYS 5 1HG LYS 5 -15.144 -5.623 -17.516 40 1HD LYS 5 2HD LYS 5 -16.442 -7.355 -16.405 41 2HD LYS 5 1HD LYS 5 -17.354 -6.128 -15.524 42 1HE LYS 5 2HE LYS 5 -18.207 -5.249 -17.645 43 2HE LYS 5 1HE LYS 5 -17.296 -6.480 -18.520 44 1HZ LYS 5 1HZ LYS 5 -19.229 -7.591 -18.370 45 2HZ LYS 5 2HZ LYS 5 -19.774 -6.719 -17.029 46 3HZ LYS 5 3HZ LYS 5 -18.680 -7.992 -16.821 47 H ALA 6 H ALA 6 -12.806 -5.346 -14.165 48 HA ALA 6 HA ALA 6 -11.121 -5.727 -12.694 49 1HB ALA 6 1HB ALA 6 -12.931 -4.824 -10.479 50 2HB ALA 6 2HB ALA 6 -12.237 -3.687 -11.635 51 3HB ALA 6 3HB ALA 6 -11.180 -4.659 -10.611 52 H VAL 7 H VAL 7 -10.438 -7.662 -12.017 53 HA VAL 7 HA VAL 7 -12.370 -9.617 -11.118 54 HB VAL 7 HB VAL 7 -10.494 -11.194 -11.239 55 1HG1 VAL 7 1HG1 VAL 7 -11.608 -11.258 -13.224 56 2HG1 VAL 7 2HG1 VAL 7 -10.043 -10.689 -13.804 57 3HG1 VAL 7 3HG1 VAL 7 -11.356 -9.542 -13.542 58 1HG2 VAL 7 1HG2 VAL 7 -8.901 -8.955 -11.000 59 2HG2 VAL 7 2HG2 VAL 7 -8.689 -9.437 -12.682 60 3HG2 VAL 7 3HG2 VAL 7 -8.352 -10.585 -11.387 61 H ILE 8 H ILE 8 -12.463 -10.534 -9.135 62 HA ILE 8 HA ILE 8 -10.940 -9.203 -7.019 63 HB ILE 8 HB ILE 8 -13.391 -10.965 -6.860 64 1HG1 ILE 8 2HG1 ILE 8 -14.477 -8.865 -6.068 65 2HG1 ILE 8 1HG1 ILE 8 -12.985 -7.998 -6.415 66 1HG2 ILE 8 1HG2 ILE 8 -12.037 -11.310 -4.888 67 2HG2 ILE 8 2HG2 ILE 8 -13.455 -10.345 -4.473 68 3HG2 ILE 8 3HG2 ILE 8 -11.881 -9.569 -4.653 69 1HD1 ILE 8 1HD1 ILE 8 -14.397 -9.550 -8.545 70 2HD1 ILE 8 2HD1 ILE 8 -13.249 -8.221 -8.709 71 3HD1 ILE 8 3HD1 ILE 8 -14.884 -7.908 -8.125 72 H LYS 9 H LYS 9 -9.313 -10.167 -6.013 73 HA LYS 9 HA LYS 9 -8.765 -12.978 -6.567 74 1HB LYS 9 2HB LYS 9 -7.087 -10.866 -5.203 75 2HB LYS 9 1HB LYS 9 -6.562 -12.509 -5.534 76 1HG LYS 9 2HG LYS 9 -7.306 -10.439 -7.590 77 2HG LYS 9 1HG LYS 9 -5.674 -10.967 -7.178 78 1HD LYS 9 2HD LYS 9 -7.854 -12.703 -8.336 79 2HD LYS 9 1HD LYS 9 -6.475 -12.049 -9.223 80 1HE LYS 9 2HE LYS 9 -4.953 -13.300 -7.770 81 2HE LYS 9 1HE LYS 9 -6.331 -13.954 -6.888 82 1HZ LYS 9 1HZ LYS 9 -5.288 -14.681 -9.497 83 2HZ LYS 9 2HZ LYS 9 -6.974 -14.635 -9.374 84 3HZ LYS 9 3HZ LYS 9 -6.077 -15.632 -8.342 85 H ASN 10 H ASN 10 -9.397 -10.808 -3.869 86 HA ASN 10 HA ASN 10 -10.491 -12.881 -2.270 87 1HB ASN 10 2HB ASN 10 -8.842 -12.779 -0.421 88 2HB ASN 10 1HB ASN 10 -8.161 -13.469 -1.890 89 1HD2 ASN 10 1HD2 ASN 10 -7.452 -11.540 0.584 90 2HD2 ASN 10 2HD2 ASN 10 -6.300 -10.485 -0.152 91 H ALA 11 H ALA 11 -11.848 -12.023 -0.777 92 HA ALA 11 HA ALA 11 -11.443 -9.342 0.218 93 1HB ALA 11 1HB ALA 11 -12.554 -9.152 -2.066 94 2HB ALA 11 2HB ALA 11 -13.324 -8.311 -0.723 95 3HB ALA 11 3HB ALA 11 -13.983 -9.842 -1.298 96 H ASP 12 H ASP 12 -12.353 -9.026 2.138 97 HA ASP 12 HA ASP 12 -14.288 -11.010 3.121 98 1HB ASP 12 2HB ASP 12 -12.062 -9.686 4.687 99 2HB ASP 12 1HB ASP 12 -13.267 -10.780 5.358 100 H MET 13 H MET 13 -15.381 -8.959 1.957 101 HA MET 13 HA MET 13 -16.364 -7.283 4.145 102 1HB MET 13 2HB MET 13 -14.731 -5.933 2.936 103 2HB MET 13 1HB MET 13 -15.528 -6.295 1.414 104 1HG MET 13 2HG MET 13 -17.541 -5.129 2.241 105 2HG MET 13 1HG MET 13 -16.649 -4.688 3.694 106 1HE MET 13 1HE MET 13 -13.735 -2.523 2.088 107 2HE MET 13 2HE MET 13 -13.758 -4.244 2.466 108 3HE MET 13 3HE MET 13 -14.419 -3.080 3.614 109 H SER 14 H SER 14 -18.494 -6.446 3.819 110 HA SER 14 HA SER 14 -20.387 -8.178 2.904 111 1HB SER 14 2HB SER 14 -20.591 -5.158 2.933 112 2HB SER 14 1HB SER 14 -21.958 -6.267 2.852 113 HG SER 14 HG SER 14 -20.080 -6.016 4.964 114 H GLU 15 H GLU 15 -21.490 -8.580 1.035 115 HA GLU 15 HA GLU 15 -20.211 -8.350 -1.399 116 1HB GLU 15 2HB GLU 15 -23.168 -8.665 -0.890 117 2HB GLU 15 1HB GLU 15 -22.365 -8.989 -2.420 118 1HG GLU 15 2HG GLU 15 -21.050 -10.752 -1.356 119 2HG GLU 15 1HG GLU 15 -21.861 -10.430 0.175 120 H GLU 16 H GLU 16 -22.825 -6.325 -0.138 121 HA GLU 16 HA GLU 16 -23.133 -4.710 -2.398 122 1HB GLU 16 2HB GLU 16 -24.217 -3.100 -0.886 123 2HB GLU 16 1HB GLU 16 -24.776 -4.744 -0.605 124 1HG GLU 16 2HG GLU 16 -23.300 -4.918 1.330 125 2HG GLU 16 1HG GLU 16 -22.738 -3.271 1.048 126 H MET 17 H MET 17 -21.040 -4.278 0.440 127 HA MET 17 HA MET 17 -20.079 -1.743 -0.227 128 1HB MET 17 2HB MET 17 -18.705 -3.958 1.288 129 2HB MET 17 1HB MET 17 -18.147 -2.292 1.224 130 1HG MET 17 2HG MET 17 -20.240 -1.567 2.273 131 2HG MET 17 1HG MET 17 -20.756 -3.250 2.377 132 1HE MET 17 1HE MET 17 -21.213 -1.991 4.555 133 2HE MET 17 2HE MET 17 -19.957 -1.219 5.524 134 3HE MET 17 3HE MET 17 -20.443 -2.878 5.871 135 H GLN 18 H GLN 18 -18.682 -4.934 -0.954 136 HA GLN 18 HA GLN 18 -16.456 -3.977 -2.353 137 1HB GLN 18 2HB GLN 18 -16.445 -6.251 -3.446 138 2HB GLN 18 1HB GLN 18 -16.413 -6.239 -1.690 139 1HG GLN 18 2HG GLN 18 -18.846 -6.674 -1.688 140 2HG GLN 18 1HG GLN 18 -18.788 -6.802 -3.445 141 1HE2 GLN 18 1HE2 GLN 18 -18.472 -8.426 -0.526 142 2HE2 GLN 18 2HE2 GLN 18 -17.830 -9.909 -1.126 143 H GLN 19 H GLN 19 -19.752 -4.587 -3.445 144 HA GLN 19 HA GLN 19 -19.240 -4.337 -6.209 145 1HB GLN 19 2HB GLN 19 -21.735 -3.782 -4.599 146 2HB GLN 19 1HB GLN 19 -21.683 -3.727 -6.356 147 1HG GLN 19 2HG GLN 19 -21.046 -6.142 -4.676 148 2HG GLN 19 1HG GLN 19 -22.577 -5.842 -5.494 149 1HE2 GLN 19 1HE2 GLN 19 -22.794 -6.882 -7.326 150 2HE2 GLN 19 2HE2 GLN 19 -21.525 -7.330 -8.408 151 H ASP 20 H ASP 20 -20.064 -1.982 -3.719 152 HA ASP 20 HA ASP 20 -20.197 0.258 -5.463 153 1HB ASP 20 2HB ASP 20 -21.260 0.272 -3.247 154 2HB ASP 20 1HB ASP 20 -19.679 0.151 -2.481 155 H SER 21 H SER 21 -17.612 -1.260 -3.630 156 HA SER 21 HA SER 21 -15.706 0.802 -4.030 157 1HB SER 21 2HB SER 21 -14.032 -0.891 -3.379 158 2HB SER 21 1HB SER 21 -15.415 -0.903 -2.282 159 HG SER 21 HG SER 21 -14.722 -2.757 -4.289 160 H VAL 22 H VAL 22 -16.543 -2.136 -5.792 161 HA VAL 22 HA VAL 22 -14.493 -2.017 -7.720 162 HB VAL 22 HB VAL 22 -17.272 -3.162 -8.045 163 1HG1 VAL 22 1HG1 VAL 22 -15.979 -2.809 -10.149 164 2HG1 VAL 22 2HG1 VAL 22 -16.371 -4.497 -9.816 165 3HG1 VAL 22 3HG1 VAL 22 -14.742 -3.893 -9.512 166 1HG2 VAL 22 1HG2 VAL 22 -15.065 -5.009 -7.548 167 2HG2 VAL 22 2HG2 VAL 22 -16.679 -4.950 -6.838 168 3HG2 VAL 22 3HG2 VAL 22 -15.397 -3.923 -6.197 169 H GLU 23 H GLU 23 -17.851 -0.884 -7.813 170 HA GLU 23 HA GLU 23 -17.699 0.315 -10.361 171 1HB GLU 23 2HB GLU 23 -19.847 -0.213 -9.384 172 2HB GLU 23 1HB GLU 23 -19.525 0.833 -8.008 173 1HG GLU 23 2HG GLU 23 -19.586 2.780 -9.439 174 2HG GLU 23 1HG GLU 23 -19.828 1.757 -10.852 175 H CYS 24 H CYS 24 -17.301 1.543 -7.087 176 HA CYS 24 HA CYS 24 -16.895 4.246 -7.702 177 1HB CYS 24 2HB CYS 24 -17.323 3.386 -5.423 178 2HB CYS 24 1HB CYS 24 -15.726 2.646 -5.412 179 HG CYS 24 HG CYS 24 -16.170 5.725 -5.399 180 H ALA 25 H ALA 25 -14.754 1.480 -7.799 181 HA ALA 25 HA ALA 25 -12.321 2.924 -8.010 182 1HB ALA 25 1HB ALA 25 -12.670 0.450 -7.397 183 2HB ALA 25 2HB ALA 25 -11.293 0.867 -8.417 184 3HB ALA 25 3HB ALA 25 -12.747 0.178 -9.139 185 H THR 26 H THR 26 -14.639 1.589 -10.295 186 HA THR 26 HA THR 26 -13.220 2.037 -12.642 187 HB THR 26 HB THR 26 -16.209 2.154 -12.201 188 HG1 THR 26 1HG THR 26 -14.456 0.036 -12.868 189 1HG2 THR 26 1HG2 THR 26 -14.626 2.444 -14.621 190 2HG2 THR 26 2HG2 THR 26 -16.336 2.766 -14.333 191 3HG2 THR 26 3HG2 THR 26 -15.799 1.129 -14.707 192 H GLN 27 H GLN 27 -15.412 4.121 -10.839 193 HA GLN 27 HA GLN 27 -15.384 6.320 -12.586 194 1HB GLN 27 2HB GLN 27 -15.685 6.295 -9.573 195 2HB GLN 27 1HB GLN 27 -16.099 7.640 -10.626 196 1HG GLN 27 2HG GLN 27 -17.802 6.269 -11.712 197 2HG GLN 27 1HG GLN 27 -17.385 4.919 -10.659 198 1HE2 GLN 27 1HE2 GLN 27 -18.743 4.655 -9.054 199 2HE2 GLN 27 2HE2 GLN 27 -19.614 5.900 -8.232 200 H ALA 28 H ALA 28 -13.277 5.361 -9.924 201 HA ALA 28 HA ALA 28 -11.689 7.609 -9.661 202 1HB ALA 28 1HB ALA 28 -10.041 5.267 -9.539 203 2HB ALA 28 2HB ALA 28 -11.606 4.937 -8.797 204 3HB ALA 28 3HB ALA 28 -10.625 6.287 -8.224 205 H LEU 29 H LEU 29 -11.271 4.873 -11.900 206 HA LEU 29 HA LEU 29 -8.937 5.779 -13.133 207 1HB LEU 29 2HB LEU 29 -11.179 4.050 -14.138 208 2HB LEU 29 1HB LEU 29 -9.733 4.366 -15.082 209 HG LEU 29 HG LEU 29 -9.617 3.195 -12.319 210 1HD1 LEU 29 1HD1 LEU 29 -9.454 1.000 -13.321 211 2HD1 LEU 29 2HD1 LEU 29 -9.631 1.690 -14.934 212 3HD1 LEU 29 3HD1 LEU 29 -10.978 1.747 -13.798 213 1HD2 LEU 29 1HD2 LEU 29 -7.411 2.456 -13.037 214 2HD2 LEU 29 2HD2 LEU 29 -7.567 4.207 -13.178 215 3HD2 LEU 29 3HD2 LEU 29 -7.668 3.196 -14.617 216 H GLU 30 H GLU 30 -12.312 6.165 -14.140 217 HA GLU 30 HA GLU 30 -11.796 7.777 -16.387 218 1HB GLU 30 2HB GLU 30 -14.270 7.659 -14.653 219 2HB GLU 30 1HB GLU 30 -14.183 8.387 -16.252 220 1HG GLU 30 2HG GLU 30 -13.638 6.213 -17.217 221 2HG GLU 30 1HG GLU 30 -13.723 5.481 -15.616 222 H LYS 31 H LYS 31 -12.091 8.531 -12.990 223 HA LYS 31 HA LYS 31 -12.324 11.361 -13.418 224 1HB LYS 31 2HB LYS 31 -11.940 9.700 -10.937 225 2HB LYS 31 1HB LYS 31 -12.007 11.457 -10.910 226 1HG LYS 31 2HG LYS 31 -14.255 11.393 -11.853 227 2HG LYS 31 1HG LYS 31 -14.190 9.632 -11.897 228 1HD LYS 31 2HD LYS 31 -13.975 9.562 -9.472 229 2HD LYS 31 1HD LYS 31 -13.978 11.326 -9.409 230 1HE LYS 31 2HE LYS 31 -16.238 11.358 -10.338 231 2HE LYS 31 1HE LYS 31 -16.234 9.596 -10.421 232 1HZ LYS 31 1HZ LYS 31 -16.051 11.227 -7.944 233 2HZ LYS 31 2HZ LYS 31 -15.999 9.537 -8.004 234 3HZ LYS 31 3HZ LYS 31 -17.405 10.356 -8.466 235 H TYR 32 H TYR 32 -9.732 9.125 -12.520 236 HA TYR 32 HA TYR 32 -7.853 11.299 -13.076 237 1HB TYR 32 2HB TYR 32 -7.571 9.474 -10.689 238 2HB TYR 32 1HB TYR 32 -6.489 10.784 -11.141 239 HD1 TYR 32 1HD TYR 32 -10.072 10.188 -10.268 240 HD2 TYR 32 2HD TYR 32 -6.749 12.841 -10.117 241 HE1 TYR 32 1HE TYR 32 -11.375 11.734 -8.867 242 HE2 TYR 32 2HE TYR 32 -8.044 14.392 -8.718 243 HH TYR 32 HH TYR 32 -11.005 13.526 -7.266 244 H ASN 33 H ASN 33 -7.904 7.835 -12.188 245 HA ASN 33 HA ASN 33 -6.829 6.034 -13.070 246 1HB ASN 33 2HB ASN 33 -7.839 6.678 -15.197 247 2HB ASN 33 1HB ASN 33 -6.538 7.823 -15.497 248 1HD2 ASN 33 1HD2 ASN 33 -5.119 7.123 -16.901 249 2HD2 ASN 33 2HD2 ASN 33 -4.640 5.481 -17.145 250 H ILE 34 H ILE 34 -5.344 7.406 -11.321 251 HA ILE 34 HA ILE 34 -2.652 7.219 -12.482 252 HB ILE 34 HB ILE 34 -3.486 9.407 -10.574 253 1HG1 ILE 34 2HG1 ILE 34 -2.867 9.547 -13.535 254 2HG1 ILE 34 1HG1 ILE 34 -4.460 9.742 -12.809 255 1HG2 ILE 34 1HG2 ILE 34 -1.134 10.188 -11.675 256 2HG2 ILE 34 2HG2 ILE 34 -0.907 8.441 -11.595 257 3HG2 ILE 34 3HG2 ILE 34 -1.282 9.349 -10.131 258 1HD1 ILE 34 1HD1 ILE 34 -2.930 11.604 -11.483 259 2HD1 ILE 34 2HD1 ILE 34 -4.031 11.918 -12.825 260 3HD1 ILE 34 3HD1 ILE 34 -2.313 11.661 -13.135 261 H GLU 35 H GLU 35 -4.247 5.399 -10.867 262 HA GLU 35 HA GLU 35 -4.021 3.969 -9.121 263 1HB GLU 35 2HB GLU 35 -1.212 5.075 -9.048 264 2HB GLU 35 1HB GLU 35 -1.750 3.602 -8.253 265 1HG GLU 35 2HG GLU 35 -2.267 2.608 -10.413 266 2HG GLU 35 1HG GLU 35 -1.764 4.091 -11.223 267 H LYS 36 H LYS 36 -1.924 6.630 -8.014 268 HA LYS 36 HA LYS 36 -2.720 6.515 -5.340 269 1HB LYS 36 2HB LYS 36 -0.690 7.671 -6.136 270 2HB LYS 36 1HB LYS 36 -1.696 8.914 -6.867 271 1HG LYS 36 2HG LYS 36 -2.628 9.270 -4.504 272 2HG LYS 36 1HG LYS 36 -1.225 8.347 -3.965 273 1HD LYS 36 2HD LYS 36 -0.631 10.648 -3.859 274 2HD LYS 36 1HD LYS 36 0.205 9.961 -5.254 275 1HE LYS 36 2HE LYS 36 -0.739 12.118 -5.828 276 2HE LYS 36 1HE LYS 36 -1.557 10.840 -6.723 277 1HZ LYS 36 1HZ LYS 36 -2.841 12.747 -5.405 278 2HZ LYS 36 2HZ LYS 36 -2.751 11.585 -4.181 279 3HZ LYS 36 3HZ LYS 36 -3.488 11.203 -5.654 280 H ASP 37 H ASP 37 -3.742 8.818 -7.857 281 HA ASP 37 HA ASP 37 -5.564 10.283 -6.383 282 1HB ASP 37 2HB ASP 37 -5.740 9.514 -9.305 283 2HB ASP 37 1HB ASP 37 -6.653 10.811 -8.540 284 H ILE 38 H ILE 38 -6.020 7.224 -8.072 285 HA ILE 38 HA ILE 38 -8.771 6.933 -7.851 286 HB ILE 38 HB ILE 38 -6.637 4.797 -7.665 287 1HG1 ILE 38 2HG1 ILE 38 -8.218 5.846 -10.022 288 2HG1 ILE 38 1HG1 ILE 38 -6.506 6.121 -9.719 289 1HG2 ILE 38 1HG2 ILE 38 -8.263 3.346 -7.266 290 2HG2 ILE 38 2HG2 ILE 38 -8.968 3.758 -8.829 291 3HG2 ILE 38 3HG2 ILE 38 -9.478 4.617 -7.379 292 1HD1 ILE 38 1HD1 ILE 38 -7.042 3.314 -9.706 293 2HD1 ILE 38 2HD1 ILE 38 -5.986 4.248 -10.764 294 3HD1 ILE 38 3HD1 ILE 38 -7.688 4.045 -11.176 295 H ALA 39 H ALA 39 -6.245 5.874 -5.595 296 HA ALA 39 HA ALA 39 -7.997 4.853 -3.633 297 1HB ALA 39 1HB ALA 39 -5.130 5.756 -3.470 298 2HB ALA 39 2HB ALA 39 -5.727 4.112 -3.689 299 3HB ALA 39 3HB ALA 39 -5.987 4.950 -2.158 300 H ALA 40 H ALA 40 -6.741 8.061 -4.248 301 HA ALA 40 HA ALA 40 -7.191 9.181 -1.713 302 1HB ALA 40 1HB ALA 40 -7.420 11.345 -3.198 303 2HB ALA 40 2HB ALA 40 -6.820 10.262 -4.454 304 3HB ALA 40 3HB ALA 40 -5.871 10.529 -2.990 305 H HIS 41 H HIS 41 -9.244 9.405 -4.629 306 HA HIS 41 HA HIS 41 -11.351 10.713 -3.256 307 1HB HIS 41 2HB HIS 41 -12.285 10.941 -5.298 308 2HB HIS 41 1HB HIS 41 -10.714 10.391 -5.864 309 HD1 HIS 41 1HD HIS 41 -14.173 9.045 -5.142 310 HD2 HIS 41 2HD HIS 41 -10.761 8.063 -7.300 311 HE1 HIS 41 1HE HIS 41 -14.817 7.062 -6.540 312 HE2 HIS 41 2HE HIS 41 -12.785 6.567 -7.933 313 H ILE 42 H ILE 42 -10.889 7.327 -4.254 314 HA ILE 42 HA ILE 42 -13.401 6.396 -3.401 315 HB ILE 42 HB ILE 42 -10.811 4.852 -3.579 316 1HG1 ILE 42 2HG1 ILE 42 -13.036 5.171 -5.595 317 2HG1 ILE 42 1HG1 ILE 42 -11.463 5.955 -5.686 318 1HG2 ILE 42 1HG2 ILE 42 -13.342 4.083 -2.570 319 2HG2 ILE 42 2HG2 ILE 42 -11.917 3.079 -2.838 320 3HG2 ILE 42 3HG2 ILE 42 -13.111 3.271 -4.120 321 1HD1 ILE 42 1HD1 ILE 42 -11.247 4.139 -7.093 322 2HD1 ILE 42 2HD1 ILE 42 -12.153 3.072 -6.023 323 3HD1 ILE 42 3HD1 ILE 42 -10.517 3.569 -5.595 324 H LYS 43 H LYS 43 -10.263 6.422 -1.719 325 HA LYS 43 HA LYS 43 -11.136 5.120 0.606 326 1HB LYS 43 2HB LYS 43 -8.751 5.553 -0.119 327 2HB LYS 43 1HB LYS 43 -8.946 7.191 0.483 328 1HG LYS 43 2HG LYS 43 -9.278 4.711 2.159 329 2HG LYS 43 1HG LYS 43 -7.791 5.650 2.046 330 1HD LYS 43 2HD LYS 43 -10.448 6.595 3.115 331 2HD LYS 43 1HD LYS 43 -8.990 6.275 4.044 332 1HE LYS 43 2HE LYS 43 -7.840 8.064 2.811 333 2HE LYS 43 1HE LYS 43 -9.338 8.419 1.956 334 1HZ LYS 43 1HZ LYS 43 -8.529 9.510 4.328 335 2HZ LYS 43 2HZ LYS 43 -9.707 8.387 4.786 336 3HZ LYS 43 3HZ LYS 43 -10.085 9.598 3.667 337 H LYS 44 H LYS 44 -10.746 8.629 0.003 338 HA LYS 44 HA LYS 44 -11.665 9.457 2.498 339 1HB LYS 44 2HB LYS 44 -12.058 11.648 1.476 340 2HB LYS 44 1HB LYS 44 -10.514 10.972 0.984 341 1HG LYS 44 2HG LYS 44 -11.272 11.790 -1.003 342 2HG LYS 44 1HG LYS 44 -11.885 10.139 -1.085 343 1HD LYS 44 2HD LYS 44 -14.074 10.893 -0.337 344 2HD LYS 44 1HD LYS 44 -13.465 12.536 -0.156 345 1HE LYS 44 2HE LYS 44 -13.011 12.629 -2.557 346 2HE LYS 44 1HE LYS 44 -13.620 10.985 -2.737 347 1HZ LYS 44 1HZ LYS 44 -15.463 12.187 -3.276 348 2HZ LYS 44 2HZ LYS 44 -15.096 13.464 -2.232 349 3HZ LYS 44 3HZ LYS 44 -15.720 12.021 -1.611 350 H GLU 45 H GLU 45 -13.485 8.558 -0.374 351 HA GLU 45 HA GLU 45 -15.985 9.571 0.467 352 1HB GLU 45 2HB GLU 45 -15.557 8.872 -1.846 353 2HB GLU 45 1HB GLU 45 -15.376 7.204 -1.319 354 1HG GLU 45 2HG GLU 45 -17.707 7.177 -0.598 355 2HG GLU 45 1HG GLU 45 -17.889 8.850 -1.123 356 H PHE 46 H PHE 46 -14.603 6.294 0.723 357 HA PHE 46 HA PHE 46 -16.740 5.225 2.233 358 1HB PHE 46 2HB PHE 46 -13.883 4.359 1.831 359 2HB PHE 46 1HB PHE 46 -14.998 3.460 2.848 360 HD1 PHE 46 1HD PHE 46 -17.334 2.963 1.657 361 HD2 PHE 46 2HD PHE 46 -13.638 3.650 -0.334 362 HE1 PHE 46 1HE PHE 46 -18.169 1.737 -0.303 363 HE2 PHE 46 2HE PHE 46 -14.467 2.430 -2.303 364 HZ PHE 46 HZ PHE 46 -16.736 1.468 -2.292 365 H ASP 47 H ASP 47 -13.615 6.583 3.150 366 HA ASP 47 HA ASP 47 -13.584 6.097 5.857 367 1HB ASP 47 2HB ASP 47 -11.816 7.204 4.360 368 2HB ASP 47 1HB ASP 47 -12.688 8.706 4.639 369 H LYS 48 H LYS 48 -15.072 8.775 4.113 370 HA LYS 48 HA LYS 48 -16.109 10.021 6.475 371 1HB LYS 48 2HB LYS 48 -15.480 11.408 4.628 372 2HB LYS 48 1HB LYS 48 -16.516 10.511 3.529 373 1HG LYS 48 2HG LYS 48 -17.489 12.652 4.089 374 2HG LYS 48 1HG LYS 48 -18.483 11.332 4.706 375 1HD LYS 48 2HD LYS 48 -18.283 13.111 6.363 376 2HD LYS 48 1HD LYS 48 -17.500 11.634 6.930 377 1HE LYS 48 2HE LYS 48 -16.134 13.596 7.417 378 2HE LYS 48 1HE LYS 48 -15.325 12.527 6.273 379 1HZ LYS 48 1HZ LYS 48 -15.449 14.042 4.632 380 2HZ LYS 48 2HZ LYS 48 -15.560 15.144 5.910 381 3HZ LYS 48 3HZ LYS 48 -16.960 14.630 5.113 382 H LYS 49 H LYS 49 -17.487 8.147 3.810 383 HA LYS 49 HA LYS 49 -20.172 8.350 4.719 384 1HB LYS 49 2HB LYS 49 -18.859 6.475 2.762 385 2HB LYS 49 1HB LYS 49 -20.592 6.526 3.057 386 1HG LYS 49 2HG LYS 49 -18.902 8.780 1.997 387 2HG LYS 49 1HG LYS 49 -20.025 7.783 1.070 388 1HD LYS 49 2HD LYS 49 -21.872 8.590 2.466 389 2HD LYS 49 1HD LYS 49 -20.741 9.601 3.363 390 1HE LYS 49 2HE LYS 49 -21.348 9.811 0.417 391 2HE LYS 49 1HE LYS 49 -21.946 10.894 1.673 392 1HZ LYS 49 1HZ LYS 49 -19.118 10.519 0.850 393 2HZ LYS 49 2HZ LYS 49 -19.608 11.454 2.171 394 3HZ LYS 49 3HZ LYS 49 -20.073 11.895 0.606 395 H TYR 50 H TYR 50 -18.140 5.470 4.486 396 HA TYR 50 HA TYR 50 -19.813 4.049 6.333 397 1HB TYR 50 2HB TYR 50 -17.241 3.275 4.960 398 2HB TYR 50 1HB TYR 50 -18.190 2.189 5.974 399 HD1 TYR 50 1HD TYR 50 -18.813 4.539 3.125 400 HD2 TYR 50 2HD TYR 50 -19.561 0.723 4.844 401 HE1 TYR 50 1HE TYR 50 -20.218 3.963 1.204 402 HE2 TYR 50 2HE TYR 50 -20.966 0.127 2.915 403 HH TYR 50 HH TYR 50 -21.024 1.948 0.050 404 H ASN 51 H ASN 51 -17.223 6.153 6.714 405 HA ASN 51 HA ASN 51 -16.414 6.948 8.733 406 1HB ASN 51 2HB ASN 51 -17.062 4.254 9.953 407 2HB ASN 51 1HB ASN 51 -16.548 5.703 10.805 408 1HD2 ASN 51 1HD2 ASN 51 -19.136 3.861 10.134 409 2HD2 ASN 51 2HD2 ASN 51 -20.393 5.037 10.281 410 HA PRO 52 HA PRO 52 -12.355 5.539 7.949 411 1HB PRO 52 2HB PRO 52 -11.058 6.511 10.156 412 2HB PRO 52 1HB PRO 52 -11.570 7.524 8.804 413 1HG PRO 52 2HG PRO 52 -12.918 7.063 11.436 414 2HG PRO 52 1HG PRO 52 -12.675 8.582 10.554 415 1HD PRO 52 2HD PRO 52 -15.026 7.280 10.505 416 2HD PRO 52 1HD PRO 52 -14.414 8.154 9.087 417 H THR 53 H THR 53 -10.920 3.003 10.059 418 HA THR 53 HA THR 53 -10.552 5.279 8.231 419 HB THR 53 HB THR 53 -9.066 5.313 10.192 420 HG1 THR 53 1HG THR 53 -7.112 5.462 8.989 421 1HG2 THR 53 1HG2 THR 53 -8.817 2.986 10.695 422 2HG2 THR 53 2HG2 THR 53 -7.234 3.680 10.353 423 3HG2 THR 53 3HG2 THR 53 -8.044 2.692 9.140 424 H TRP 54 H TRP 54 -10.347 4.819 6.147 425 HA TRP 54 HA TRP 54 -9.998 2.025 5.375 426 1HB TRP 54 2HB TRP 54 -10.913 4.409 3.772 427 2HB TRP 54 1HB TRP 54 -10.788 2.765 3.152 428 HD1 TRP 54 HD TRP 54 -12.532 4.416 6.209 429 HE1 TRP 54 1HE TRP 54 -14.875 3.386 6.422 430 HE3 TRP 54 3HE TRP 54 -12.332 1.149 2.284 431 HZ2 TRP 54 2HZ TRP 54 -16.445 1.445 5.088 432 HZ3 TRP 54 3HZ TRP 54 -14.298 -0.259 1.819 433 HH2 TRP 54 HH TRP 54 -16.309 -0.114 3.196 434 H HIS 55 H HIS 55 -8.280 1.253 4.383 435 HA HIS 55 HA HIS 55 -6.188 3.154 3.558 436 1HB HIS 55 2HB HIS 55 -5.752 0.241 4.201 437 2HB HIS 55 1HB HIS 55 -4.571 1.551 4.185 438 HD1 HIS 55 1HD HIS 55 -5.583 3.579 6.033 439 HD2 HIS 55 2HD HIS 55 -6.228 -0.451 6.754 440 HE1 HIS 55 1HE HIS 55 -5.998 3.413 8.497 441 HE2 HIS 55 2HE HIS 55 -6.277 0.943 8.938 442 H CYS 56 H CYS 56 -5.395 3.034 1.472 443 HA CYS 56 HA CYS 56 -6.299 0.790 -0.183 444 1HB CYS 56 2HB CYS 56 -7.986 2.541 -0.450 445 2HB CYS 56 1HB CYS 56 -6.734 3.691 -0.903 446 HG CYS 56 HG CYS 56 -7.788 1.404 -2.697 447 H ILE 57 H ILE 57 -5.132 0.403 -2.050 448 HA ILE 57 HA ILE 57 -2.780 2.005 -2.649 449 HB ILE 57 HB ILE 57 -2.545 -0.932 -1.965 450 1HG1 ILE 57 2HG1 ILE 57 -1.543 1.505 -0.474 451 2HG1 ILE 57 1HG1 ILE 57 -2.848 0.442 0.047 452 1HG2 ILE 57 1HG2 ILE 57 -0.081 -0.412 -2.152 453 2HG2 ILE 57 2HG2 ILE 57 -0.549 1.110 -2.909 454 3HG2 ILE 57 3HG2 ILE 57 -0.984 -0.420 -3.668 455 1HD1 ILE 57 1HD1 ILE 57 -1.255 -1.406 0.220 456 2HD1 ILE 57 2HD1 ILE 57 -0.809 -0.046 1.249 457 3HD1 ILE 57 3HD1 ILE 57 0.045 -0.320 -0.269 458 H VAL 58 H VAL 58 -2.009 1.651 -4.785 459 HA VAL 58 HA VAL 58 -3.247 -0.415 -6.394 460 HB VAL 58 HB VAL 58 -3.704 2.494 -7.067 461 1HG1 VAL 58 1HG1 VAL 58 -4.227 -0.060 -8.529 462 2HG1 VAL 58 2HG1 VAL 58 -3.553 1.456 -9.126 463 3HG1 VAL 58 3HG1 VAL 58 -5.279 1.333 -8.780 464 1HG2 VAL 58 1HG2 VAL 58 -6.112 1.900 -6.753 465 2HG2 VAL 58 2HG2 VAL 58 -5.157 1.889 -5.269 466 3HG2 VAL 58 3HG2 VAL 58 -5.584 0.368 -6.054 467 H GLY 59 H GLY 59 -2.044 -0.998 -8.107 468 1HA GLY 59 2HA GLY 59 -0.250 0.628 -9.525 469 2HA GLY 59 1HA GLY 59 0.649 -0.215 -8.271 470 H ARG 60 H ARG 60 1.796 -1.687 -9.418 471 HA ARG 60 HA ARG 60 0.542 -4.026 -10.313 472 1HB ARG 60 2HB ARG 60 1.080 -3.845 -12.765 473 2HB ARG 60 1HB ARG 60 -0.267 -2.863 -12.209 474 1HG ARG 60 2HG ARG 60 1.030 -1.579 -13.744 475 2HG ARG 60 1HG ARG 60 1.258 -0.908 -12.131 476 1HD ARG 60 2HD ARG 60 3.410 -1.923 -11.933 477 2HD ARG 60 1HD ARG 60 3.166 -2.858 -13.409 478 HE ARG 60 HE ARG 60 4.168 -0.224 -13.228 479 1HH1 ARG 60 1HH1 ARG 60 2.096 -2.228 -15.200 480 2HH1 ARG 60 2HH1 ARG 60 2.332 -1.280 -16.629 481 1HH2 ARG 60 1HH2 ARG 60 4.481 1.018 -15.110 482 2HH2 ARG 60 2HH2 ARG 60 3.687 0.561 -16.579 483 H ASN 61 H ASN 61 2.734 -3.336 -8.704 484 HA ASN 61 HA ASN 61 4.585 -5.270 -9.254 485 1HB ASN 61 2HB ASN 61 5.179 -4.003 -11.287 486 2HB ASN 61 1HB ASN 61 5.544 -2.593 -10.304 487 1HD2 ASN 61 1HD2 ASN 61 6.460 -5.492 -8.786 488 2HD2 ASN 61 2HD2 ASN 61 8.135 -5.443 -9.190 489 H PHE 62 H PHE 62 3.865 -4.986 -6.909 490 HA PHE 62 HA PHE 62 6.051 -3.923 -5.413 491 1HB PHE 62 2HB PHE 62 4.882 -2.207 -4.165 492 2HB PHE 62 1HB PHE 62 4.809 -1.834 -5.884 493 HD1 PHE 62 1HD PHE 62 2.676 -2.519 -7.135 494 HD2 PHE 62 2HD PHE 62 2.939 -2.299 -2.899 495 HE1 PHE 62 1HE PHE 62 0.223 -2.384 -6.998 496 HE2 PHE 62 2HE PHE 62 0.488 -2.159 -2.750 497 HZ PHE 62 HZ PHE 62 -0.877 -2.201 -4.801 498 H GLY 63 H GLY 63 6.254 -4.938 -3.529 499 1HA GLY 63 2HA GLY 63 4.353 -6.959 -2.773 500 2HA GLY 63 1HA GLY 63 5.822 -6.530 -1.900 501 H SER 64 H SER 64 2.890 -6.922 -1.053 502 HA SER 64 HA SER 64 2.774 -4.414 0.468 503 1HB SER 64 2HB SER 64 0.428 -5.713 -0.923 504 2HB SER 64 1HB SER 64 0.318 -4.343 0.183 505 HG SER 64 HG SER 64 1.831 -3.285 -1.320 506 H TYR 65 H TYR 65 1.999 -4.481 2.487 507 HA TYR 65 HA TYR 65 0.871 -6.919 3.586 508 1HB TYR 65 2HB TYR 65 3.313 -7.211 3.883 509 2HB TYR 65 1HB TYR 65 3.383 -5.674 4.739 510 HD1 TYR 65 1HD TYR 65 1.762 -5.499 6.824 511 HD2 TYR 65 2HD TYR 65 3.115 -9.152 5.116 512 HE1 TYR 65 1HE TYR 65 1.271 -6.661 8.934 513 HE2 TYR 65 2HE TYR 65 2.631 -10.325 7.223 514 HH TYR 65 HH TYR 65 2.198 -9.997 9.461 515 H VAL 66 H VAL 66 -0.615 -6.448 5.129 516 HA VAL 66 HA VAL 66 -0.563 -3.903 6.532 517 HB VAL 66 HB VAL 66 -2.896 -4.603 4.745 518 1HG1 VAL 66 1HG1 VAL 66 -3.389 -2.111 5.240 519 2HG1 VAL 66 2HG1 VAL 66 -2.318 -2.349 6.613 520 3HG1 VAL 66 3HG1 VAL 66 -3.776 -3.324 6.459 521 1HG2 VAL 66 1HG2 VAL 66 -1.081 -4.000 3.311 522 2HG2 VAL 66 2HG2 VAL 66 -0.668 -2.616 4.323 523 3HG2 VAL 66 3HG2 VAL 66 -2.173 -2.619 3.405 524 H THR 67 H THR 67 -2.455 -3.706 8.036 525 HA THR 67 HA THR 67 -3.576 -6.311 8.813 526 HB THR 67 HB THR 67 -2.383 -4.238 10.671 527 HG1 THR 67 1HG THR 67 -0.914 -5.693 9.604 528 1HG2 THR 67 1HG2 THR 67 -2.882 -6.603 12.068 529 2HG2 THR 67 2HG2 THR 67 -4.371 -6.228 11.201 530 3HG2 THR 67 3HG2 THR 67 -3.659 -5.036 12.288 531 H HIS 68 H HIS 68 -5.681 -6.268 9.491 532 HA HIS 68 HA HIS 68 -7.025 -3.722 9.915 533 1HB HIS 68 2HB HIS 68 -8.674 -4.203 8.109 534 2HB HIS 68 1HB HIS 68 -7.048 -3.892 7.501 535 HD1 HIS 68 1HD HIS 68 -9.467 -6.728 8.076 536 HD2 HIS 68 2HD HIS 68 -5.874 -5.979 6.127 537 HE1 HIS 68 1HE HIS 68 -9.008 -8.781 6.702 538 HE2 HIS 68 2HE HIS 68 -6.795 -8.334 5.584 539 H GLU 69 H GLU 69 -9.145 -3.927 10.734 540 HA GLU 69 HA GLU 69 -9.515 -5.977 12.576 541 1HB GLU 69 2HB GLU 69 -10.510 -3.732 12.746 542 2HB GLU 69 1HB GLU 69 -11.586 -4.110 11.416 543 1HG GLU 69 2HG GLU 69 -12.742 -4.288 13.519 544 2HG GLU 69 1HG GLU 69 -12.624 -5.871 12.758 545 H THR 70 H THR 70 -12.493 -5.728 10.879 546 HA THR 70 HA THR 70 -12.107 -7.960 9.125 547 HB THR 70 HB THR 70 -13.682 -9.482 10.320 548 HG1 THR 70 1HG THR 70 -14.515 -7.728 11.681 549 1HG2 THR 70 1HG2 THR 70 -11.172 -9.685 10.559 550 2HG2 THR 70 2HG2 THR 70 -12.157 -10.437 11.815 551 3HG2 THR 70 3HG2 THR 70 -11.364 -8.892 12.124 552 H LYS 71 H LYS 71 -14.040 -8.621 8.024 553 HA LYS 71 HA LYS 71 -15.972 -8.262 6.900 554 1HB LYS 71 2HB LYS 71 -16.703 -6.544 9.280 555 2HB LYS 71 1HB LYS 71 -17.818 -7.086 8.034 556 1HG LYS 71 2HG LYS 71 -16.265 -9.100 9.585 557 2HG LYS 71 1HG LYS 71 -17.670 -8.330 10.316 558 1HD LYS 71 2HD LYS 71 -18.297 -10.432 9.271 559 2HD LYS 71 1HD LYS 71 -19.052 -9.077 8.432 560 1HE LYS 71 2HE LYS 71 -17.453 -9.215 6.651 561 2HE LYS 71 1HE LYS 71 -16.513 -10.425 7.524 562 1HZ LYS 71 1HZ LYS 71 -17.697 -11.869 6.322 563 2HZ LYS 71 2HZ LYS 71 -18.889 -10.738 5.922 564 3HZ LYS 71 3HZ LYS 71 -18.960 -11.551 7.403 565 H HIS 72 H HIS 72 -13.755 -6.688 6.253 566 HA HIS 72 HA HIS 72 -14.967 -4.765 4.629 567 1HB HIS 72 2HB HIS 72 -13.843 -2.725 5.703 568 2HB HIS 72 1HB HIS 72 -15.341 -3.316 6.409 569 HD1 HIS 72 1HD HIS 72 -11.647 -4.089 6.991 570 HD2 HIS 72 2HD HIS 72 -15.148 -3.282 9.077 571 HE1 HIS 72 1HE HIS 72 -11.010 -4.149 9.423 572 HE2 HIS 72 2HE HIS 72 -13.118 -3.507 10.653 573 H PHE 73 H PHE 73 -13.311 -6.672 3.947 574 HA PHE 73 HA PHE 73 -10.888 -5.221 3.173 575 1HB PHE 73 2HB PHE 73 -10.115 -6.771 4.830 576 2HB PHE 73 1HB PHE 73 -11.057 -8.081 4.128 577 HD1 PHE 73 1HD PHE 73 -10.436 -8.823 1.754 578 HD2 PHE 73 2HD PHE 73 -7.891 -6.469 4.217 579 HE1 PHE 73 1HE PHE 73 -8.509 -9.483 0.377 580 HE2 PHE 73 2HE PHE 73 -5.956 -7.122 2.845 581 HZ PHE 73 HZ PHE 73 -6.262 -8.633 0.925 582 H ILE 74 H ILE 74 -10.260 -5.467 1.043 583 HA ILE 74 HA ILE 74 -11.385 -7.526 -0.614 584 HB ILE 74 HB ILE 74 -13.324 -6.055 -0.493 585 1HG1 ILE 74 2HG1 ILE 74 -11.911 -5.895 -3.166 586 2HG1 ILE 74 1HG1 ILE 74 -12.893 -7.241 -2.600 587 1HG2 ILE 74 1HG2 ILE 74 -12.168 -3.973 0.031 588 2HG2 ILE 74 2HG2 ILE 74 -13.245 -3.772 -1.352 589 3HG2 ILE 74 3HG2 ILE 74 -11.506 -3.923 -1.603 590 1HD1 ILE 74 1HD1 ILE 74 -14.661 -5.230 -2.356 591 2HD1 ILE 74 2HD1 ILE 74 -14.486 -6.222 -3.803 592 3HD1 ILE 74 3HD1 ILE 74 -13.699 -4.648 -3.713 593 H TYR 75 H TYR 75 -10.110 -7.938 -2.247 594 HA TYR 75 HA TYR 75 -8.275 -5.860 -3.237 595 1HB TYR 75 2HB TYR 75 -7.062 -7.430 -1.749 596 2HB TYR 75 1HB TYR 75 -7.584 -8.773 -2.761 597 HD1 TYR 75 1HD TYR 75 -6.033 -5.423 -3.375 598 HD2 TYR 75 2HD TYR 75 -5.894 -9.618 -4.067 599 HE1 TYR 75 1HE TYR 75 -4.036 -5.120 -4.778 600 HE2 TYR 75 2HE TYR 75 -3.897 -9.328 -5.471 601 HH TYR 75 HH TYR 75 -2.200 -6.315 -5.649 602 H PHE 76 H PHE 76 -8.195 -5.709 -5.450 603 HA PHE 76 HA PHE 76 -8.882 -7.914 -7.146 604 1HB PHE 76 2HB PHE 76 -10.909 -6.870 -8.129 605 2HB PHE 76 1HB PHE 76 -11.124 -7.338 -6.445 606 HD1 PHE 76 1HD PHE 76 -10.428 -5.351 -4.746 607 HD2 PHE 76 2HD PHE 76 -11.792 -4.864 -8.745 608 HE1 PHE 76 1HE PHE 76 -11.158 -3.064 -4.215 609 HE2 PHE 76 2HE PHE 76 -12.524 -2.575 -8.223 610 HZ PHE 76 HZ PHE 76 -12.207 -1.672 -5.953 611 H TYR 77 H TYR 77 -8.178 -7.654 -9.189 612 HA TYR 77 HA TYR 77 -6.672 -5.250 -9.798 613 1HB TYR 77 2HB TYR 77 -6.980 -7.868 -11.280 614 2HB TYR 77 1HB TYR 77 -5.972 -6.536 -11.833 615 HD1 TYR 77 1HD TYR 77 -6.481 -8.467 -8.661 616 HD2 TYR 77 2HD TYR 77 -3.727 -6.766 -11.421 617 HE1 TYR 77 1HE TYR 77 -4.611 -9.332 -7.322 618 HE2 TYR 77 2HE TYR 77 -1.849 -7.627 -10.086 619 HH TYR 77 HH TYR 77 -1.453 -9.479 -8.446 620 H LEU 78 H LEU 78 -6.921 -4.098 -11.830 621 HA LEU 78 HA LEU 78 -9.368 -4.480 -13.324 622 1HB LEU 78 2HB LEU 78 -10.165 -3.171 -11.434 623 2HB LEU 78 1HB LEU 78 -8.913 -1.976 -11.703 624 HG LEU 78 HG LEU 78 -9.932 -1.359 -13.840 625 1HD1 LEU 78 1HD1 LEU 78 -11.230 -3.850 -13.588 626 2HD1 LEU 78 2HD1 LEU 78 -11.354 -2.685 -14.904 627 3HD1 LEU 78 3HD1 LEU 78 -12.483 -2.611 -13.552 628 1HD2 LEU 78 1HD2 LEU 78 -11.925 -1.376 -11.578 629 2HD2 LEU 78 2HD2 LEU 78 -11.916 -0.279 -12.958 630 3HD2 LEU 78 3HD2 LEU 78 -10.612 -0.216 -11.773 631 H GLY 79 H GLY 79 -9.136 -3.873 -15.379 632 1HA GLY 79 2HA GLY 79 -8.263 -2.960 -17.292 633 2HA GLY 79 1HA GLY 79 -7.591 -1.684 -16.287 634 H GLN 80 H GLN 80 -5.708 -2.511 -14.878 635 HA GLN 80 HA GLN 80 -4.121 -4.644 -15.642 636 1HB GLN 80 2HB GLN 80 -2.344 -3.522 -16.937 637 2HB GLN 80 1HB GLN 80 -3.876 -3.532 -17.797 638 1HG GLN 80 2HG GLN 80 -4.267 -1.215 -17.133 639 2HG GLN 80 1HG GLN 80 -2.733 -1.207 -16.263 640 1HE2 GLN 80 1HE2 GLN 80 -4.173 -0.256 -19.019 641 2HE2 GLN 80 2HE2 GLN 80 -2.809 -0.205 -20.077 642 H VAL 81 H VAL 81 -4.924 -3.308 -13.304 643 HA VAL 81 HA VAL 81 -2.350 -2.946 -12.041 644 HB VAL 81 HB VAL 81 -2.910 -0.766 -11.028 645 1HG1 VAL 81 1HG1 VAL 81 -2.323 0.588 -12.901 646 2HG1 VAL 81 2HG1 VAL 81 -2.982 -0.593 -14.033 647 3HG1 VAL 81 3HG1 VAL 81 -1.530 -0.973 -13.106 648 1HG2 VAL 81 1HG2 VAL 81 -4.716 0.556 -12.325 649 2HG2 VAL 81 2HG2 VAL 81 -5.222 -0.574 -11.069 650 3HG2 VAL 81 3HG2 VAL 81 -5.331 -1.037 -12.768 651 H ALA 82 H ALA 82 -2.391 -3.719 -10.024 652 HA ALA 82 HA ALA 82 -4.755 -4.912 -8.991 653 1HB ALA 82 1HB ALA 82 -1.949 -4.968 -8.421 654 2HB ALA 82 2HB ALA 82 -3.201 -6.126 -7.972 655 3HB ALA 82 3HB ALA 82 -2.855 -4.751 -6.923 656 H ILE 83 H ILE 83 -6.102 -4.286 -7.363 657 HA ILE 83 HA ILE 83 -5.625 -1.628 -6.181 658 HB ILE 83 HB ILE 83 -8.302 -2.741 -7.037 659 1HG1 ILE 83 2HG1 ILE 83 -6.648 -0.484 -8.195 660 2HG1 ILE 83 1HG1 ILE 83 -6.912 -2.056 -8.946 661 1HG2 ILE 83 1HG2 ILE 83 -7.494 -0.464 -5.359 662 2HG2 ILE 83 2HG2 ILE 83 -9.007 -1.370 -5.397 663 3HG2 ILE 83 3HG2 ILE 83 -8.705 -0.107 -6.588 664 1HD1 ILE 83 1HD1 ILE 83 -8.382 0.213 -9.385 665 2HD1 ILE 83 2HD1 ILE 83 -9.389 -0.699 -8.260 666 3HD1 ILE 83 3HD1 ILE 83 -8.877 -1.434 -9.780 667 H LEU 84 H LEU 84 -5.794 -1.503 -4.030 668 HA LEU 84 HA LEU 84 -7.050 -3.749 -2.593 669 1HB LEU 84 2HB LEU 84 -4.600 -3.893 -2.489 670 2HB LEU 84 1HB LEU 84 -4.531 -2.269 -1.831 671 HG LEU 84 HG LEU 84 -5.725 -3.030 0.179 672 1HD1 LEU 84 1HD1 LEU 84 -5.462 -5.804 -0.967 673 2HD1 LEU 84 2HD1 LEU 84 -6.960 -4.873 -0.956 674 3HD1 LEU 84 3HD1 LEU 84 -6.203 -5.343 0.565 675 1HD2 LEU 84 1HD2 LEU 84 -3.765 -3.543 1.108 676 2HD2 LEU 84 2HD2 LEU 84 -3.086 -3.506 -0.519 677 3HD2 LEU 84 3HD2 LEU 84 -3.628 -5.034 0.177 678 H LEU 85 H LEU 85 -8.310 -3.238 -0.833 679 HA LEU 85 HA LEU 85 -8.281 -0.594 0.309 680 1HB LEU 85 2HB LEU 85 -9.606 -0.196 -1.700 681 2HB LEU 85 1HB LEU 85 -10.679 -1.517 -1.274 682 HG LEU 85 HG LEU 85 -11.375 -0.265 0.749 683 1HD1 LEU 85 1HD1 LEU 85 -10.483 1.692 1.396 684 2HD1 LEU 85 2HD1 LEU 85 -10.284 2.269 -0.257 685 3HD1 LEU 85 3HD1 LEU 85 -9.100 1.163 0.440 686 1HD2 LEU 85 1HD2 LEU 85 -12.269 0.000 -1.776 687 2HD2 LEU 85 2HD2 LEU 85 -11.852 1.676 -1.417 688 3HD2 LEU 85 3HD2 LEU 85 -12.996 0.812 -0.390 689 H PHE 86 H PHE 86 -9.214 -0.503 2.312 690 HA PHE 86 HA PHE 86 -11.159 -2.175 3.366 691 1HB PHE 86 2HB PHE 86 -9.724 -3.668 4.810 692 2HB PHE 86 1HB PHE 86 -9.725 -4.057 3.094 693 HD1 PHE 86 1HD PHE 86 -7.775 -2.000 5.527 694 HD2 PHE 86 2HD PHE 86 -7.736 -4.515 2.095 695 HE1 PHE 86 1HE PHE 86 -5.319 -1.886 5.474 696 HE2 PHE 86 2HE PHE 86 -5.283 -4.411 2.041 697 HZ PHE 86 HZ PHE 86 -4.070 -3.096 3.726 698 H LYS 87 H LYS 87 -11.762 -1.517 5.393 699 HA LYS 87 HA LYS 87 -10.221 0.699 6.490 700 1HB LYS 87 2HB LYS 87 -12.209 1.267 7.772 701 2HB LYS 87 1HB LYS 87 -12.594 1.107 6.068 702 1HG LYS 87 2HG LYS 87 -13.581 -1.047 6.436 703 2HG LYS 87 1HG LYS 87 -13.073 -1.033 8.126 704 1HD LYS 87 2HD LYS 87 -14.503 0.907 8.540 705 2HD LYS 87 1HD LYS 87 -15.000 0.908 6.848 706 1HE LYS 87 2HE LYS 87 -15.978 -1.312 7.131 707 2HE LYS 87 1HE LYS 87 -15.467 -1.327 8.818 708 1HZ LYS 87 1HZ LYS 87 -17.875 -0.546 8.035 709 2HZ LYS 87 2HZ LYS 87 -17.078 0.945 7.984 710 3HZ LYS 87 3HZ LYS 87 -17.119 0.059 9.423 711 H SER 88 H SER 88 -10.334 0.930 8.937 712 HA SER 88 HA SER 88 -10.170 -1.596 10.377 713 1HB SER 88 2HB SER 88 -7.895 -1.275 9.492 714 2HB SER 88 1HB SER 88 -7.842 0.336 10.212 715 HG SER 88 HG SER 88 -6.826 -1.342 11.483 716 H GLY 89 H GLY 89 -10.660 -1.402 12.502 717 1HA GLY 89 2HA GLY 89 -12.036 0.873 13.400 718 2HA GLY 89 1HA GLY 89 -11.498 -0.456 14.418 719 1H MET 1 1HT MET 1 29.339 3.649 10.493 720 2H MET 1 2HT MET 1 30.162 2.387 9.670 721 3H MET 1 3HT MET 1 31.036 3.474 10.672 722 HA MET 1 HA MET 1 30.584 1.234 11.600 723 1HB MET 1 2HB MET 1 30.102 2.199 13.818 724 2HB MET 1 1HB MET 1 31.289 3.148 12.935 725 1HG MET 1 2HG MET 1 29.550 4.752 12.323 726 2HG MET 1 1HG MET 1 28.366 3.802 13.216 727 1HE MET 1 1HE MET 1 28.784 4.118 16.630 728 2HE MET 1 2HE MET 1 30.416 3.485 16.421 729 3HE MET 1 3HE MET 1 29.094 2.857 15.436 730 H CYS 2 H CYS 2 29.115 -0.290 12.076 731 HA CYS 2 HA CYS 2 27.131 -1.387 12.246 732 1HB CYS 2 2HB CYS 2 26.062 1.355 12.950 733 2HB CYS 2 1HB CYS 2 25.202 -0.163 13.183 734 HG CYS 2 HG CYS 2 26.483 0.761 15.379 735 H ASP 3 H ASP 3 25.744 -2.131 10.751 736 HA ASP 3 HA ASP 3 25.597 -0.925 8.210 737 1HB ASP 3 2HB ASP 3 23.864 -3.101 9.399 738 2HB ASP 3 1HB ASP 3 23.953 -2.694 7.689 739 H ARG 4 H ARG 4 24.211 0.486 7.337 740 HA ARG 4 HA ARG 4 21.520 0.826 8.042 741 1HB ARG 4 2HB ARG 4 22.628 1.723 10.134 742 2HB ARG 4 1HB ARG 4 23.298 3.010 9.146 743 1HG ARG 4 2HG ARG 4 20.347 2.495 9.392 744 2HG ARG 4 1HG ARG 4 21.235 3.583 10.456 745 1HD ARG 4 2HD ARG 4 20.872 3.829 7.474 746 2HD ARG 4 1HD ARG 4 20.214 4.878 8.720 747 HE ARG 4 HE ARG 4 22.776 5.069 7.543 748 1HH1 ARG 4 1HH1 ARG 4 21.113 5.476 10.586 749 2HH1 ARG 4 2HH1 ARG 4 22.279 6.590 11.215 750 1HH2 ARG 4 1HH2 ARG 4 24.306 6.538 8.368 751 2HH2 ARG 4 2HH2 ARG 4 24.088 7.196 9.956 752 H LYS 5 H LYS 5 20.572 1.767 6.343 753 HA LYS 5 HA LYS 5 21.927 3.857 4.849 754 1HB LYS 5 2HB LYS 5 21.107 1.242 3.562 755 2HB LYS 5 1HB LYS 5 21.636 2.670 2.686 756 1HG LYS 5 2HG LYS 5 23.320 1.177 4.681 757 2HG LYS 5 1HG LYS 5 23.390 0.955 2.933 758 1HD LYS 5 2HD LYS 5 24.033 3.287 2.647 759 2HD LYS 5 1HD LYS 5 23.917 3.547 4.387 760 1HE LYS 5 2HE LYS 5 25.701 1.908 4.747 761 2HE LYS 5 1HE LYS 5 25.816 1.652 3.006 762 1HZ LYS 5 1HZ LYS 5 26.127 4.277 3.108 763 2HZ LYS 5 2HZ LYS 5 27.426 3.199 3.219 764 3HZ LYS 5 3HZ LYS 5 26.769 3.877 4.622 765 H ALA 6 H ALA 6 19.900 3.062 2.588 766 HA ALA 6 HA ALA 6 17.804 3.664 1.951 767 1HB ALA 6 1HB ALA 6 16.753 3.693 4.723 768 2HB ALA 6 2HB ALA 6 17.380 2.164 4.111 769 3HB ALA 6 3HB ALA 6 16.072 2.983 3.260 770 H VAL 7 H VAL 7 17.211 5.653 1.338 771 HA VAL 7 HA VAL 7 17.918 7.898 3.046 772 HB VAL 7 HB VAL 7 17.394 9.276 1.102 773 1HG1 VAL 7 1HG1 VAL 7 19.408 8.910 0.074 774 2HG1 VAL 7 2HG1 VAL 7 19.186 7.161 0.032 775 3HG1 VAL 7 3HG1 VAL 7 19.630 7.958 1.540 776 1HG2 VAL 7 1HG2 VAL 7 16.135 6.867 0.181 777 2HG2 VAL 7 2HG2 VAL 7 17.314 7.434 -1.002 778 3HG2 VAL 7 3HG2 VAL 7 16.021 8.503 -0.465 779 H ILE 8 H ILE 8 16.509 9.244 3.968 780 HA ILE 8 HA ILE 8 13.762 8.420 4.168 781 HB ILE 8 HB ILE 8 15.283 10.712 5.399 782 1HG1 ILE 8 2HG1 ILE 8 14.878 9.455 7.482 783 2HG1 ILE 8 1HG1 ILE 8 14.038 8.213 6.561 784 1HG2 ILE 8 1HG2 ILE 8 12.386 10.003 5.834 785 2HG2 ILE 8 2HG2 ILE 8 12.988 11.453 5.029 786 3HG2 ILE 8 3HG2 ILE 8 13.307 11.199 6.745 787 1HD1 ILE 8 1HD1 ILE 8 16.421 7.724 7.217 788 2HD1 ILE 8 2HD1 ILE 8 16.899 8.949 6.041 789 3HD1 ILE 8 3HD1 ILE 8 16.021 7.514 5.511 790 H LYS 9 H LYS 9 12.019 9.256 3.213 791 HA LYS 9 HA LYS 9 12.404 11.588 1.454 792 1HB LYS 9 2HB LYS 9 10.605 9.200 1.017 793 2HB LYS 9 1HB LYS 9 10.701 10.598 -0.039 794 1HG LYS 9 2HG LYS 9 12.916 8.641 0.532 795 2HG LYS 9 1HG LYS 9 11.964 8.744 -0.949 796 1HD LYS 9 2HD LYS 9 13.692 10.982 0.100 797 2HD LYS 9 1HD LYS 9 14.234 9.793 -1.081 798 1HE LYS 9 2HE LYS 9 13.558 11.718 -2.295 799 2HE LYS 9 1HE LYS 9 12.312 10.496 -2.531 800 1HZ LYS 9 1HZ LYS 9 11.809 12.212 -0.283 801 2HZ LYS 9 2HZ LYS 9 10.789 11.778 -1.560 802 3HZ LYS 9 3HZ LYS 9 11.885 13.052 -1.750 803 H ASN 10 H ASN 10 10.350 9.983 3.786 804 HA ASN 10 HA ASN 10 8.908 12.474 4.187 805 1HB ASN 10 2HB ASN 10 7.463 9.902 3.513 806 2HB ASN 10 1HB ASN 10 6.694 11.397 4.037 807 1HD2 ASN 10 1HD2 ASN 10 7.345 9.579 1.429 808 2HD2 ASN 10 2HD2 ASN 10 7.345 10.793 0.199 809 H ALA 11 H ALA 11 10.702 11.495 5.923 810 HA ALA 11 HA ALA 11 9.783 9.666 7.841 811 1HB ALA 11 1HB ALA 11 12.055 10.118 7.964 812 2HB ALA 11 2HB ALA 11 11.412 10.975 9.365 813 3HB ALA 11 3HB ALA 11 11.814 11.864 7.896 814 H ASP 12 H ASP 12 8.699 9.908 9.783 815 HA ASP 12 HA ASP 12 7.914 12.404 10.863 816 1HB ASP 12 2HB ASP 12 6.442 12.453 8.904 817 2HB ASP 12 1HB ASP 12 5.780 10.884 9.349 818 H MET 13 H MET 13 9.110 10.423 12.129 819 HA MET 13 HA MET 13 7.313 9.763 14.221 820 1HB MET 13 2HB MET 13 6.635 8.040 12.582 821 2HB MET 13 1HB MET 13 8.287 7.448 12.536 822 1HG MET 13 2HG MET 13 8.169 6.764 14.829 823 2HG MET 13 1HG MET 13 6.583 7.513 15.013 824 1HE MET 13 1HE MET 13 7.461 4.875 11.742 825 2HE MET 13 2HE MET 13 7.820 3.690 13.001 826 3HE MET 13 3HE MET 13 8.670 5.237 12.976 827 H SER 14 H SER 14 8.395 8.502 15.951 828 HA SER 14 HA SER 14 10.731 9.538 16.806 829 1HB SER 14 2HB SER 14 9.824 6.686 17.258 830 2HB SER 14 1HB SER 14 11.019 7.540 18.235 831 HG SER 14 HG SER 14 9.252 9.137 18.545 832 H GLU 15 H GLU 15 12.883 9.268 16.558 833 HA GLU 15 HA GLU 15 13.945 8.344 14.178 834 1HB GLU 15 2HB GLU 15 15.353 8.629 16.833 835 2HB GLU 15 1HB GLU 15 16.143 8.519 15.267 836 1HG GLU 15 2HG GLU 15 14.271 10.713 16.125 837 2HG GLU 15 1HG GLU 15 16.029 10.817 16.097 838 H GLU 16 H GLU 16 13.771 6.676 17.288 839 HA GLU 16 HA GLU 16 15.240 4.411 16.517 840 1HB GLU 16 2HB GLU 16 14.194 3.298 18.445 841 2HB GLU 16 1HB GLU 16 14.776 4.904 18.858 842 1HG GLU 16 2HG GLU 16 12.505 5.779 18.671 843 2HG GLU 16 1HG GLU 16 11.920 4.167 18.256 844 H MET 17 H MET 17 11.785 5.132 16.301 845 HA MET 17 HA MET 17 10.996 2.567 15.444 846 1HB MET 17 2HB MET 17 9.688 5.244 14.947 847 2HB MET 17 1HB MET 17 8.928 3.681 14.673 848 1HG MET 17 2HG MET 17 9.096 3.165 17.041 849 2HG MET 17 1HG MET 17 9.897 4.708 17.330 850 1HE MET 17 1HE MET 17 6.269 4.596 18.896 851 2HE MET 17 2HE MET 17 7.644 5.653 19.219 852 3HE MET 17 3HE MET 17 7.890 3.916 19.040 853 H GLN 18 H GLN 18 11.676 5.528 13.596 854 HA GLN 18 HA GLN 18 11.322 4.307 11.062 855 1HB GLN 18 2HB GLN 18 12.486 6.303 10.175 856 2HB GLN 18 1HB GLN 18 11.187 6.711 11.287 857 1HG GLN 18 2HG GLN 18 12.867 7.001 13.077 858 2HG GLN 18 1HG GLN 18 14.133 6.710 11.885 859 1HE2 GLN 18 1HE2 GLN 18 12.327 9.018 13.419 860 2HE2 GLN 18 2HE2 GLN 18 12.603 10.341 12.351 861 H GLN 19 H GLN 19 14.111 4.770 13.156 862 HA GLN 19 HA GLN 19 16.036 3.847 11.283 863 1HB GLN 19 2HB GLN 19 16.055 4.162 14.277 864 2HB GLN 19 1HB GLN 19 17.436 3.512 13.403 865 1HG GLN 19 2HG GLN 19 17.619 5.568 12.127 866 2HG GLN 19 1HG GLN 19 16.198 6.217 12.936 867 1HE2 GLN 19 1HE2 GLN 19 17.790 4.478 15.232 868 2HE2 GLN 19 2HE2 GLN 19 18.764 5.729 15.915 869 H ASP 20 H ASP 20 14.103 2.293 13.782 870 HA ASP 20 HA ASP 20 15.356 -0.231 13.694 871 1HB ASP 20 2HB ASP 20 13.856 0.441 15.521 872 2HB ASP 20 1HB ASP 20 12.496 0.465 14.405 873 H SER 21 H SER 21 12.716 1.165 11.823 874 HA SER 21 HA SER 21 12.068 -1.244 10.460 875 1HB SER 21 2HB SER 21 10.481 0.630 10.572 876 2HB SER 21 1HB SER 21 11.589 1.635 9.639 877 HG SER 21 HG SER 21 10.193 -0.678 8.790 878 H VAL 22 H VAL 22 14.201 1.475 9.767 879 HA VAL 22 HA VAL 22 14.958 0.670 7.172 880 HB VAL 22 HB VAL 22 16.592 2.271 9.147 881 1HG1 VAL 22 1HG1 VAL 22 16.929 1.564 6.304 882 2HG1 VAL 22 2HG1 VAL 22 18.134 1.960 7.529 883 3HG1 VAL 22 3HG1 VAL 22 17.239 3.250 6.726 884 1HG2 VAL 22 1HG2 VAL 22 15.116 3.652 7.010 885 2HG2 VAL 22 2HG2 VAL 22 15.383 4.116 8.689 886 3HG2 VAL 22 3HG2 VAL 22 14.123 2.951 8.286 887 H GLU 23 H GLU 23 16.405 0.114 10.352 888 HA GLU 23 HA GLU 23 18.594 -1.410 9.393 889 1HB GLU 23 2HB GLU 23 17.302 -1.347 12.126 890 2HB GLU 23 1HB GLU 23 18.831 -2.134 11.762 891 1HG GLU 23 2HG GLU 23 18.290 0.806 11.427 892 2HG GLU 23 1HG GLU 23 19.092 0.077 12.815 893 H CYS 24 H CYS 24 15.453 -2.282 10.770 894 HA CYS 24 HA CYS 24 15.849 -5.083 10.567 895 1HB CYS 24 2HB CYS 24 13.335 -3.428 10.796 896 2HB CYS 24 1HB CYS 24 13.341 -5.188 10.821 897 HG CYS 24 HG CYS 24 13.642 -4.926 13.234 898 H ALA 25 H ALA 25 14.774 -2.658 8.304 899 HA ALA 25 HA ALA 25 13.580 -4.467 6.449 900 1HB ALA 25 1HB ALA 25 12.934 -2.144 6.421 901 2HB ALA 25 2HB ALA 25 13.694 -2.548 4.882 902 3HB ALA 25 3HB ALA 25 14.595 -1.647 6.101 903 H THR 26 H THR 26 16.748 -2.968 6.835 904 HA THR 26 HA THR 26 17.870 -3.879 4.441 905 HB THR 26 HB THR 26 19.228 -3.285 7.074 906 HG1 THR 26 1HG THR 26 17.973 -1.578 5.997 907 1HG2 THR 26 1HG2 THR 26 20.843 -2.637 4.836 908 2HG2 THR 26 2HG2 THR 26 20.354 -4.328 4.705 909 3HG2 THR 26 3HG2 THR 26 21.176 -3.756 6.157 910 H GLN 27 H GLN 27 17.849 -5.273 7.684 911 HA GLN 27 HA GLN 27 19.397 -7.544 7.114 912 1HB GLN 27 2HB GLN 27 17.186 -7.201 9.151 913 2HB GLN 27 1HB GLN 27 18.348 -8.520 9.134 914 1HG GLN 27 2HG GLN 27 20.165 -6.934 9.481 915 2HG GLN 27 1HG GLN 27 19.007 -5.604 9.482 916 1HE2 GLN 27 1HE2 GLN 27 20.804 -7.493 11.421 917 2HE2 GLN 27 2HE2 GLN 27 19.864 -7.429 12.870 918 H ALA 28 H ALA 28 15.939 -6.911 6.872 919 HA ALA 28 HA ALA 28 15.011 -9.471 6.315 920 1HB ALA 28 1HB ALA 28 13.938 -6.900 6.361 921 2HB ALA 28 2HB ALA 28 13.065 -8.415 6.135 922 3HB ALA 28 3HB ALA 28 13.622 -7.502 4.735 923 H LEU 29 H LEU 29 16.273 -7.007 4.100 924 HA LEU 29 HA LEU 29 15.812 -8.478 1.743 925 1HB LEU 29 2HB LEU 29 17.716 -6.253 2.410 926 2HB LEU 29 1HB LEU 29 17.657 -6.974 0.810 927 HG LEU 29 HG LEU 29 15.241 -5.784 2.143 928 1HD1 LEU 29 1HD1 LEU 29 15.620 -3.785 0.801 929 2HD1 LEU 29 2HD1 LEU 29 17.131 -4.463 0.197 930 3HD1 LEU 29 3HD1 LEU 29 16.968 -4.057 1.905 931 1HD2 LEU 29 1HD2 LEU 29 14.608 -5.596 -0.340 932 2HD2 LEU 29 2HD2 LEU 29 14.536 -7.184 0.425 933 3HD2 LEU 29 3HD2 LEU 29 15.904 -6.763 -0.608 934 H GLU 30 H GLU 30 18.576 -8.270 3.912 935 HA GLU 30 HA GLU 30 20.338 -9.840 2.372 936 1HB GLU 30 2HB GLU 30 20.286 -9.379 5.356 937 2HB GLU 30 1HB GLU 30 21.635 -10.064 4.460 938 1HG GLU 30 2HG GLU 30 21.863 -7.978 3.209 939 2HG GLU 30 1HG GLU 30 20.513 -7.292 4.112 940 H LYS 31 H LYS 31 17.942 -10.683 4.819 941 HA LYS 31 HA LYS 31 18.757 -13.468 4.741 942 1HB LYS 31 2HB LYS 31 17.094 -13.827 6.489 943 2HB LYS 31 1HB LYS 31 18.176 -12.505 6.901 944 1HG LYS 31 2HG LYS 31 16.444 -10.901 6.207 945 2HG LYS 31 1HG LYS 31 15.361 -12.250 5.859 946 1HD LYS 31 2HD LYS 31 15.447 -12.950 8.185 947 2HD LYS 31 1HD LYS 31 16.595 -11.663 8.548 948 1HE LYS 31 2HE LYS 31 14.947 -9.984 8.086 949 2HE LYS 31 1HE LYS 31 13.806 -11.196 7.507 950 1HZ LYS 31 1HZ LYS 31 13.287 -10.490 9.755 951 2HZ LYS 31 2HZ LYS 31 14.822 -10.959 10.288 952 3HZ LYS 31 3HZ LYS 31 13.725 -12.123 9.739 953 H TYR 32 H TYR 32 16.065 -11.478 3.635 954 HA TYR 32 HA TYR 32 14.917 -13.884 2.389 955 1HB TYR 32 2HB TYR 32 13.607 -11.287 3.189 956 2HB TYR 32 1HB TYR 32 12.809 -12.518 2.216 957 HD1 TYR 32 1HD TYR 32 13.206 -15.003 3.366 958 HD2 TYR 32 2HD TYR 32 12.941 -11.271 5.390 959 HE1 TYR 32 1HE TYR 32 12.491 -16.170 5.408 960 HE2 TYR 32 2HE TYR 32 12.226 -12.428 7.438 961 HH TYR 32 HH TYR 32 11.329 -15.743 7.462 962 H ASN 33 H ASN 33 15.618 -10.456 1.784 963 HA ASN 33 HA ASN 33 16.058 -9.319 -0.137 964 1HB ASN 33 2HB ASN 33 17.739 -11.114 -0.475 965 2HB ASN 33 1HB ASN 33 16.524 -12.073 -1.308 966 1HD2 ASN 33 1HD2 ASN 33 16.129 -8.787 -1.996 967 2HD2 ASN 33 2HD2 ASN 33 16.961 -8.758 -3.505 968 H ILE 34 H ILE 34 13.420 -9.714 0.442 969 HA ILE 34 HA ILE 34 12.239 -9.664 -2.218 970 HB ILE 34 HB ILE 34 11.140 -11.453 -0.043 971 1HG1 ILE 34 2HG1 ILE 34 12.388 -12.137 -2.715 972 2HG1 ILE 34 1HG1 ILE 34 13.120 -12.412 -1.138 973 1HG2 ILE 34 1HG2 ILE 34 9.204 -10.967 -1.078 974 2HG2 ILE 34 2HG2 ILE 34 9.786 -12.098 -2.299 975 3HG2 ILE 34 3HG2 ILE 34 10.009 -10.363 -2.526 976 1HD1 ILE 34 1HD1 ILE 34 11.109 -13.966 -2.578 977 2HD1 ILE 34 2HD1 ILE 34 10.748 -13.711 -0.871 978 3HD1 ILE 34 3HD1 ILE 34 12.270 -14.464 -1.348 979 H GLU 35 H GLU 35 10.987 -7.940 -2.354 980 HA GLU 35 HA GLU 35 10.545 -6.075 -0.419 981 1HB GLU 35 2HB GLU 35 8.686 -5.247 -1.846 982 2HB GLU 35 1HB GLU 35 10.160 -5.593 -2.741 983 1HG GLU 35 2HG GLU 35 9.139 -7.836 -3.298 984 2HG GLU 35 1HG GLU 35 7.628 -7.202 -2.651 985 H LYS 36 H LYS 36 8.363 -8.752 -1.254 986 HA LYS 36 HA LYS 36 6.263 -8.056 0.473 987 1HB LYS 36 2HB LYS 36 6.047 -9.727 -1.314 988 2HB LYS 36 1HB LYS 36 7.132 -10.798 -0.441 989 1HG LYS 36 2HG LYS 36 5.490 -10.832 1.430 990 2HG LYS 36 1HG LYS 36 4.386 -9.911 0.407 991 1HD LYS 36 2HD LYS 36 3.732 -12.156 0.166 992 2HD LYS 36 1HD LYS 36 4.645 -11.777 -1.293 993 1HE LYS 36 2HE LYS 36 5.860 -13.111 1.116 994 2HE LYS 36 1HE LYS 36 5.144 -14.007 -0.221 995 1HZ LYS 36 1HZ LYS 36 7.216 -13.931 -1.029 996 2HZ LYS 36 2HZ LYS 36 7.671 -12.607 -0.079 997 3HZ LYS 36 3HZ LYS 36 6.809 -12.363 -1.515 998 H ASP 37 H ASP 37 8.801 -10.507 0.966 999 HA ASP 37 HA ASP 37 8.195 -11.254 3.544 1000 1HB ASP 37 2HB ASP 37 10.936 -11.035 2.290 1001 2HB ASP 37 1HB ASP 37 10.555 -11.958 3.741 1002 H ILE 38 H ILE 38 10.271 -8.556 2.532 1003 HA ILE 38 HA ILE 38 11.363 -7.757 4.911 1004 HB ILE 38 HB ILE 38 10.218 -5.944 2.777 1005 1HG1 ILE 38 2HG1 ILE 38 13.069 -6.880 3.125 1006 2HG1 ILE 38 1HG1 ILE 38 11.925 -7.656 2.042 1007 1HG2 ILE 38 1HG2 ILE 38 10.670 -4.779 4.905 1008 2HG2 ILE 38 2HG2 ILE 38 11.728 -4.245 3.599 1009 3HG2 ILE 38 3HG2 ILE 38 12.340 -5.345 4.835 1010 1HD1 ILE 38 1HD1 ILE 38 13.431 -5.179 1.729 1011 2HD1 ILE 38 2HD1 ILE 38 11.732 -5.057 1.274 1012 3HD1 ILE 38 3HD1 ILE 38 12.763 -6.267 0.513 1013 H ALA 39 H ALA 39 8.280 -6.539 3.618 1014 HA ALA 39 HA ALA 39 7.535 -5.156 5.964 1015 1HB ALA 39 1HB ALA 39 5.794 -6.130 3.706 1016 2HB ALA 39 2HB ALA 39 6.663 -4.596 3.750 1017 3HB ALA 39 3HB ALA 39 5.362 -4.907 4.900 1018 H ALA 40 H ALA 40 7.223 -8.480 5.035 1019 HA ALA 40 HA ALA 40 4.994 -9.180 6.596 1020 1HB ALA 40 1HB ALA 40 5.393 -11.296 5.926 1021 2HB ALA 40 2HB ALA 40 7.118 -11.201 6.277 1022 3HB ALA 40 3HB ALA 40 6.479 -10.491 4.794 1023 H HIS 41 H HIS 41 8.423 -9.842 7.321 1024 HA HIS 41 HA HIS 41 7.879 -10.536 10.016 1025 1HB HIS 41 2HB HIS 41 10.116 -11.023 10.193 1026 2HB HIS 41 1HB HIS 41 9.938 -11.069 8.444 1027 HD1 HIS 41 1HD HIS 41 10.989 -8.601 11.130 1028 HD2 HIS 41 2HD HIS 41 11.694 -9.469 7.129 1029 HE1 HIS 41 1HE HIS 41 12.822 -7.039 10.421 1030 HE2 HIS 41 2HE HIS 41 13.353 -7.708 8.058 1031 H ILE 42 H ILE 42 9.195 -7.578 8.529 1032 HA ILE 42 HA ILE 42 9.750 -6.190 10.873 1033 HB ILE 42 HB ILE 42 8.870 -5.096 8.199 1034 1HG1 ILE 42 2HG1 ILE 42 11.600 -5.415 9.456 1035 2HG1 ILE 42 1HG1 ILE 42 10.945 -6.400 8.150 1036 1HG2 ILE 42 1HG2 ILE 42 9.435 -3.758 10.740 1037 2HG2 ILE 42 2HG2 ILE 42 8.605 -3.162 9.301 1038 3HG2 ILE 42 3HG2 ILE 42 10.366 -3.136 9.377 1039 1HD1 ILE 42 1HD1 ILE 42 12.370 -3.963 7.989 1040 2HD1 ILE 42 2HD1 ILE 42 10.741 -3.690 7.371 1041 3HD1 ILE 42 3HD1 ILE 42 11.745 -4.966 6.683 1042 H LYS 43 H LYS 43 6.707 -6.267 9.013 1043 HA LYS 43 HA LYS 43 5.361 -4.424 10.651 1044 1HB LYS 43 2HB LYS 43 4.340 -6.588 8.832 1045 2HB LYS 43 1HB LYS 43 3.269 -5.502 9.703 1046 1HG LYS 43 2HG LYS 43 5.382 -4.634 7.741 1047 2HG LYS 43 1HG LYS 43 3.667 -4.813 7.375 1048 1HD LYS 43 2HD LYS 43 3.751 -2.566 7.822 1049 2HD LYS 43 1HD LYS 43 3.403 -3.187 9.434 1050 1HE LYS 43 2HE LYS 43 6.247 -3.140 8.931 1051 2HE LYS 43 1HE LYS 43 5.533 -1.552 8.670 1052 1HZ LYS 43 1HZ LYS 43 5.279 -1.265 10.842 1053 2HZ LYS 43 2HZ LYS 43 6.237 -2.638 11.076 1054 3HZ LYS 43 3HZ LYS 43 4.552 -2.777 11.051 1055 H LYS 44 H LYS 44 5.321 -7.991 10.718 1056 HA LYS 44 HA LYS 44 3.523 -8.250 12.833 1057 1HB LYS 44 2HB LYS 44 5.838 -10.037 12.076 1058 2HB LYS 44 1HB LYS 44 4.571 -10.483 13.210 1059 1HG LYS 44 2HG LYS 44 2.906 -10.293 11.445 1060 2HG LYS 44 1HG LYS 44 4.161 -9.808 10.303 1061 1HD LYS 44 2HD LYS 44 5.277 -11.967 10.619 1062 2HD LYS 44 1HD LYS 44 4.017 -12.449 11.757 1063 1HE LYS 44 2HE LYS 44 2.343 -12.253 9.979 1064 2HE LYS 44 1HE LYS 44 3.604 -11.774 8.845 1065 1HZ LYS 44 1HZ LYS 44 4.338 -13.875 8.637 1066 2HZ LYS 44 2HZ LYS 44 2.776 -14.279 9.148 1067 3HZ LYS 44 3HZ LYS 44 4.052 -14.273 10.256 1068 H GLU 45 H GLU 45 7.062 -7.942 12.951 1069 HA GLU 45 HA GLU 45 7.354 -8.287 15.709 1070 1HB GLU 45 2HB GLU 45 8.995 -6.647 13.774 1071 2HB GLU 45 1HB GLU 45 9.476 -6.985 15.430 1072 1HG GLU 45 2HG GLU 45 9.507 -9.369 14.951 1073 2HG GLU 45 1HG GLU 45 8.986 -9.052 13.298 1074 H PHE 46 H PHE 46 6.864 -5.306 13.834 1075 HA PHE 46 HA PHE 46 6.939 -3.568 16.053 1076 1HB PHE 46 2HB PHE 46 5.822 -3.295 13.282 1077 2HB PHE 46 1HB PHE 46 5.682 -2.003 14.465 1078 HD1 PHE 46 1HD PHE 46 8.449 -4.321 13.472 1079 HD2 PHE 46 2HD PHE 46 7.147 -0.316 14.034 1080 HE1 PHE 46 1HE PHE 46 10.685 -3.510 12.842 1081 HE2 PHE 46 2HE PHE 46 9.378 0.506 13.412 1082 HZ PHE 46 HZ PHE 46 11.152 -1.091 12.811 1083 H ASP 47 H ASP 47 4.204 -5.098 14.374 1084 HA ASP 47 HA ASP 47 2.178 -3.856 15.863 1085 1HB ASP 47 2HB ASP 47 2.265 -6.525 14.455 1086 2HB ASP 47 1HB ASP 47 0.809 -5.895 15.220 1087 H LYS 48 H LYS 48 4.203 -6.622 16.538 1088 HA LYS 48 HA LYS 48 2.706 -7.442 18.860 1089 1HB LYS 48 2HB LYS 48 4.315 -8.791 17.226 1090 2HB LYS 48 1HB LYS 48 5.521 -8.307 18.411 1091 1HG LYS 48 2HG LYS 48 3.024 -9.903 18.925 1092 2HG LYS 48 1HG LYS 48 4.687 -10.490 18.954 1093 1HD LYS 48 2HD LYS 48 5.183 -9.098 20.868 1094 2HD LYS 48 1HD LYS 48 3.572 -8.382 20.797 1095 1HE LYS 48 2HE LYS 48 2.568 -10.539 21.263 1096 2HE LYS 48 1HE LYS 48 4.162 -11.293 21.291 1097 1HZ LYS 48 1HZ LYS 48 3.161 -9.229 23.179 1098 2HZ LYS 48 2HZ LYS 48 4.730 -9.859 23.183 1099 3HZ LYS 48 3HZ LYS 48 3.415 -10.866 23.525 1100 H LYS 49 H LYS 49 5.734 -5.731 18.232 1101 HA LYS 49 HA LYS 49 6.374 -5.420 21.007 1102 1HB LYS 49 2HB LYS 49 7.552 -4.122 18.556 1103 2HB LYS 49 1HB LYS 49 8.216 -3.994 20.179 1104 1HG LYS 49 2HG LYS 49 8.553 -6.426 20.215 1105 2HG LYS 49 1HG LYS 49 7.927 -6.519 18.568 1106 1HD LYS 49 2HD LYS 49 9.743 -5.078 17.791 1107 2HD LYS 49 1HD LYS 49 10.367 -4.972 19.439 1108 1HE LYS 49 2HE LYS 49 10.733 -7.392 19.450 1109 2HE LYS 49 1HE LYS 49 10.114 -7.494 17.802 1110 1HZ LYS 49 1HZ LYS 49 11.940 -6.020 17.111 1111 2HZ LYS 49 2HZ LYS 49 12.500 -7.473 17.768 1112 3HZ LYS 49 3HZ LYS 49 12.557 -6.054 18.686 1113 H TYR 50 H TYR 50 5.669 -3.021 18.489 1114 HA TYR 50 HA TYR 50 5.172 -1.003 20.488 1115 1HB TYR 50 2HB TYR 50 5.052 -0.908 17.474 1116 2HB TYR 50 1HB TYR 50 4.800 0.486 18.522 1117 HD1 TYR 50 1HD TYR 50 7.312 -2.267 18.161 1118 HD2 TYR 50 2HD TYR 50 6.614 1.884 18.760 1119 HE1 TYR 50 1HE TYR 50 9.732 -1.883 18.230 1120 HE2 TYR 50 2HE TYR 50 9.040 2.286 18.822 1121 HH TYR 50 HH TYR 50 11.148 0.729 19.443 1122 H ASN 51 H ASN 51 3.274 -3.253 18.761 1123 HA ASN 51 HA ASN 51 1.046 -3.754 19.195 1124 1HB ASN 51 2HB ASN 51 0.658 -0.872 20.028 1125 2HB ASN 51 1HB ASN 51 -0.503 -2.182 20.191 1126 1HD2 ASN 51 1HD2 ASN 51 1.601 -0.359 21.856 1127 2HD2 ASN 51 2HD2 ASN 51 1.985 -1.438 23.148 1128 HA PRO 52 HA PRO 52 -0.177 -2.725 15.116 1129 1HB PRO 52 2HB PRO 52 -2.976 -3.218 15.965 1130 2HB PRO 52 1HB PRO 52 -2.025 -4.014 14.707 1131 1HG PRO 52 2HG PRO 52 -2.581 -5.251 17.007 1132 2HG PRO 52 1HG PRO 52 -1.017 -5.466 16.200 1133 1HD PRO 52 2HD PRO 52 -1.713 -3.774 18.568 1134 2HD PRO 52 1HD PRO 52 -0.273 -4.769 18.277 1135 H THR 53 H THR 53 -2.261 0.171 14.614 1136 HA THR 53 HA THR 53 -1.360 -2.469 13.687 1137 HB THR 53 HB THR 53 -3.790 -2.160 13.560 1138 HG1 THR 53 1HG THR 53 -2.589 -2.076 10.995 1139 1HG2 THR 53 1HG2 THR 53 -3.994 -0.395 11.364 1140 2HG2 THR 53 2HG2 THR 53 -3.135 0.425 12.665 1141 3HG2 THR 53 3HG2 THR 53 -4.729 -0.266 12.962 1142 H TRP 54 H TRP 54 0.434 -2.355 12.556 1143 HA TRP 54 HA TRP 54 1.181 0.127 11.247 1144 1HB TRP 54 2HB TRP 54 2.731 -2.434 11.583 1145 2HB TRP 54 1HB TRP 54 3.367 -0.920 10.945 1146 HD1 TRP 54 HD TRP 54 1.540 -1.985 14.198 1147 HE1 TRP 54 1HE TRP 54 2.715 -0.830 16.171 1148 HE3 TRP 54 3HE TRP 54 5.039 0.672 11.603 1149 HZ2 TRP 54 2HZ TRP 54 4.834 0.999 16.570 1150 HZ3 TRP 54 3HZ TRP 54 6.595 2.118 12.850 1151 HH2 TRP 54 HH TRP 54 6.491 2.277 15.284 1152 H HIS 55 H HIS 55 1.701 0.343 9.110 1153 HA HIS 55 HA HIS 55 0.799 -1.822 7.323 1154 1HB HIS 55 2HB HIS 55 0.527 1.103 6.654 1155 2HB HIS 55 1HB HIS 55 -0.310 -0.272 5.935 1156 HD1 HIS 55 1HD HIS 55 -1.856 -1.589 7.930 1157 HD2 HIS 55 2HD HIS 55 -1.064 2.460 8.330 1158 HE1 HIS 55 1HE HIS 55 -3.634 -0.717 9.471 1159 HE2 HIS 55 2HE HIS 55 -3.214 1.765 9.599 1160 H CYS 56 H CYS 56 2.175 -2.280 5.624 1161 HA CYS 56 HA CYS 56 4.343 -0.393 5.085 1162 1HB CYS 56 2HB CYS 56 5.254 -1.884 6.775 1163 2HB CYS 56 1HB CYS 56 4.797 -3.287 5.820 1164 HG CYS 56 HG CYS 56 7.407 -2.143 5.638 1165 H ILE 57 H ILE 57 5.287 -0.534 3.095 1166 HA ILE 57 HA ILE 57 4.337 -2.555 1.207 1167 HB ILE 57 HB ILE 57 4.171 0.399 0.586 1168 1HG1 ILE 57 2HG1 ILE 57 2.449 -0.263 2.228 1169 2HG1 ILE 57 1HG1 ILE 57 1.742 0.151 0.670 1170 1HG2 ILE 57 1HG2 ILE 57 4.591 -0.820 -1.395 1171 2HG2 ILE 57 2HG2 ILE 57 2.859 -0.484 -1.385 1172 3HG2 ILE 57 3HG2 ILE 57 3.449 -2.086 -0.945 1173 1HD1 ILE 57 1HD1 ILE 57 1.079 -1.987 0.253 1174 2HD1 ILE 57 2HD1 ILE 57 0.981 -1.972 2.013 1175 3HD1 ILE 57 3HD1 ILE 57 2.375 -2.695 1.214 1176 H VAL 58 H VAL 58 5.789 -2.934 -0.490 1177 HA VAL 58 HA VAL 58 8.120 -1.220 -0.757 1178 HB VAL 58 HB VAL 58 8.419 -4.134 -0.012 1179 1HG1 VAL 58 1HG1 VAL 58 10.513 -2.032 -0.557 1180 2HG1 VAL 58 2HG1 VAL 58 10.120 -3.401 -1.597 1181 3HG1 VAL 58 3HG1 VAL 58 10.824 -3.677 -0.002 1182 1HG2 VAL 58 1HG2 VAL 58 8.830 -1.597 1.539 1183 2HG2 VAL 58 2HG2 VAL 58 9.653 -3.096 1.972 1184 3HG2 VAL 58 3HG2 VAL 58 7.890 -3.022 1.981 1185 H GLY 59 H GLY 59 8.832 -1.156 -2.808 1186 1HA GLY 59 2HA GLY 59 8.846 -3.331 -4.596 1187 2HA GLY 59 1HA GLY 59 7.394 -2.382 -4.881 1188 H ARG 60 H ARG 60 7.809 -1.413 -6.788 1189 HA ARG 60 HA ARG 60 9.818 0.667 -6.842 1190 1HB ARG 60 2HB ARG 60 9.982 -1.628 -8.801 1191 2HB ARG 60 1HB ARG 60 10.923 -0.146 -8.891 1192 1HG ARG 60 2HG ARG 60 12.013 -0.699 -6.786 1193 2HG ARG 60 1HG ARG 60 11.052 -2.174 -6.671 1194 1HD ARG 60 2HD ARG 60 12.950 -1.520 -8.911 1195 2HD ARG 60 1HD ARG 60 13.328 -2.567 -7.545 1196 HE ARG 60 HE ARG 60 10.987 -3.480 -8.815 1197 1HH1 ARG 60 1HH1 ARG 60 14.435 -3.294 -9.321 1198 2HH1 ARG 60 2HH1 ARG 60 14.485 -4.680 -10.355 1199 1HH2 ARG 60 1HH2 ARG 60 11.051 -5.306 -10.175 1200 2HH2 ARG 60 2HH2 ARG 60 12.562 -5.823 -10.841 1201 H ASN 61 H ASN 61 6.915 0.406 -7.085 1202 HA ASN 61 HA ASN 61 6.250 2.362 -8.831 1203 1HB ASN 61 2HB ASN 61 7.097 0.965 -10.679 1204 2HB ASN 61 1HB ASN 61 5.982 -0.315 -10.228 1205 1HD2 ASN 61 1HD2 ASN 61 4.616 2.768 -9.822 1206 2HD2 ASN 61 2HD2 ASN 61 3.719 2.820 -11.292 1207 H PHE 62 H PHE 62 4.894 2.557 -6.954 1208 HA PHE 62 HA PHE 62 2.332 1.246 -7.314 1209 1HB PHE 62 2HB PHE 62 2.217 0.350 -5.058 1210 2HB PHE 62 1HB PHE 62 3.592 -0.334 -5.918 1211 HD1 PHE 62 1HD PHE 62 5.833 1.100 -5.611 1212 HD2 PHE 62 2HD PHE 62 2.566 0.995 -2.887 1213 HE1 PHE 62 1HE PHE 62 7.330 1.823 -3.797 1214 HE2 PHE 62 2HE PHE 62 4.057 1.716 -1.067 1215 HZ PHE 62 HZ PHE 62 6.442 2.132 -1.522 1216 H GLY 63 H GLY 63 0.687 2.488 -6.779 1217 1HA GLY 63 2HA GLY 63 1.237 5.043 -5.425 1218 2HA GLY 63 1HA GLY 63 -0.186 4.677 -6.398 1219 H SER 64 H SER 64 0.026 5.700 -3.561 1220 HA SER 64 HA SER 64 -1.933 3.871 -2.491 1221 1HB SER 64 2HB SER 64 -0.710 3.374 -0.412 1222 2HB SER 64 1HB SER 64 0.109 2.725 -1.833 1223 HG SER 64 HG SER 64 0.839 4.845 -0.161 1224 H TYR 65 H TYR 65 -3.081 4.590 -0.747 1225 HA TYR 65 HA TYR 65 -2.567 7.272 0.301 1226 1HB TYR 65 2HB TYR 65 -4.172 7.393 -1.661 1227 2HB TYR 65 1HB TYR 65 -5.287 6.413 -0.717 1228 HD1 TYR 65 1HD TYR 65 -5.640 7.424 1.789 1229 HD2 TYR 65 2HD TYR 65 -4.561 9.646 -1.674 1230 HE1 TYR 65 1HE TYR 65 -6.536 9.467 2.824 1231 HE2 TYR 65 2HE TYR 65 -5.456 11.692 -0.649 1232 HH TYR 65 HH TYR 65 -5.964 12.581 1.549 1233 H VAL 66 H VAL 66 -2.948 7.346 2.468 1234 HA VAL 66 HA VAL 66 -4.753 5.462 3.757 1235 HB VAL 66 HB VAL 66 -1.818 5.498 4.467 1236 1HG1 VAL 66 1HG1 VAL 66 -2.448 3.452 5.774 1237 2HG1 VAL 66 2HG1 VAL 66 -4.126 3.878 5.476 1238 3HG1 VAL 66 3HG1 VAL 66 -3.093 4.970 6.390 1239 1HG2 VAL 66 1HG2 VAL 66 -1.803 3.165 3.567 1240 2HG2 VAL 66 2HG2 VAL 66 -2.004 4.419 2.344 1241 3HG2 VAL 66 3HG2 VAL 66 -3.397 3.481 2.883 1242 H THR 67 H THR 67 -4.830 5.842 6.173 1243 HA THR 67 HA THR 67 -4.155 8.647 6.819 1244 HB THR 67 HB THR 67 -6.533 7.026 7.776 1245 HG1 THR 67 1HG THR 67 -7.725 8.430 6.516 1246 1HG2 THR 67 1HG2 THR 67 -7.302 8.897 8.954 1247 2HG2 THR 67 2HG2 THR 67 -6.083 9.952 8.239 1248 3HG2 THR 67 3HG2 THR 67 -5.608 8.721 9.410 1249 H HIS 68 H HIS 68 -3.452 9.083 8.959 1250 HA HIS 68 HA HIS 68 -3.099 6.946 10.851 1251 1HB HIS 68 2HB HIS 68 -0.610 7.022 10.769 1252 2HB HIS 68 1HB HIS 68 -1.335 6.364 9.302 1253 HD1 HIS 68 1HD HIS 68 0.210 9.566 10.596 1254 HD2 HIS 68 2HD HIS 68 -0.732 7.718 6.995 1255 HE1 HIS 68 1HE HIS 68 1.180 11.040 8.810 1256 HE2 HIS 68 2HE HIS 68 0.506 9.962 6.639 1257 H GLU 69 H GLU 69 -2.489 7.657 12.880 1258 HA GLU 69 HA GLU 69 -2.999 10.343 13.541 1259 1HB GLU 69 2HB GLU 69 -2.315 9.754 15.790 1260 2HB GLU 69 1HB GLU 69 -3.276 8.447 15.111 1261 1HG GLU 69 2HG GLU 69 -1.273 7.170 14.652 1262 2HG GLU 69 1HG GLU 69 -0.272 8.496 15.240 1263 H THR 70 H THR 70 -1.597 11.981 14.317 1264 HA THR 70 HA THR 70 0.715 12.411 12.832 1265 HB THR 70 HB THR 70 1.197 14.243 14.429 1266 HG1 THR 70 1HG THR 70 -0.109 14.516 16.208 1267 1HG2 THR 70 1HG2 THR 70 -0.314 15.503 13.426 1268 2HG2 THR 70 2HG2 THR 70 -1.627 14.723 14.308 1269 3HG2 THR 70 3HG2 THR 70 -1.050 14.030 12.792 1270 H LYS 71 H LYS 71 2.923 12.429 13.374 1271 HA LYS 71 HA LYS 71 4.861 11.627 14.260 1272 1HB LYS 71 2HB LYS 71 3.199 11.092 16.726 1273 2HB LYS 71 1HB LYS 71 4.950 11.053 16.644 1274 1HG LYS 71 2HG LYS 71 3.204 13.468 16.233 1275 2HG LYS 71 1HG LYS 71 4.183 13.109 17.655 1276 1HD LYS 71 2HD LYS 71 5.588 14.539 16.554 1277 2HD LYS 71 1HD LYS 71 6.123 13.003 15.872 1278 1HE LYS 71 2HE LYS 71 4.674 13.382 13.923 1279 2HE LYS 71 1HE LYS 71 4.162 14.918 14.611 1280 1HZ LYS 71 1HZ LYS 71 6.651 14.214 13.293 1281 2HZ LYS 71 2HZ LYS 71 6.798 15.225 14.642 1282 3HZ LYS 71 3HZ LYS 71 5.827 15.691 13.338 1283 H HIS 72 H HIS 72 3.182 9.964 12.709 1284 HA HIS 72 HA HIS 72 4.338 7.417 13.382 1285 1HB HIS 72 2HB HIS 72 1.325 7.704 13.316 1286 2HB HIS 72 1HB HIS 72 2.195 6.174 13.352 1287 HD1 HIS 72 1HD HIS 72 1.711 9.264 15.502 1288 HD2 HIS 72 2HD HIS 72 2.786 5.267 15.852 1289 HE1 HIS 72 1HE HIS 72 1.880 8.828 17.973 1290 HE2 HIS 72 2HE HIS 72 2.444 6.380 18.161 1291 H PHE 73 H PHE 73 5.282 8.332 11.354 1292 HA PHE 73 HA PHE 73 4.226 6.933 9.116 1293 1HB PHE 73 2HB PHE 73 2.761 8.827 8.900 1294 2HB PHE 73 1HB PHE 73 4.101 9.951 9.103 1295 HD1 PHE 73 1HD PHE 73 3.497 6.974 6.933 1296 HD2 PHE 73 2HD PHE 73 4.546 11.091 7.170 1297 HE1 PHE 73 1HE PHE 73 3.810 7.030 4.495 1298 HE2 PHE 73 2HE PHE 73 4.861 11.156 4.731 1299 HZ PHE 73 HZ PHE 73 4.495 9.122 3.390 1300 H ILE 74 H ILE 74 5.844 6.399 7.735 1301 HA ILE 74 HA ILE 74 8.204 8.047 7.507 1302 HB ILE 74 HB ILE 74 8.744 6.902 9.552 1303 1HG1 ILE 74 2HG1 ILE 74 10.510 7.188 7.733 1304 2HG1 ILE 74 1HG1 ILE 74 10.864 6.012 8.992 1305 1HG2 ILE 74 1HG2 ILE 74 8.971 4.373 9.506 1306 2HG2 ILE 74 2HG2 ILE 74 7.983 4.421 8.048 1307 3HG2 ILE 74 3HG2 ILE 74 7.336 5.031 9.572 1308 1HD1 ILE 74 1HD1 ILE 74 9.552 4.614 6.936 1309 2HD1 ILE 74 2HD1 ILE 74 11.241 4.511 7.424 1310 3HD1 ILE 74 3HD1 ILE 74 10.754 5.652 6.170 1311 H TYR 75 H TYR 75 9.357 7.675 5.686 1312 HA TYR 75 HA TYR 75 8.884 5.297 4.070 1313 1HB TYR 75 2HB TYR 75 7.126 6.873 3.368 1314 2HB TYR 75 1HB TYR 75 8.344 8.106 3.069 1315 HD1 TYR 75 1HD TYR 75 10.261 7.311 1.364 1316 HD2 TYR 75 2HD TYR 75 6.329 5.696 1.563 1317 HE1 TYR 75 1HE TYR 75 10.469 6.535 -0.956 1318 HE2 TYR 75 2HE TYR 75 6.529 4.914 -0.758 1319 HH TYR 75 HH TYR 75 8.963 5.957 -2.844 1320 H PHE 76 H PHE 76 10.596 4.882 2.587 1321 HA PHE 76 HA PHE 76 12.637 6.804 2.083 1322 1HB PHE 76 2HB PHE 76 14.469 5.676 3.303 1323 2HB PHE 76 1HB PHE 76 13.252 6.346 4.383 1324 HD1 PHE 76 1HD PHE 76 13.957 3.123 2.605 1325 HD2 PHE 76 2HD PHE 76 12.648 5.060 6.157 1326 HE1 PHE 76 1HE PHE 76 13.721 0.938 3.703 1327 HE2 PHE 76 2HE PHE 76 12.409 2.876 7.265 1328 HZ PHE 76 HZ PHE 76 12.946 0.810 6.037 1329 H TYR 77 H TYR 77 14.103 6.168 0.538 1330 HA TYR 77 HA TYR 77 13.392 3.738 -0.916 1331 1HB TYR 77 2HB TYR 77 13.624 6.024 -2.026 1332 2HB TYR 77 1HB TYR 77 15.358 5.867 -1.769 1333 HD1 TYR 77 1HD TYR 77 12.548 3.821 -3.140 1334 HD2 TYR 77 2HD TYR 77 16.589 5.080 -3.556 1335 HE1 TYR 77 1HE TYR 77 12.722 2.545 -5.235 1336 HE2 TYR 77 2HE TYR 77 16.777 3.809 -5.652 1337 HH TYR 77 HH TYR 77 14.005 2.340 -7.170 1338 H LEU 78 H LEU 78 14.825 2.062 -1.300 1339 HA LEU 78 HA LEU 78 17.595 2.191 -0.663 1340 1HB LEU 78 2HB LEU 78 16.722 2.146 1.611 1341 2HB LEU 78 1HB LEU 78 15.807 0.697 1.250 1342 HG LEU 78 HG LEU 78 17.900 -0.544 0.906 1343 1HD1 LEU 78 1HD1 LEU 78 19.698 0.649 0.352 1344 2HD1 LEU 78 2HD1 LEU 78 19.858 0.998 2.074 1345 3HD1 LEU 78 3HD1 LEU 78 19.024 2.136 1.017 1346 1HD2 LEU 78 1HD2 LEU 78 18.002 -1.037 3.085 1347 2HD2 LEU 78 2HD2 LEU 78 16.766 0.205 3.287 1348 3HD2 LEU 78 3HD2 LEU 78 18.467 0.605 3.530 1349 H GLY 79 H GLY 79 18.741 0.408 -1.361 1350 1HA GLY 79 2HA GLY 79 19.155 -1.429 -2.671 1351 2HA GLY 79 1HA GLY 79 17.769 -2.146 -1.862 1352 H GLN 80 H GLN 80 17.796 0.683 -3.965 1353 HA GLN 80 HA GLN 80 16.644 1.162 -5.861 1354 1HB GLN 80 2HB GLN 80 17.378 -1.719 -6.378 1355 2HB GLN 80 1HB GLN 80 16.570 -0.719 -7.574 1356 1HG GLN 80 2HG GLN 80 18.938 -0.793 -8.006 1357 2HG GLN 80 1HG GLN 80 18.456 0.837 -7.545 1358 1HE2 GLN 80 1HE2 GLN 80 20.657 -1.595 -7.053 1359 2HE2 GLN 80 2HE2 GLN 80 21.347 -1.046 -5.566 1360 H VAL 81 H VAL 81 15.081 0.493 -3.604 1361 HA VAL 81 HA VAL 81 12.598 -0.142 -4.930 1362 HB VAL 81 HB VAL 81 11.942 -1.939 -3.381 1363 1HG1 VAL 81 1HG1 VAL 81 13.025 -2.364 -5.627 1364 2HG1 VAL 81 2HG1 VAL 81 13.066 -3.699 -4.478 1365 3HG1 VAL 81 3HG1 VAL 81 14.507 -2.717 -4.741 1366 1HG2 VAL 81 1HG2 VAL 81 13.542 -1.284 -1.565 1367 2HG2 VAL 81 2HG2 VAL 81 14.827 -2.030 -2.517 1368 3HG2 VAL 81 3HG2 VAL 81 13.490 -3.011 -1.917 1369 H ALA 82 H ALA 82 10.963 0.956 -4.060 1370 HA ALA 82 HA ALA 82 11.452 2.773 -1.907 1371 1HB ALA 82 1HB ALA 82 8.791 2.966 -2.297 1372 2HB ALA 82 2HB ALA 82 9.283 2.257 -3.834 1373 3HB ALA 82 3HB ALA 82 9.993 3.780 -3.299 1374 H ILE 83 H ILE 83 10.678 2.775 0.155 1375 HA ILE 83 HA ILE 83 9.141 0.430 1.039 1376 HB ILE 83 HB ILE 83 11.539 1.575 2.481 1377 1HG1 ILE 83 2HG1 ILE 83 11.137 -1.080 1.084 1378 2HG1 ILE 83 1HG1 ILE 83 12.175 0.231 0.537 1379 1HG2 ILE 83 1HG2 ILE 83 10.624 0.717 4.319 1380 2HG2 ILE 83 2HG2 ILE 83 10.827 -0.880 3.599 1381 3HG2 ILE 83 3HG2 ILE 83 9.307 -0.009 3.395 1382 1HD1 ILE 83 1HD1 ILE 83 12.720 -0.736 3.253 1383 2HD1 ILE 83 2HD1 ILE 83 13.827 -0.325 1.943 1384 3HD1 ILE 83 3HD1 ILE 83 13.022 -1.894 1.957 1385 H LEU 84 H LEU 84 7.655 0.805 2.648 1386 HA LEU 84 HA LEU 84 7.529 3.466 3.851 1387 1HB LEU 84 2HB LEU 84 6.178 3.645 1.845 1388 2HB LEU 84 1HB LEU 84 5.290 2.197 2.277 1389 HG LEU 84 HG LEU 84 4.360 3.363 4.241 1390 1HD1 LEU 84 1HD1 LEU 84 5.056 5.357 4.959 1391 2HD1 LEU 84 2HD1 LEU 84 5.086 6.034 3.333 1392 3HD1 LEU 84 3HD1 LEU 84 6.459 5.099 3.924 1393 1HD2 LEU 84 1HD2 LEU 84 2.666 4.246 3.041 1394 2HD2 LEU 84 2HD2 LEU 84 3.536 3.518 1.690 1395 3HD2 LEU 84 3HD2 LEU 84 3.739 5.232 2.047 1396 H LEU 85 H LEU 85 6.464 3.557 5.821 1397 HA LEU 85 HA LEU 85 5.009 1.304 6.838 1398 1HB LEU 85 2HB LEU 85 7.193 0.416 7.201 1399 2HB LEU 85 1HB LEU 85 7.758 1.927 7.887 1400 HG LEU 85 HG LEU 85 5.556 0.381 9.219 1401 1HD1 LEU 85 1HD1 LEU 85 7.168 -0.800 10.547 1402 2HD1 LEU 85 2HD1 LEU 85 8.502 -0.005 9.711 1403 3HD1 LEU 85 3HD1 LEU 85 7.471 -1.144 8.845 1404 1HD2 LEU 85 1HD2 LEU 85 7.200 1.549 11.099 1405 2HD2 LEU 85 2HD2 LEU 85 5.669 2.199 10.512 1406 3HD2 LEU 85 3HD2 LEU 85 7.187 2.725 9.785 1407 H PHE 86 H PHE 86 3.725 1.808 8.558 1408 HA PHE 86 HA PHE 86 4.108 3.924 10.359 1409 1HB PHE 86 2HB PHE 86 2.511 5.576 9.526 1410 2HB PHE 86 1HB PHE 86 3.807 5.331 8.362 1411 HD1 PHE 86 1HD PHE 86 3.222 3.317 6.632 1412 HD2 PHE 86 2HD PHE 86 0.420 5.802 8.650 1413 HE1 PHE 86 1HE PHE 86 1.562 2.853 4.883 1414 HE2 PHE 86 2HE PHE 86 -1.248 5.343 6.902 1415 HZ PHE 86 HZ PHE 86 -0.676 3.865 5.016 1416 H LYS 87 H LYS 87 2.781 3.601 12.069 1417 HA LYS 87 HA LYS 87 0.747 1.561 11.865 1418 1HB LYS 87 2HB LYS 87 0.592 1.640 14.244 1419 2HB LYS 87 1HB LYS 87 2.296 1.729 13.827 1420 1HG LYS 87 2HG LYS 87 2.455 3.969 14.426 1421 2HG LYS 87 1HG LYS 87 0.711 4.217 14.336 1422 1HD LYS 87 2HD LYS 87 1.389 4.160 16.653 1423 2HD LYS 87 1HD LYS 87 0.436 2.723 16.286 1424 1HE LYS 87 2HE LYS 87 2.453 1.403 16.089 1425 2HE LYS 87 1HE LYS 87 3.447 2.830 16.364 1426 1HZ LYS 87 1HZ LYS 87 1.446 2.158 18.387 1427 2HZ LYS 87 2HZ LYS 87 2.985 2.835 18.573 1428 3HZ LYS 87 3HZ LYS 87 2.821 1.175 18.297 1429 H SER 88 H SER 88 -1.439 1.823 12.645 1430 HA SER 88 HA SER 88 -2.661 4.166 11.553 1431 1HB SER 88 2HB SER 88 -3.743 1.930 11.503 1432 2HB SER 88 1HB SER 88 -3.930 2.013 13.255 1433 HG SER 88 HG SER 88 -5.708 2.775 11.692 1434 H GLY 89 H GLY 89 -4.791 4.371 13.570 1435 1HA GLY 89 2HA GLY 89 -3.722 6.504 15.089 1436 2HA GLY 89 1HA GLY 89 -5.308 5.779 15.310 1437 1H MET 1 1HT MET 1 -6.810 -8.677 14.759 1438 2H MET 1 2HT MET 1 -7.446 -7.122 15.107 1439 3H MET 1 3HT MET 1 -5.748 -7.355 15.015 1440 HA MET 1 HA MET 1 -7.738 -7.380 12.862 1441 1HB MET 1 2HB MET 1 -5.156 -5.887 13.366 1442 2HB MET 1 1HB MET 1 -6.160 -5.706 11.936 1443 1HG MET 1 2HG MET 1 -7.990 -4.880 13.323 1444 2HG MET 1 1HG MET 1 -6.985 -5.066 14.758 1445 1HE MET 1 1HE MET 1 -7.545 -1.231 13.968 1446 2HE MET 1 2HE MET 1 -7.116 -2.139 15.418 1447 3HE MET 1 3HE MET 1 -8.438 -2.692 14.388 1448 H LYS 2 H LYS 2 -7.399 -8.615 11.117 1449 HA LYS 2 HA LYS 2 -5.191 -10.475 11.126 1450 1HB LYS 2 2HB LYS 2 -7.545 -10.109 9.274 1451 2HB LYS 2 1HB LYS 2 -6.301 -11.325 9.016 1452 1HG LYS 2 2HG LYS 2 -8.256 -12.287 10.082 1453 2HG LYS 2 1HG LYS 2 -6.858 -12.358 11.156 1454 1HD LYS 2 2HD LYS 2 -7.673 -10.457 12.405 1455 2HD LYS 2 1HD LYS 2 -9.011 -10.247 11.274 1456 1HE LYS 2 2HE LYS 2 -9.898 -12.429 11.920 1457 2HE LYS 2 1HE LYS 2 -8.550 -12.653 13.034 1458 1HZ LYS 2 1HZ LYS 2 -9.320 -10.893 14.386 1459 2HZ LYS 2 2HZ LYS 2 -10.669 -11.860 14.060 1460 3HZ LYS 2 3HZ LYS 2 -10.461 -10.396 13.239 1461 H ASP 3 H ASP 3 -3.372 -10.343 9.982 1462 HA ASP 3 HA ASP 3 -2.908 -7.970 8.412 1463 1HB ASP 3 2HB ASP 3 -0.572 -8.841 8.257 1464 2HB ASP 3 1HB ASP 3 -1.151 -8.639 9.906 1465 H THR 4 H THR 4 -3.141 -7.812 6.284 1466 HA THR 4 HA THR 4 -3.660 -10.198 4.721 1467 HB THR 4 HB THR 4 -5.062 -8.197 4.421 1468 HG1 THR 4 1HG THR 4 -3.470 -8.705 2.129 1469 1HG2 THR 4 1HG2 THR 4 -3.493 -6.428 4.831 1470 2HG2 THR 4 2HG2 THR 4 -4.172 -6.254 3.212 1471 3HG2 THR 4 3HG2 THR 4 -2.542 -6.897 3.422 1472 H GLY 5 H GLY 5 -2.263 -11.130 3.329 1473 1HA GLY 5 2HA GLY 5 0.312 -9.747 2.881 1474 2HA GLY 5 1HA GLY 5 0.181 -11.483 3.115 1475 H ILE 6 H ILE 6 0.827 -9.319 0.850 1476 HA ILE 6 HA ILE 6 0.192 -11.111 -1.302 1477 HB ILE 6 HB ILE 6 -1.081 -9.508 -2.657 1478 1HG1 ILE 6 2HG1 ILE 6 -1.271 -7.855 -0.132 1479 2HG1 ILE 6 1HG1 ILE 6 -0.250 -7.461 -1.512 1480 1HG2 ILE 6 1HG2 ILE 6 -2.222 -11.215 -1.245 1481 2HG2 ILE 6 2HG2 ILE 6 -3.208 -9.801 -1.614 1482 3HG2 ILE 6 3HG2 ILE 6 -2.464 -9.968 -0.023 1483 1HD1 ILE 6 1HD1 ILE 6 -2.356 -7.452 -2.899 1484 2HD1 ILE 6 2HD1 ILE 6 -2.181 -6.146 -1.726 1485 3HD1 ILE 6 3HD1 ILE 6 -3.244 -7.510 -1.376 1486 H GLN 7 H GLN 7 0.867 -10.111 -3.449 1487 HA GLN 7 HA GLN 7 2.765 -7.955 -3.345 1488 1HB GLN 7 2HB GLN 7 4.160 -9.771 -2.486 1489 2HB GLN 7 1HB GLN 7 3.735 -10.774 -3.867 1490 1HG GLN 7 2HG GLN 7 4.829 -9.157 -5.356 1491 2HG GLN 7 1HG GLN 7 5.291 -8.198 -3.954 1492 1HE2 GLN 7 1HE2 GLN 7 5.437 -11.388 -3.050 1493 2HE2 GLN 7 2HE2 GLN 7 7.108 -11.680 -3.354 1494 H VAL 8 H VAL 8 2.432 -6.886 -5.166 1495 HA VAL 8 HA VAL 8 1.218 -8.219 -7.438 1496 HB VAL 8 HB VAL 8 1.977 -5.309 -7.191 1497 1HG1 VAL 8 1HG1 VAL 8 1.575 -5.682 -9.436 1498 2HG1 VAL 8 2HG1 VAL 8 -0.018 -5.202 -8.848 1499 3HG1 VAL 8 3HG1 VAL 8 0.345 -6.907 -9.119 1500 1HG2 VAL 8 1HG2 VAL 8 -0.305 -6.838 -6.094 1501 2HG2 VAL 8 2HG2 VAL 8 -0.674 -5.284 -6.843 1502 3HG2 VAL 8 3HG2 VAL 8 0.468 -5.367 -5.501 1503 H ASP 9 H ASP 9 2.143 -8.568 -9.390 1504 HA ASP 9 HA ASP 9 4.560 -7.382 -10.269 1505 1HB ASP 9 1HB ASP 9 4.807 -10.284 -9.448 1506 2HB ASP 9 2HB ASP 9 5.426 -8.942 -8.491 1507 H ARG 10 H ARG 10 2.287 -7.439 -11.555 1508 HA ARG 10 HA ARG 10 1.277 -7.962 -13.519 1509 1HB ARG 10 2HB ARG 10 3.780 -7.855 -14.203 1510 2HB ARG 10 1HB ARG 10 3.681 -9.607 -14.278 1511 1HG ARG 10 2HG ARG 10 3.356 -8.705 -16.475 1512 2HG ARG 10 1HG ARG 10 1.833 -9.393 -15.912 1513 1HD ARG 10 2HD ARG 10 1.036 -7.171 -15.308 1514 2HD ARG 10 1HD ARG 10 2.567 -6.469 -15.830 1515 HE ARG 10 HE ARG 10 0.364 -7.119 -17.476 1516 1HH1 ARG 10 1HH1 ARG 10 3.855 -7.143 -17.440 1517 2HH1 ARG 10 2HH1 ARG 10 3.997 -7.066 -19.162 1518 1HH2 ARG 10 1HH2 ARG 10 0.551 -7.010 -19.741 1519 2HH2 ARG 10 2HH2 ARG 10 2.123 -6.986 -20.469 1520 H ASP 11 H ASP 11 2.202 -10.760 -14.778 1521 HA ASP 11 HA ASP 11 1.360 -12.864 -14.804 1522 1HB ASP 11 2HB ASP 11 1.271 -12.462 -11.806 1523 2HB ASP 11 1HB ASP 11 1.106 -14.010 -12.628 1524 H LEU 12 H LEU 12 -0.468 -10.811 -15.306 1525 HA LEU 12 HA LEU 12 -2.893 -11.329 -13.824 1526 1HB LEU 12 2HB LEU 12 -2.294 -9.633 -16.242 1527 2HB LEU 12 1HB LEU 12 -3.907 -9.809 -15.580 1528 HG LEU 12 HG LEU 12 -3.137 -8.831 -13.454 1529 1HD1 LEU 12 1HD1 LEU 12 -0.913 -9.226 -13.164 1530 2HD1 LEU 12 2HD1 LEU 12 -0.847 -7.571 -13.766 1531 3HD1 LEU 12 3HD1 LEU 12 -0.519 -8.919 -14.855 1532 1HD2 LEU 12 1HD2 LEU 12 -2.347 -7.012 -15.709 1533 2HD2 LEU 12 2HD2 LEU 12 -3.131 -6.602 -14.183 1534 3HD2 LEU 12 3HD2 LEU 12 -4.022 -7.482 -15.424 1535 H ASP 13 H ASP 13 -2.131 -13.731 -14.761 1536 HA ASP 13 HA ASP 13 -4.353 -14.633 -16.193 1537 1HB ASP 13 2HB ASP 13 -3.298 -13.489 -18.101 1538 2HB ASP 13 1HB ASP 13 -1.840 -14.453 -17.875 1539 H GLY 14 H GLY 14 -0.970 -15.163 -15.369 1540 1HA GLY 14 2HA GLY 14 -0.049 -16.981 -14.253 1541 2HA GLY 14 1HA GLY 14 -1.618 -17.775 -14.317 1542 H LYS 15 H LYS 15 1.279 -18.517 -15.043 1543 HA LYS 15 HA LYS 15 2.250 -19.992 -16.477 1544 1HB LYS 15 2HB LYS 15 -0.470 -20.142 -17.793 1545 2HB LYS 15 1HB LYS 15 0.874 -21.236 -18.081 1546 1HG LYS 15 2HG LYS 15 0.770 -21.991 -15.768 1547 2HG LYS 15 1HG LYS 15 -0.565 -20.880 -15.461 1548 1HD LYS 15 2HD LYS 15 -1.386 -23.146 -15.848 1549 2HD LYS 15 1HD LYS 15 -1.923 -22.053 -17.127 1550 1HE LYS 15 2HE LYS 15 -1.176 -24.189 -18.044 1551 2HE LYS 15 1HE LYS 15 -0.142 -22.867 -18.581 1552 1HZ LYS 15 1HZ LYS 15 0.948 -25.022 -17.773 1553 2HZ LYS 15 2HZ LYS 15 0.577 -24.476 -16.215 1554 3HZ LYS 15 3HZ LYS 15 1.581 -23.554 -17.217 1555 H SER 16 H SER 16 -0.043 -17.988 -18.359 1556 HA SER 16 HA SER 16 1.651 -17.736 -20.603 1557 1HB SER 16 2HB SER 16 -0.779 -17.333 -20.718 1558 2HB SER 16 1HB SER 16 -0.587 -15.909 -19.695 1559 HG SER 16 HG SER 16 -0.609 -15.214 -21.800 1560 H HIS 17 H HIS 17 3.189 -16.262 -21.129 1561 HA HIS 17 HA HIS 17 4.311 -14.706 -18.980 1562 1HB HIS 17 2HB HIS 17 6.105 -14.197 -20.592 1563 2HB HIS 17 1HB HIS 17 5.785 -15.925 -20.490 1564 HD1 HIS 17 1HD HIS 17 7.163 -15.429 -22.933 1565 HD2 HIS 17 2HD HIS 17 3.089 -14.656 -22.688 1566 HE1 HIS 17 1HE HIS 17 6.338 -15.413 -25.308 1567 HE2 HIS 17 2HE HIS 17 3.887 -14.856 -25.140 1568 H LYS 18 H LYS 18 1.819 -13.645 -19.476 1569 HA LYS 18 HA LYS 18 1.877 -11.508 -21.350 1570 1HB LYS 18 2HB LYS 18 0.122 -11.943 -18.930 1571 2HB LYS 18 1HB LYS 18 -0.140 -10.699 -20.146 1572 1HG LYS 18 2HG LYS 18 -0.385 -12.464 -21.852 1573 2HG LYS 18 1HG LYS 18 -0.217 -13.678 -20.581 1574 1HD LYS 18 2HD LYS 18 -2.198 -12.757 -19.461 1575 2HD LYS 18 1HD LYS 18 -2.371 -11.572 -20.755 1576 1HE LYS 18 2HE LYS 18 -2.671 -13.385 -22.370 1577 2HE LYS 18 1HE LYS 18 -2.500 -14.568 -21.075 1578 1HZ LYS 18 1HZ LYS 18 -4.754 -12.847 -21.731 1579 2HZ LYS 18 2HZ LYS 18 -4.452 -13.091 -20.085 1580 3HZ LYS 18 3HZ LYS 18 -4.738 -14.416 -21.097 1581 1H MET 1 1HT MET 1 -4.173 14.231 12.993 1582 2H MET 1 2HT MET 1 -2.816 13.234 13.325 1583 3H MET 1 3HT MET 1 -4.328 12.906 14.069 1584 HA MET 1 HA MET 1 -3.625 11.488 12.136 1585 1HB MET 1 2HB MET 1 -5.860 11.523 13.142 1586 2HB MET 1 1HB MET 1 -6.283 12.933 12.183 1587 1HG MET 1 2HG MET 1 -6.047 11.618 10.140 1588 2HG MET 1 1HG MET 1 -5.622 10.203 11.101 1589 1HE MET 1 1HE MET 1 -8.059 12.996 10.615 1590 2HE MET 1 2HE MET 1 -8.767 12.723 12.207 1591 3HE MET 1 3HE MET 1 -9.664 12.274 10.755 1592 H LYS 2 H LYS 2 -3.099 11.413 10.028 1593 HA LYS 2 HA LYS 2 -3.849 13.510 8.202 1594 1HB LYS 2 2HB LYS 2 -0.956 13.097 8.962 1595 2HB LYS 2 1HB LYS 2 -1.472 13.963 7.523 1596 1HG LYS 2 2HG LYS 2 -2.141 14.727 10.357 1597 2HG LYS 2 1HG LYS 2 -0.901 15.476 9.351 1598 1HD LYS 2 2HD LYS 2 -2.609 16.185 7.758 1599 2HD LYS 2 1HD LYS 2 -3.856 15.413 8.738 1600 1HE LYS 2 2HE LYS 2 -3.794 17.813 9.146 1601 2HE LYS 2 1HE LYS 2 -3.333 16.915 10.592 1602 1HZ LYS 2 1HZ LYS 2 -1.894 18.908 9.279 1603 2HZ LYS 2 2HZ LYS 2 -1.024 17.470 9.092 1604 3HZ LYS 2 3HZ LYS 2 -1.431 18.017 10.640 1605 H ASP 3 H ASP 3 -4.022 12.798 6.193 1606 HA ASP 3 HA ASP 3 -3.650 10.009 5.694 1607 1HB ASP 3 2HB ASP 3 -4.602 10.531 3.468 1608 2HB ASP 3 1HB ASP 3 -5.594 11.137 4.793 1609 H THR 4 H THR 4 -1.921 9.035 4.870 1610 HA THR 4 HA THR 4 0.303 10.584 3.886 1611 HB THR 4 HB THR 4 0.643 8.572 5.286 1612 HG1 THR 4 1HG THR 4 2.077 7.495 3.588 1613 1HG2 THR 4 1HG2 THR 4 0.162 6.719 3.060 1614 2HG2 THR 4 2HG2 THR 4 -1.277 7.348 3.863 1615 3HG2 THR 4 3HG2 THR 4 -0.047 6.497 4.797 1616 H GLY 5 H GLY 5 1.047 10.653 1.769 1617 1HA GLY 5 2HA GLY 5 -0.573 9.246 -0.245 1618 2HA GLY 5 1HA GLY 5 -0.354 10.984 -0.376 1619 H ILE 6 H ILE 6 0.554 8.376 -1.852 1620 HA ILE 6 HA ILE 6 3.090 9.511 -2.666 1621 HB ILE 6 HB ILE 6 4.378 7.458 -2.391 1622 1HG1 ILE 6 2HG1 ILE 6 2.026 6.418 -0.801 1623 2HG1 ILE 6 1HG1 ILE 6 2.421 5.906 -2.439 1624 1HG2 ILE 6 1HG2 ILE 6 4.832 7.665 -0.075 1625 2HG2 ILE 6 2HG2 ILE 6 3.190 8.204 0.270 1626 3HG2 ILE 6 3HG2 ILE 6 4.294 9.252 -0.621 1627 1HD1 ILE 6 1HD1 ILE 6 4.006 5.465 0.069 1628 2HD1 ILE 6 2HD1 ILE 6 4.662 5.200 -1.548 1629 3HD1 ILE 6 3HD1 ILE 6 3.277 4.259 -0.992 1630 H GLN 7 H GLN 7 4.059 8.184 -4.479 1631 HA GLN 7 HA GLN 7 2.323 6.454 -5.956 1632 1HB GLN 7 2HB GLN 7 2.114 7.957 -7.932 1633 2HB GLN 7 1HB GLN 7 1.210 8.504 -6.528 1634 1HG GLN 7 2HG GLN 7 2.988 10.104 -6.016 1635 2HG GLN 7 1HG GLN 7 3.880 9.563 -7.433 1636 1HE2 GLN 7 1HE2 GLN 7 0.695 9.418 -8.273 1637 2HE2 GLN 7 2HE2 GLN 7 0.519 10.981 -8.983 1638 H VAL 8 H VAL 8 4.454 5.413 -5.427 1639 HA VAL 8 HA VAL 8 6.810 6.231 -6.787 1640 HB VAL 8 HB VAL 8 6.115 3.481 -5.748 1641 1HG1 VAL 8 1HG1 VAL 8 8.541 4.673 -6.923 1642 2HG1 VAL 8 2HG1 VAL 8 8.000 2.995 -6.891 1643 3HG1 VAL 8 3HG1 VAL 8 8.781 3.696 -5.474 1644 1HG2 VAL 8 1HG2 VAL 8 7.235 4.114 -3.705 1645 2HG2 VAL 8 2HG2 VAL 8 5.925 5.248 -4.032 1646 3HG2 VAL 8 3HG2 VAL 8 7.593 5.711 -4.361 1647 H ASP 9 H ASP 9 7.632 5.651 -8.728 1648 HA ASP 9 HA ASP 9 6.700 3.494 -10.307 1649 1HB ASP 9 2HB ASP 9 4.729 4.890 -10.616 1650 2HB ASP 9 1HB ASP 9 5.736 6.256 -11.083 1651 H ARG 10 H ARG 10 8.604 2.924 -11.106 1652 HA ARG 10 HA ARG 10 9.963 4.397 -13.047 1653 1HB ARG 10 2HB ARG 10 12.034 4.991 -11.820 1654 2HB ARG 10 1HB ARG 10 10.634 5.908 -11.283 1655 1HG ARG 10 2HG ARG 10 10.408 4.312 -9.380 1656 2HG ARG 10 1HG ARG 10 11.935 3.585 -9.884 1657 1HD ARG 10 2HD ARG 10 11.531 6.469 -9.098 1658 2HD ARG 10 1HD ARG 10 12.250 5.220 -8.082 1659 HE ARG 10 HE ARG 10 13.550 6.708 -10.117 1660 1HH1 ARG 10 1HH1 ARG 10 13.450 3.553 -8.632 1661 2HH1 ARG 10 2HH1 ARG 10 15.078 3.159 -9.069 1662 1HH2 ARG 10 1HH2 ARG 10 15.690 6.191 -10.694 1663 2HH2 ARG 10 2HH2 ARG 10 16.350 4.657 -10.239 1664 H ASP 11 H ASP 11 11.197 3.035 -14.190 1665 HA ASP 11 HA ASP 11 11.515 0.333 -13.243 1666 1HB ASP 11 2HB ASP 11 12.337 1.607 -15.854 1667 2HB ASP 11 1HB ASP 11 12.393 -0.119 -15.503 1668 H LEU 12 H LEU 12 12.970 1.872 -11.581 1669 HA LEU 12 HA LEU 12 15.007 1.964 -10.598 1670 1HB LEU 12 2HB LEU 12 15.773 0.035 -12.765 1671 2HB LEU 12 1HB LEU 12 16.814 0.495 -11.430 1672 HG LEU 12 HG LEU 12 15.826 -1.580 -10.871 1673 1HD1 LEU 12 1HD1 LEU 12 14.126 0.332 -9.338 1674 2HD1 LEU 12 2HD1 LEU 12 15.880 0.338 -9.160 1675 3HD1 LEU 12 3HD1 LEU 12 14.962 -1.117 -8.777 1676 1HD2 LEU 12 1HD2 LEU 12 13.865 -1.141 -12.517 1677 2HD2 LEU 12 2HD2 LEU 12 13.056 -0.499 -11.086 1678 3HD2 LEU 12 3HD2 LEU 12 13.606 -2.173 -11.110 1679 H ASP 13 H ASP 13 14.855 2.438 -14.061 1680 HA ASP 13 HA ASP 13 15.852 3.931 -15.455 1681 1HB ASP 13 2HB ASP 13 16.348 5.428 -12.872 1682 2HB ASP 13 1HB ASP 13 16.508 6.109 -14.489 1683 H GLY 14 H GLY 14 17.425 1.783 -14.904 1684 1HA GLY 14 2HA GLY 14 19.967 2.260 -13.859 1685 2HA GLY 14 1HA GLY 14 19.594 1.056 -15.083 1686 H LYS 15 H LYS 15 18.794 2.681 -17.184 1687 HA LYS 15 HA LYS 15 21.272 3.412 -18.302 1688 1HB LYS 15 2HB LYS 15 18.483 4.172 -19.186 1689 2HB LYS 15 1HB LYS 15 19.937 4.332 -20.160 1690 1HG LYS 15 2HG LYS 15 20.243 1.915 -20.120 1691 2HG LYS 15 1HG LYS 15 18.797 1.745 -19.123 1692 1HD LYS 15 2HD LYS 15 18.303 1.271 -21.464 1693 2HD LYS 15 1HD LYS 15 17.445 2.713 -20.919 1694 1HE LYS 15 2HE LYS 15 19.146 4.123 -21.963 1695 2HE LYS 15 1HE LYS 15 20.019 2.685 -22.493 1696 1HZ LYS 15 1HZ LYS 15 18.282 3.956 -24.023 1697 2HZ LYS 15 2HZ LYS 15 17.219 2.876 -23.273 1698 3HZ LYS 15 3HZ LYS 15 18.547 2.288 -24.140 1699 H SER 16 H SER 16 18.601 5.384 -17.035 1700 HA SER 16 HA SER 16 20.244 7.384 -15.980 1701 1HB SER 16 2HB SER 16 19.828 9.229 -17.577 1702 2HB SER 16 1HB SER 16 20.780 7.933 -18.302 1703 HG SER 16 HG SER 16 18.646 7.148 -19.083 1704 H HIS 17 H HIS 17 19.091 8.628 -14.610 1705 HA HIS 17 HA HIS 17 16.406 8.022 -14.066 1706 1HB HIS 17 2HB HIS 17 17.955 8.912 -12.377 1707 2HB HIS 17 1HB HIS 17 18.004 10.452 -13.229 1708 HD1 HIS 17 1HD HIS 17 15.364 11.460 -13.538 1709 HD2 HIS 17 2HD HIS 17 16.241 9.000 -10.306 1710 HE1 HIS 17 1HE HIS 17 13.562 11.910 -11.843 1711 HE2 HIS 17 2HE HIS 17 14.168 10.479 -9.860 1712 H LYS 18 H LYS 18 14.509 8.890 -14.691 1713 HA LYS 18 HA LYS 18 14.325 10.353 -17.070 1714 1HB LYS 18 2HB LYS 18 12.260 10.023 -14.885 1715 2HB LYS 18 1HB LYS 18 11.929 10.604 -16.510 1716 1HG LYS 18 2HG LYS 18 12.656 8.454 -17.426 1717 2HG LYS 18 1HG LYS 18 12.970 7.872 -15.788 1718 1HD LYS 18 2HD LYS 18 10.608 8.170 -15.227 1719 2HD LYS 18 1HD LYS 18 10.292 8.768 -16.857 1720 1HE LYS 18 2HE LYS 18 9.649 6.426 -16.648 1721 2HE LYS 18 1HE LYS 18 10.984 6.616 -17.785 1722 1HZ LYS 18 1HZ LYS 18 10.882 4.976 -15.546 1723 2HZ LYS 18 2HZ LYS 18 12.010 6.185 -15.195 1724 3HZ LYS 18 3HZ LYS 18 12.197 5.232 -16.580 Start of MODEL 14 1 1H MET 1 1HT MET 1 -21.159 -7.274 -19.195 2 2H MET 1 2HT MET 1 -20.273 -6.041 -18.393 3 3H MET 1 3HT MET 1 -19.463 -7.166 -19.405 4 HA MET 1 HA MET 1 -20.572 -6.332 -21.308 5 1HB MET 1 2HB MET 1 -21.864 -4.447 -19.323 6 2HB MET 1 1HB MET 1 -22.018 -4.328 -21.070 7 1HG MET 1 2HG MET 1 -22.984 -6.599 -19.349 8 2HG MET 1 1HG MET 1 -23.979 -5.356 -20.103 9 1HE MET 1 1HE MET 1 -22.452 -5.185 -23.075 10 2HE MET 1 2HE MET 1 -24.150 -4.987 -22.643 11 3HE MET 1 3HE MET 1 -23.686 -6.155 -23.880 12 H CYS 2 H CYS 2 -18.052 -6.170 -20.325 13 HA CYS 2 HA CYS 2 -16.125 -4.999 -20.595 14 1HB CYS 2 2HB CYS 2 -17.116 -4.152 -22.675 15 2HB CYS 2 1HB CYS 2 -17.904 -2.858 -21.780 16 HG CYS 2 HG CYS 2 -15.831 -1.737 -22.650 17 H ASP 3 H ASP 3 -18.670 -2.678 -19.611 18 HA ASP 3 HA ASP 3 -17.014 -1.079 -18.025 19 1HB ASP 3 2HB ASP 3 -19.383 -0.583 -18.830 20 2HB ASP 3 1HB ASP 3 -19.944 -1.569 -17.485 21 H ARG 4 H ARG 4 -16.311 -1.200 -15.957 22 HA ARG 4 HA ARG 4 -15.783 -2.072 -13.926 23 1HB ARG 4 2HB ARG 4 -18.519 -3.307 -14.198 24 2HB ARG 4 1HB ARG 4 -17.532 -3.427 -12.748 25 1HG ARG 4 2HG ARG 4 -17.472 -0.858 -12.833 26 2HG ARG 4 1HG ARG 4 -18.836 -1.018 -13.939 27 1HD ARG 4 2HD ARG 4 -18.693 -2.168 -11.165 28 2HD ARG 4 1HD ARG 4 -19.553 -0.696 -11.614 29 HE ARG 4 HE ARG 4 -20.473 -2.797 -13.223 30 1HH1 ARG 4 1HH1 ARG 4 -20.553 -1.776 -9.886 31 2HH1 ARG 4 2HH1 ARG 4 -22.067 -2.544 -9.558 32 1HH2 ARG 4 1HH2 ARG 4 -22.467 -3.808 -12.791 33 2HH2 ARG 4 2HH2 ARG 4 -23.154 -3.699 -11.205 34 H LYS 5 H LYS 5 -14.864 -3.384 -16.269 35 HA LYS 5 HA LYS 5 -15.142 -6.172 -16.196 36 1HB LYS 5 2HB LYS 5 -13.254 -6.289 -17.645 37 2HB LYS 5 1HB LYS 5 -14.156 -4.849 -18.084 38 1HG LYS 5 2HG LYS 5 -11.664 -4.894 -16.393 39 2HG LYS 5 1HG LYS 5 -11.732 -4.491 -18.108 40 1HD LYS 5 2HD LYS 5 -13.271 -2.619 -17.545 41 2HD LYS 5 1HD LYS 5 -13.028 -2.989 -15.836 42 1HE LYS 5 2HE LYS 5 -11.583 -1.162 -16.545 43 2HE LYS 5 1HE LYS 5 -10.638 -2.575 -16.076 44 1HZ LYS 5 1HZ LYS 5 -10.031 -1.333 -18.224 45 2HZ LYS 5 2HZ LYS 5 -11.360 -2.131 -18.900 46 3HZ LYS 5 3HZ LYS 5 -10.075 -3.024 -18.257 47 H ALA 6 H ALA 6 -13.470 -4.059 -14.094 48 HA ALA 6 HA ALA 6 -11.264 -5.261 -13.164 49 1HB ALA 6 1HB ALA 6 -13.454 -4.284 -11.341 50 2HB ALA 6 2HB ALA 6 -12.321 -3.241 -12.198 51 3HB ALA 6 3HB ALA 6 -11.732 -4.370 -10.980 52 H VAL 7 H VAL 7 -10.651 -7.137 -12.253 53 HA VAL 7 HA VAL 7 -12.738 -9.077 -11.612 54 HB VAL 7 HB VAL 7 -10.904 -10.727 -11.692 55 1HG1 VAL 7 1HG1 VAL 7 -10.644 -10.691 -14.137 56 2HG1 VAL 7 2HG1 VAL 7 -11.252 -9.035 -14.159 57 3HG1 VAL 7 3HG1 VAL 7 -12.302 -10.355 -13.640 58 1HG2 VAL 7 1HG2 VAL 7 -9.192 -8.602 -12.922 59 2HG2 VAL 7 2HG2 VAL 7 -8.727 -10.206 -12.356 60 3HG2 VAL 7 3HG2 VAL 7 -9.134 -8.946 -11.193 61 H ILE 8 H ILE 8 -12.939 -10.010 -9.662 62 HA ILE 8 HA ILE 8 -11.371 -8.863 -7.464 63 HB ILE 8 HB ILE 8 -13.972 -10.405 -7.385 64 1HG1 ILE 8 2HG1 ILE 8 -14.909 -8.204 -6.650 65 2HG1 ILE 8 1HG1 ILE 8 -13.353 -7.467 -7.015 66 1HG2 ILE 8 1HG2 ILE 8 -13.086 -10.878 -5.322 67 2HG2 ILE 8 2HG2 ILE 8 -13.916 -9.358 -4.982 68 3HG2 ILE 8 3HG2 ILE 8 -12.172 -9.372 -5.246 69 1HD1 ILE 8 1HD1 ILE 8 -13.633 -7.692 -9.289 70 2HD1 ILE 8 2HD1 ILE 8 -15.272 -7.338 -8.740 71 3HD1 ILE 8 3HD1 ILE 8 -14.807 -8.997 -9.122 72 H LYS 9 H LYS 9 -10.369 -10.179 -5.900 73 HA LYS 9 HA LYS 9 -10.294 -13.054 -6.438 74 1HB LYS 9 2HB LYS 9 -7.852 -11.286 -6.268 75 2HB LYS 9 1HB LYS 9 -7.807 -13.043 -6.225 76 1HG LYS 9 2HG LYS 9 -8.852 -11.375 -8.505 77 2HG LYS 9 1HG LYS 9 -7.276 -12.168 -8.441 78 1HD LYS 9 2HD LYS 9 -9.956 -13.555 -8.343 79 2HD LYS 9 1HD LYS 9 -8.886 -13.475 -9.744 80 1HE LYS 9 2HE LYS 9 -7.159 -14.672 -8.479 81 2HE LYS 9 1HE LYS 9 -8.244 -14.762 -7.091 82 1HZ LYS 9 1HZ LYS 9 -9.822 -15.961 -8.623 83 2HZ LYS 9 2HZ LYS 9 -8.424 -16.812 -8.192 84 3HZ LYS 9 3HZ LYS 9 -8.539 -16.092 -9.721 85 H ASN 10 H ASN 10 -9.144 -10.453 -4.274 86 HA ASN 10 HA ASN 10 -9.247 -12.384 -2.058 87 1HB ASN 10 2HB ASN 10 -8.014 -9.627 -2.058 88 2HB ASN 10 1HB ASN 10 -7.877 -10.839 -0.795 89 1HD2 ASN 10 1HD2 ASN 10 -6.001 -11.813 -0.773 90 2HD2 ASN 10 2HD2 ASN 10 -5.021 -12.183 -2.146 91 H ALA 11 H ALA 11 -11.718 -11.695 -2.869 92 HA ALA 11 HA ALA 11 -12.818 -9.387 -1.709 93 1HB ALA 11 1HB ALA 11 -14.031 -12.027 -2.486 94 2HB ALA 11 2HB ALA 11 -14.110 -10.488 -3.345 95 3HB ALA 11 3HB ALA 11 -14.989 -10.698 -1.831 96 H ASP 12 H ASP 12 -13.312 -8.874 0.322 97 HA ASP 12 HA ASP 12 -13.894 -10.897 2.304 98 1HB ASP 12 2HB ASP 12 -11.491 -9.082 2.605 99 2HB ASP 12 1HB ASP 12 -12.178 -10.052 3.902 100 H MET 13 H MET 13 -15.767 -9.333 1.534 101 HA MET 13 HA MET 13 -16.536 -7.836 3.766 102 1HB MET 13 2HB MET 13 -14.848 -6.232 3.012 103 2HB MET 13 1HB MET 13 -15.606 -6.160 1.428 104 1HG MET 13 2HG MET 13 -17.567 -5.141 2.353 105 2HG MET 13 1HG MET 13 -16.956 -5.348 3.990 106 1HE MET 13 1HE MET 13 -15.590 -2.423 0.791 107 2HE MET 13 2HE MET 13 -16.231 -4.051 0.566 108 3HE MET 13 3HE MET 13 -14.520 -3.818 0.926 109 H SER 14 H SER 14 -18.621 -6.790 3.491 110 HA SER 14 HA SER 14 -20.559 -8.236 2.328 111 1HB SER 14 2HB SER 14 -20.547 -5.218 2.535 112 2HB SER 14 1HB SER 14 -21.986 -6.213 2.311 113 HG SER 14 HG SER 14 -21.349 -7.270 4.320 114 H GLU 15 H GLU 15 -21.592 -8.475 0.403 115 HA GLU 15 HA GLU 15 -20.225 -8.221 -1.972 116 1HB GLU 15 2HB GLU 15 -23.214 -8.303 -1.579 117 2HB GLU 15 1HB GLU 15 -22.381 -8.630 -3.093 118 1HG GLU 15 2HG GLU 15 -21.266 -10.546 -2.067 119 2HG GLU 15 1HG GLU 15 -22.105 -10.218 -0.551 120 H GLU 16 H GLU 16 -22.745 -6.063 -0.729 121 HA GLU 16 HA GLU 16 -22.781 -4.305 -2.908 122 1HB GLU 16 2HB GLU 16 -23.838 -2.701 -1.372 123 2HB GLU 16 1HB GLU 16 -24.538 -4.306 -1.219 124 1HG GLU 16 2HG GLU 16 -23.205 -4.702 0.787 125 2HG GLU 16 1HG GLU 16 -22.501 -3.092 0.634 126 H MET 17 H MET 17 -20.859 -4.271 0.060 127 HA MET 17 HA MET 17 -19.614 -1.797 -0.340 128 1HB MET 17 2HB MET 17 -18.627 -4.253 1.100 129 2HB MET 17 1HB MET 17 -17.860 -2.675 1.200 130 1HG MET 17 2HG MET 17 -19.882 -1.743 2.176 131 2HG MET 17 1HG MET 17 -20.675 -3.311 2.054 132 1HE MET 17 1HE MET 17 -20.557 -3.348 5.671 133 2HE MET 17 2HE MET 17 -21.252 -2.456 4.319 134 3HE MET 17 3HE MET 17 -20.024 -1.702 5.335 135 H GLN 18 H GLN 18 -18.518 -5.063 -1.204 136 HA GLN 18 HA GLN 18 -16.118 -4.239 -2.417 137 1HB GLN 18 2HB GLN 18 -16.221 -6.470 -3.582 138 2HB GLN 18 1HB GLN 18 -16.308 -6.526 -1.828 139 1HG GLN 18 2HG GLN 18 -18.769 -6.751 -2.017 140 2HG GLN 18 1HG GLN 18 -18.585 -6.831 -3.767 141 1HE2 GLN 18 1HE2 GLN 18 -18.635 -8.566 -0.900 142 2HE2 GLN 18 2HE2 GLN 18 -18.067 -10.078 -1.505 143 H GLN 19 H GLN 19 -19.363 -4.718 -3.720 144 HA GLN 19 HA GLN 19 -18.684 -4.313 -6.434 145 1HB GLN 19 2HB GLN 19 -20.815 -5.318 -5.756 146 2HB GLN 19 1HB GLN 19 -21.301 -3.807 -5.000 147 1HG GLN 19 2HG GLN 19 -22.384 -4.091 -7.148 148 2HG GLN 19 1HG GLN 19 -21.293 -2.706 -7.174 149 1HE2 GLN 19 1HE2 GLN 19 -22.330 -5.240 -8.925 150 2HE2 GLN 19 2HE2 GLN 19 -20.953 -5.498 -9.937 151 H ASP 20 H ASP 20 -19.634 -2.132 -3.839 152 HA ASP 20 HA ASP 20 -19.860 0.205 -5.401 153 1HB ASP 20 2HB ASP 20 -20.780 0.015 -3.117 154 2HB ASP 20 1HB ASP 20 -19.143 -0.046 -2.472 155 H SER 21 H SER 21 -17.127 -1.294 -3.764 156 HA SER 21 HA SER 21 -15.322 0.843 -4.161 157 1HB SER 21 2HB SER 21 -14.743 -2.121 -3.897 158 2HB SER 21 1HB SER 21 -13.553 -0.829 -3.738 159 HG SER 21 HG SER 21 -15.544 -1.647 -1.981 160 H VAL 22 H VAL 22 -16.015 -2.074 -6.042 161 HA VAL 22 HA VAL 22 -14.130 -1.670 -8.065 162 HB VAL 22 HB VAL 22 -16.831 -3.012 -8.268 163 1HG1 VAL 22 1HG1 VAL 22 -16.068 -2.606 -10.475 164 2HG1 VAL 22 2HG1 VAL 22 -15.714 -4.296 -10.119 165 3HG1 VAL 22 3HG1 VAL 22 -14.422 -3.095 -10.069 166 1HG2 VAL 22 1HG2 VAL 22 -15.918 -4.436 -6.802 167 2HG2 VAL 22 2HG2 VAL 22 -14.292 -3.799 -7.051 168 3HG2 VAL 22 3HG2 VAL 22 -14.953 -4.993 -8.168 169 H GLU 23 H GLU 23 -17.530 -0.667 -7.886 170 HA GLU 23 HA GLU 23 -17.527 0.625 -10.413 171 1HB GLU 23 2HB GLU 23 -19.642 1.625 -9.703 172 2HB GLU 23 1HB GLU 23 -19.607 -0.092 -9.328 173 1HG GLU 23 2HG GLU 23 -19.053 0.434 -7.009 174 2HG GLU 23 1HG GLU 23 -19.124 2.154 -7.388 175 H CYS 24 H CYS 24 -17.098 1.758 -7.095 176 HA CYS 24 HA CYS 24 -16.847 4.495 -7.703 177 1HB CYS 24 2HB CYS 24 -15.841 2.856 -5.381 178 2HB CYS 24 1HB CYS 24 -15.612 4.599 -5.480 179 HG CYS 24 HG CYS 24 -18.384 3.226 -5.175 180 H ALA 25 H ALA 25 -14.522 1.859 -7.762 181 HA ALA 25 HA ALA 25 -12.213 3.515 -7.972 182 1HB ALA 25 1HB ALA 25 -11.568 1.111 -9.190 183 2HB ALA 25 2HB ALA 25 -12.809 0.671 -8.018 184 3HB ALA 25 3HB ALA 25 -11.352 1.510 -7.486 185 H THR 26 H THR 26 -14.399 1.944 -10.233 186 HA THR 26 HA THR 26 -13.016 2.456 -12.594 187 HB THR 26 HB THR 26 -15.998 2.279 -12.154 188 HG1 THR 26 1HG THR 26 -15.539 0.280 -11.774 189 1HG2 THR 26 1HG2 THR 26 -16.134 1.541 -14.475 190 2HG2 THR 26 2HG2 THR 26 -14.416 1.879 -14.682 191 3HG2 THR 26 3HG2 THR 26 -15.539 3.196 -14.348 192 H GLN 27 H GLN 27 -15.497 4.348 -10.930 193 HA GLN 27 HA GLN 27 -15.699 6.443 -12.759 194 1HB GLN 27 2HB GLN 27 -17.271 6.125 -10.901 195 2HB GLN 27 1HB GLN 27 -15.999 6.508 -9.748 196 1HG GLN 27 2HG GLN 27 -15.847 8.761 -10.660 197 2HG GLN 27 1HG GLN 27 -17.118 8.377 -11.819 198 1HE2 GLN 27 1HE2 GLN 27 -16.532 9.897 -9.008 199 2HE2 GLN 27 2HE2 GLN 27 -18.094 9.801 -8.274 200 H ALA 28 H ALA 28 -13.639 6.091 -9.889 201 HA ALA 28 HA ALA 28 -12.307 8.509 -9.921 202 1HB ALA 28 1HB ALA 28 -11.382 5.750 -9.172 203 2HB ALA 28 2HB ALA 28 -11.888 7.068 -8.116 204 3HB ALA 28 3HB ALA 28 -10.357 7.171 -8.982 205 H LEU 29 H LEU 29 -11.658 5.606 -11.833 206 HA LEU 29 HA LEU 29 -9.274 6.457 -13.029 207 1HB LEU 29 2HB LEU 29 -11.408 4.544 -13.918 208 2HB LEU 29 1HB LEU 29 -9.982 4.857 -14.892 209 HG LEU 29 HG LEU 29 -9.826 3.918 -12.041 210 1HD1 LEU 29 1HD1 LEU 29 -9.477 2.140 -14.432 211 2HD1 LEU 29 2HD1 LEU 29 -11.053 2.352 -13.673 212 3HD1 LEU 29 3HD1 LEU 29 -9.709 1.693 -12.742 213 1HD2 LEU 29 1HD2 LEU 29 -7.796 4.911 -12.750 214 2HD2 LEU 29 2HD2 LEU 29 -7.868 4.104 -14.316 215 3HD2 LEU 29 3HD2 LEU 29 -7.565 3.165 -12.854 216 H GLU 30 H GLU 30 -12.608 6.644 -14.222 217 HA GLU 30 HA GLU 30 -12.030 8.049 -16.589 218 1HB GLU 30 2HB GLU 30 -14.570 8.048 -14.947 219 2HB GLU 30 1HB GLU 30 -14.431 8.621 -16.604 220 1HG GLU 30 2HG GLU 30 -13.813 6.372 -17.330 221 2HG GLU 30 1HG GLU 30 -13.953 5.799 -15.669 222 H LYS 31 H LYS 31 -12.297 9.086 -13.304 223 HA LYS 31 HA LYS 31 -12.725 11.855 -13.883 224 1HB LYS 31 2HB LYS 31 -12.307 10.213 -11.447 225 2HB LYS 31 1HB LYS 31 -11.910 11.922 -11.341 226 1HG LYS 31 2HG LYS 31 -14.204 11.372 -10.603 227 2HG LYS 31 1HG LYS 31 -14.143 12.548 -11.916 228 1HD LYS 31 2HD LYS 31 -14.585 10.680 -13.510 229 2HD LYS 31 1HD LYS 31 -14.803 9.615 -12.122 230 1HE LYS 31 2HE LYS 31 -16.949 10.411 -12.958 231 2HE LYS 31 1HE LYS 31 -16.640 10.999 -11.326 232 1HZ LYS 31 1HZ LYS 31 -17.453 12.561 -13.306 233 2HZ LYS 31 2HZ LYS 31 -15.781 12.728 -13.501 234 3HZ LYS 31 3HZ LYS 31 -16.503 13.125 -12.023 235 H TYR 32 H TYR 32 -9.927 9.809 -13.311 236 HA TYR 32 HA TYR 32 -8.249 12.073 -14.053 237 1HB TYR 32 2HB TYR 32 -7.713 10.403 -11.595 238 2HB TYR 32 1HB TYR 32 -6.680 11.685 -12.217 239 HD1 TYR 32 1HD TYR 32 -8.052 13.997 -12.594 240 HD2 TYR 32 2HD TYR 32 -9.032 10.945 -9.798 241 HE1 TYR 32 1HE TYR 32 -9.280 15.640 -11.238 242 HE2 TYR 32 2HE TYR 32 -10.261 12.575 -8.435 243 HH TYR 32 HH TYR 32 -10.042 15.951 -8.964 244 H ASN 33 H ASN 33 -8.426 8.598 -13.428 245 HA ASN 33 HA ASN 33 -7.490 6.833 -14.533 246 1HB ASN 33 2HB ASN 33 -6.329 8.926 -16.394 247 2HB ASN 33 1HB ASN 33 -6.257 7.188 -16.650 248 1HD2 ASN 33 1HD2 ASN 33 -7.856 9.917 -17.473 249 2HD2 ASN 33 2HD2 ASN 33 -9.362 9.238 -17.972 250 H ILE 34 H ILE 34 -6.354 7.644 -12.251 251 HA ILE 34 HA ILE 34 -3.532 7.033 -12.709 252 HB ILE 34 HB ILE 34 -4.442 9.305 -10.934 253 1HG1 ILE 34 2HG1 ILE 34 -4.525 9.880 -13.323 254 2HG1 ILE 34 1HG1 ILE 34 -3.235 10.752 -12.503 255 1HG2 ILE 34 1HG2 ILE 34 -1.827 9.639 -10.996 256 2HG2 ILE 34 2HG2 ILE 34 -1.845 7.900 -11.290 257 3HG2 ILE 34 3HG2 ILE 34 -2.586 8.554 -9.829 258 1HD1 ILE 34 1HD1 ILE 34 -3.043 9.227 -14.823 259 2HD1 ILE 34 2HD1 ILE 34 -2.252 8.273 -13.568 260 3HD1 ILE 34 3HD1 ILE 34 -1.723 9.925 -13.886 261 H GLU 35 H GLU 35 -2.819 5.524 -11.354 262 HA GLU 35 HA GLU 35 -4.409 4.065 -9.660 263 1HB GLU 35 2HB GLU 35 -2.310 3.170 -8.703 264 2HB GLU 35 1HB GLU 35 -2.282 3.237 -10.460 265 1HG GLU 35 2HG GLU 35 -1.015 5.371 -10.291 266 2HG GLU 35 1HG GLU 35 -0.930 5.123 -8.548 267 H LYS 36 H LYS 36 -2.353 6.821 -8.835 268 HA LYS 36 HA LYS 36 -2.663 6.697 -6.042 269 1HB LYS 36 2HB LYS 36 -0.940 8.049 -7.141 270 2HB LYS 36 1HB LYS 36 -2.180 9.090 -7.826 271 1HG LYS 36 2HG LYS 36 -2.853 9.659 -5.472 272 2HG LYS 36 1HG LYS 36 -1.403 8.804 -4.937 273 1HD LYS 36 2HD LYS 36 -0.936 11.169 -5.091 274 2HD LYS 36 1HD LYS 36 -0.040 10.304 -6.340 275 1HE LYS 36 2HE LYS 36 -1.707 10.939 -7.996 276 2HE LYS 36 1HE LYS 36 -2.649 11.761 -6.753 277 1HZ LYS 36 1HZ LYS 36 0.126 12.588 -7.007 278 2HZ LYS 36 2HZ LYS 36 -1.263 13.518 -6.745 279 3HZ LYS 36 3HZ LYS 36 -0.881 12.990 -8.306 280 H ASP 37 H ASP 37 -4.309 8.790 -8.402 281 HA ASP 37 HA ASP 37 -6.085 10.039 -6.698 282 1HB ASP 37 2HB ASP 37 -6.530 9.263 -9.586 283 2HB ASP 37 1HB ASP 37 -7.471 10.458 -8.697 284 H ILE 38 H ILE 38 -6.534 6.951 -8.416 285 HA ILE 38 HA ILE 38 -9.173 6.435 -7.904 286 HB ILE 38 HB ILE 38 -6.892 4.461 -7.792 287 1HG1 ILE 38 2HG1 ILE 38 -8.803 5.183 -10.024 288 2HG1 ILE 38 1HG1 ILE 38 -7.121 5.688 -9.922 289 1HG2 ILE 38 1HG2 ILE 38 -8.731 2.811 -8.402 290 2HG2 ILE 38 2HG2 ILE 38 -9.868 4.044 -7.859 291 3HG2 ILE 38 3HG2 ILE 38 -8.690 3.373 -6.731 292 1HD1 ILE 38 1HD1 ILE 38 -6.705 3.899 -11.176 293 2HD1 ILE 38 2HD1 ILE 38 -8.274 3.175 -10.822 294 3HD1 ILE 38 3HD1 ILE 38 -6.934 2.971 -9.693 295 H ALA 39 H ALA 39 -6.449 5.899 -5.715 296 HA ALA 39 HA ALA 39 -7.882 4.712 -3.618 297 1HB ALA 39 1HB ALA 39 -5.667 4.452 -3.239 298 2HB ALA 39 2HB ALA 39 -5.900 5.914 -2.283 299 3HB ALA 39 3HB ALA 39 -5.253 6.027 -3.919 300 H ALA 40 H ALA 40 -7.271 8.093 -4.418 301 HA ALA 40 HA ALA 40 -8.186 9.257 -2.042 302 1HB ALA 40 1HB ALA 40 -8.192 10.331 -4.857 303 2HB ALA 40 2HB ALA 40 -6.945 10.554 -3.629 304 3HB ALA 40 3HB ALA 40 -8.531 11.295 -3.418 305 H HIS 41 H HIS 41 -9.945 8.562 -5.058 306 HA HIS 41 HA HIS 41 -12.422 9.605 -4.282 307 1HB HIS 41 2HB HIS 41 -11.625 7.479 -6.246 308 2HB HIS 41 1HB HIS 41 -13.316 7.894 -5.990 309 HD1 HIS 41 1HD HIS 41 -13.761 10.626 -6.298 310 HD2 HIS 41 2HD HIS 41 -10.472 8.941 -8.190 311 HE1 HIS 41 1HE HIS 41 -13.161 12.220 -8.146 312 HE2 HIS 41 2HE HIS 41 -11.320 11.057 -9.409 313 H ILE 42 H ILE 42 -11.397 6.193 -4.293 314 HA ILE 42 HA ILE 42 -13.693 5.197 -3.039 315 HB ILE 42 HB ILE 42 -10.906 4.047 -3.129 316 1HG1 ILE 42 2HG1 ILE 42 -13.366 3.515 -4.805 317 2HG1 ILE 42 1HG1 ILE 42 -11.936 4.402 -5.326 318 1HG2 ILE 42 1HG2 ILE 42 -11.968 1.890 -2.620 319 2HG2 ILE 42 2HG2 ILE 42 -13.506 2.718 -2.376 320 3HG2 ILE 42 3HG2 ILE 42 -12.150 3.044 -1.299 321 1HD1 ILE 42 1HD1 ILE 42 -12.407 1.725 -5.691 322 2HD1 ILE 42 2HD1 ILE 42 -11.306 1.754 -4.315 323 3HD1 ILE 42 3HD1 ILE 42 -10.846 2.533 -5.828 324 H LYS 43 H LYS 43 -10.685 6.430 -1.660 325 HA LYS 43 HA LYS 43 -11.109 5.482 0.962 326 1HB LYS 43 2HB LYS 43 -8.947 6.349 0.014 327 2HB LYS 43 1HB LYS 43 -9.591 7.973 0.184 328 1HG LYS 43 2HG LYS 43 -9.274 6.055 2.479 329 2HG LYS 43 1HG LYS 43 -8.054 7.237 2.009 330 1HD LYS 43 2HD LYS 43 -9.782 9.021 2.330 331 2HD LYS 43 1HD LYS 43 -10.853 7.783 2.991 332 1HE LYS 43 2HE LYS 43 -9.219 7.294 4.737 333 2HE LYS 43 1HE LYS 43 -8.142 8.526 4.079 334 1HZ LYS 43 1HZ LYS 43 -9.162 9.804 5.602 335 2HZ LYS 43 2HZ LYS 43 -10.541 8.827 5.685 336 3HZ LYS 43 3HZ LYS 43 -10.369 9.940 4.424 337 H LYS 44 H LYS 44 -11.586 8.811 -0.291 338 HA LYS 44 HA LYS 44 -12.830 9.744 2.048 339 1HB LYS 44 2HB LYS 44 -13.463 11.694 0.769 340 2HB LYS 44 1HB LYS 44 -11.830 11.215 0.332 341 1HG LYS 44 2HG LYS 44 -12.694 10.149 -1.698 342 2HG LYS 44 1HG LYS 44 -14.326 10.654 -1.259 343 1HD LYS 44 2HD LYS 44 -13.611 13.000 -1.343 344 2HD LYS 44 1HD LYS 44 -11.991 12.483 -1.811 345 1HE LYS 44 2HE LYS 44 -12.897 11.471 -3.841 346 2HE LYS 44 1HE LYS 44 -14.521 11.966 -3.369 347 1HZ LYS 44 1HZ LYS 44 -14.061 13.749 -4.617 348 2HZ LYS 44 2HZ LYS 44 -12.386 13.519 -4.544 349 3HZ LYS 44 3HZ LYS 44 -13.189 14.291 -3.271 350 H GLU 45 H GLU 45 -14.260 8.584 -0.993 351 HA GLU 45 HA GLU 45 -16.923 9.083 -0.415 352 1HB GLU 45 2HB GLU 45 -16.149 8.362 -2.617 353 2HB GLU 45 1HB GLU 45 -15.750 6.775 -1.974 354 1HG GLU 45 2HG GLU 45 -17.836 6.718 -3.204 355 2HG GLU 45 1HG GLU 45 -18.103 6.365 -1.498 356 H PHE 46 H PHE 46 -14.997 6.207 0.369 357 HA PHE 46 HA PHE 46 -17.196 4.915 1.678 358 1HB PHE 46 2HB PHE 46 -14.267 4.256 1.457 359 2HB PHE 46 1HB PHE 46 -15.395 3.272 2.387 360 HD1 PHE 46 1HD PHE 46 -15.385 4.889 -0.989 361 HD2 PHE 46 2HD PHE 46 -16.075 1.379 1.311 362 HE1 PHE 46 1HE PHE 46 -16.029 3.681 -3.030 363 HE2 PHE 46 2HE PHE 46 -16.718 0.164 -0.726 364 HZ PHE 46 HZ PHE 46 -16.698 1.316 -2.899 365 H ASP 47 H ASP 47 -14.288 6.614 2.764 366 HA ASP 47 HA ASP 47 -14.578 6.097 5.505 367 1HB ASP 47 2HB ASP 47 -13.238 8.315 3.979 368 2HB ASP 47 1HB ASP 47 -13.277 8.319 5.739 369 H LYS 48 H LYS 48 -16.067 8.494 3.432 370 HA LYS 48 HA LYS 48 -17.225 9.962 5.615 371 1HB LYS 48 2HB LYS 48 -16.661 11.158 3.599 372 2HB LYS 48 1HB LYS 48 -17.628 10.065 2.627 373 1HG LYS 48 2HG LYS 48 -18.744 12.193 2.936 374 2HG LYS 48 1HG LYS 48 -19.651 10.878 3.680 375 1HD LYS 48 2HD LYS 48 -19.701 12.700 5.206 376 2HD LYS 48 1HD LYS 48 -18.578 11.510 5.865 377 1HE LYS 48 2HE LYS 48 -17.724 13.898 4.237 378 2HE LYS 48 1HE LYS 48 -17.812 13.897 5.996 379 1HZ LYS 48 1HZ LYS 48 -15.818 12.774 4.261 380 2HZ LYS 48 2HZ LYS 48 -16.338 11.693 5.453 381 3HZ LYS 48 3HZ LYS 48 -15.714 13.199 5.895 382 H LYS 49 H LYS 49 -18.308 7.612 3.230 383 HA LYS 49 HA LYS 49 -21.034 7.681 4.122 384 1HB LYS 49 2HB LYS 49 -20.538 7.256 1.794 385 2HB LYS 49 1HB LYS 49 -19.589 5.840 2.224 386 1HG LYS 49 2HG LYS 49 -21.766 5.211 1.366 387 2HG LYS 49 1HG LYS 49 -21.591 4.737 3.056 388 1HD LYS 49 2HD LYS 49 -22.866 6.711 3.739 389 2HD LYS 49 1HD LYS 49 -23.040 7.185 2.049 390 1HE LYS 49 2HE LYS 49 -24.263 5.116 1.596 391 2HE LYS 49 1HE LYS 49 -24.086 4.640 3.284 392 1HZ LYS 49 1HZ LYS 49 -26.251 5.776 2.504 393 2HZ LYS 49 2HZ LYS 49 -25.357 7.208 2.609 394 3HZ LYS 49 3HZ LYS 49 -25.566 6.241 3.980 395 H TYR 50 H TYR 50 -18.587 5.101 4.104 396 HA TYR 50 HA TYR 50 -20.160 3.583 6.004 397 1HB TYR 50 2HB TYR 50 -17.560 2.929 4.618 398 2HB TYR 50 1HB TYR 50 -18.445 1.826 5.669 399 HD1 TYR 50 1HD TYR 50 -19.061 3.974 2.668 400 HD2 TYR 50 2HD TYR 50 -19.857 0.303 4.663 401 HE1 TYR 50 1HE TYR 50 -20.416 3.241 0.758 402 HE2 TYR 50 2HE TYR 50 -21.211 -0.445 2.752 403 HH TYR 50 HH TYR 50 -21.177 1.110 -0.249 404 H ASN 51 H ASN 51 -17.637 5.834 6.180 405 HA ASN 51 HA ASN 51 -16.824 6.774 8.148 406 1HB ASN 51 2HB ASN 51 -17.295 4.106 9.496 407 2HB ASN 51 1HB ASN 51 -16.802 5.603 10.273 408 1HD2 ASN 51 1HD2 ASN 51 -19.339 3.644 9.825 409 2HD2 ASN 51 2HD2 ASN 51 -20.635 4.777 9.969 410 HA PRO 52 HA PRO 52 -12.722 5.509 7.247 411 1HB PRO 52 2HB PRO 52 -11.376 6.748 9.268 412 2HB PRO 52 1HB PRO 52 -12.030 7.604 7.868 413 1HG PRO 52 2HG PRO 52 -13.183 7.309 10.615 414 2HG PRO 52 1HG PRO 52 -13.097 8.752 9.587 415 1HD PRO 52 2HD PRO 52 -15.352 7.293 9.821 416 2HD PRO 52 1HD PRO 52 -14.903 8.101 8.304 417 H THR 53 H THR 53 -11.036 3.274 9.490 418 HA THR 53 HA THR 53 -10.892 5.401 7.462 419 HB THR 53 HB THR 53 -9.362 5.706 9.377 420 HG1 THR 53 1HG THR 53 -7.960 5.005 7.015 421 1HG2 THR 53 1HG2 THR 53 -8.984 3.311 9.880 422 2HG2 THR 53 2HG2 THR 53 -7.505 4.263 9.765 423 3HG2 THR 53 3HG2 THR 53 -7.981 3.211 8.432 424 H TRP 54 H TRP 54 -10.788 4.735 5.428 425 HA TRP 54 HA TRP 54 -10.224 1.931 4.896 426 1HB TRP 54 2HB TRP 54 -11.241 4.097 3.060 427 2HB TRP 54 1HB TRP 54 -11.065 2.396 2.634 428 HD1 TRP 54 HD TRP 54 -12.864 4.351 5.470 429 HE1 TRP 54 1HE TRP 54 -15.169 3.275 5.819 430 HE3 TRP 54 3HE TRP 54 -12.522 0.604 2.011 431 HZ2 TRP 54 2HZ TRP 54 -16.655 1.108 4.764 432 HZ3 TRP 54 3HZ TRP 54 -14.430 -0.933 1.748 433 HH2 TRP 54 HH TRP 54 -16.450 -0.687 3.098 434 H HIS 55 H HIS 55 -8.426 1.196 4.085 435 HA HIS 55 HA HIS 55 -6.353 3.087 3.291 436 1HB HIS 55 2HB HIS 55 -6.111 0.096 3.637 437 2HB HIS 55 1HB HIS 55 -4.811 1.287 3.632 438 HD1 HIS 55 1HD HIS 55 -5.630 3.292 5.643 439 HD2 HIS 55 2HD HIS 55 -6.387 -0.752 6.191 440 HE1 HIS 55 1HE HIS 55 -5.901 2.994 8.122 441 HE2 HIS 55 2HE HIS 55 -6.406 0.543 8.429 442 H CYS 56 H CYS 56 -5.701 3.328 1.220 443 HA CYS 56 HA CYS 56 -6.809 1.445 -0.759 444 1HB CYS 56 2HB CYS 56 -6.431 4.428 -1.064 445 2HB CYS 56 1HB CYS 56 -7.010 3.338 -2.320 446 HG CYS 56 HG CYS 56 -9.264 3.522 -1.397 447 H ILE 57 H ILE 57 -5.563 0.780 -2.407 448 HA ILE 57 HA ILE 57 -2.916 1.909 -2.839 449 HB ILE 57 HB ILE 57 -3.290 -1.035 -2.260 450 1HG1 ILE 57 2HG1 ILE 57 -3.443 0.337 -0.212 451 2HG1 ILE 57 1HG1 ILE 57 -1.995 -0.663 -0.229 452 1HG2 ILE 57 1HG2 ILE 57 -1.083 0.582 -3.359 453 2HG2 ILE 57 2HG2 ILE 57 -1.497 -1.110 -3.630 454 3HG2 ILE 57 3HG2 ILE 57 -0.639 -0.635 -2.164 455 1HD1 ILE 57 1HD1 ILE 57 -1.858 2.148 -1.201 456 2HD1 ILE 57 2HD1 ILE 57 -0.596 1.140 -0.495 457 3HD1 ILE 57 3HD1 ILE 57 -1.866 1.813 0.529 458 H VAL 58 H VAL 58 -2.302 1.741 -4.973 459 HA VAL 58 HA VAL 58 -3.622 -0.171 -6.713 460 HB VAL 58 HB VAL 58 -3.894 2.792 -7.241 461 1HG1 VAL 58 1HG1 VAL 58 -3.904 1.948 -9.356 462 2HG1 VAL 58 2HG1 VAL 58 -5.600 1.686 -8.951 463 3HG1 VAL 58 3HG1 VAL 58 -4.450 0.353 -8.837 464 1HG2 VAL 58 1HG2 VAL 58 -6.348 2.314 -6.962 465 2HG2 VAL 58 2HG2 VAL 58 -5.393 2.254 -5.481 466 3HG2 VAL 58 3HG2 VAL 58 -5.889 0.757 -6.272 467 H GLY 59 H GLY 59 -2.368 -0.764 -8.384 468 1HA GLY 59 2HA GLY 59 -0.513 0.830 -9.738 469 2HA GLY 59 1HA GLY 59 0.345 -0.004 -8.451 470 H ARG 60 H ARG 60 1.473 -1.580 -9.380 471 HA ARG 60 HA ARG 60 0.209 -3.849 -10.467 472 1HB ARG 60 2HB ARG 60 1.030 -3.717 -12.793 473 2HB ARG 60 1HB ARG 60 -0.155 -2.471 -12.431 474 1HG ARG 60 2HG ARG 60 1.629 -0.833 -12.170 475 2HG ARG 60 1HG ARG 60 2.830 -2.081 -12.503 476 1HD ARG 60 2HD ARG 60 1.908 -2.402 -14.730 477 2HD ARG 60 1HD ARG 60 0.658 -1.203 -14.403 478 HE ARG 60 HE ARG 60 3.298 -0.691 -15.272 479 1HH1 ARG 60 1HH1 ARG 60 0.815 0.574 -13.168 480 2HH1 ARG 60 2HH1 ARG 60 1.415 2.197 -13.234 481 1HH2 ARG 60 1HH2 ARG 60 4.081 1.444 -15.361 482 2HH2 ARG 60 2HH2 ARG 60 3.266 2.692 -14.480 483 H ASN 61 H ASN 61 2.154 -3.271 -8.513 484 HA ASN 61 HA ASN 61 3.962 -5.294 -8.742 485 1HB ASN 61 2HB ASN 61 4.946 -4.130 -10.678 486 2HB ASN 61 1HB ASN 61 5.206 -2.698 -9.693 487 1HD2 ASN 61 1HD2 ASN 61 5.750 -5.536 -7.920 488 2HD2 ASN 61 2HD2 ASN 61 7.466 -5.577 -8.066 489 H PHE 62 H PHE 62 3.154 -5.160 -6.534 490 HA PHE 62 HA PHE 62 5.018 -3.796 -4.823 491 1HB PHE 62 2HB PHE 62 3.424 -2.405 -3.642 492 2HB PHE 62 1HB PHE 62 3.429 -1.984 -5.350 493 HD1 PHE 62 1HD PHE 62 1.582 -3.998 -2.830 494 HD2 PHE 62 2HD PHE 62 1.432 -1.925 -6.543 495 HE1 PHE 62 1HE PHE 62 -0.856 -4.319 -2.908 496 HE2 PHE 62 2HE PHE 62 -1.004 -2.237 -6.625 497 HZ PHE 62 HZ PHE 62 -2.153 -3.436 -4.807 498 H GLY 63 H GLY 63 5.269 -4.764 -2.945 499 1HA GLY 63 2HA GLY 63 3.368 -6.913 -2.220 500 2HA GLY 63 1HA GLY 63 5.089 -6.933 -1.837 501 H SER 64 H SER 64 2.484 -6.905 -0.124 502 HA SER 64 HA SER 64 3.586 -5.091 1.839 503 1HB SER 64 2HB SER 64 1.499 -3.777 2.080 504 2HB SER 64 1HB SER 64 2.298 -3.529 0.528 505 HG SER 64 HG SER 64 -0.065 -4.935 1.114 506 H TYR 65 H TYR 65 2.778 -5.251 3.885 507 HA TYR 65 HA TYR 65 0.887 -7.438 4.430 508 1HB TYR 65 2HB TYR 65 3.251 -8.116 4.916 509 2HB TYR 65 1HB TYR 65 3.358 -6.782 6.061 510 HD1 TYR 65 1HD TYR 65 0.903 -9.528 5.374 511 HD2 TYR 65 2HD TYR 65 3.252 -7.458 8.253 512 HE1 TYR 65 1HE TYR 65 0.017 -10.991 7.141 513 HE2 TYR 65 2HE TYR 65 2.373 -8.914 10.027 514 HH TYR 65 HH TYR 65 0.806 -11.775 9.448 515 H VAL 66 H VAL 66 -0.742 -6.834 5.781 516 HA VAL 66 HA VAL 66 -0.440 -4.536 7.546 517 HB VAL 66 HB VAL 66 -2.586 -4.573 5.421 518 1HG1 VAL 66 1HG1 VAL 66 -3.412 -3.321 7.195 519 2HG1 VAL 66 2HG1 VAL 66 -2.689 -2.106 6.141 520 3HG1 VAL 66 3HG1 VAL 66 -1.830 -2.650 7.577 521 1HG2 VAL 66 1HG2 VAL 66 0.010 -3.046 5.496 522 2HG2 VAL 66 2HG2 VAL 66 -1.328 -2.670 4.411 523 3HG2 VAL 66 3HG2 VAL 66 -0.505 -4.227 4.292 524 H THR 67 H THR 67 -2.508 -4.130 8.788 525 HA THR 67 HA THR 67 -4.004 -6.639 9.222 526 HB THR 67 HB THR 67 -3.121 -4.562 11.249 527 HG1 THR 67 1HG THR 67 -1.894 -6.240 12.073 528 1HG2 THR 67 1HG2 THR 67 -5.427 -5.895 11.521 529 2HG2 THR 67 2HG2 THR 67 -4.381 -5.461 12.872 530 3HG2 THR 67 3HG2 THR 67 -4.308 -7.083 12.185 531 H HIS 68 H HIS 68 -6.235 -6.456 9.557 532 HA HIS 68 HA HIS 68 -7.474 -3.844 9.620 533 1HB HIS 68 2HB HIS 68 -8.697 -4.219 7.481 534 2HB HIS 68 1HB HIS 68 -6.959 -4.006 7.270 535 HD1 HIS 68 1HD HIS 68 -9.585 -6.722 7.288 536 HD2 HIS 68 2HD HIS 68 -5.643 -6.125 6.114 537 HE1 HIS 68 1HE HIS 68 -8.938 -8.796 6.026 538 HE2 HIS 68 2HE HIS 68 -6.518 -8.461 5.427 539 H GLU 69 H GLU 69 -9.671 -3.875 10.028 540 HA GLU 69 HA GLU 69 -10.650 -5.902 11.659 541 1HB GLU 69 2HB GLU 69 -11.472 -3.615 11.738 542 2HB GLU 69 1HB GLU 69 -12.134 -3.773 10.119 543 1HG GLU 69 2HG GLU 69 -13.860 -3.922 11.814 544 2HG GLU 69 1HG GLU 69 -13.721 -5.426 10.903 545 H THR 70 H THR 70 -12.357 -7.407 11.370 546 HA THR 70 HA THR 70 -12.145 -9.044 9.134 547 HB THR 70 HB THR 70 -14.199 -10.155 9.981 548 HG1 THR 70 1HG THR 70 -15.380 -9.270 11.532 549 1HG2 THR 70 1HG2 THR 70 -11.757 -10.057 11.228 550 2HG2 THR 70 2HG2 THR 70 -13.065 -11.189 11.575 551 3HG2 THR 70 3HG2 THR 70 -12.897 -9.717 12.530 552 H LYS 71 H LYS 71 -13.333 -9.384 7.321 553 HA LYS 71 HA LYS 71 -14.581 -8.878 5.500 554 1HB LYS 71 2HB LYS 71 -16.405 -7.919 7.694 555 2HB LYS 71 1HB LYS 71 -16.878 -7.888 6.002 556 1HG LYS 71 2HG LYS 71 -17.735 -9.861 7.149 557 2HG LYS 71 1HG LYS 71 -16.613 -10.296 5.859 558 1HD LYS 71 2HD LYS 71 -14.846 -10.638 7.488 559 2HD LYS 71 1HD LYS 71 -15.926 -10.138 8.791 560 1HE LYS 71 2HE LYS 71 -17.395 -12.033 8.284 561 2HE LYS 71 1HE LYS 71 -16.303 -12.528 6.989 562 1HZ LYS 71 1HZ LYS 71 -15.927 -12.685 9.898 563 2HZ LYS 71 2HZ LYS 71 -14.567 -12.532 8.904 564 3HZ LYS 71 3HZ LYS 71 -15.612 -13.848 8.709 565 H HIS 72 H HIS 72 -12.666 -6.842 6.554 566 HA HIS 72 HA HIS 72 -13.814 -4.514 5.159 567 1HB HIS 72 2HB HIS 72 -12.025 -4.552 7.592 568 2HB HIS 72 1HB HIS 72 -12.301 -3.110 6.629 569 HD1 HIS 72 1HD HIS 72 -13.153 -2.515 9.260 570 HD2 HIS 72 2HD HIS 72 -15.634 -4.764 6.807 571 HE1 HIS 72 1HE HIS 72 -15.446 -2.323 10.266 572 HE2 HIS 72 2HE HIS 72 -16.943 -3.647 8.733 573 H PHE 73 H PHE 73 -12.626 -6.205 3.542 574 HA PHE 73 HA PHE 73 -10.361 -4.769 2.579 575 1HB PHE 73 2HB PHE 73 -9.202 -6.033 4.304 576 2HB PHE 73 1HB PHE 73 -9.894 -7.537 3.706 577 HD1 PHE 73 1HD PHE 73 -9.326 -8.141 1.237 578 HD2 PHE 73 2HD PHE 73 -7.113 -5.377 3.596 579 HE1 PHE 73 1HE PHE 73 -7.383 -8.437 -0.246 580 HE2 PHE 73 2HE PHE 73 -5.167 -5.667 2.120 581 HZ PHE 73 HZ PHE 73 -5.301 -7.199 0.197 582 H ILE 74 H ILE 74 -9.790 -5.325 0.451 583 HA ILE 74 HA ILE 74 -10.866 -7.627 -0.855 584 HB ILE 74 HB ILE 74 -12.941 -6.422 -0.756 585 1HG1 ILE 74 2HG1 ILE 74 -11.725 -6.149 -3.516 586 2HG1 ILE 74 1HG1 ILE 74 -12.459 -7.609 -2.861 587 1HG2 ILE 74 1HG2 ILE 74 -11.861 -4.186 -0.408 588 2HG2 ILE 74 2HG2 ILE 74 -13.252 -4.187 -1.493 589 3HG2 ILE 74 3HG2 ILE 74 -11.618 -4.110 -2.152 590 1HD1 ILE 74 1HD1 ILE 74 -14.417 -5.690 -2.556 591 2HD1 ILE 74 2HD1 ILE 74 -14.336 -6.924 -3.814 592 3HD1 ILE 74 3HD1 ILE 74 -13.684 -5.314 -4.115 593 H TYR 75 H TYR 75 -9.653 -8.107 -2.559 594 HA TYR 75 HA TYR 75 -7.970 -5.993 -3.749 595 1HB TYR 75 2HB TYR 75 -6.709 -7.784 -2.565 596 2HB TYR 75 1HB TYR 75 -7.436 -8.972 -3.642 597 HD1 TYR 75 1HD TYR 75 -5.622 -5.714 -3.990 598 HD2 TYR 75 2HD TYR 75 -6.081 -9.726 -5.328 599 HE1 TYR 75 1HE TYR 75 -3.785 -5.386 -5.592 600 HE2 TYR 75 2HE TYR 75 -4.248 -9.409 -6.932 601 HH TYR 75 HH TYR 75 -2.333 -7.992 -7.281 602 H PHE 76 H PHE 76 -7.952 -5.794 -5.992 603 HA PHE 76 HA PHE 76 -9.073 -7.762 -7.714 604 1HB PHE 76 2HB PHE 76 -11.069 -6.507 -8.427 605 2HB PHE 76 1HB PHE 76 -11.158 -6.983 -6.735 606 HD1 PHE 76 1HD PHE 76 -10.116 -5.123 -5.090 607 HD2 PHE 76 2HD PHE 76 -11.766 -4.394 -8.945 608 HE1 PHE 76 1HE PHE 76 -10.542 -2.784 -4.461 609 HE2 PHE 76 2HE PHE 76 -12.195 -2.053 -8.323 610 HZ PHE 76 HZ PHE 76 -11.583 -1.245 -6.078 611 H TYR 77 H TYR 77 -8.516 -7.443 -9.791 612 HA TYR 77 HA TYR 77 -6.722 -5.272 -10.387 613 1HB TYR 77 2HB TYR 77 -7.735 -7.485 -12.184 614 2HB TYR 77 1HB TYR 77 -6.394 -6.403 -12.537 615 HD1 TYR 77 1HD TYR 77 -7.487 -8.872 -9.946 616 HD2 TYR 77 2HD TYR 77 -4.245 -7.114 -12.068 617 HE1 TYR 77 1HE TYR 77 -5.937 -10.435 -8.858 618 HE2 TYR 77 2HE TYR 77 -2.687 -8.679 -10.988 619 HH TYR 77 HH TYR 77 -2.911 -10.089 -8.517 620 H LEU 78 H LEU 78 -7.004 -3.663 -11.938 621 HA LEU 78 HA LEU 78 -9.312 -3.431 -13.566 622 1HB LEU 78 2HB LEU 78 -10.430 -2.965 -11.478 623 2HB LEU 78 1HB LEU 78 -9.223 -1.770 -11.056 624 HG LEU 78 HG LEU 78 -9.981 -0.300 -12.827 625 1HD1 LEU 78 1HD1 LEU 78 -11.093 -2.677 -13.900 626 2HD1 LEU 78 2HD1 LEU 78 -11.034 -1.067 -14.617 627 3HD1 LEU 78 3HD1 LEU 78 -12.410 -1.538 -13.621 628 1HD2 LEU 78 1HD2 LEU 78 -12.171 -1.378 -11.065 629 2HD2 LEU 78 2HD2 LEU 78 -12.314 0.101 -12.014 630 3HD2 LEU 78 3HD2 LEU 78 -11.098 -0.017 -10.742 631 H GLY 79 H GLY 79 -9.067 -1.901 -15.123 632 1HA GLY 79 2HA GLY 79 -7.979 -0.384 -16.454 633 2HA GLY 79 1HA GLY 79 -7.649 0.483 -14.963 634 H GLN 80 H GLN 80 -6.517 -2.703 -16.008 635 HA GLN 80 HA GLN 80 -4.433 -3.581 -16.169 636 1HB GLN 80 2HB GLN 80 -3.769 -0.803 -17.162 637 2HB GLN 80 1HB GLN 80 -2.758 -2.225 -17.370 638 1HG GLN 80 2HG GLN 80 -5.516 -1.841 -18.511 639 2HG GLN 80 1HG GLN 80 -3.996 -1.704 -19.395 640 1HE2 GLN 80 1HE2 GLN 80 -3.536 -3.408 -20.565 641 2HE2 GLN 80 2HE2 GLN 80 -3.961 -5.046 -20.209 642 H VAL 81 H VAL 81 -5.192 -2.481 -13.649 643 HA VAL 81 HA VAL 81 -2.595 -2.350 -12.414 644 HB VAL 81 HB VAL 81 -3.027 -0.257 -11.169 645 1HG1 VAL 81 1HG1 VAL 81 -3.069 0.203 -14.147 646 2HG1 VAL 81 2HG1 VAL 81 -1.646 -0.318 -13.244 647 3HG1 VAL 81 3HG1 VAL 81 -2.376 1.252 -12.910 648 1HG2 VAL 81 1HG2 VAL 81 -4.752 1.284 -11.887 649 2HG2 VAL 81 2HG2 VAL 81 -5.480 -0.250 -11.413 650 3HG2 VAL 81 3HG2 VAL 81 -5.290 0.145 -13.122 651 H ALA 82 H ALA 82 -2.661 -3.326 -10.484 652 HA ALA 82 HA ALA 82 -5.078 -4.499 -9.570 653 1HB ALA 82 1HB ALA 82 -3.354 -5.857 -9.014 654 2HB ALA 82 2HB ALA 82 -3.440 -4.941 -7.510 655 3HB ALA 82 3HB ALA 82 -2.243 -4.517 -8.732 656 H ILE 83 H ILE 83 -6.585 -3.680 -8.298 657 HA ILE 83 HA ILE 83 -5.984 -1.252 -6.764 658 HB ILE 83 HB ILE 83 -8.656 -2.451 -7.514 659 1HG1 ILE 83 2HG1 ILE 83 -7.191 0.002 -8.512 660 2HG1 ILE 83 1HG1 ILE 83 -7.500 -1.471 -9.425 661 1HG2 ILE 83 1HG2 ILE 83 -7.990 0.080 -6.018 662 2HG2 ILE 83 2HG2 ILE 83 -8.853 -1.326 -5.397 663 3HG2 ILE 83 3HG2 ILE 83 -9.589 -0.322 -6.646 664 1HD1 ILE 83 1HD1 ILE 83 -9.899 -1.027 -9.315 665 2HD1 ILE 83 2HD1 ILE 83 -9.020 0.297 -10.078 666 3HD1 ILE 83 3HD1 ILE 83 -9.580 0.453 -8.413 667 H LEU 84 H LEU 84 -6.557 -1.071 -4.575 668 HA LEU 84 HA LEU 84 -7.373 -3.508 -3.188 669 1HB LEU 84 2HB LEU 84 -4.933 -3.569 -3.200 670 2HB LEU 84 1HB LEU 84 -4.878 -1.951 -2.528 671 HG LEU 84 HG LEU 84 -5.955 -2.789 -0.465 672 1HD1 LEU 84 1HD1 LEU 84 -6.715 -4.928 -2.005 673 2HD1 LEU 84 2HD1 LEU 84 -6.800 -4.843 -0.246 674 3HD1 LEU 84 3HD1 LEU 84 -5.410 -5.596 -1.026 675 1HD2 LEU 84 1HD2 LEU 84 -3.325 -3.694 -1.458 676 2HD2 LEU 84 2HD2 LEU 84 -3.923 -4.478 0.004 677 3HD2 LEU 84 3HD2 LEU 84 -3.735 -2.724 -0.042 678 H LEU 85 H LEU 85 -8.519 -3.162 -1.340 679 HA LEU 85 HA LEU 85 -8.633 -0.514 -0.156 680 1HB LEU 85 2HB LEU 85 -10.293 -0.380 -1.945 681 2HB LEU 85 1HB LEU 85 -11.068 -1.839 -1.355 682 HG LEU 85 HG LEU 85 -11.649 -0.663 0.741 683 1HD1 LEU 85 1HD1 LEU 85 -10.259 1.058 1.188 684 2HD1 LEU 85 2HD1 LEU 85 -11.476 1.977 0.301 685 3HD1 LEU 85 3HD1 LEU 85 -10.006 1.442 -0.516 686 1HD2 LEU 85 1HD2 LEU 85 -12.610 0.136 -1.933 687 2HD2 LEU 85 2HD2 LEU 85 -13.104 1.158 -0.584 688 3HD2 LEU 85 3HD2 LEU 85 -13.485 -0.564 -0.570 689 H PHE 86 H PHE 86 -9.164 -0.563 1.983 690 HA PHE 86 HA PHE 86 -10.613 -2.640 3.234 691 1HB PHE 86 2HB PHE 86 -8.755 -3.694 4.500 692 2HB PHE 86 1HB PHE 86 -8.668 -4.011 2.773 693 HD1 PHE 86 1HD PHE 86 -7.165 -2.300 1.423 694 HD2 PHE 86 2HD PHE 86 -6.854 -3.061 5.596 695 HE1 PHE 86 1HE PHE 86 -4.849 -1.475 1.395 696 HE2 PHE 86 2HE PHE 86 -4.539 -2.236 5.576 697 HZ PHE 86 HZ PHE 86 -3.531 -1.443 3.475 698 H LYS 87 H LYS 87 -11.521 -1.651 4.900 699 HA LYS 87 HA LYS 87 -10.299 0.719 6.023 700 1HB LYS 87 2HB LYS 87 -12.377 1.022 7.229 701 2HB LYS 87 1HB LYS 87 -12.706 0.715 5.534 702 1HG LYS 87 2HG LYS 87 -13.321 -1.557 6.008 703 2HG LYS 87 1HG LYS 87 -12.851 -1.365 7.696 704 1HD LYS 87 2HD LYS 87 -15.031 0.230 6.359 705 2HD LYS 87 1HD LYS 87 -15.316 -1.251 7.269 706 1HE LYS 87 2HE LYS 87 -15.751 0.509 8.769 707 2HE LYS 87 1HE LYS 87 -14.164 -0.112 9.216 708 1HZ LYS 87 1HZ LYS 87 -14.776 2.488 8.734 709 2HZ LYS 87 2HZ LYS 87 -14.036 2.011 7.290 710 3HZ LYS 87 3HZ LYS 87 -13.216 1.835 8.760 711 H SER 88 H SER 88 -10.508 1.026 8.437 712 HA SER 88 HA SER 88 -10.122 -1.364 10.032 713 1HB SER 88 2HB SER 88 -7.864 -0.969 9.127 714 2HB SER 88 1HB SER 88 -7.910 0.687 9.735 715 HG SER 88 HG SER 88 -7.000 -0.241 11.409 716 H GLY 89 H GLY 89 -10.898 -1.061 12.018 717 1HA GLY 89 2HA GLY 89 -12.237 1.287 12.753 718 2HA GLY 89 1HA GLY 89 -11.829 -0.029 13.845 719 1H MET 1 1HT MET 1 31.278 -2.209 9.446 720 2H MET 1 2HT MET 1 30.436 -1.250 10.594 721 3H MET 1 3HT MET 1 29.710 -1.618 9.083 722 HA MET 1 HA MET 1 29.922 -4.006 9.744 723 1HB MET 1 2HB MET 1 30.276 -2.634 12.417 724 2HB MET 1 1HB MET 1 30.002 -4.355 12.189 725 1HG MET 1 2HG MET 1 32.109 -4.537 10.975 726 2HG MET 1 1HG MET 1 32.385 -2.809 11.196 727 1HE MET 1 1HE MET 1 33.197 -2.195 14.665 728 2HE MET 1 2HE MET 1 31.514 -2.711 14.789 729 3HE MET 1 3HE MET 1 32.044 -1.752 13.407 730 H CYS 2 H CYS 2 28.528 -1.203 11.422 731 HA CYS 2 HA CYS 2 26.064 -2.372 12.077 732 1HB CYS 2 2HB CYS 2 26.698 0.534 11.527 733 2HB CYS 2 1HB CYS 2 25.250 -0.058 12.333 734 HG CYS 2 HG CYS 2 27.590 0.692 13.803 735 H ASP 3 H ASP 3 27.063 -0.488 9.244 736 HA ASP 3 HA ASP 3 26.182 -0.288 7.156 737 1HB ASP 3 2HB ASP 3 24.651 -2.783 7.926 738 2HB ASP 3 1HB ASP 3 24.792 -2.139 6.294 739 H ARG 4 H ARG 4 24.655 1.016 6.330 740 HA ARG 4 HA ARG 4 21.919 0.971 6.956 741 1HB ARG 4 2HB ARG 4 22.913 1.796 9.154 742 2HB ARG 4 1HB ARG 4 23.373 3.256 8.295 743 1HG ARG 4 2HG ARG 4 20.545 2.257 8.541 744 2HG ARG 4 1HG ARG 4 21.277 3.446 9.614 745 1HD ARG 4 2HD ARG 4 20.774 3.717 6.657 746 2HD ARG 4 1HD ARG 4 19.989 4.598 7.959 747 HE ARG 4 HE ARG 4 22.728 5.084 8.138 748 1HH1 ARG 4 1HH1 ARG 4 20.084 5.734 5.954 749 2HH1 ARG 4 2HH1 ARG 4 20.776 7.205 5.356 750 1HH2 ARG 4 1HH2 ARG 4 23.638 7.019 7.353 751 2HH2 ARG 4 2HH2 ARG 4 22.793 7.935 6.151 752 H LYS 5 H LYS 5 20.913 1.949 5.319 753 HA LYS 5 HA LYS 5 22.058 4.306 4.062 754 1HB LYS 5 2HB LYS 5 21.476 1.773 2.508 755 2HB LYS 5 1HB LYS 5 21.901 3.323 1.796 756 1HG LYS 5 2HG LYS 5 23.674 1.768 3.665 757 2HG LYS 5 1HG LYS 5 23.783 1.728 1.903 758 1HD LYS 5 2HD LYS 5 24.241 4.121 1.863 759 2HD LYS 5 1HD LYS 5 24.093 4.192 3.619 760 1HE LYS 5 2HE LYS 5 25.996 2.665 3.835 761 2HE LYS 5 1HE LYS 5 26.139 2.595 2.080 762 1HZ LYS 5 1HZ LYS 5 27.544 4.264 3.560 763 2HZ LYS 5 2HZ LYS 5 26.188 5.242 3.302 764 3HZ LYS 5 3HZ LYS 5 27.061 4.642 1.983 765 H ALA 6 H ALA 6 20.045 3.319 1.757 766 HA ALA 6 HA ALA 6 17.878 3.712 1.196 767 1HB ALA 6 1HB ALA 6 17.531 2.167 3.194 768 2HB ALA 6 2HB ALA 6 16.176 3.187 2.719 769 3HB ALA 6 3HB ALA 6 17.165 3.628 4.112 770 H VAL 7 H VAL 7 16.806 5.552 0.678 771 HA VAL 7 HA VAL 7 17.546 7.962 2.146 772 HB VAL 7 HB VAL 7 16.589 9.155 0.213 773 1HG1 VAL 7 1HG1 VAL 7 18.418 8.734 -1.281 774 2HG1 VAL 7 2HG1 VAL 7 18.659 7.127 -0.596 775 3HG1 VAL 7 3HG1 VAL 7 18.995 8.560 0.376 776 1HG2 VAL 7 1HG2 VAL 7 15.292 6.822 -0.335 777 2HG2 VAL 7 2HG2 VAL 7 16.589 6.813 -1.529 778 3HG2 VAL 7 3HG2 VAL 7 15.468 8.172 -1.455 779 H ILE 8 H ILE 8 16.123 9.274 3.133 780 HA ILE 8 HA ILE 8 13.493 8.222 3.710 781 HB ILE 8 HB ILE 8 14.960 10.663 4.706 782 1HG1 ILE 8 2HG1 ILE 8 14.918 9.442 6.852 783 2HG1 ILE 8 1HG1 ILE 8 14.092 8.101 6.064 784 1HG2 ILE 8 1HG2 ILE 8 13.106 10.962 6.301 785 2HG2 ILE 8 2HG2 ILE 8 12.192 9.723 5.443 786 3HG2 ILE 8 3HG2 ILE 8 12.613 11.231 4.630 787 1HD1 ILE 8 1HD1 ILE 8 15.991 7.531 4.817 788 2HD1 ILE 8 2HD1 ILE 8 16.579 7.865 6.447 789 3HD1 ILE 8 3HD1 ILE 8 16.786 9.065 5.169 790 H LYS 9 H LYS 9 11.526 9.197 3.206 791 HA LYS 9 HA LYS 9 11.640 11.391 1.246 792 1HB LYS 9 2HB LYS 9 11.269 9.163 0.164 793 2HB LYS 9 1HB LYS 9 9.775 9.022 1.080 794 1HG LYS 9 2HG LYS 9 9.310 9.764 -1.167 795 2HG LYS 9 1HG LYS 9 8.926 11.046 -0.015 796 1HD LYS 9 2HD LYS 9 11.058 12.135 -0.512 797 2HD LYS 9 1HD LYS 9 11.455 10.848 -1.652 798 1HE LYS 9 2HE LYS 9 9.511 11.453 -3.009 799 2HE LYS 9 1HE LYS 9 9.109 12.733 -1.866 800 1HZ LYS 9 1HZ LYS 9 10.252 13.785 -3.593 801 2HZ LYS 9 2HZ LYS 9 11.428 12.573 -3.694 802 3HZ LYS 9 3HZ LYS 9 11.413 13.626 -2.372 803 H ASN 10 H ASN 10 9.684 9.649 3.628 804 HA ASN 10 HA ASN 10 8.214 12.146 4.120 805 1HB ASN 10 2HB ASN 10 7.002 9.388 3.882 806 2HB ASN 10 1HB ASN 10 6.144 10.804 4.485 807 1HD2 ASN 10 1HD2 ASN 10 6.596 8.940 1.856 808 2HD2 ASN 10 2HD2 ASN 10 6.219 10.077 0.615 809 H ALA 11 H ALA 11 10.295 11.659 5.659 810 HA ALA 11 HA ALA 11 10.011 9.951 7.842 811 1HB ALA 11 1HB ALA 11 11.665 12.252 7.155 812 2HB ALA 11 2HB ALA 11 12.088 10.763 7.998 813 3HB ALA 11 3HB ALA 11 11.362 12.103 8.886 814 H ASP 12 H ASP 12 8.988 10.069 9.769 815 HA ASP 12 HA ASP 12 7.950 12.397 10.952 816 1HB ASP 12 2HB ASP 12 6.367 12.364 9.084 817 2HB ASP 12 1HB ASP 12 5.922 10.708 9.473 818 H MET 13 H MET 13 9.428 10.546 12.059 819 HA MET 13 HA MET 13 7.845 9.547 14.198 820 1HB MET 13 2HB MET 13 7.368 7.842 12.444 821 2HB MET 13 1HB MET 13 9.085 7.480 12.372 822 1HG MET 13 2HG MET 13 9.020 6.809 14.735 823 2HG MET 13 1HG MET 13 7.283 7.108 14.751 824 1HE MET 13 1HE MET 13 5.458 5.207 13.335 825 2HE MET 13 2HE MET 13 6.219 4.607 11.863 826 3HE MET 13 3HE MET 13 6.240 6.330 12.226 827 H SER 14 H SER 14 9.131 8.745 15.929 828 HA SER 14 HA SER 14 11.451 9.996 16.501 829 1HB SER 14 2HB SER 14 10.721 7.188 17.359 830 2HB SER 14 1HB SER 14 11.929 8.206 18.144 831 HG SER 14 HG SER 14 10.111 9.757 18.371 832 H GLU 15 H GLU 15 13.609 9.768 16.211 833 HA GLU 15 HA GLU 15 14.641 8.690 13.899 834 1HB GLU 15 2HB GLU 15 16.857 8.983 14.906 835 2HB GLU 15 1HB GLU 15 15.818 10.369 15.205 836 1HG GLU 15 2HG GLU 15 15.368 9.551 17.459 837 2HG GLU 15 1HG GLU 15 16.409 8.159 17.161 838 H GLU 16 H GLU 16 14.564 7.209 17.105 839 HA GLU 16 HA GLU 16 16.069 4.939 16.448 840 1HB GLU 16 2HB GLU 16 15.050 3.903 18.437 841 2HB GLU 16 1HB GLU 16 15.605 5.540 18.762 842 1HG GLU 16 2HG GLU 16 13.316 6.363 18.541 843 2HG GLU 16 1HG GLU 16 12.760 4.721 18.216 844 H MET 17 H MET 17 12.582 5.534 16.254 845 HA MET 17 HA MET 17 11.884 2.910 15.496 846 1HB MET 17 2HB MET 17 10.448 5.488 14.863 847 2HB MET 17 1HB MET 17 9.760 3.874 14.766 848 1HG MET 17 2HG MET 17 10.051 3.598 17.170 849 2HG MET 17 1HG MET 17 10.752 5.211 17.273 850 1HE MET 17 1HE MET 17 9.004 5.852 19.174 851 2HE MET 17 2HE MET 17 8.312 4.233 19.073 852 3HE MET 17 3HE MET 17 7.261 5.648 19.004 853 H GLN 18 H GLN 18 12.418 5.832 13.542 854 HA GLN 18 HA GLN 18 12.053 4.556 11.051 855 1HB GLN 18 2HB GLN 18 13.227 6.538 10.110 856 2HB GLN 18 1HB GLN 18 11.898 6.949 11.186 857 1HG GLN 18 2HG GLN 18 13.541 7.320 12.995 858 2HG GLN 18 1HG GLN 18 14.833 7.022 11.834 859 1HE2 GLN 18 1HE2 GLN 18 12.917 9.330 13.257 860 2HE2 GLN 18 2HE2 GLN 18 13.197 10.631 12.161 861 H GLN 19 H GLN 19 14.871 5.050 13.092 862 HA GLN 19 HA GLN 19 16.763 4.101 11.194 863 1HB GLN 19 2HB GLN 19 16.821 4.519 14.173 864 2HB GLN 19 1HB GLN 19 18.187 3.799 13.325 865 1HG GLN 19 2HG GLN 19 17.007 6.515 12.786 866 2HG GLN 19 1HG GLN 19 18.489 6.191 13.681 867 1HE2 GLN 19 1HE2 GLN 19 17.342 7.163 10.799 868 2HE2 GLN 19 2HE2 GLN 19 18.650 6.693 9.773 869 H ASP 20 H ASP 20 14.959 2.594 13.827 870 HA ASP 20 HA ASP 20 16.182 0.038 13.580 871 1HB ASP 20 2HB ASP 20 13.527 0.854 14.781 872 2HB ASP 20 1HB ASP 20 14.211 -0.764 14.900 873 H SER 21 H SER 21 13.375 1.556 12.108 874 HA SER 21 HA SER 21 12.344 -0.783 10.903 875 1HB SER 21 2HB SER 21 10.994 1.256 11.092 876 2HB SER 21 1HB SER 21 12.107 2.109 10.022 877 HG SER 21 HG SER 21 11.515 0.658 8.367 878 H VAL 22 H VAL 22 14.612 1.695 9.809 879 HA VAL 22 HA VAL 22 15.011 0.679 7.214 880 HB VAL 22 HB VAL 22 16.941 2.256 8.924 881 1HG1 VAL 22 1HG1 VAL 22 18.334 2.392 7.189 882 2HG1 VAL 22 2HG1 VAL 22 17.024 2.668 6.043 883 3HG1 VAL 22 3HG1 VAL 22 17.447 1.024 6.520 884 1HG2 VAL 22 1HG2 VAL 22 15.797 4.130 8.489 885 2HG2 VAL 22 2HG2 VAL 22 14.451 3.051 8.124 886 3HG2 VAL 22 3HG2 VAL 22 15.472 3.659 6.821 887 H GLU 23 H GLU 23 16.762 0.174 10.246 888 HA GLU 23 HA GLU 23 18.715 -1.566 9.180 889 1HB GLU 23 2HB GLU 23 17.673 -1.261 12.000 890 2HB GLU 23 1HB GLU 23 19.060 -2.251 11.565 891 1HG GLU 23 2HG GLU 23 20.229 -0.282 10.744 892 2HG GLU 23 1HG GLU 23 18.835 0.720 11.143 893 H CYS 24 H CYS 24 15.619 -2.143 10.788 894 HA CYS 24 HA CYS 24 15.763 -4.955 10.787 895 1HB CYS 24 2HB CYS 24 13.395 -3.085 10.830 896 2HB CYS 24 1HB CYS 24 13.243 -4.833 10.981 897 HG CYS 24 HG CYS 24 14.255 -2.924 13.154 898 H ALA 25 H ALA 25 14.694 -2.659 8.349 899 HA ALA 25 HA ALA 25 13.495 -4.575 6.629 900 1HB ALA 25 1HB ALA 25 13.288 -1.965 6.675 901 2HB ALA 25 2HB ALA 25 13.167 -2.840 5.148 902 3HB ALA 25 3HB ALA 25 14.675 -2.038 5.588 903 H THR 26 H THR 26 16.699 -3.207 6.987 904 HA THR 26 HA THR 26 17.838 -4.227 4.650 905 HB THR 26 HB THR 26 19.152 -3.653 7.308 906 HG1 THR 26 1HG THR 26 18.397 -1.751 6.657 907 1HG2 THR 26 1HG2 THR 26 20.802 -4.807 6.177 908 2HG2 THR 26 2HG2 THR 26 21.129 -3.128 5.751 909 3HG2 THR 26 3HG2 THR 26 20.303 -4.183 4.604 910 H GLN 27 H GLN 27 17.656 -5.549 7.920 911 HA GLN 27 HA GLN 27 19.135 -7.886 7.496 912 1HB GLN 27 2HB GLN 27 16.777 -7.465 9.347 913 2HB GLN 27 1HB GLN 27 17.933 -8.785 9.452 914 1HG GLN 27 2HG GLN 27 19.724 -7.191 9.910 915 2HG GLN 27 1HG GLN 27 18.571 -5.863 9.793 916 1HE2 GLN 27 1HE2 GLN 27 17.952 -5.118 11.679 917 2HE2 GLN 27 2HE2 GLN 27 17.774 -6.032 13.134 918 H ALA 28 H ALA 28 15.664 -7.260 7.198 919 HA ALA 28 HA ALA 28 14.802 -9.812 6.551 920 1HB ALA 28 1HB ALA 28 12.847 -8.784 5.637 921 2HB ALA 28 2HB ALA 28 13.697 -7.256 5.410 922 3HB ALA 28 3HB ALA 28 13.359 -7.843 7.039 923 H LEU 29 H LEU 29 16.124 -7.292 4.443 924 HA LEU 29 HA LEU 29 15.672 -8.587 1.999 925 1HB LEU 29 2HB LEU 29 17.688 -6.543 2.876 926 2HB LEU 29 1HB LEU 29 17.663 -7.159 1.236 927 HG LEU 29 HG LEU 29 15.226 -5.919 2.481 928 1HD1 LEU 29 1HD1 LEU 29 17.334 -4.491 0.861 929 2HD1 LEU 29 2HD1 LEU 29 17.123 -4.325 2.604 930 3HD1 LEU 29 3HD1 LEU 29 15.845 -3.801 1.508 931 1HD2 LEU 29 1HD2 LEU 29 15.140 -7.327 0.367 932 2HD2 LEU 29 2HD2 LEU 29 16.057 -6.033 -0.405 933 3HD2 LEU 29 3HD2 LEU 29 14.459 -5.702 0.264 934 H GLU 30 H GLU 30 18.521 -8.579 4.098 935 HA GLU 30 HA GLU 30 20.088 -10.264 2.464 936 1HB GLU 30 2HB GLU 30 20.272 -9.756 5.435 937 2HB GLU 30 1HB GLU 30 21.515 -10.531 4.460 938 1HG GLU 30 2HG GLU 30 20.531 -7.702 4.159 939 2HG GLU 30 1HG GLU 30 22.056 -8.206 4.885 940 H LYS 31 H LYS 31 17.740 -10.944 4.979 941 HA LYS 31 HA LYS 31 18.472 -13.741 5.061 942 1HB LYS 31 2HB LYS 31 16.754 -13.949 6.774 943 2HB LYS 31 1HB LYS 31 17.837 -12.611 7.127 944 1HG LYS 31 2HG LYS 31 16.114 -11.099 6.092 945 2HG LYS 31 1HG LYS 31 15.030 -12.485 6.084 946 1HD LYS 31 2HD LYS 31 16.341 -11.266 8.512 947 2HD LYS 31 1HD LYS 31 14.648 -11.098 8.050 948 1HE LYS 31 2HE LYS 31 14.711 -12.757 9.730 949 2HE LYS 31 1HE LYS 31 14.483 -13.611 8.208 950 1HZ LYS 31 1HZ LYS 31 16.385 -14.703 8.480 951 2HZ LYS 31 2HZ LYS 31 16.392 -14.141 10.074 952 3HZ LYS 31 3HZ LYS 31 17.246 -13.302 8.882 953 H TYR 32 H TYR 32 16.000 -11.760 3.541 954 HA TYR 32 HA TYR 32 14.988 -14.226 2.299 955 1HB TYR 32 2HB TYR 32 13.289 -11.949 3.319 956 2HB TYR 32 1HB TYR 32 12.691 -13.291 2.351 957 HD1 TYR 32 1HD TYR 32 13.625 -15.680 3.443 958 HD2 TYR 32 2HD TYR 32 12.708 -12.086 5.519 959 HE1 TYR 32 1HE TYR 32 13.215 -16.975 5.494 960 HE2 TYR 32 2HE TYR 32 12.292 -13.363 7.577 961 HH TYR 32 HH TYR 32 11.564 -16.173 7.879 962 H ASN 33 H ASN 33 14.971 -10.673 2.058 963 HA ASN 33 HA ASN 33 15.216 -9.287 0.267 964 1HB ASN 33 2HB ASN 33 17.081 -10.751 -0.414 965 2HB ASN 33 1HB ASN 33 15.949 -11.794 -1.263 966 1HD2 ASN 33 1HD2 ASN 33 15.928 -11.490 -3.356 967 2HD2 ASN 33 2HD2 ASN 33 16.204 -9.995 -4.177 968 H ILE 34 H ILE 34 12.685 -9.932 0.913 969 HA ILE 34 HA ILE 34 11.377 -10.015 -1.714 970 HB ILE 34 HB ILE 34 10.363 -11.510 0.706 971 1HG1 ILE 34 2HG1 ILE 34 12.280 -12.635 -0.326 972 2HG1 ILE 34 1HG1 ILE 34 10.794 -13.535 -0.622 973 1HG2 ILE 34 1HG2 ILE 34 9.240 -11.063 -2.042 974 2HG2 ILE 34 2HG2 ILE 34 8.479 -10.763 -0.481 975 3HG2 ILE 34 3HG2 ILE 34 8.734 -12.418 -1.032 976 1HD1 ILE 34 1HD1 ILE 34 11.151 -11.730 -2.771 977 2HD1 ILE 34 2HD1 ILE 34 11.212 -13.492 -2.788 978 3HD1 ILE 34 3HD1 ILE 34 12.681 -12.561 -2.493 979 H GLU 35 H GLU 35 9.828 -8.521 -1.984 980 HA GLU 35 HA GLU 35 9.632 -6.315 -0.339 981 1HB GLU 35 2HB GLU 35 7.530 -7.294 -2.272 982 2HB GLU 35 1HB GLU 35 7.718 -5.649 -1.685 983 1HG GLU 35 2HG GLU 35 9.685 -7.156 -3.394 984 2HG GLU 35 1HG GLU 35 8.591 -5.884 -3.934 985 H LYS 36 H LYS 36 7.162 -8.876 -0.676 986 HA LYS 36 HA LYS 36 5.524 -7.824 1.383 987 1HB LYS 36 2HB LYS 36 4.723 -9.254 -0.479 988 2HB LYS 36 1HB LYS 36 5.535 -10.623 0.258 989 1HG LYS 36 2HG LYS 36 3.458 -9.047 1.739 990 2HG LYS 36 1HG LYS 36 3.022 -10.354 0.639 991 1HD LYS 36 2HD LYS 36 4.719 -10.553 3.126 992 2HD LYS 36 1HD LYS 36 3.101 -11.204 2.882 993 1HE LYS 36 2HE LYS 36 5.611 -12.067 1.450 994 2HE LYS 36 1HE LYS 36 4.750 -12.968 2.696 995 1HZ LYS 36 1HZ LYS 36 2.888 -13.226 1.254 996 2HZ LYS 36 2HZ LYS 36 4.267 -13.711 0.402 997 3HZ LYS 36 3HZ LYS 36 3.565 -12.205 0.085 998 H ASP 37 H ASP 37 7.745 -10.625 1.363 999 HA ASP 37 HA ASP 37 7.250 -11.478 3.968 1000 1HB ASP 37 2HB ASP 37 9.863 -11.633 2.458 1001 2HB ASP 37 1HB ASP 37 9.424 -12.602 3.858 1002 H ILE 38 H ILE 38 9.707 -9.179 2.816 1003 HA ILE 38 HA ILE 38 10.981 -8.687 5.232 1004 HB ILE 38 HB ILE 38 10.511 -6.833 2.900 1005 1HG1 ILE 38 2HG1 ILE 38 12.969 -8.389 3.723 1006 2HG1 ILE 38 1HG1 ILE 38 11.824 -8.928 2.506 1007 1HG2 ILE 38 1HG2 ILE 38 12.715 -5.823 4.021 1008 2HG2 ILE 38 2HG2 ILE 38 11.900 -6.392 5.475 1009 3HG2 ILE 38 3HG2 ILE 38 11.097 -5.243 4.407 1010 1HD1 ILE 38 1HD1 ILE 38 12.825 -6.235 2.043 1011 2HD1 ILE 38 2HD1 ILE 38 12.713 -7.612 0.946 1012 3HD1 ILE 38 3HD1 ILE 38 14.079 -7.473 2.051 1013 H ALA 39 H ALA 39 8.150 -7.066 3.843 1014 HA ALA 39 HA ALA 39 7.808 -5.139 5.838 1015 1HB ALA 39 1HB ALA 39 6.552 -4.730 3.949 1016 2HB ALA 39 2HB ALA 39 5.325 -5.329 5.066 1017 3HB ALA 39 3HB ALA 39 5.991 -6.398 3.832 1018 H ALA 40 H ALA 40 6.797 -8.492 5.666 1019 HA ALA 40 HA ALA 40 4.994 -8.464 7.828 1020 1HB ALA 40 1HB ALA 40 5.416 -10.251 5.986 1021 2HB ALA 40 2HB ALA 40 4.868 -10.749 7.586 1022 3HB ALA 40 3HB ALA 40 6.571 -10.903 7.149 1023 H HIS 41 H HIS 41 8.435 -9.368 7.679 1024 HA HIS 41 HA HIS 41 8.708 -10.115 10.368 1025 1HB HIS 41 2HB HIS 41 10.937 -8.866 8.783 1026 2HB HIS 41 1HB HIS 41 11.031 -10.132 10.004 1027 HD1 HIS 41 1HD HIS 41 9.223 -12.259 9.052 1028 HD2 HIS 41 2HD HIS 41 11.528 -10.006 6.434 1029 HE1 HIS 41 1HE HIS 41 9.367 -13.623 6.945 1030 HE2 HIS 41 2HE HIS 41 10.607 -12.153 5.319 1031 H ILE 42 H ILE 42 9.501 -7.024 8.796 1032 HA ILE 42 HA ILE 42 10.413 -5.657 11.031 1033 HB ILE 42 HB ILE 42 8.908 -4.511 8.675 1034 1HG1 ILE 42 2HG1 ILE 42 11.873 -4.898 9.127 1035 2HG1 ILE 42 1HG1 ILE 42 10.874 -5.817 8.005 1036 1HG2 ILE 42 1HG2 ILE 42 10.160 -2.436 9.223 1037 2HG2 ILE 42 2HG2 ILE 42 10.699 -3.207 10.715 1038 3HG2 ILE 42 3HG2 ILE 42 8.983 -2.900 10.451 1039 1HD1 ILE 42 1HD1 ILE 42 10.412 -3.213 7.264 1040 2HD1 ILE 42 2HD1 ILE 42 11.515 -4.340 6.477 1041 3HD1 ILE 42 3HD1 ILE 42 12.121 -3.218 7.695 1042 H LYS 43 H LYS 43 7.104 -5.887 9.760 1043 HA LYS 43 HA LYS 43 5.879 -4.128 11.535 1044 1HB LYS 43 2HB LYS 43 4.742 -4.936 9.564 1045 2HB LYS 43 1HB LYS 43 4.770 -6.584 10.174 1046 1HG LYS 43 2HG LYS 43 3.242 -6.017 11.935 1047 2HG LYS 43 1HG LYS 43 3.303 -4.309 11.492 1048 1HD LYS 43 2HD LYS 43 2.285 -4.807 9.345 1049 2HD LYS 43 1HD LYS 43 2.292 -6.530 9.721 1050 1HE LYS 43 2HE LYS 43 0.756 -6.169 11.556 1051 2HE LYS 43 1HE LYS 43 0.798 -4.429 11.284 1052 1HZ LYS 43 1HZ LYS 43 -0.976 -6.192 10.190 1053 2HZ LYS 43 2HZ LYS 43 0.094 -5.874 8.920 1054 3HZ LYS 43 3HZ LYS 43 -0.714 -4.600 9.683 1055 H LYS 44 H LYS 44 6.149 -7.686 11.825 1056 HA LYS 44 HA LYS 44 4.837 -7.929 14.261 1057 1HB LYS 44 2HB LYS 44 7.095 -9.600 13.156 1058 2HB LYS 44 1HB LYS 44 6.121 -10.047 14.551 1059 1HG LYS 44 2HG LYS 44 4.106 -9.926 13.062 1060 2HG LYS 44 1HG LYS 44 5.213 -9.739 11.702 1061 1HD LYS 44 2HD LYS 44 5.155 -12.068 13.623 1062 2HD LYS 44 1HD LYS 44 4.515 -12.070 11.978 1063 1HE LYS 44 2HE LYS 44 7.397 -11.616 12.743 1064 2HE LYS 44 1HE LYS 44 6.730 -13.120 12.110 1065 1HZ LYS 44 1HZ LYS 44 6.811 -10.514 10.692 1066 2HZ LYS 44 2HZ LYS 44 6.122 -11.933 10.080 1067 3HZ LYS 44 3HZ LYS 44 7.788 -11.856 10.364 1068 H GLU 45 H GLU 45 8.290 -7.340 13.665 1069 HA GLU 45 HA GLU 45 9.174 -7.511 16.302 1070 1HB GLU 45 2HB GLU 45 10.192 -5.734 14.078 1071 2HB GLU 45 1HB GLU 45 11.052 -6.056 15.577 1072 1HG GLU 45 2HG GLU 45 10.285 -8.126 13.532 1073 2HG GLU 45 1HG GLU 45 11.881 -7.399 13.704 1074 H PHE 46 H PHE 46 7.997 -4.658 14.519 1075 HA PHE 46 HA PHE 46 8.320 -2.860 16.668 1076 1HB PHE 46 2HB PHE 46 6.676 -2.779 14.155 1077 2HB PHE 46 1HB PHE 46 6.589 -1.485 15.348 1078 HD1 PHE 46 1HD PHE 46 9.130 -0.859 16.202 1079 HD2 PHE 46 2HD PHE 46 8.000 -2.267 12.353 1080 HE1 PHE 46 1HE PHE 46 11.126 0.199 15.239 1081 HE2 PHE 46 2HE PHE 46 10.000 -1.211 11.380 1082 HZ PHE 46 HZ PHE 46 11.569 0.018 12.822 1083 H ASP 47 H ASP 47 5.536 -4.760 15.596 1084 HA ASP 47 HA ASP 47 3.618 -3.723 17.324 1085 1HB ASP 47 2HB ASP 47 3.890 -6.589 16.388 1086 2HB ASP 47 1HB ASP 47 2.432 -5.860 17.052 1087 H LYS 48 H LYS 48 6.091 -6.145 17.864 1088 HA LYS 48 HA LYS 48 5.178 -6.956 20.439 1089 1HB LYS 48 2HB LYS 48 6.847 -8.057 18.687 1090 2HB LYS 48 1HB LYS 48 8.042 -7.211 19.659 1091 1HG LYS 48 2HG LYS 48 6.084 -9.293 20.589 1092 2HG LYS 48 1HG LYS 48 7.837 -9.447 20.463 1093 1HD LYS 48 2HD LYS 48 8.129 -7.774 22.202 1094 2HD LYS 48 1HD LYS 48 6.383 -7.537 22.288 1095 1HE LYS 48 2HE LYS 48 7.116 -8.959 24.101 1096 2HE LYS 48 1HE LYS 48 6.107 -9.867 22.978 1097 1HZ LYS 48 1HZ LYS 48 8.674 -10.207 22.067 1098 2HZ LYS 48 2HZ LYS 48 7.745 -11.342 22.908 1099 3HZ LYS 48 3HZ LYS 48 8.807 -10.330 23.749 1100 H LYS 49 H LYS 49 7.566 -4.630 19.284 1101 HA LYS 49 HA LYS 49 8.458 -3.949 21.935 1102 1HB LYS 49 2HB LYS 49 9.030 -2.640 19.282 1103 2HB LYS 49 1HB LYS 49 9.851 -2.281 20.795 1104 1HG LYS 49 2HG LYS 49 10.711 -4.561 20.881 1105 2HG LYS 49 1HG LYS 49 9.876 -4.935 19.372 1106 1HD LYS 49 2HD LYS 49 11.201 -3.217 18.225 1107 2HD LYS 49 1HD LYS 49 12.043 -2.866 19.735 1108 1HE LYS 49 2HE LYS 49 13.380 -4.319 18.307 1109 2HE LYS 49 1HE LYS 49 12.906 -5.150 19.789 1110 1HZ LYS 49 1HZ LYS 49 11.632 -6.608 18.668 1111 2HZ LYS 49 2HZ LYS 49 12.635 -6.204 17.368 1112 3HZ LYS 49 3HZ LYS 49 11.117 -5.474 17.523 1113 H TYR 50 H TYR 50 7.026 -1.962 19.369 1114 HA TYR 50 HA TYR 50 6.245 -0.006 21.353 1115 1HB TYR 50 2HB TYR 50 5.936 0.111 18.358 1116 2HB TYR 50 1HB TYR 50 5.806 1.459 19.490 1117 HD1 TYR 50 1HD TYR 50 8.041 1.085 21.273 1118 HD2 TYR 50 2HD TYR 50 7.854 0.475 17.071 1119 HE1 TYR 50 1HE TYR 50 10.462 1.442 21.122 1120 HE2 TYR 50 2HE TYR 50 10.278 0.842 16.905 1121 HH TYR 50 HH TYR 50 12.051 2.140 18.368 1122 H ASN 51 H ASN 51 4.715 -2.578 19.701 1123 HA ASN 51 HA ASN 51 2.600 -3.406 20.175 1124 1HB ASN 51 2HB ASN 51 1.779 -0.620 21.018 1125 2HB ASN 51 1HB ASN 51 0.871 -2.110 21.244 1126 1HD2 ASN 51 1HD2 ASN 51 2.701 0.075 22.792 1127 2HD2 ASN 51 2HD2 ASN 51 3.323 -0.900 24.076 1128 HA PRO 52 HA PRO 52 1.090 -2.741 16.135 1129 1HB PRO 52 2HB PRO 52 -1.594 -3.360 17.274 1130 2HB PRO 52 1HB PRO 52 -0.763 -4.092 15.897 1131 1HG PRO 52 2HG PRO 52 -0.935 -5.366 18.235 1132 2HG PRO 52 1HG PRO 52 0.528 -5.466 17.237 1133 1HD PRO 52 2HD PRO 52 0.036 -3.913 19.733 1134 2HD PRO 52 1HD PRO 52 1.523 -4.696 19.161 1135 H THR 53 H THR 53 -1.190 -0.013 15.595 1136 HA THR 53 HA THR 53 -0.180 -2.644 14.765 1137 HB THR 53 HB THR 53 -2.632 -2.505 14.815 1138 HG1 THR 53 1HG THR 53 -2.948 -3.130 12.616 1139 1HG2 THR 53 1HG2 THR 53 -3.104 -0.916 12.513 1140 2HG2 THR 53 2HG2 THR 53 -2.258 0.057 13.715 1141 3HG2 THR 53 3HG2 THR 53 -3.768 -0.748 14.135 1142 H TRP 54 H TRP 54 1.594 -2.385 13.621 1143 HA TRP 54 HA TRP 54 2.045 0.000 12.049 1144 1HB TRP 54 2HB TRP 54 3.793 -2.426 12.454 1145 2HB TRP 54 1HB TRP 54 4.282 -0.918 11.685 1146 HD1 TRP 54 HD TRP 54 2.762 -1.923 15.117 1147 HE1 TRP 54 1HE TRP 54 3.915 -0.516 16.927 1148 HE3 TRP 54 3HE TRP 54 5.832 0.849 12.120 1149 HZ2 TRP 54 2HZ TRP 54 5.893 1.518 17.063 1150 HZ3 TRP 54 3HZ TRP 54 7.323 2.507 13.169 1151 HH2 TRP 54 HH TRP 54 7.345 2.834 15.588 1152 H HIS 55 H HIS 55 1.424 0.196 10.042 1153 HA HIS 55 HA HIS 55 0.875 -2.173 8.426 1154 1HB HIS 55 2HB HIS 55 0.497 0.720 7.632 1155 2HB HIS 55 1HB HIS 55 -0.270 -0.702 6.930 1156 HD1 HIS 55 1HD HIS 55 -1.563 -2.093 9.183 1157 HD2 HIS 55 2HD HIS 55 -1.380 2.051 9.025 1158 HE1 HIS 55 1HE HIS 55 -3.454 -1.287 10.621 1159 HE2 HIS 55 2HE HIS 55 -3.373 1.226 10.454 1160 H CYS 56 H CYS 56 2.193 -2.805 6.734 1161 HA CYS 56 HA CYS 56 4.385 -0.957 6.050 1162 1HB CYS 56 2HB CYS 56 5.167 -2.706 7.633 1163 2HB CYS 56 1HB CYS 56 4.723 -3.930 6.448 1164 HG CYS 56 HG CYS 56 7.346 -2.851 6.498 1165 H ILE 57 H ILE 57 5.275 -1.112 4.017 1166 HA ILE 57 HA ILE 57 4.094 -2.911 2.063 1167 HB ILE 57 HB ILE 57 3.994 0.087 1.701 1168 1HG1 ILE 57 2HG1 ILE 57 1.755 -1.905 2.127 1169 2HG1 ILE 57 1HG1 ILE 57 2.285 -0.689 3.283 1170 1HG2 ILE 57 1HG2 ILE 57 4.216 -0.627 -0.440 1171 2HG2 ILE 57 2HG2 ILE 57 2.476 -0.852 -0.272 1172 3HG2 ILE 57 3HG2 ILE 57 3.566 -2.227 -0.097 1173 1HD1 ILE 57 1HD1 ILE 57 0.650 -0.405 0.841 1174 2HD1 ILE 57 2HD1 ILE 57 1.747 0.917 1.240 1175 3HD1 ILE 57 3HD1 ILE 57 0.519 0.409 2.400 1176 H VAL 58 H VAL 58 5.365 -3.111 0.161 1177 HA VAL 58 HA VAL 58 7.772 -1.543 -0.130 1178 HB VAL 58 HB VAL 58 8.017 -4.509 0.399 1179 1HG1 VAL 58 1HG1 VAL 58 10.274 -2.547 0.196 1180 2HG1 VAL 58 2HG1 VAL 58 9.616 -3.337 -1.237 1181 3HG1 VAL 58 3HG1 VAL 58 10.315 -4.304 0.061 1182 1HG2 VAL 58 1HG2 VAL 58 7.567 -3.428 2.481 1183 2HG2 VAL 58 2HG2 VAL 58 8.715 -2.138 2.121 1184 3HG2 VAL 58 3HG2 VAL 58 9.296 -3.776 2.419 1185 H GLY 59 H GLY 59 8.511 -1.536 -2.194 1186 1HA GLY 59 2HA GLY 59 8.191 -3.570 -4.093 1187 2HA GLY 59 1HA GLY 59 6.837 -2.459 -4.259 1188 H ARG 60 H ARG 60 7.271 -1.365 -6.094 1189 HA ARG 60 HA ARG 60 9.235 0.649 -6.098 1190 1HB ARG 60 2HB ARG 60 10.742 -0.174 -7.851 1191 2HB ARG 60 1HB ARG 60 10.812 -1.178 -6.411 1192 1HG ARG 60 2HG ARG 60 9.373 -2.830 -7.485 1193 2HG ARG 60 1HG ARG 60 9.289 -1.820 -8.929 1194 1HD ARG 60 2HD ARG 60 11.714 -2.017 -9.202 1195 2HD ARG 60 1HD ARG 60 11.794 -3.030 -7.762 1196 HE ARG 60 HE ARG 60 9.983 -4.186 -9.551 1197 1HH1 ARG 60 1HH1 ARG 60 13.401 -3.536 -9.293 1198 2HH1 ARG 60 2HH1 ARG 60 13.861 -4.889 -10.273 1199 1HH2 ARG 60 1HH2 ARG 60 10.583 -5.967 -10.838 1200 2HH2 ARG 60 2HH2 ARG 60 12.261 -6.270 -11.150 1201 H ASN 61 H ASN 61 6.438 0.247 -6.751 1202 HA ASN 61 HA ASN 61 6.016 2.019 -8.752 1203 1HB ASN 61 2HB ASN 61 7.112 0.486 -10.324 1204 2HB ASN 61 1HB ASN 61 5.975 -0.786 -9.889 1205 1HD2 ASN 61 1HD2 ASN 61 4.293 -1.012 -11.132 1206 2HD2 ASN 61 2HD2 ASN 61 3.645 0.170 -12.211 1207 H PHE 62 H PHE 62 4.447 2.382 -7.098 1208 HA PHE 62 HA PHE 62 1.874 1.369 -7.730 1209 1HB PHE 62 2HB PHE 62 1.384 0.128 -5.707 1210 2HB PHE 62 1HB PHE 62 2.785 -0.588 -6.501 1211 HD1 PHE 62 1HD PHE 62 5.099 0.391 -5.693 1212 HD2 PHE 62 2HD PHE 62 1.498 0.484 -3.439 1213 HE1 PHE 62 1HE PHE 62 6.410 0.650 -3.628 1214 HE2 PHE 62 2HE PHE 62 2.797 0.743 -1.366 1215 HZ PHE 62 HZ PHE 62 5.260 0.825 -1.458 1216 H GLY 63 H GLY 63 0.354 2.765 -7.081 1217 1HA GLY 63 2HA GLY 63 1.153 5.092 -5.552 1218 2HA GLY 63 1HA GLY 63 -0.423 4.813 -6.286 1219 H SER 64 H SER 64 0.638 5.559 -3.443 1220 HA SER 64 HA SER 64 -1.058 3.589 -2.057 1221 1HB SER 64 2HB SER 64 0.373 3.702 -0.110 1222 2HB SER 64 1HB SER 64 1.350 3.287 -1.519 1223 HG SER 64 HG SER 64 1.205 5.723 -0.112 1224 H TYR 65 H TYR 65 -2.273 4.275 -0.306 1225 HA TYR 65 HA TYR 65 -2.370 7.072 0.427 1226 1HB TYR 65 2HB TYR 65 -3.803 6.797 -1.670 1227 2HB TYR 65 1HB TYR 65 -4.867 5.794 -0.690 1228 HD1 TYR 65 1HD TYR 65 -3.180 9.121 -0.386 1229 HD2 TYR 65 2HD TYR 65 -6.746 6.855 0.115 1230 HE1 TYR 65 1HE TYR 65 -4.350 11.143 0.377 1231 HE2 TYR 65 2HE TYR 65 -7.925 8.872 0.882 1232 HH TYR 65 HH TYR 65 -6.935 11.246 2.061 1233 H VAL 66 H VAL 66 -2.666 7.088 2.579 1234 HA VAL 66 HA VAL 66 -4.540 5.291 3.871 1235 HB VAL 66 HB VAL 66 -1.602 5.144 4.557 1236 1HG1 VAL 66 1HG1 VAL 66 -4.033 3.916 5.785 1237 2HG1 VAL 66 2HG1 VAL 66 -2.724 4.802 6.560 1238 3HG1 VAL 66 3HG1 VAL 66 -2.449 3.170 5.954 1239 1HG2 VAL 66 1HG2 VAL 66 -3.388 3.181 3.137 1240 2HG2 VAL 66 2HG2 VAL 66 -1.822 2.756 3.824 1241 3HG2 VAL 66 3HG2 VAL 66 -1.922 3.945 2.525 1242 H THR 67 H THR 67 -4.670 5.693 6.224 1243 HA THR 67 HA THR 67 -3.913 8.465 6.919 1244 HB THR 67 HB THR 67 -6.254 6.801 7.901 1245 HG1 THR 67 1HG THR 67 -7.445 7.924 6.548 1246 1HG2 THR 67 1HG2 THR 67 -5.525 9.646 8.552 1247 2HG2 THR 67 2HG2 THR 67 -5.527 8.278 9.667 1248 3HG2 THR 67 3HG2 THR 67 -7.043 8.852 8.972 1249 H HIS 68 H HIS 68 -3.342 8.831 9.184 1250 HA HIS 68 HA HIS 68 -2.846 6.639 10.941 1251 1HB HIS 68 2HB HIS 68 -0.345 6.794 10.813 1252 2HB HIS 68 1HB HIS 68 -1.102 6.111 9.374 1253 HD1 HIS 68 1HD HIS 68 0.319 9.409 10.591 1254 HD2 HIS 68 2HD HIS 68 -0.526 7.414 7.047 1255 HE1 HIS 68 1HE HIS 68 1.224 10.877 8.763 1256 HE2 HIS 68 2HE HIS 68 0.819 9.587 6.638 1257 H GLU 69 H GLU 69 -2.273 7.292 12.982 1258 HA GLU 69 HA GLU 69 -2.763 9.963 13.718 1259 1HB GLU 69 2HB GLU 69 -2.079 9.291 15.956 1260 2HB GLU 69 1HB GLU 69 -3.092 8.047 15.234 1261 1HG GLU 69 2HG GLU 69 -1.137 6.717 14.715 1262 2HG GLU 69 1HG GLU 69 -0.090 7.982 15.355 1263 H THR 70 H THR 70 -1.325 11.513 14.649 1264 HA THR 70 HA THR 70 0.976 12.010 13.165 1265 HB THR 70 HB THR 70 1.473 13.758 14.835 1266 HG1 THR 70 1HG THR 70 0.110 13.948 16.633 1267 1HG2 THR 70 1HG2 THR 70 -0.040 15.011 13.838 1268 2HG2 THR 70 2HG2 THR 70 -1.298 14.325 14.866 1269 3HG2 THR 70 3HG2 THR 70 -0.908 13.564 13.324 1270 H LYS 71 H LYS 71 3.187 12.057 13.739 1271 HA LYS 71 HA LYS 71 5.127 11.192 14.536 1272 1HB LYS 71 2HB LYS 71 3.478 10.544 16.987 1273 2HB LYS 71 1HB LYS 71 5.233 10.497 16.901 1274 1HG LYS 71 2HG LYS 71 3.796 13.026 16.242 1275 2HG LYS 71 1HG LYS 71 4.013 12.553 17.926 1276 1HD LYS 71 2HD LYS 71 5.801 14.039 17.216 1277 2HD LYS 71 1HD LYS 71 6.437 12.435 17.576 1278 1HE LYS 71 2HE LYS 71 6.597 11.911 15.247 1279 2HE LYS 71 1HE LYS 71 5.755 13.395 14.801 1280 1HZ LYS 71 1HZ LYS 71 8.527 12.984 15.560 1281 2HZ LYS 71 2HZ LYS 71 7.800 14.369 16.202 1282 3HZ LYS 71 3HZ LYS 71 7.845 14.138 14.527 1283 H HIS 72 H HIS 72 3.514 9.604 12.895 1284 HA HIS 72 HA HIS 72 4.682 7.044 13.382 1285 1HB HIS 72 2HB HIS 72 1.708 7.390 13.727 1286 2HB HIS 72 1HB HIS 72 2.427 5.840 13.304 1287 HD1 HIS 72 1HD HIS 72 4.530 5.232 15.111 1288 HD2 HIS 72 2HD HIS 72 1.380 7.614 16.402 1289 HE1 HIS 72 1HE HIS 72 4.564 5.092 17.621 1290 HE2 HIS 72 2HE HIS 72 2.589 6.462 18.373 1291 H PHE 73 H PHE 73 5.475 8.062 11.340 1292 HA PHE 73 HA PHE 73 4.232 6.793 9.093 1293 1HB PHE 73 2HB PHE 73 2.834 8.770 9.143 1294 2HB PHE 73 1HB PHE 73 4.239 9.813 9.275 1295 HD1 PHE 73 1HD PHE 73 3.398 11.099 7.363 1296 HD2 PHE 73 2HD PHE 73 4.414 6.983 7.001 1297 HE1 PHE 73 1HE PHE 73 3.456 11.331 4.915 1298 HE2 PHE 73 2HE PHE 73 4.480 7.209 4.553 1299 HZ PHE 73 HZ PHE 73 3.999 9.386 3.507 1300 H ILE 74 H ILE 74 5.858 6.134 7.787 1301 HA ILE 74 HA ILE 74 8.161 7.841 7.362 1302 HB ILE 74 HB ILE 74 8.843 6.697 9.379 1303 1HG1 ILE 74 2HG1 ILE 74 10.221 5.544 6.941 1304 2HG1 ILE 74 1HG1 ILE 74 10.565 7.109 7.674 1305 1HG2 ILE 74 1HG2 ILE 74 7.468 4.776 9.407 1306 2HG2 ILE 74 2HG2 ILE 74 9.131 4.195 9.320 1307 3HG2 ILE 74 3HG2 ILE 74 8.120 4.198 7.875 1308 1HD1 ILE 74 1HD1 ILE 74 12.234 5.851 8.567 1309 2HD1 ILE 74 2HD1 ILE 74 11.263 4.379 8.602 1310 3HD1 ILE 74 3HD1 ILE 74 10.997 5.641 9.804 1311 H TYR 75 H TYR 75 9.029 7.594 5.418 1312 HA TYR 75 HA TYR 75 8.575 5.133 3.894 1313 1HB TYR 75 2HB TYR 75 6.785 6.697 3.233 1314 2HB TYR 75 1HB TYR 75 7.994 7.917 2.845 1315 HD1 TYR 75 1HD TYR 75 9.834 7.081 1.092 1316 HD2 TYR 75 2HD TYR 75 5.934 5.431 1.513 1317 HE1 TYR 75 1HE TYR 75 9.966 6.202 -1.198 1318 HE2 TYR 75 2HE TYR 75 6.057 4.548 -0.778 1319 HH TYR 75 HH TYR 75 8.465 5.497 -2.988 1320 H PHE 76 H PHE 76 10.312 4.581 2.600 1321 HA PHE 76 HA PHE 76 12.296 6.485 1.824 1322 1HB PHE 76 2HB PHE 76 14.143 5.533 3.196 1323 2HB PHE 76 1HB PHE 76 12.919 6.361 4.152 1324 HD1 PHE 76 1HD PHE 76 10.921 4.652 4.890 1325 HD2 PHE 76 2HD PHE 76 14.962 3.607 4.086 1326 HE1 PHE 76 1HE PHE 76 10.673 2.642 6.280 1327 HE2 PHE 76 2HE PHE 76 14.724 1.593 5.474 1328 HZ PHE 76 HZ PHE 76 12.575 1.107 6.574 1329 H TYR 77 H TYR 77 13.566 5.765 0.220 1330 HA TYR 77 HA TYR 77 12.998 3.195 -0.942 1331 1HB TYR 77 2HB TYR 77 14.705 5.535 -1.739 1332 2HB TYR 77 1HB TYR 77 14.827 4.005 -2.597 1333 HD1 TYR 77 1HD TYR 77 12.537 3.024 -3.450 1334 HD2 TYR 77 2HD TYR 77 13.191 7.117 -2.486 1335 HE1 TYR 77 1HE TYR 77 10.629 3.655 -4.869 1336 HE2 TYR 77 2HE TYR 77 11.284 7.759 -3.899 1337 HH TYR 77 HH TYR 77 10.028 6.051 -6.184 1338 H LEU 78 H LEU 78 14.494 1.533 -1.340 1339 HA LEU 78 HA LEU 78 17.174 1.576 -0.433 1340 1HB LEU 78 2HB LEU 78 16.134 1.508 1.765 1341 2HB LEU 78 1HB LEU 78 15.186 0.113 1.300 1342 HG LEU 78 HG LEU 78 17.204 -1.247 1.144 1343 1HD1 LEU 78 1HD1 LEU 78 18.648 0.774 0.501 1344 2HD1 LEU 78 2HD1 LEU 78 19.367 -0.465 1.529 1345 3HD1 LEU 78 3HD1 LEU 78 18.798 1.046 2.236 1346 1HD2 LEU 78 1HD2 LEU 78 17.973 -0.629 3.676 1347 2HD2 LEU 78 2HD2 LEU 78 16.553 -1.591 3.264 1348 3HD2 LEU 78 3HD2 LEU 78 16.383 0.133 3.601 1349 H GLY 79 H GLY 79 18.327 -0.133 -1.233 1350 1HA GLY 79 2HA GLY 79 18.769 -1.920 -2.607 1351 2HA GLY 79 1HA GLY 79 17.411 -2.691 -1.799 1352 H GLN 80 H GLN 80 17.355 0.190 -3.825 1353 HA GLN 80 HA GLN 80 16.209 0.699 -5.713 1354 1HB GLN 80 2HB GLN 80 16.703 -2.214 -6.354 1355 2HB GLN 80 1HB GLN 80 16.193 -0.990 -7.508 1356 1HG GLN 80 2HG GLN 80 18.279 0.224 -7.150 1357 2HG GLN 80 1HG GLN 80 18.790 -0.997 -5.987 1358 1HE2 GLN 80 1HE2 GLN 80 20.190 -2.375 -6.788 1359 2HE2 GLN 80 2HE2 GLN 80 20.255 -2.939 -8.419 1360 H VAL 81 H VAL 81 14.656 0.049 -3.453 1361 HA VAL 81 HA VAL 81 12.146 -0.513 -4.753 1362 HB VAL 81 HB VAL 81 11.463 -2.312 -3.212 1363 1HG1 VAL 81 1HG1 VAL 81 12.594 -4.110 -4.329 1364 2HG1 VAL 81 2HG1 VAL 81 13.943 -3.057 -4.750 1365 3HG1 VAL 81 3HG1 VAL 81 12.359 -2.792 -5.478 1366 1HG2 VAL 81 1HG2 VAL 81 12.945 -3.418 -1.761 1367 2HG2 VAL 81 2HG2 VAL 81 13.216 -1.700 -1.474 1368 3HG2 VAL 81 3HG2 VAL 81 14.355 -2.621 -2.459 1369 H ALA 82 H ALA 82 10.495 0.516 -3.780 1370 HA ALA 82 HA ALA 82 11.054 2.393 -1.726 1371 1HB ALA 82 1HB ALA 82 8.411 2.537 -1.840 1372 2HB ALA 82 2HB ALA 82 8.678 1.634 -3.331 1373 3HB ALA 82 3HB ALA 82 9.439 3.209 -3.106 1374 H ILE 83 H ILE 83 10.501 2.434 0.409 1375 HA ILE 83 HA ILE 83 9.211 0.027 1.516 1376 HB ILE 83 HB ILE 83 11.554 1.499 2.736 1377 1HG1 ILE 83 2HG1 ILE 83 11.370 -1.277 1.543 1378 2HG1 ILE 83 1HG1 ILE 83 12.198 0.098 0.821 1379 1HG2 ILE 83 1HG2 ILE 83 11.311 -0.819 4.126 1380 2HG2 ILE 83 2HG2 ILE 83 9.619 -0.437 3.799 1381 3HG2 ILE 83 3HG2 ILE 83 10.639 0.729 4.640 1382 1HD1 ILE 83 1HD1 ILE 83 12.924 -1.238 3.416 1383 2HD1 ILE 83 2HD1 ILE 83 13.753 0.145 2.701 1384 3HD1 ILE 83 3HD1 ILE 83 13.767 -1.414 1.877 1385 H LEU 84 H LEU 84 7.613 0.400 2.955 1386 HA LEU 84 HA LEU 84 7.363 3.093 4.099 1387 1HB LEU 84 2HB LEU 84 5.905 2.992 2.147 1388 2HB LEU 84 1HB LEU 84 5.151 1.533 2.763 1389 HG LEU 84 HG LEU 84 4.270 2.814 4.681 1390 1HD1 LEU 84 1HD1 LEU 84 4.870 4.906 5.164 1391 2HD1 LEU 84 2HD1 LEU 84 4.712 5.431 3.489 1392 3HD1 LEU 84 3HD1 LEU 84 6.200 4.662 4.035 1393 1HD2 LEU 84 1HD2 LEU 84 2.600 2.703 3.160 1394 2HD2 LEU 84 2HD2 LEU 84 3.585 3.380 1.863 1395 3HD2 LEU 84 3HD2 LEU 84 2.876 4.444 3.077 1396 H LEU 85 H LEU 85 6.400 3.222 6.107 1397 HA LEU 85 HA LEU 85 5.194 0.935 7.360 1398 1HB LEU 85 2HB LEU 85 7.598 0.407 7.567 1399 2HB LEU 85 1HB LEU 85 7.849 1.930 8.400 1400 HG LEU 85 HG LEU 85 6.347 1.154 10.214 1401 1HD1 LEU 85 1HD1 LEU 85 6.397 -1.455 8.707 1402 2HD1 LEU 85 2HD1 LEU 85 4.996 -0.407 8.924 1403 3HD1 LEU 85 3HD1 LEU 85 5.725 -1.204 10.317 1404 1HD2 LEU 85 1HD2 LEU 85 8.451 0.778 10.941 1405 2HD2 LEU 85 2HD2 LEU 85 8.908 -0.111 9.488 1406 3HD2 LEU 85 3HD2 LEU 85 7.982 -0.912 10.756 1407 H PHE 86 H PHE 86 4.005 1.481 9.158 1408 HA PHE 86 HA PHE 86 4.316 3.806 10.701 1409 1HB PHE 86 2HB PHE 86 2.430 5.155 9.857 1410 2HB PHE 86 1HB PHE 86 3.711 4.999 8.659 1411 HD1 PHE 86 1HD PHE 86 3.412 3.085 6.921 1412 HD2 PHE 86 2HD PHE 86 0.253 4.708 9.261 1413 HE1 PHE 86 1HE PHE 86 1.779 2.230 5.296 1414 HE2 PHE 86 2HE PHE 86 -1.387 3.857 7.640 1415 HZ PHE 86 HZ PHE 86 -0.624 2.614 5.653 1416 H LYS 87 H LYS 87 3.244 3.461 12.548 1417 HA LYS 87 HA LYS 87 1.353 1.279 12.673 1418 1HB LYS 87 2HB LYS 87 1.570 1.397 15.037 1419 2HB LYS 87 1HB LYS 87 3.172 1.621 14.361 1420 1HG LYS 87 2HG LYS 87 3.198 3.261 15.920 1421 2HG LYS 87 1HG LYS 87 2.524 4.166 14.563 1422 1HD LYS 87 2HD LYS 87 1.186 4.654 16.471 1423 2HD LYS 87 1HD LYS 87 0.245 3.582 15.435 1424 1HE LYS 87 2HE LYS 87 0.884 1.676 16.827 1425 2HE LYS 87 1HE LYS 87 1.818 2.750 17.868 1426 1HZ LYS 87 1HZ LYS 87 -0.026 3.528 18.867 1427 2HZ LYS 87 2HZ LYS 87 -0.704 2.068 18.348 1428 3HZ LYS 87 3HZ LYS 87 -0.963 3.484 17.457 1429 H SER 88 H SER 88 -0.700 1.445 13.776 1430 HA SER 88 HA SER 88 -1.912 4.110 13.695 1431 1HB SER 88 2HB SER 88 -2.462 3.030 11.563 1432 2HB SER 88 1HB SER 88 -3.100 1.632 12.428 1433 HG SER 88 HG SER 88 -4.433 3.739 11.714 1434 H GLY 89 H GLY 89 -3.303 4.522 15.329 1435 1HA GLY 89 2HA GLY 89 -4.850 2.620 16.697 1436 2HA GLY 89 1HA GLY 89 -3.356 2.857 17.590 1437 1H MET 1 1HT MET 1 -9.544 -9.680 13.513 1438 2H MET 1 2HT MET 1 -10.039 -8.127 14.046 1439 3H MET 1 3HT MET 1 -8.535 -8.774 14.561 1440 HA MET 1 HA MET 1 -9.322 -7.808 11.907 1441 1HB MET 1 2HB MET 1 -7.010 -7.197 13.762 1442 2HB MET 1 1HB MET 1 -7.342 -6.399 12.230 1443 1HG MET 1 2HG MET 1 -9.408 -5.497 13.120 1444 2HG MET 1 1HG MET 1 -9.141 -6.344 14.643 1445 1HE MET 1 1HE MET 1 -7.906 -3.324 12.333 1446 2HE MET 1 2HE MET 1 -6.636 -4.547 12.302 1447 3HE MET 1 3HE MET 1 -6.355 -3.004 13.109 1448 H LYS 2 H LYS 2 -8.466 -8.748 10.161 1449 HA LYS 2 HA LYS 2 -6.461 -10.847 10.567 1450 1HB LYS 2 2HB LYS 2 -8.436 -10.339 8.349 1451 2HB LYS 2 1HB LYS 2 -7.127 -11.500 8.192 1452 1HG LYS 2 2HG LYS 2 -9.189 -12.608 8.805 1453 2HG LYS 2 1HG LYS 2 -8.000 -12.751 10.100 1454 1HD LYS 2 2HD LYS 2 -9.096 -10.961 11.330 1455 2HD LYS 2 1HD LYS 2 -10.255 -10.744 10.016 1456 1HE LYS 2 2HE LYS 2 -9.912 -13.227 11.696 1457 2HE LYS 2 1HE LYS 2 -11.213 -12.046 11.848 1458 1HZ LYS 2 1HZ LYS 2 -10.955 -14.229 10.031 1459 2HZ LYS 2 2HZ LYS 2 -11.244 -12.779 9.211 1460 3HZ LYS 2 3HZ LYS 2 -12.318 -13.300 10.409 1461 H ASP 3 H ASP 3 -4.487 -10.768 9.700 1462 HA ASP 3 HA ASP 3 -3.639 -8.267 8.565 1463 1HB ASP 3 2HB ASP 3 -1.368 -9.326 8.624 1464 2HB ASP 3 1HB ASP 3 -2.183 -9.260 10.183 1465 H THR 4 H THR 4 -3.594 -7.804 6.480 1466 HA THR 4 HA THR 4 -3.996 -9.873 4.507 1467 HB THR 4 HB THR 4 -5.095 -7.617 4.401 1468 HG1 THR 4 1HG THR 4 -3.927 -7.457 2.037 1469 1HG2 THR 4 1HG2 THR 4 -2.756 -6.490 4.943 1470 2HG2 THR 4 2HG2 THR 4 -4.008 -5.672 4.008 1471 3HG2 THR 4 3HG2 THR 4 -2.661 -6.460 3.182 1472 H GLY 5 H GLY 5 -2.547 -10.434 2.859 1473 1HA GLY 5 2HA GLY 5 0.104 -9.239 2.861 1474 2HA GLY 5 1HA GLY 5 0.030 -10.923 3.355 1475 H ILE 6 H ILE 6 0.784 -9.070 0.847 1476 HA ILE 6 HA ILE 6 0.489 -11.218 -1.028 1477 HB ILE 6 HB ILE 6 -0.676 -9.758 -2.748 1478 1HG1 ILE 6 2HG1 ILE 6 -2.288 -8.092 -1.648 1479 2HG1 ILE 6 1HG1 ILE 6 -1.216 -8.152 -0.255 1480 1HG2 ILE 6 1HG2 ILE 6 -2.452 -10.430 -0.427 1481 2HG2 ILE 6 2HG2 ILE 6 -1.670 -11.678 -1.399 1482 3HG2 ILE 6 3HG2 ILE 6 -2.797 -10.548 -2.154 1483 1HD1 ILE 6 1HD1 ILE 6 -1.017 -6.471 -2.436 1484 2HD1 ILE 6 2HD1 ILE 6 0.243 -7.678 -2.702 1485 3HD1 ILE 6 3HD1 ILE 6 0.213 -6.752 -1.203 1486 H GLN 7 H GLN 7 2.032 -11.179 -2.549 1487 HA GLN 7 HA GLN 7 3.783 -8.818 -2.618 1488 1HB GLN 7 2HB GLN 7 5.540 -10.408 -3.403 1489 2HB GLN 7 1HB GLN 7 4.946 -10.742 -1.783 1490 1HG GLN 7 2HG GLN 7 3.523 -12.520 -2.676 1491 2HG GLN 7 1HG GLN 7 4.140 -12.194 -4.295 1492 1HE2 GLN 7 1HE2 GLN 7 5.629 -13.565 -4.923 1493 2HE2 GLN 7 2HE2 GLN 7 6.783 -14.360 -3.912 1494 H VAL 8 H VAL 8 2.196 -7.933 -4.200 1495 HA VAL 8 HA VAL 8 1.885 -9.143 -6.752 1496 HB VAL 8 HB VAL 8 1.553 -6.230 -6.024 1497 1HG1 VAL 8 1HG1 VAL 8 1.374 -6.082 -8.267 1498 2HG1 VAL 8 2HG1 VAL 8 -0.247 -6.707 -7.971 1499 3HG1 VAL 8 3HG1 VAL 8 1.044 -7.803 -8.461 1500 1HG2 VAL 8 1HG2 VAL 8 0.016 -7.147 -4.621 1501 2HG2 VAL 8 2HG2 VAL 8 -0.152 -8.614 -5.584 1502 3HG2 VAL 8 3HG2 VAL 8 -0.950 -7.127 -6.097 1503 H ASP 9 H ASP 9 3.019 -8.916 -8.609 1504 HA ASP 9 HA ASP 9 4.925 -6.865 -9.083 1505 1HB ASP 9 1HB ASP 9 6.254 -8.135 -7.473 1506 2HB ASP 9 2HB ASP 9 6.958 -8.261 -9.083 1507 H ARG 10 H ARG 10 2.745 -7.851 -10.483 1508 HA ARG 10 HA ARG 10 3.685 -9.608 -12.581 1509 1HB ARG 10 2HB ARG 10 1.447 -9.353 -13.520 1510 2HB ARG 10 1HB ARG 10 1.356 -9.732 -11.805 1511 1HG ARG 10 2HG ARG 10 0.945 -7.379 -11.303 1512 2HG ARG 10 1HG ARG 10 1.039 -6.996 -13.021 1513 1HD ARG 10 2HD ARG 10 -0.871 -8.478 -13.443 1514 2HD ARG 10 1HD ARG 10 -0.969 -8.829 -11.718 1515 HE ARG 10 HE ARG 10 -2.125 -6.884 -11.468 1516 1HH1 ARG 10 1HH1 ARG 10 -0.258 -6.658 -14.408 1517 2HH1 ARG 10 2HH1 ARG 10 -0.856 -5.085 -14.812 1518 1HH2 ARG 10 1HH2 ARG 10 -2.917 -4.819 -12.003 1519 2HH2 ARG 10 2HH2 ARG 10 -2.364 -4.041 -13.450 1520 H ASP 11 H ASP 11 4.336 -9.042 -14.592 1521 HA ASP 11 HA ASP 11 4.864 -6.232 -15.077 1522 1HB ASP 11 2HB ASP 11 5.624 -8.676 -16.682 1523 2HB ASP 11 1HB ASP 11 6.168 -7.034 -17.012 1524 H LEU 12 H LEU 12 2.162 -6.735 -15.086 1525 HA LEU 12 HA LEU 12 0.300 -6.242 -16.283 1526 1HB LEU 12 2HB LEU 12 2.254 -5.571 -18.485 1527 2HB LEU 12 1HB LEU 12 0.535 -5.228 -18.524 1528 HG LEU 12 HG LEU 12 2.521 -4.054 -16.580 1529 1HD1 LEU 12 1HD1 LEU 12 0.966 -2.661 -18.742 1530 2HD1 LEU 12 2HD1 LEU 12 2.610 -3.257 -18.967 1531 3HD1 LEU 12 3HD1 LEU 12 2.279 -2.016 -17.759 1532 1HD2 LEU 12 1HD2 LEU 12 -0.422 -4.123 -16.657 1533 2HD2 LEU 12 2HD2 LEU 12 0.300 -2.540 -16.365 1534 3HD2 LEU 12 3HD2 LEU 12 0.676 -3.892 -15.296 1535 H ASP 13 H ASP 13 2.699 -8.327 -17.740 1536 HA ASP 13 HA ASP 13 2.534 -10.273 -18.902 1537 1HB ASP 13 2HB ASP 13 -0.296 -10.256 -17.829 1538 2HB ASP 13 1HB ASP 13 0.509 -11.643 -18.557 1539 H GLY 14 H GLY 14 2.322 -8.055 -20.455 1540 1HA GLY 14 2HA GLY 14 1.726 -7.434 -22.584 1541 2HA GLY 14 1HA GLY 14 1.067 -9.052 -22.780 1542 H LYS 15 H LYS 15 -0.944 -8.911 -23.502 1543 HA LYS 15 HA LYS 15 -2.979 -7.644 -21.968 1544 1HB LYS 15 2HB LYS 15 -1.999 -5.673 -23.139 1545 2HB LYS 15 1HB LYS 15 -2.395 -6.430 -24.676 1546 1HG LYS 15 2HG LYS 15 -4.766 -6.344 -24.121 1547 2HG LYS 15 1HG LYS 15 -4.380 -5.617 -22.562 1548 1HD LYS 15 2HD LYS 15 -3.389 -3.694 -23.707 1549 2HD LYS 15 1HD LYS 15 -3.773 -4.425 -25.267 1550 1HE LYS 15 2HE LYS 15 -5.765 -3.605 -23.156 1551 2HE LYS 15 1HE LYS 15 -5.418 -2.726 -24.645 1552 1HZ LYS 15 1HZ LYS 15 -6.907 -5.213 -24.256 1553 2HZ LYS 15 2HZ LYS 15 -6.021 -5.050 -25.687 1554 3HZ LYS 15 3HZ LYS 15 -7.218 -3.920 -25.302 1555 H SER 16 H SER 16 -2.715 -10.220 -22.663 1556 HA SER 16 HA SER 16 -5.132 -10.758 -24.065 1557 1HB SER 16 2HB SER 16 -2.543 -11.546 -25.426 1558 2HB SER 16 1HB SER 16 -4.148 -12.097 -25.906 1559 HG SER 16 HG SER 16 -4.617 -9.744 -26.086 1560 H HIS 17 H HIS 17 -2.031 -12.068 -22.963 1561 HA HIS 17 HA HIS 17 -2.934 -14.713 -22.559 1562 1HB HIS 17 2HB HIS 17 -0.632 -13.202 -21.314 1563 2HB HIS 17 1HB HIS 17 -0.904 -14.929 -21.106 1564 HD1 HIS 17 1HD HIS 17 -0.597 -12.570 -24.095 1565 HD2 HIS 17 2HD HIS 17 0.587 -16.348 -22.836 1566 HE1 HIS 17 1HE HIS 17 0.795 -13.497 -25.970 1567 HE2 HIS 17 2HE HIS 17 1.431 -15.817 -25.221 1568 H LYS 18 H LYS 18 -2.582 -11.964 -20.333 1569 HA LYS 18 HA LYS 18 -3.431 -13.289 -18.017 1570 1HB LYS 18 2HB LYS 18 -2.284 -11.138 -17.945 1571 2HB LYS 18 1HB LYS 18 -3.638 -10.366 -18.761 1572 1HG LYS 18 2HG LYS 18 -5.073 -10.875 -16.851 1573 2HG LYS 18 1HG LYS 18 -3.705 -11.632 -16.032 1574 1HD LYS 18 2HD LYS 18 -2.507 -9.504 -16.053 1575 2HD LYS 18 1HD LYS 18 -3.857 -8.745 -16.898 1576 1HE LYS 18 2HE LYS 18 -5.315 -9.229 -14.990 1577 2HE LYS 18 1HE LYS 18 -3.959 -9.977 -14.146 1578 1HZ LYS 18 1HZ LYS 18 -3.369 -7.324 -15.054 1579 2HZ LYS 18 2HZ LYS 18 -3.196 -8.000 -13.513 1580 3HZ LYS 18 3HZ LYS 18 -4.686 -7.360 -13.993 1581 1H MET 1 1HT MET 1 -4.931 11.519 13.417 1582 2H MET 1 2HT MET 1 -3.374 11.556 12.697 1583 3H MET 1 3HT MET 1 -4.676 10.781 11.891 1584 HA MET 1 HA MET 1 -5.732 12.749 11.428 1585 1HB MET 1 2HB MET 1 -5.362 13.659 13.724 1586 2HB MET 1 1HB MET 1 -3.723 14.088 13.254 1587 1HG MET 1 2HG MET 1 -4.595 15.616 11.569 1588 2HG MET 1 1HG MET 1 -6.242 15.164 12.002 1589 1HE MET 1 1HE MET 1 -3.207 15.633 14.428 1590 2HE MET 1 2HE MET 1 -3.374 17.325 14.901 1591 3HE MET 1 3HE MET 1 -2.929 16.912 13.244 1592 H LYS 2 H LYS 2 -3.851 11.253 10.088 1593 HA LYS 2 HA LYS 2 -2.691 13.229 8.355 1594 1HB LYS 2 2HB LYS 2 -0.914 11.330 9.885 1595 2HB LYS 2 1HB LYS 2 -0.396 12.218 8.460 1596 1HG LYS 2 2HG LYS 2 -1.321 13.442 11.051 1597 2HG LYS 2 1HG LYS 2 0.352 13.284 10.518 1598 1HD LYS 2 2HD LYS 2 -0.109 14.711 8.598 1599 2HD LYS 2 1HD LYS 2 -1.797 14.850 9.088 1600 1HE LYS 2 2HE LYS 2 0.588 15.791 10.677 1601 2HE LYS 2 1HE LYS 2 -0.499 16.820 9.745 1602 1HZ LYS 2 1HZ LYS 2 -1.040 16.813 12.110 1603 2HZ LYS 2 2HZ LYS 2 -1.298 15.143 12.062 1604 3HZ LYS 2 3HZ LYS 2 -2.309 16.180 11.190 1605 H ASP 3 H ASP 3 -2.532 12.531 6.303 1606 HA ASP 3 HA ASP 3 -3.087 9.685 5.871 1607 1HB ASP 3 2HB ASP 3 -4.980 11.118 5.248 1608 2HB ASP 3 1HB ASP 3 -3.938 12.015 4.149 1609 H THR 4 H THR 4 -1.430 8.627 5.069 1610 HA THR 4 HA THR 4 0.755 9.927 3.758 1611 HB THR 4 HB THR 4 0.099 7.039 4.243 1612 HG1 THR 4 1HG THR 4 1.574 7.202 5.865 1613 1HG2 THR 4 1HG2 THR 4 2.474 8.244 2.897 1614 2HG2 THR 4 2HG2 THR 4 1.522 6.834 2.431 1615 3HG2 THR 4 3HG2 THR 4 2.612 6.745 3.815 1616 H GLY 5 H GLY 5 1.281 9.907 1.591 1617 1HA GLY 5 2HA GLY 5 -0.257 8.336 -0.283 1618 2HA GLY 5 1HA GLY 5 -0.600 10.059 -0.348 1619 H ILE 6 H ILE 6 0.986 7.815 -1.948 1620 HA ILE 6 HA ILE 6 2.813 9.685 -3.133 1621 HB ILE 6 HB ILE 6 4.831 8.235 -2.820 1622 1HG1 ILE 6 2HG1 ILE 6 4.763 6.793 -0.716 1623 2HG1 ILE 6 1HG1 ILE 6 3.009 6.895 -0.826 1624 1HG2 ILE 6 1HG2 ILE 6 5.504 9.294 -0.879 1625 2HG2 ILE 6 2HG2 ILE 6 3.905 9.185 -0.140 1626 3HG2 ILE 6 3HG2 ILE 6 4.197 10.328 -1.454 1627 1HD1 ILE 6 1HD1 ILE 6 4.296 6.077 -3.310 1628 2HD1 ILE 6 2HD1 ILE 6 2.919 5.382 -2.460 1629 3HD1 ILE 6 3HD1 ILE 6 4.559 4.971 -1.963 1630 H GLN 7 H GLN 7 3.557 9.058 -5.147 1631 HA GLN 7 HA GLN 7 2.250 6.668 -6.247 1632 1HB GLN 7 2HB GLN 7 1.653 8.790 -7.322 1633 2HB GLN 7 1HB GLN 7 3.349 9.114 -7.649 1634 1HG GLN 7 2HG GLN 7 3.442 7.153 -9.105 1635 2HG GLN 7 1HG GLN 7 1.739 6.835 -8.779 1636 1HE2 GLN 7 1HE2 GLN 7 3.782 8.087 -10.975 1637 2HE2 GLN 7 2HE2 GLN 7 2.731 9.204 -11.771 1638 H VAL 8 H VAL 8 3.824 5.161 -5.577 1639 HA VAL 8 HA VAL 8 6.594 5.487 -6.112 1640 HB VAL 8 HB VAL 8 5.052 2.941 -5.581 1641 1HG1 VAL 8 1HG1 VAL 8 7.185 1.950 -5.006 1642 2HG1 VAL 8 2HG1 VAL 8 8.015 3.462 -5.370 1643 3HG1 VAL 8 3HG1 VAL 8 7.234 2.552 -6.662 1644 1HG2 VAL 8 1HG2 VAL 8 4.808 3.795 -3.541 1645 2HG2 VAL 8 2HG2 VAL 8 5.930 5.116 -3.869 1646 3HG2 VAL 8 3HG2 VAL 8 6.543 3.546 -3.348 1647 H ASP 9 H ASP 9 7.856 4.760 -7.741 1648 HA ASP 9 HA ASP 9 7.012 3.005 -9.809 1649 1HB ASP 9 2HB ASP 9 6.988 4.627 -11.664 1650 2HB ASP 9 1HB ASP 9 5.695 4.949 -10.513 1651 H ARG 10 H ARG 10 9.200 3.309 -8.015 1652 HA ARG 10 HA ARG 10 11.476 3.415 -7.894 1653 1HB ARG 10 2HB ARG 10 12.626 2.174 -9.699 1654 2HB ARG 10 1HB ARG 10 11.214 1.333 -9.079 1655 1HG ARG 10 2HG ARG 10 9.922 2.067 -11.018 1656 2HG ARG 10 1HG ARG 10 11.341 2.914 -11.638 1657 1HD ARG 10 2HD ARG 10 12.551 0.797 -11.760 1658 2HD ARG 10 1HD ARG 10 11.144 -0.050 -11.121 1659 HE ARG 10 HE ARG 10 10.362 1.356 -13.411 1660 1HH1 ARG 10 1HH1 ARG 10 12.398 -1.338 -12.529 1661 2HH1 ARG 10 2HH1 ARG 10 12.197 -2.148 -14.046 1662 1HH2 ARG 10 1HH2 ARG 10 10.097 0.292 -15.407 1663 2HH2 ARG 10 2HH2 ARG 10 10.891 -1.222 -15.680 1664 H ASP 11 H ASP 11 10.689 5.898 -8.359 1665 HA ASP 11 HA ASP 11 11.872 7.021 -10.723 1666 1HB ASP 11 2HB ASP 11 11.281 9.195 -9.701 1667 2HB ASP 11 1HB ASP 11 9.918 8.082 -9.749 1668 H LEU 12 H LEU 12 13.830 5.559 -9.429 1669 HA LEU 12 HA LEU 12 15.506 7.499 -8.048 1670 1HB LEU 12 2HB LEU 12 16.898 5.696 -7.379 1671 2HB LEU 12 1HB LEU 12 15.236 5.214 -7.097 1672 HG LEU 12 HG LEU 12 16.723 4.420 -9.571 1673 1HD1 LEU 12 1HD1 LEU 12 17.637 3.706 -7.152 1674 2HD1 LEU 12 2HD1 LEU 12 17.712 2.650 -8.563 1675 3HD1 LEU 12 3HD1 LEU 12 16.412 2.460 -7.386 1676 1HD2 LEU 12 1HD2 LEU 12 14.974 2.440 -9.032 1677 2HD2 LEU 12 2HD2 LEU 12 14.603 3.828 -10.056 1678 3HD2 LEU 12 3HD2 LEU 12 14.107 3.823 -8.364 1679 H ASP 13 H ASP 13 14.960 7.887 -10.796 1680 HA ASP 13 HA ASP 13 17.021 6.929 -12.463 1681 1HB ASP 13 2HB ASP 13 15.321 9.417 -12.729 1682 2HB ASP 13 1HB ASP 13 16.306 8.716 -14.010 1683 H GLY 14 H GLY 14 19.051 7.579 -12.787 1684 1HA GLY 14 2HA GLY 14 20.192 9.572 -11.047 1685 2HA GLY 14 1HA GLY 14 21.053 8.607 -12.239 1686 H LYS 15 H LYS 15 18.465 11.069 -12.324 1687 HA LYS 15 HA LYS 15 18.238 12.989 -13.517 1688 1HB LYS 15 2HB LYS 15 21.232 12.765 -13.884 1689 2HB LYS 15 1HB LYS 15 20.265 14.184 -14.251 1690 1HG LYS 15 2HG LYS 15 19.653 14.379 -11.893 1691 2HG LYS 15 1HG LYS 15 20.634 12.959 -11.525 1692 1HD LYS 15 2HD LYS 15 21.645 15.553 -12.689 1693 2HD LYS 15 1HD LYS 15 21.830 15.031 -11.013 1694 1HE LYS 15 2HE LYS 15 22.956 13.644 -13.444 1695 2HE LYS 15 1HE LYS 15 23.866 14.623 -12.296 1696 1HZ LYS 15 1HZ LYS 15 24.253 12.624 -11.369 1697 2HZ LYS 15 2HZ LYS 15 22.876 11.905 -12.037 1698 3HZ LYS 15 3HZ LYS 15 22.740 12.867 -10.652 1699 H SER 16 H SER 16 17.635 10.643 -14.785 1700 HA SER 16 HA SER 16 17.545 11.388 -17.478 1701 1HB SER 16 2HB SER 16 19.017 9.677 -18.488 1702 2HB SER 16 1HB SER 16 19.931 10.835 -17.523 1703 HG SER 16 HG SER 16 19.452 8.135 -17.088 1704 H HIS 17 H HIS 17 15.879 10.342 -18.397 1705 HA HIS 17 HA HIS 17 14.176 8.693 -17.013 1706 1HB HIS 17 2HB HIS 17 13.107 8.176 -19.135 1707 2HB HIS 17 1HB HIS 17 13.582 9.869 -19.101 1708 HD1 HIS 17 1HD HIS 17 16.177 10.150 -20.256 1709 HD2 HIS 17 2HD HIS 17 13.704 7.052 -21.501 1710 HE1 HIS 17 1HE HIS 17 17.060 9.446 -22.502 1711 HE2 HIS 17 2HE HIS 17 15.486 7.642 -23.281 1712 H LYS 18 H LYS 18 13.988 6.567 -16.594 1713 HA LYS 18 HA LYS 18 16.194 4.866 -16.779 1714 1HB LYS 18 2HB LYS 18 14.478 4.567 -15.091 1715 2HB LYS 18 1HB LYS 18 13.270 4.249 -16.328 1716 1HG LYS 18 2HG LYS 18 13.965 2.198 -15.270 1717 2HG LYS 18 1HG LYS 18 14.458 2.217 -16.963 1718 1HD LYS 18 2HD LYS 18 16.722 2.858 -16.297 1719 2HD LYS 18 1HD LYS 18 16.229 2.851 -14.603 1720 1HE LYS 18 2HE LYS 18 15.703 0.466 -14.772 1721 2HE LYS 18 1HE LYS 18 16.201 0.476 -16.463 1722 1HZ LYS 18 1HZ LYS 18 18.421 1.304 -15.579 1723 2HZ LYS 18 2HZ LYS 18 18.041 -0.320 -15.300 1724 3HZ LYS 18 3HZ LYS 18 17.880 0.811 -14.054 Start of MODEL 15 1 1H MET 1 1HT MET 1 -18.060 -2.209 -25.465 2 2H MET 1 2HT MET 1 -19.280 -3.233 -24.827 3 3H MET 1 3HT MET 1 -17.719 -3.861 -25.163 4 HA MET 1 HA MET 1 -17.734 -3.598 -22.910 5 1HB MET 1 2HB MET 1 -16.559 -1.095 -24.140 6 2HB MET 1 1HB MET 1 -16.151 -1.732 -22.552 7 1HG MET 1 2HG MET 1 -15.673 -3.109 -25.184 8 2HG MET 1 1HG MET 1 -14.458 -2.295 -24.199 9 1HE MET 1 1HE MET 1 -12.912 -4.512 -24.196 10 2HE MET 1 2HE MET 1 -14.120 -5.221 -25.267 11 3HE MET 1 3HE MET 1 -13.565 -6.112 -23.850 12 H CYS 2 H CYS 2 -18.734 -2.864 -21.121 13 HA CYS 2 HA CYS 2 -19.741 -0.278 -20.729 14 1HB CYS 2 2HB CYS 2 -21.362 -0.960 -22.476 15 2HB CYS 2 1HB CYS 2 -21.864 -2.308 -21.462 16 HG CYS 2 HG CYS 2 -22.360 0.040 -19.816 17 H ASP 3 H ASP 3 -18.244 -2.024 -19.227 18 HA ASP 3 HA ASP 3 -19.480 -1.922 -16.731 19 1HB ASP 3 2HB ASP 3 -19.811 -4.345 -16.281 20 2HB ASP 3 1HB ASP 3 -20.926 -3.713 -17.488 21 H ARG 4 H ARG 4 -17.948 -2.047 -15.191 22 HA ARG 4 HA ARG 4 -15.248 -2.200 -15.850 23 1HB ARG 4 2HB ARG 4 -14.780 -2.097 -13.513 24 2HB ARG 4 1HB ARG 4 -16.218 -1.129 -13.796 25 1HG ARG 4 2HG ARG 4 -16.173 -3.933 -12.694 26 2HG ARG 4 1HG ARG 4 -16.401 -2.455 -11.759 27 1HD ARG 4 2HD ARG 4 -18.440 -1.987 -13.093 28 2HD ARG 4 1HD ARG 4 -18.224 -3.536 -13.907 29 HE ARG 4 HE ARG 4 -19.202 -4.525 -12.114 30 1HH1 ARG 4 1HH1 ARG 4 -17.886 -1.468 -11.062 31 2HH1 ARG 4 2HH1 ARG 4 -18.450 -1.645 -9.433 32 1HH2 ARG 4 1HH2 ARG 4 -19.948 -4.755 -9.977 33 2HH2 ARG 4 2HH2 ARG 4 -19.620 -3.510 -8.818 34 H LYS 5 H LYS 5 -13.900 -3.829 -16.202 35 HA LYS 5 HA LYS 5 -14.841 -6.550 -15.793 36 1HB LYS 5 2HB LYS 5 -13.214 -7.251 -17.320 37 2HB LYS 5 1HB LYS 5 -13.784 -5.719 -17.956 38 1HG LYS 5 2HG LYS 5 -11.252 -6.104 -16.374 39 2HG LYS 5 1HG LYS 5 -11.348 -5.978 -18.128 40 1HD LYS 5 2HD LYS 5 -12.145 -3.857 -16.140 41 2HD LYS 5 1HD LYS 5 -10.691 -3.857 -17.137 42 1HE LYS 5 2HE LYS 5 -13.531 -3.769 -18.148 43 2HE LYS 5 1HE LYS 5 -12.412 -2.408 -18.087 44 1HZ LYS 5 1HZ LYS 5 -12.456 -3.313 -20.291 45 2HZ LYS 5 2HZ LYS 5 -12.114 -4.869 -19.723 46 3HZ LYS 5 3HZ LYS 5 -10.947 -3.651 -19.604 47 H ALA 6 H ALA 6 -13.874 -4.784 -13.592 48 HA ALA 6 HA ALA 6 -11.366 -5.553 -12.660 49 1HB ALA 6 1HB ALA 6 -13.405 -5.133 -10.590 50 2HB ALA 6 2HB ALA 6 -13.276 -3.849 -11.790 51 3HB ALA 6 3HB ALA 6 -11.862 -4.322 -10.848 52 H VAL 7 H VAL 7 -10.594 -7.437 -11.915 53 HA VAL 7 HA VAL 7 -12.487 -9.565 -11.287 54 HB VAL 7 HB VAL 7 -10.553 -11.059 -11.511 55 1HG1 VAL 7 1HG1 VAL 7 -11.603 -9.368 -13.679 56 2HG1 VAL 7 2HG1 VAL 7 -11.620 -11.123 -13.500 57 3HG1 VAL 7 3HG1 VAL 7 -10.160 -10.308 -14.063 58 1HG2 VAL 7 1HG2 VAL 7 -9.058 -8.635 -12.475 59 2HG2 VAL 7 2HG2 VAL 7 -8.445 -10.283 -12.353 60 3HG2 VAL 7 3HG2 VAL 7 -8.836 -9.378 -10.891 61 H ILE 8 H ILE 8 -12.540 -10.588 -9.368 62 HA ILE 8 HA ILE 8 -11.344 -9.274 -7.107 63 HB ILE 8 HB ILE 8 -13.107 -11.715 -7.308 64 1HG1 ILE 8 2HG1 ILE 8 -14.772 -10.226 -6.238 65 2HG1 ILE 8 1HG1 ILE 8 -13.604 -8.907 -6.288 66 1HG2 ILE 8 1HG2 ILE 8 -11.851 -10.432 -4.901 67 2HG2 ILE 8 2HG2 ILE 8 -11.850 -12.131 -5.371 68 3HG2 ILE 8 3HG2 ILE 8 -13.335 -11.380 -4.791 69 1HD1 ILE 8 1HD1 ILE 8 -13.725 -8.747 -8.617 70 2HD1 ILE 8 2HD1 ILE 8 -15.393 -8.959 -8.084 71 3HD1 ILE 8 3HD1 ILE 8 -14.506 -10.320 -8.772 72 H LYS 9 H LYS 9 -9.822 -10.078 -5.690 73 HA LYS 9 HA LYS 9 -8.391 -12.504 -6.541 74 1HB LYS 9 2HB LYS 9 -7.176 -9.893 -5.636 75 2HB LYS 9 1HB LYS 9 -6.271 -11.378 -5.888 76 1HG LYS 9 2HG LYS 9 -7.808 -9.863 -7.989 77 2HG LYS 9 1HG LYS 9 -6.054 -9.878 -7.787 78 1HD LYS 9 2HD LYS 9 -7.781 -12.270 -8.425 79 2HD LYS 9 1HD LYS 9 -6.764 -11.397 -9.572 80 1HE LYS 9 2HE LYS 9 -4.782 -11.992 -8.268 81 2HE LYS 9 1HE LYS 9 -5.796 -12.860 -7.118 82 1HZ LYS 9 1HZ LYS 9 -4.668 -14.243 -8.870 83 2HZ LYS 9 2HZ LYS 9 -5.717 -13.544 -9.998 84 3HZ LYS 9 3HZ LYS 9 -6.339 -14.467 -8.726 85 H ASN 10 H ASN 10 -9.199 -10.315 -3.886 86 HA ASN 10 HA ASN 10 -9.038 -12.564 -2.041 87 1HB ASN 10 2HB ASN 10 -7.544 -9.975 -1.578 88 2HB ASN 10 1HB ASN 10 -7.738 -11.260 -0.389 89 1HD2 ASN 10 1HD2 ASN 10 -5.604 -9.973 -2.419 90 2HD2 ASN 10 2HD2 ASN 10 -4.656 -11.361 -2.816 91 H ALA 11 H ALA 11 -11.367 -11.667 -2.848 92 HA ALA 11 HA ALA 11 -12.516 -9.443 -1.648 93 1HB ALA 11 1HB ALA 11 -13.532 -11.981 -2.773 94 2HB ALA 11 2HB ALA 11 -13.953 -10.314 -3.165 95 3HB ALA 11 3HB ALA 11 -14.629 -11.079 -1.726 96 H ASP 12 H ASP 12 -13.528 -9.042 0.272 97 HA ASP 12 HA ASP 12 -14.105 -10.998 2.237 98 1HB ASP 12 2HB ASP 12 -11.593 -10.943 2.372 99 2HB ASP 12 1HB ASP 12 -11.709 -9.255 2.856 100 H MET 13 H MET 13 -15.790 -9.273 1.317 101 HA MET 13 HA MET 13 -16.477 -7.621 3.542 102 1HB MET 13 2HB MET 13 -14.817 -6.164 2.451 103 2HB MET 13 1HB MET 13 -15.725 -6.254 0.950 104 1HG MET 13 2HG MET 13 -17.621 -5.153 2.038 105 2HG MET 13 1HG MET 13 -16.689 -5.043 3.530 106 1HE MET 13 1HE MET 13 -14.223 -4.459 3.248 107 2HE MET 13 2HE MET 13 -14.242 -2.702 3.376 108 3HE MET 13 3HE MET 13 -13.541 -3.475 1.955 109 H SER 14 H SER 14 -18.575 -6.514 3.188 110 HA SER 14 HA SER 14 -20.518 -8.175 2.183 111 1HB SER 14 2HB SER 14 -20.642 -5.159 2.420 112 2HB SER 14 1HB SER 14 -22.037 -6.225 2.256 113 HG SER 14 HG SER 14 -21.066 -5.485 4.475 114 H GLU 15 H GLU 15 -21.483 -8.530 0.256 115 HA GLU 15 HA GLU 15 -20.189 -8.084 -2.126 116 1HB GLU 15 2HB GLU 15 -22.298 -8.682 -3.237 117 2HB GLU 15 1HB GLU 15 -21.944 -9.747 -1.884 118 1HG GLU 15 2HG GLU 15 -23.522 -8.503 -0.494 119 2HG GLU 15 1HG GLU 15 -23.882 -7.443 -1.856 120 H GLU 16 H GLU 16 -22.785 -6.150 -0.702 121 HA GLU 16 HA GLU 16 -23.129 -4.367 -2.830 122 1HB GLU 16 2HB GLU 16 -24.142 -2.854 -1.174 123 2HB GLU 16 1HB GLU 16 -24.726 -4.503 -1.001 124 1HG GLU 16 2HG GLU 16 -23.191 -4.844 0.876 125 2HG GLU 16 1HG GLU 16 -22.627 -3.183 0.707 126 H MET 17 H MET 17 -21.004 -4.143 0.013 127 HA MET 17 HA MET 17 -19.959 -1.611 -0.529 128 1HB MET 17 2HB MET 17 -18.634 -3.959 0.835 129 2HB MET 17 1HB MET 17 -18.036 -2.305 0.873 130 1HG MET 17 2HG MET 17 -20.069 -1.589 2.010 131 2HG MET 17 1HG MET 17 -20.678 -3.241 1.966 132 1HE MET 17 1HE MET 17 -19.988 -1.516 5.133 133 2HE MET 17 2HE MET 17 -20.204 -3.207 5.582 134 3HE MET 17 3HE MET 17 -21.168 -2.510 4.280 135 H GLN 18 H GLN 18 -18.849 -4.814 -1.547 136 HA GLN 18 HA GLN 18 -16.508 -4.071 -2.853 137 1HB GLN 18 2HB GLN 18 -18.445 -6.236 -3.681 138 2HB GLN 18 1HB GLN 18 -16.752 -6.129 -4.148 139 1HG GLN 18 2HG GLN 18 -16.058 -6.463 -1.868 140 2HG GLN 18 1HG GLN 18 -17.734 -6.435 -1.324 141 1HE2 GLN 18 1HE2 GLN 18 -18.592 -8.330 -0.973 142 2HE2 GLN 18 2HE2 GLN 18 -18.152 -9.811 -1.735 143 H GLN 19 H GLN 19 -19.825 -4.163 -4.062 144 HA GLN 19 HA GLN 19 -19.241 -3.497 -6.729 145 1HB GLN 19 2HB GLN 19 -21.747 -2.946 -5.132 146 2HB GLN 19 1HB GLN 19 -21.620 -2.827 -6.882 147 1HG GLN 19 2HG GLN 19 -21.234 -5.330 -5.256 148 2HG GLN 19 1HG GLN 19 -22.671 -4.911 -6.185 149 1HE2 GLN 19 1HE2 GLN 19 -22.798 -5.891 -8.058 150 2HE2 GLN 19 2HE2 GLN 19 -21.473 -6.385 -9.050 151 H ASP 20 H ASP 20 -20.011 -1.456 -3.947 152 HA ASP 20 HA ASP 20 -20.010 0.984 -5.382 153 1HB ASP 20 2HB ASP 20 -19.538 0.440 -2.445 154 2HB ASP 20 1HB ASP 20 -19.755 2.044 -3.135 155 H SER 21 H SER 21 -17.501 -0.822 -3.706 156 HA SER 21 HA SER 21 -15.505 1.184 -3.951 157 1HB SER 21 2HB SER 21 -15.207 -1.811 -3.602 158 2HB SER 21 1HB SER 21 -13.914 -0.629 -3.396 159 HG SER 21 HG SER 21 -15.087 -1.346 -1.442 160 H VAL 22 H VAL 22 -16.321 -1.692 -5.863 161 HA VAL 22 HA VAL 22 -14.252 -1.342 -7.770 162 HB VAL 22 HB VAL 22 -16.897 -2.760 -8.139 163 1HG1 VAL 22 1HG1 VAL 22 -15.064 -2.160 -10.058 164 2HG1 VAL 22 2HG1 VAL 22 -16.157 -3.544 -10.107 165 3HG1 VAL 22 3HG1 VAL 22 -14.506 -3.745 -9.523 166 1HG2 VAL 22 1HG2 VAL 22 -14.575 -4.433 -7.641 167 2HG2 VAL 22 2HG2 VAL 22 -16.171 -4.459 -6.891 168 3HG2 VAL 22 3HG2 VAL 22 -14.932 -3.359 -6.288 169 H GLU 23 H GLU 23 -17.620 -0.325 -7.611 170 HA GLU 23 HA GLU 23 -17.735 0.799 -10.202 171 1HB GLU 23 2HB GLU 23 -19.757 0.180 -9.008 172 2HB GLU 23 1HB GLU 23 -19.383 1.323 -7.725 173 1HG GLU 23 2HG GLU 23 -21.100 2.196 -9.172 174 2HG GLU 23 1HG GLU 23 -19.636 3.169 -9.289 175 H CYS 24 H CYS 24 -17.064 2.112 -6.994 176 HA CYS 24 HA CYS 24 -16.845 4.813 -7.782 177 1HB CYS 24 2HB CYS 24 -17.120 4.072 -5.429 178 2HB CYS 24 1HB CYS 24 -15.480 3.433 -5.461 179 HG CYS 24 HG CYS 24 -15.705 5.910 -4.402 180 H ALA 25 H ALA 25 -14.513 2.177 -7.614 181 HA ALA 25 HA ALA 25 -12.216 3.746 -8.166 182 1HB ALA 25 1HB ALA 25 -11.071 1.801 -8.034 183 2HB ALA 25 2HB ALA 25 -12.216 0.933 -9.056 184 3HB ALA 25 3HB ALA 25 -12.581 1.197 -7.351 185 H THR 26 H THR 26 -14.605 2.073 -10.090 186 HA THR 26 HA THR 26 -13.342 2.195 -12.573 187 HB THR 26 HB THR 26 -16.293 2.294 -11.941 188 HG1 THR 26 1HG THR 26 -16.218 0.125 -11.977 189 1HG2 THR 26 1HG2 THR 26 -15.505 0.941 -14.385 190 2HG2 THR 26 2HG2 THR 26 -15.167 2.672 -14.413 191 3HG2 THR 26 3HG2 THR 26 -16.803 2.097 -14.093 192 H GLN 27 H GLN 27 -15.529 4.448 -10.965 193 HA GLN 27 HA GLN 27 -15.738 6.339 -13.021 194 1HB GLN 27 2HB GLN 27 -15.830 6.780 -10.029 195 2HB GLN 27 1HB GLN 27 -16.389 7.923 -11.242 196 1HG GLN 27 2HG GLN 27 -18.083 6.329 -11.973 197 2HG GLN 27 1HG GLN 27 -17.520 5.173 -10.765 198 1HE2 GLN 27 1HE2 GLN 27 -19.850 7.346 -11.400 199 2HE2 GLN 27 2HE2 GLN 27 -20.302 7.790 -9.792 200 H ALA 28 H ALA 28 -13.475 6.115 -10.294 201 HA ALA 28 HA ALA 28 -12.057 8.468 -10.757 202 1HB ALA 28 1HB ALA 28 -11.677 7.344 -8.720 203 2HB ALA 28 2HB ALA 28 -10.154 7.251 -9.604 204 3HB ALA 28 3HB ALA 28 -11.223 5.850 -9.539 205 H LEU 29 H LEU 29 -11.726 5.287 -12.233 206 HA LEU 29 HA LEU 29 -9.304 5.794 -13.581 207 1HB LEU 29 2HB LEU 29 -11.524 3.834 -14.060 208 2HB LEU 29 1HB LEU 29 -10.102 3.899 -15.086 209 HG LEU 29 HG LEU 29 -9.935 3.513 -12.112 210 1HD1 LEU 29 1HD1 LEU 29 -10.551 1.584 -14.267 211 2HD1 LEU 29 2HD1 LEU 29 -10.967 1.540 -12.554 212 3HD1 LEU 29 3HD1 LEU 29 -9.347 1.083 -13.080 213 1HD2 LEU 29 1HD2 LEU 29 -7.998 3.052 -14.373 214 2HD2 LEU 29 2HD2 LEU 29 -7.711 2.610 -12.689 215 3HD2 LEU 29 3HD2 LEU 29 -7.903 4.306 -13.135 216 H GLU 30 H GLU 30 -12.666 5.960 -14.671 217 HA GLU 30 HA GLU 30 -12.000 6.922 -17.270 218 1HB GLU 30 2HB GLU 30 -14.629 7.005 -15.778 219 2HB GLU 30 1HB GLU 30 -14.424 7.344 -17.490 220 1HG GLU 30 2HG GLU 30 -13.647 5.059 -17.853 221 2HG GLU 30 1HG GLU 30 -13.853 4.718 -16.136 222 H LYS 31 H LYS 31 -12.762 8.416 -14.205 223 HA LYS 31 HA LYS 31 -12.983 11.058 -15.370 224 1HB LYS 31 2HB LYS 31 -13.064 10.150 -12.491 225 2HB LYS 31 1HB LYS 31 -13.376 11.790 -13.044 226 1HG LYS 31 2HG LYS 31 -15.308 11.007 -14.305 227 2HG LYS 31 1HG LYS 31 -14.990 9.355 -13.775 228 1HD LYS 31 2HD LYS 31 -15.318 10.041 -11.447 229 2HD LYS 31 1HD LYS 31 -15.638 11.693 -11.980 230 1HE LYS 31 2HE LYS 31 -17.259 9.253 -12.700 231 2HE LYS 31 1HE LYS 31 -17.712 10.482 -11.519 232 1HZ LYS 31 1HZ LYS 31 -17.409 12.070 -13.527 233 2HZ LYS 31 2HZ LYS 31 -18.834 11.170 -13.380 234 3HZ LYS 31 3HZ LYS 31 -17.625 10.668 -14.451 235 H TYR 32 H TYR 32 -10.476 9.089 -14.081 236 HA TYR 32 HA TYR 32 -8.689 11.395 -14.191 237 1HB TYR 32 2HB TYR 32 -8.738 9.517 -11.827 238 2HB TYR 32 1HB TYR 32 -7.689 10.918 -12.038 239 HD1 TYR 32 1HD TYR 32 -9.017 13.189 -12.487 240 HD2 TYR 32 2HD TYR 32 -10.621 9.773 -10.526 241 HE1 TYR 32 1HE TYR 32 -10.713 14.609 -11.416 242 HE2 TYR 32 2HE TYR 32 -12.319 11.182 -9.443 243 HH TYR 32 HH TYR 32 -12.191 14.199 -8.990 244 H ASN 33 H ASN 33 -9.023 7.893 -13.996 245 HA ASN 33 HA ASN 33 -7.714 6.172 -14.662 246 1HB ASN 33 2HB ASN 33 -6.509 6.426 -16.784 247 2HB ASN 33 1HB ASN 33 -8.120 7.121 -16.875 248 1HD2 ASN 33 1HD2 ASN 33 -8.224 8.978 -17.876 249 2HD2 ASN 33 2HD2 ASN 33 -6.963 10.154 -17.987 250 H ILE 34 H ILE 34 -6.730 7.185 -12.431 251 HA ILE 34 HA ILE 34 -3.860 6.777 -12.760 252 HB ILE 34 HB ILE 34 -4.994 9.164 -11.297 253 1HG1 ILE 34 2HG1 ILE 34 -3.202 8.982 -13.728 254 2HG1 ILE 34 1HG1 ILE 34 -4.898 9.455 -13.733 255 1HG2 ILE 34 1HG2 ILE 34 -3.125 8.204 -10.073 256 2HG2 ILE 34 2HG2 ILE 34 -2.659 9.739 -10.806 257 3HG2 ILE 34 3HG2 ILE 34 -2.139 8.219 -11.536 258 1HD1 ILE 34 1HD1 ILE 34 -2.914 11.215 -13.739 259 2HD1 ILE 34 2HD1 ILE 34 -3.077 11.004 -11.995 260 3HD1 ILE 34 3HD1 ILE 34 -4.461 11.531 -12.952 261 H GLU 35 H GLU 35 -3.142 5.393 -11.274 262 HA GLU 35 HA GLU 35 -4.735 4.071 -9.466 263 1HB GLU 35 2HB GLU 35 -2.652 3.261 -8.428 264 2HB GLU 35 1HB GLU 35 -2.592 3.196 -10.184 265 1HG GLU 35 2HG GLU 35 -1.288 5.279 -10.198 266 2HG GLU 35 1HG GLU 35 -1.315 5.286 -8.435 267 H LYS 36 H LYS 36 -2.551 6.796 -8.781 268 HA LYS 36 HA LYS 36 -2.954 6.918 -6.021 269 1HB LYS 36 2HB LYS 36 -1.212 8.187 -7.231 270 2HB LYS 36 1HB LYS 36 -2.458 9.229 -7.904 271 1HG LYS 36 2HG LYS 36 -3.080 9.743 -5.477 272 2HG LYS 36 1HG LYS 36 -1.525 9.019 -5.065 273 1HD LYS 36 2HD LYS 36 -1.181 11.365 -5.246 274 2HD LYS 36 1HD LYS 36 -0.467 10.625 -6.680 275 1HE LYS 36 2HE LYS 36 -1.698 12.592 -7.331 276 2HE LYS 36 1HE LYS 36 -2.529 11.160 -7.935 277 1HZ LYS 36 1HZ LYS 36 -3.588 11.670 -5.435 278 2HZ LYS 36 2HZ LYS 36 -4.338 11.904 -6.931 279 3HZ LYS 36 3HZ LYS 36 -3.494 13.175 -6.202 280 H ASP 37 H ASP 37 -4.572 8.834 -8.556 281 HA ASP 37 HA ASP 37 -6.345 10.209 -6.935 282 1HB ASP 37 2HB ASP 37 -6.643 9.287 -9.795 283 2HB ASP 37 1HB ASP 37 -7.775 10.379 -9.005 284 H ILE 38 H ILE 38 -6.785 7.046 -8.490 285 HA ILE 38 HA ILE 38 -9.428 6.559 -7.856 286 HB ILE 38 HB ILE 38 -7.129 4.597 -7.900 287 1HG1 ILE 38 2HG1 ILE 38 -9.218 5.204 -9.998 288 2HG1 ILE 38 1HG1 ILE 38 -7.592 5.874 -10.001 289 1HG2 ILE 38 1HG2 ILE 38 -9.007 3.663 -6.655 290 2HG2 ILE 38 2HG2 ILE 38 -8.820 2.856 -8.212 291 3HG2 ILE 38 3HG2 ILE 38 -10.094 4.053 -7.988 292 1HD1 ILE 38 1HD1 ILE 38 -7.123 4.124 -11.306 293 2HD1 ILE 38 2HD1 ILE 38 -8.539 3.220 -10.771 294 3HD1 ILE 38 3HD1 ILE 38 -7.072 3.221 -9.792 295 H ALA 39 H ALA 39 -6.557 6.078 -5.842 296 HA ALA 39 HA ALA 39 -7.923 4.902 -3.661 297 1HB ALA 39 1HB ALA 39 -5.754 5.815 -2.447 298 2HB ALA 39 2HB ALA 39 -5.213 6.024 -4.113 299 3HB ALA 39 3HB ALA 39 -5.699 4.430 -3.538 300 H ALA 40 H ALA 40 -6.957 8.241 -4.370 301 HA ALA 40 HA ALA 40 -7.690 9.342 -1.892 302 1HB ALA 40 1HB ALA 40 -7.124 10.392 -4.595 303 2HB ALA 40 2HB ALA 40 -6.442 10.843 -3.032 304 3HB ALA 40 3HB ALA 40 -8.032 11.443 -3.508 305 H HIS 41 H HIS 41 -9.540 9.034 -4.912 306 HA HIS 41 HA HIS 41 -11.848 10.347 -3.941 307 1HB HIS 41 2HB HIS 41 -11.675 8.332 -6.184 308 2HB HIS 41 1HB HIS 41 -12.942 9.533 -5.940 309 HD1 HIS 41 1HD HIS 41 -11.601 12.106 -5.650 310 HD2 HIS 41 2HD HIS 41 -10.085 9.179 -8.182 311 HE1 HIS 41 1HE HIS 41 -10.110 13.326 -7.265 312 HE2 HIS 41 2HE HIS 41 -9.257 11.548 -8.828 313 H ILE 42 H ILE 42 -11.223 6.866 -4.448 314 HA ILE 42 HA ILE 42 -13.645 5.950 -3.409 315 HB ILE 42 HB ILE 42 -10.959 4.565 -3.381 316 1HG1 ILE 42 2HG1 ILE 42 -13.269 4.402 -5.327 317 2HG1 ILE 42 1HG1 ILE 42 -11.723 5.186 -5.631 318 1HG2 ILE 42 1HG2 ILE 42 -12.199 3.332 -1.863 319 2HG2 ILE 42 2HG2 ILE 42 -12.537 2.505 -3.385 320 3HG2 ILE 42 3HG2 ILE 42 -13.717 3.628 -2.710 321 1HD1 ILE 42 1HD1 ILE 42 -12.460 2.361 -5.736 322 2HD1 ILE 42 2HD1 ILE 42 -10.928 2.691 -4.928 323 3HD1 ILE 42 3HD1 ILE 42 -11.188 3.240 -6.583 324 H LYS 43 H LYS 43 -10.570 6.595 -1.782 325 HA LYS 43 HA LYS 43 -11.234 5.558 0.725 326 1HB LYS 43 2HB LYS 43 -8.949 6.143 0.072 327 2HB LYS 43 1HB LYS 43 -9.378 7.848 0.065 328 1HG LYS 43 2HG LYS 43 -9.826 7.754 2.461 329 2HG LYS 43 1HG LYS 43 -9.410 6.039 2.472 330 1HD LYS 43 2HD LYS 43 -7.142 6.593 1.721 331 2HD LYS 43 1HD LYS 43 -7.562 8.306 1.726 332 1HE LYS 43 2HE LYS 43 -7.564 6.471 4.120 333 2HE LYS 43 1HE LYS 43 -6.339 7.683 3.748 334 1HZ LYS 43 1HZ LYS 43 -7.618 8.907 5.124 335 2HZ LYS 43 2HZ LYS 43 -9.027 8.025 4.812 336 3HZ LYS 43 3HZ LYS 43 -8.504 9.197 3.711 337 H LYS 44 H LYS 44 -11.430 8.960 -0.382 338 HA LYS 44 HA LYS 44 -12.509 9.945 2.011 339 1HB LYS 44 2HB LYS 44 -13.063 11.948 0.795 340 2HB LYS 44 1HB LYS 44 -11.499 11.361 0.250 341 1HG LYS 44 2HG LYS 44 -12.508 10.443 -1.753 342 2HG LYS 44 1HG LYS 44 -14.107 10.941 -1.196 343 1HD LYS 44 2HD LYS 44 -13.314 13.296 -1.197 344 2HD LYS 44 1HD LYS 44 -11.788 12.742 -1.890 345 1HE LYS 44 2HE LYS 44 -12.992 11.866 -3.832 346 2HE LYS 44 1HE LYS 44 -14.516 12.413 -3.137 347 1HZ LYS 44 1HZ LYS 44 -12.393 14.392 -3.474 348 2HZ LYS 44 2HZ LYS 44 -14.069 14.569 -3.621 349 3HZ LYS 44 3HZ LYS 44 -13.182 13.853 -4.871 350 H GLU 45 H GLU 45 -14.150 8.820 -0.934 351 HA GLU 45 HA GLU 45 -16.747 9.516 -0.241 352 1HB GLU 45 2HB GLU 45 -15.755 7.148 -1.830 353 2HB GLU 45 1HB GLU 45 -17.443 7.622 -1.730 354 1HG GLU 45 2HG GLU 45 -15.228 9.355 -2.799 355 2HG GLU 45 1HG GLU 45 -16.336 8.403 -3.783 356 H PHE 46 H PHE 46 -15.016 6.484 0.469 357 HA PHE 46 HA PHE 46 -17.200 5.370 1.915 358 1HB PHE 46 2HB PHE 46 -14.302 4.614 1.672 359 2HB PHE 46 1HB PHE 46 -15.400 3.751 2.739 360 HD1 PHE 46 1HD PHE 46 -17.808 3.379 1.365 361 HD2 PHE 46 2HD PHE 46 -13.868 3.425 -0.241 362 HE1 PHE 46 1HE PHE 46 -18.562 1.977 -0.509 363 HE2 PHE 46 2HE PHE 46 -14.617 2.023 -2.122 364 HZ PHE 46 HZ PHE 46 -16.965 1.300 -2.257 365 H ASP 47 H ASP 47 -14.202 6.980 2.909 366 HA ASP 47 HA ASP 47 -14.436 6.630 5.655 367 1HB ASP 47 2HB ASP 47 -13.276 8.976 4.138 368 2HB ASP 47 1HB ASP 47 -13.039 8.680 5.857 369 H LYS 48 H LYS 48 -16.005 8.940 3.537 370 HA LYS 48 HA LYS 48 -17.133 10.449 5.719 371 1HB LYS 48 2HB LYS 48 -16.562 11.639 3.705 372 2HB LYS 48 1HB LYS 48 -17.526 10.545 2.729 373 1HG LYS 48 2HG LYS 48 -18.642 12.675 3.025 374 2HG LYS 48 1HG LYS 48 -19.555 11.363 3.770 375 1HD LYS 48 2HD LYS 48 -19.610 13.189 5.289 376 2HD LYS 48 1HD LYS 48 -18.492 12.002 5.959 377 1HE LYS 48 2HE LYS 48 -17.631 14.386 4.329 378 2HE LYS 48 1HE LYS 48 -17.726 14.388 6.088 379 1HZ LYS 48 1HZ LYS 48 -16.252 12.181 5.556 380 2HZ LYS 48 2HZ LYS 48 -15.628 13.689 5.997 381 3HZ LYS 48 3HZ LYS 48 -15.725 13.259 4.365 382 H LYS 49 H LYS 49 -18.227 8.078 3.361 383 HA LYS 49 HA LYS 49 -20.963 8.191 4.213 384 1HB LYS 49 2HB LYS 49 -20.412 7.695 1.905 385 2HB LYS 49 1HB LYS 49 -19.517 6.267 2.403 386 1HG LYS 49 2HG LYS 49 -21.691 5.675 1.509 387 2HG LYS 49 1HG LYS 49 -21.571 5.248 3.216 388 1HD LYS 49 2HD LYS 49 -23.738 6.254 2.720 389 2HD LYS 49 1HD LYS 49 -22.802 7.279 3.811 390 1HE LYS 49 2HE LYS 49 -22.141 8.685 1.921 391 2HE LYS 49 1HE LYS 49 -23.068 7.656 0.829 392 1HZ LYS 49 1HZ LYS 49 -25.044 8.463 1.596 393 2HZ LYS 49 2HZ LYS 49 -24.084 9.841 1.800 394 3HZ LYS 49 3HZ LYS 49 -24.438 8.857 3.127 395 H TYR 50 H TYR 50 -18.590 5.547 4.253 396 HA TYR 50 HA TYR 50 -20.184 4.100 6.179 397 1HB TYR 50 2HB TYR 50 -17.585 3.427 4.805 398 2HB TYR 50 1HB TYR 50 -18.409 2.354 5.933 399 HD1 TYR 50 1HD TYR 50 -19.344 4.406 2.942 400 HD2 TYR 50 2HD TYR 50 -19.626 0.666 4.951 401 HE1 TYR 50 1HE TYR 50 -20.721 3.536 1.108 402 HE2 TYR 50 2HE TYR 50 -21.002 -0.219 3.115 403 HH TYR 50 HH TYR 50 -21.212 1.135 0.155 404 H ASN 51 H ASN 51 -17.528 6.255 6.290 405 HA ASN 51 HA ASN 51 -16.690 7.256 8.214 406 1HB ASN 51 2HB ASN 51 -17.424 4.740 9.726 407 2HB ASN 51 1HB ASN 51 -16.838 6.248 10.414 408 1HD2 ASN 51 1HD2 ASN 51 -19.508 4.462 9.999 409 2HD2 ASN 51 2HD2 ASN 51 -20.713 5.699 10.019 410 HA PRO 52 HA PRO 52 -12.667 5.680 7.522 411 1HB PRO 52 2HB PRO 52 -11.900 6.816 10.151 412 2HB PRO 52 1HB PRO 52 -11.255 7.164 8.545 413 1HG PRO 52 2HG PRO 52 -12.829 8.913 9.807 414 2HG PRO 52 1HG PRO 52 -12.933 8.678 8.051 415 1HD PRO 52 2HD PRO 52 -14.729 7.650 10.213 416 2HD PRO 52 1HD PRO 52 -15.144 8.286 8.609 417 H THR 53 H THR 53 -11.364 3.146 9.715 418 HA THR 53 HA THR 53 -10.876 5.361 7.843 419 HB THR 53 HB THR 53 -9.455 5.408 9.860 420 HG1 THR 53 1HG THR 53 -8.689 6.005 7.667 421 1HG2 THR 53 1HG2 THR 53 -8.263 2.840 8.853 422 2HG2 THR 53 2HG2 THR 53 -9.342 2.965 10.243 423 3HG2 THR 53 3HG2 THR 53 -7.773 3.769 10.271 424 H TRP 54 H TRP 54 -10.747 4.807 5.797 425 HA TRP 54 HA TRP 54 -10.369 2.008 5.098 426 1HB TRP 54 2HB TRP 54 -11.214 4.363 3.413 427 2HB TRP 54 1HB TRP 54 -11.116 2.697 2.848 428 HD1 TRP 54 HD TRP 54 -12.874 4.515 5.798 429 HE1 TRP 54 1HE TRP 54 -15.231 3.525 6.035 430 HE3 TRP 54 3HE TRP 54 -12.660 1.042 2.054 431 HZ2 TRP 54 2HZ TRP 54 -16.801 1.522 4.794 432 HZ3 TRP 54 3HZ TRP 54 -14.635 -0.372 1.643 433 HH2 TRP 54 HH TRP 54 -16.660 -0.136 2.988 434 H HIS 55 H HIS 55 -8.593 1.206 4.274 435 HA HIS 55 HA HIS 55 -6.428 3.036 3.508 436 1HB HIS 55 2HB HIS 55 -6.169 0.061 3.930 437 2HB HIS 55 1HB HIS 55 -4.907 1.287 4.001 438 HD1 HIS 55 1HD HIS 55 -5.724 3.207 6.041 439 HD2 HIS 55 2HD HIS 55 -6.663 -0.820 6.415 440 HE1 HIS 55 1HE HIS 55 -6.127 2.838 8.497 441 HE2 HIS 55 2HE HIS 55 -6.609 0.374 8.710 442 H CYS 56 H CYS 56 -5.636 3.034 1.409 443 HA CYS 56 HA CYS 56 -6.705 0.961 -0.381 444 1HB CYS 56 2HB CYS 56 -8.134 2.956 -0.579 445 2HB CYS 56 1HB CYS 56 -6.720 3.913 -1.013 446 HG CYS 56 HG CYS 56 -7.029 1.643 -2.948 447 H ILE 57 H ILE 57 -5.529 0.471 -2.185 448 HA ILE 57 HA ILE 57 -2.994 1.812 -2.676 449 HB ILE 57 HB ILE 57 -3.116 -1.150 -2.080 450 1HG1 ILE 57 2HG1 ILE 57 -1.876 1.111 -0.501 451 2HG1 ILE 57 1HG1 ILE 57 -3.302 0.189 -0.036 452 1HG2 ILE 57 1HG2 ILE 57 -0.758 -1.186 -2.438 453 2HG2 ILE 57 2HG2 ILE 57 -0.699 0.566 -2.610 454 3HG2 ILE 57 3HG2 ILE 57 -1.495 -0.414 -3.840 455 1HD1 ILE 57 1HD1 ILE 57 -2.087 -1.625 0.595 456 2HD1 ILE 57 2HD1 ILE 57 -0.918 -0.348 0.933 457 3HD1 ILE 57 3HD1 ILE 57 -0.788 -1.294 -0.550 458 H VAL 58 H VAL 58 -2.482 1.772 -4.806 459 HA VAL 58 HA VAL 58 -3.704 -0.216 -6.548 460 HB VAL 58 HB VAL 58 -3.995 2.748 -7.054 461 1HG1 VAL 58 1HG1 VAL 58 -5.268 2.134 -9.002 462 2HG1 VAL 58 2HG1 VAL 58 -5.112 0.420 -8.612 463 3HG1 VAL 58 3HG1 VAL 58 -3.690 1.352 -9.082 464 1HG2 VAL 58 1HG2 VAL 58 -5.899 0.678 -6.024 465 2HG2 VAL 58 2HG2 VAL 58 -6.484 2.090 -6.904 466 3HG2 VAL 58 3HG2 VAL 58 -5.574 2.298 -5.407 467 H GLY 59 H GLY 59 -2.400 -0.833 -8.161 468 1HA GLY 59 2HA GLY 59 -0.546 0.785 -9.507 469 2HA GLY 59 1HA GLY 59 0.301 -0.042 -8.207 470 H ARG 60 H ARG 60 1.460 -1.619 -9.137 471 HA ARG 60 HA ARG 60 0.236 -3.912 -10.191 472 1HB ARG 60 2HB ARG 60 0.951 -3.764 -12.557 473 2HB ARG 60 1HB ARG 60 -0.273 -2.573 -12.142 474 1HG ARG 60 2HG ARG 60 1.438 -0.850 -11.970 475 2HG ARG 60 1HG ARG 60 2.685 -2.042 -12.341 476 1HD ARG 60 2HD ARG 60 1.682 -2.425 -14.529 477 2HD ARG 60 1HD ARG 60 0.406 -1.266 -14.158 478 HE ARG 60 HE ARG 60 2.875 0.012 -13.856 479 1HH1 ARG 60 1HH1 ARG 60 0.898 -1.362 -16.382 480 2HH1 ARG 60 2HH1 ARG 60 1.508 -0.302 -17.608 481 1HH2 ARG 60 1HH2 ARG 60 3.679 1.409 -15.467 482 2HH2 ARG 60 2HH2 ARG 60 3.088 1.270 -17.090 483 H ASN 61 H ASN 61 2.261 -3.366 -8.328 484 HA ASN 61 HA ASN 61 4.086 -5.323 -8.648 485 1HB ASN 61 2HB ASN 61 4.922 -4.226 -10.689 486 2HB ASN 61 1HB ASN 61 5.248 -2.760 -9.778 487 1HD2 ASN 61 1HD2 ASN 61 5.915 -5.599 -8.014 488 2HD2 ASN 61 2HD2 ASN 61 7.622 -5.618 -8.257 489 H PHE 62 H PHE 62 3.517 -5.159 -6.388 490 HA PHE 62 HA PHE 62 5.523 -3.886 -4.850 491 1HB PHE 62 2HB PHE 62 4.160 -2.249 -3.656 492 2HB PHE 62 1HB PHE 62 4.218 -1.891 -5.377 493 HD1 PHE 62 1HD PHE 62 2.099 -3.617 -2.845 494 HD2 PHE 62 2HD PHE 62 2.250 -1.476 -6.520 495 HE1 PHE 62 1HE PHE 62 -0.359 -3.569 -2.915 496 HE2 PHE 62 2HE PHE 62 -0.208 -1.423 -6.594 497 HZ PHE 62 HZ PHE 62 -1.519 -2.469 -4.790 498 H GLY 63 H GLY 63 5.721 -4.749 -2.892 499 1HA GLY 63 2HA GLY 63 3.757 -6.785 -2.101 500 2HA GLY 63 1HA GLY 63 5.406 -6.650 -1.495 501 H SER 64 H SER 64 2.855 -6.827 0.049 502 HA SER 64 HA SER 64 3.463 -4.706 1.871 503 1HB SER 64 2HB SER 64 1.250 -3.583 1.762 504 2HB SER 64 1HB SER 64 2.206 -3.380 0.295 505 HG SER 64 HG SER 64 -0.083 -3.982 0.034 506 H TYR 65 H TYR 65 2.328 -4.706 3.795 507 HA TYR 65 HA TYR 65 0.525 -6.935 4.354 508 1HB TYR 65 2HB TYR 65 3.163 -6.404 5.689 509 2HB TYR 65 1HB TYR 65 1.844 -7.120 6.610 510 HD1 TYR 65 1HD TYR 65 0.634 -9.116 5.203 511 HD2 TYR 65 2HD TYR 65 4.693 -7.901 4.834 512 HE1 TYR 65 1HE TYR 65 1.212 -11.341 4.338 513 HE2 TYR 65 2HE TYR 65 5.282 -10.126 3.968 514 HH TYR 65 HH TYR 65 3.619 -12.746 4.334 515 H VAL 66 H VAL 66 -1.071 -6.401 5.776 516 HA VAL 66 HA VAL 66 -0.890 -4.007 7.417 517 HB VAL 66 HB VAL 66 -3.098 -4.234 5.378 518 1HG1 VAL 66 1HG1 VAL 66 -2.198 -1.910 7.069 519 2HG1 VAL 66 2HG1 VAL 66 -3.603 -2.925 7.387 520 3HG1 VAL 66 3HG1 VAL 66 -3.551 -1.917 5.944 521 1HG2 VAL 66 1HG2 VAL 66 -1.959 -2.400 4.148 522 2HG2 VAL 66 2HG2 VAL 66 -1.070 -3.923 4.123 523 3HG2 VAL 66 3HG2 VAL 66 -0.557 -2.620 5.195 524 H THR 67 H THR 67 -2.780 -3.782 8.848 525 HA THR 67 HA THR 67 -4.223 -6.336 9.190 526 HB THR 67 HB THR 67 -3.358 -4.367 11.330 527 HG1 THR 67 1HG THR 67 -1.632 -5.608 10.683 528 1HG2 THR 67 1HG2 THR 67 -4.032 -6.290 12.858 529 2HG2 THR 67 2HG2 THR 67 -4.982 -6.876 11.492 530 3HG2 THR 67 3HG2 THR 67 -5.318 -5.288 12.184 531 H HIS 68 H HIS 68 -6.431 -6.236 9.763 532 HA HIS 68 HA HIS 68 -7.769 -3.710 10.074 533 1HB HIS 68 2HB HIS 68 -9.057 -3.902 7.951 534 2HB HIS 68 1HB HIS 68 -7.336 -3.606 7.696 535 HD1 HIS 68 1HD HIS 68 -9.845 -6.435 7.595 536 HD2 HIS 68 2HD HIS 68 -6.026 -5.522 6.238 537 HE1 HIS 68 1HE HIS 68 -9.184 -8.351 6.112 538 HE2 HIS 68 2HE HIS 68 -6.833 -7.826 5.386 539 H GLU 69 H GLU 69 -10.009 -3.903 10.446 540 HA GLU 69 HA GLU 69 -10.814 -6.143 11.905 541 1HB GLU 69 2HB GLU 69 -11.781 -3.941 12.248 542 2HB GLU 69 1HB GLU 69 -12.459 -3.952 10.627 543 1HG GLU 69 2HG GLU 69 -14.154 -4.405 12.290 544 2HG GLU 69 1HG GLU 69 -13.918 -5.797 11.236 545 H THR 70 H THR 70 -12.043 -7.920 11.442 546 HA THR 70 HA THR 70 -11.977 -9.006 8.870 547 HB THR 70 HB THR 70 -13.553 -10.709 9.753 548 HG1 THR 70 1HG THR 70 -14.453 -10.481 11.711 549 1HG2 THR 70 1HG2 THR 70 -11.756 -11.677 10.588 550 2HG2 THR 70 2HG2 THR 70 -11.988 -10.771 12.083 551 3HG2 THR 70 3HG2 THR 70 -10.973 -10.111 10.799 552 H LYS 71 H LYS 71 -13.611 -9.450 7.355 553 HA LYS 71 HA LYS 71 -15.390 -8.982 6.024 554 1HB LYS 71 2HB LYS 71 -16.625 -8.018 8.609 555 2HB LYS 71 1HB LYS 71 -17.498 -8.211 7.096 556 1HG LYS 71 2HG LYS 71 -16.152 -10.402 8.660 557 2HG LYS 71 1HG LYS 71 -17.887 -10.097 8.558 558 1HD LYS 71 2HD LYS 71 -17.819 -10.524 6.148 559 2HD LYS 71 1HD LYS 71 -16.084 -10.833 6.252 560 1HE LYS 71 2HE LYS 71 -17.344 -12.921 6.206 561 2HE LYS 71 1HE LYS 71 -16.504 -12.721 7.744 562 1HZ LYS 71 1HZ LYS 71 -18.550 -12.033 8.770 563 2HZ LYS 71 2HZ LYS 71 -18.798 -13.519 8.000 564 3HZ LYS 71 3HZ LYS 71 -19.372 -12.095 7.291 565 H HIS 72 H HIS 72 -13.287 -7.128 6.240 566 HA HIS 72 HA HIS 72 -14.601 -4.803 5.147 567 1HB HIS 72 2HB HIS 72 -12.883 -4.568 7.626 568 2HB HIS 72 1HB HIS 72 -13.367 -3.208 6.622 569 HD1 HIS 72 1HD HIS 72 -14.977 -5.924 8.735 570 HD2 HIS 72 2HD HIS 72 -15.734 -2.088 7.337 571 HE1 HIS 72 1HE HIS 72 -17.130 -5.225 9.828 572 HE2 HIS 72 2HE HIS 72 -17.618 -2.937 8.892 573 H PHE 73 H PHE 73 -13.233 -6.408 3.642 574 HA PHE 73 HA PHE 73 -10.959 -4.859 2.837 575 1HB PHE 73 2HB PHE 73 -9.872 -6.238 4.514 576 2HB PHE 73 1HB PHE 73 -10.558 -7.696 3.806 577 HD1 PHE 73 1HD PHE 73 -9.913 -8.158 1.321 578 HD2 PHE 73 2HD PHE 73 -7.748 -5.578 3.922 579 HE1 PHE 73 1HE PHE 73 -7.927 -8.392 -0.108 580 HE2 PHE 73 2HE PHE 73 -5.756 -5.809 2.499 581 HZ PHE 73 HZ PHE 73 -5.843 -7.217 0.480 582 H ILE 74 H ILE 74 -10.386 -5.191 0.702 583 HA ILE 74 HA ILE 74 -11.426 -7.416 -0.795 584 HB ILE 74 HB ILE 74 -13.436 -6.051 -0.691 585 1HG1 ILE 74 2HG1 ILE 74 -12.113 -5.904 -3.412 586 2HG1 ILE 74 1HG1 ILE 74 -12.980 -7.294 -2.766 587 1HG2 ILE 74 1HG2 ILE 74 -12.748 -3.811 -2.280 588 2HG2 ILE 74 2HG2 ILE 74 -11.596 -3.899 -0.949 589 3HG2 ILE 74 3HG2 ILE 74 -13.326 -3.840 -0.616 590 1HD1 ILE 74 1HD1 ILE 74 -14.642 -4.967 -2.646 591 2HD1 ILE 74 2HD1 ILE 74 -14.901 -6.490 -3.499 592 3HD1 ILE 74 3HD1 ILE 74 -14.008 -5.182 -4.277 593 H TYR 75 H TYR 75 -10.112 -7.850 -2.425 594 HA TYR 75 HA TYR 75 -8.410 -5.707 -3.515 595 1HB TYR 75 2HB TYR 75 -7.120 -7.199 -2.019 596 2HB TYR 75 1HB TYR 75 -7.613 -8.582 -2.989 597 HD1 TYR 75 1HD TYR 75 -6.182 -5.202 -3.730 598 HD2 TYR 75 2HD TYR 75 -5.902 -9.411 -4.272 599 HE1 TYR 75 1HE TYR 75 -4.205 -4.881 -5.158 600 HE2 TYR 75 2HE TYR 75 -3.928 -9.103 -5.703 601 HH TYR 75 HH TYR 75 -2.423 -5.961 -6.112 602 H PHE 76 H PHE 76 -8.371 -5.583 -5.727 603 HA PHE 76 HA PHE 76 -8.975 -7.834 -7.391 604 1HB PHE 76 2HB PHE 76 -11.067 -6.905 -8.353 605 2HB PHE 76 1HB PHE 76 -11.234 -7.365 -6.663 606 HD1 PHE 76 1HD PHE 76 -10.642 -5.340 -4.984 607 HD2 PHE 76 2HD PHE 76 -12.026 -4.938 -8.987 608 HE1 PHE 76 1HE PHE 76 -11.474 -3.085 -4.466 609 HE2 PHE 76 2HE PHE 76 -12.862 -2.681 -8.476 610 HZ PHE 76 HZ PHE 76 -12.586 -1.753 -6.212 611 H TYR 77 H TYR 77 -8.276 -7.565 -9.429 612 HA TYR 77 HA TYR 77 -6.785 -5.210 -10.099 613 1HB TYR 77 2HB TYR 77 -7.483 -7.693 -11.676 614 2HB TYR 77 1HB TYR 77 -6.463 -6.403 -12.301 615 HD1 TYR 77 1HD TYR 77 -4.436 -5.767 -10.684 616 HD2 TYR 77 2HD TYR 77 -6.448 -9.516 -10.724 617 HE1 TYR 77 1HE TYR 77 -2.460 -6.831 -9.679 618 HE2 TYR 77 2HE TYR 77 -4.478 -10.589 -9.715 619 HH TYR 77 HH TYR 77 -1.473 -9.191 -9.608 620 H LEU 78 H LEU 78 -7.165 -3.843 -11.973 621 HA LEU 78 HA LEU 78 -9.690 -3.984 -13.330 622 1HB LEU 78 2HB LEU 78 -10.431 -3.030 -11.221 623 2HB LEU 78 1HB LEU 78 -9.229 -1.760 -11.349 624 HG LEU 78 HG LEU 78 -10.365 -0.813 -13.270 625 1HD1 LEU 78 1HD1 LEU 78 -11.777 -3.387 -13.211 626 2HD1 LEU 78 2HD1 LEU 78 -11.418 -2.316 -14.565 627 3HD1 LEU 78 3HD1 LEU 78 -12.798 -1.981 -13.519 628 1HD2 LEU 78 1HD2 LEU 78 -12.302 -1.421 -11.040 629 2HD2 LEU 78 2HD2 LEU 78 -12.421 -0.087 -12.188 630 3HD2 LEU 78 3HD2 LEU 78 -11.093 -0.137 -11.028 631 H GLY 79 H GLY 79 -9.577 -3.059 -15.264 632 1HA GLY 79 2HA GLY 79 -8.842 -1.813 -17.042 633 2HA GLY 79 1HA GLY 79 -8.130 -0.702 -15.879 634 H GLN 80 H GLN 80 -6.147 -1.686 -14.745 635 HA GLN 80 HA GLN 80 -4.574 -3.632 -15.931 636 1HB GLN 80 2HB GLN 80 -2.904 -2.272 -17.137 637 2HB GLN 80 1HB GLN 80 -4.488 -2.191 -17.896 638 1HG GLN 80 2HG GLN 80 -4.878 -0.018 -16.852 639 2HG GLN 80 1HG GLN 80 -3.290 -0.102 -16.088 640 1HE2 GLN 80 1HE2 GLN 80 -1.824 1.068 -17.075 641 2HE2 GLN 80 2HE2 GLN 80 -1.733 1.384 -18.771 642 H VAL 81 H VAL 81 -5.277 -2.619 -13.380 643 HA VAL 81 HA VAL 81 -2.674 -2.508 -12.165 644 HB VAL 81 HB VAL 81 -3.089 -0.420 -10.896 645 1HG1 VAL 81 1HG1 VAL 81 -2.353 1.069 -12.572 646 2HG1 VAL 81 2HG1 VAL 81 -3.173 0.166 -13.844 647 3HG1 VAL 81 3HG1 VAL 81 -1.756 -0.519 -13.049 648 1HG2 VAL 81 1HG2 VAL 81 -5.527 -0.376 -11.104 649 2HG2 VAL 81 2HG2 VAL 81 -5.373 -0.028 -12.826 650 3HG2 VAL 81 3HG2 VAL 81 -4.805 1.143 -11.636 651 H ALA 82 H ALA 82 -2.732 -3.397 -10.168 652 HA ALA 82 HA ALA 82 -5.144 -4.598 -9.260 653 1HB ALA 82 1HB ALA 82 -3.025 -4.466 -7.272 654 2HB ALA 82 2HB ALA 82 -2.455 -5.032 -8.841 655 3HB ALA 82 3HB ALA 82 -3.782 -5.865 -8.032 656 H ILE 83 H ILE 83 -6.662 -3.814 -7.950 657 HA ILE 83 HA ILE 83 -6.111 -1.293 -6.543 658 HB ILE 83 HB ILE 83 -8.777 -2.490 -7.310 659 1HG1 ILE 83 2HG1 ILE 83 -7.246 -0.153 -8.476 660 2HG1 ILE 83 1HG1 ILE 83 -7.487 -1.715 -9.252 661 1HG2 ILE 83 1HG2 ILE 83 -9.508 -1.170 -5.648 662 2HG2 ILE 83 2HG2 ILE 83 -9.223 0.145 -6.790 663 3HG2 ILE 83 3HG2 ILE 83 -8.003 -0.254 -5.581 664 1HD1 ILE 83 1HD1 ILE 83 -9.657 0.244 -8.541 665 2HD1 ILE 83 2HD1 ILE 83 -9.882 -1.310 -9.344 666 3HD1 ILE 83 3HD1 ILE 83 -8.985 -0.024 -10.150 667 H LEU 84 H LEU 84 -6.340 -1.126 -4.377 668 HA LEU 84 HA LEU 84 -7.364 -3.471 -2.919 669 1HB LEU 84 2HB LEU 84 -4.922 -3.457 -2.840 670 2HB LEU 84 1HB LEU 84 -4.940 -1.814 -2.228 671 HG LEU 84 HG LEU 84 -6.068 -2.599 -0.178 672 1HD1 LEU 84 1HD1 LEU 84 -6.347 -5.008 -1.748 673 2HD1 LEU 84 2HD1 LEU 84 -7.153 -4.537 -0.251 674 3HD1 LEU 84 3HD1 LEU 84 -5.582 -5.337 -0.192 675 1HD2 LEU 84 1HD2 LEU 84 -3.625 -4.285 -0.582 676 2HD2 LEU 84 2HD2 LEU 84 -4.139 -3.394 0.848 677 3HD2 LEU 84 3HD2 LEU 84 -3.520 -2.524 -0.555 678 H LEU 85 H LEU 85 -8.579 -3.079 -1.116 679 HA LEU 85 HA LEU 85 -8.760 -0.443 0.036 680 1HB LEU 85 2HB LEU 85 -10.245 -0.264 -1.933 681 2HB LEU 85 1HB LEU 85 -11.175 -1.626 -1.337 682 HG LEU 85 HG LEU 85 -11.758 -0.302 0.683 683 1HD1 LEU 85 1HD1 LEU 85 -11.408 2.260 0.244 684 2HD1 LEU 85 2HD1 LEU 85 -10.025 1.690 -0.691 685 3HD1 LEU 85 3HD1 LEU 85 -10.155 1.294 1.024 686 1HD2 LEU 85 1HD2 LEU 85 -13.534 -0.143 -0.700 687 2HD2 LEU 85 2HD2 LEU 85 -12.554 0.363 -2.077 688 3HD2 LEU 85 3HD2 LEU 85 -13.010 1.535 -0.842 689 H PHE 86 H PHE 86 -9.475 -0.504 2.114 690 HA PHE 86 HA PHE 86 -11.152 -2.446 3.242 691 1HB PHE 86 2HB PHE 86 -9.521 -3.778 4.521 692 2HB PHE 86 1HB PHE 86 -9.313 -3.997 2.787 693 HD1 PHE 86 1HD PHE 86 -7.565 -2.267 1.716 694 HD2 PHE 86 2HD PHE 86 -7.639 -3.521 5.776 695 HE1 PHE 86 1HE PHE 86 -5.189 -1.682 1.932 696 HE2 PHE 86 2HE PHE 86 -5.265 -2.939 6.004 697 HZ PHE 86 HZ PHE 86 -4.033 -2.017 4.077 698 H LYS 87 H LYS 87 -11.936 -1.546 5.051 699 HA LYS 87 HA LYS 87 -10.436 0.659 6.231 700 1HB LYS 87 2HB LYS 87 -12.489 1.409 7.187 701 2HB LYS 87 1HB LYS 87 -12.792 1.003 5.510 702 1HG LYS 87 2HG LYS 87 -14.607 0.025 6.436 703 2HG LYS 87 1HG LYS 87 -13.474 -1.318 6.575 704 1HD LYS 87 2HD LYS 87 -14.375 -1.236 8.703 705 2HD LYS 87 1HD LYS 87 -12.922 -0.260 8.888 706 1HE LYS 87 2HE LYS 87 -15.694 0.812 8.383 707 2HE LYS 87 1HE LYS 87 -14.881 0.777 9.946 708 1HZ LYS 87 1HZ LYS 87 -14.141 2.360 7.554 709 2HZ LYS 87 2HZ LYS 87 -13.104 2.162 8.875 710 3HZ LYS 87 3HZ LYS 87 -14.596 2.931 9.081 711 H SER 88 H SER 88 -10.768 0.968 8.641 712 HA SER 88 HA SER 88 -10.822 -1.514 10.164 713 1HB SER 88 2HB SER 88 -8.461 -1.274 9.490 714 2HB SER 88 1HB SER 88 -8.435 0.350 10.180 715 HG SER 88 HG SER 88 -7.908 -1.893 11.414 716 H GLY 89 H GLY 89 -11.590 -1.232 12.187 717 1HA GLY 89 2HA GLY 89 -12.558 -0.193 13.990 718 2HA GLY 89 1HA GLY 89 -11.370 1.080 13.753 719 1H MET 1 1HT MET 1 22.624 -3.774 12.073 720 2H MET 1 2HT MET 1 22.390 -4.666 13.520 721 3H MET 1 3HT MET 1 23.561 -5.176 12.374 722 HA MET 1 HA MET 1 23.673 -2.564 13.701 723 1HB MET 1 2HB MET 1 23.600 -4.438 15.351 724 2HB MET 1 1HB MET 1 24.999 -5.147 14.558 725 1HG MET 1 2HG MET 1 26.330 -3.189 15.133 726 2HG MET 1 1HG MET 1 24.925 -2.453 15.899 727 1HE MET 1 1HE MET 1 27.499 -5.429 16.033 728 2HE MET 1 2HE MET 1 25.935 -6.244 15.979 729 3HE MET 1 3HE MET 1 26.917 -6.321 17.440 730 H CYS 2 H CYS 2 24.155 -2.859 11.040 731 HA CYS 2 HA CYS 2 26.799 -1.983 10.761 732 1HB CYS 2 2HB CYS 2 27.399 -4.326 11.165 733 2HB CYS 2 1HB CYS 2 26.347 -4.832 9.847 734 HG CYS 2 HG CYS 2 29.175 -3.771 9.560 735 H ASP 3 H ASP 3 27.000 -0.895 8.883 736 HA ASP 3 HA ASP 3 26.478 0.003 6.860 737 1HB ASP 3 2HB ASP 3 25.202 -2.696 6.368 738 2HB ASP 3 1HB ASP 3 25.538 -1.487 5.132 739 H ARG 4 H ARG 4 24.914 1.337 6.085 740 HA ARG 4 HA ARG 4 22.137 0.836 6.244 741 1HB ARG 4 2HB ARG 4 22.658 1.187 8.672 742 2HB ARG 4 1HB ARG 4 23.178 2.817 8.280 743 1HG ARG 4 2HG ARG 4 20.405 1.796 7.722 744 2HG ARG 4 1HG ARG 4 20.860 2.594 9.225 745 1HD ARG 4 2HD ARG 4 20.931 3.765 6.446 746 2HD ARG 4 1HD ARG 4 19.847 4.202 7.759 747 HE ARG 4 HE ARG 4 22.462 4.597 8.643 748 1HH1 ARG 4 1HH1 ARG 4 20.256 5.908 6.277 749 2HH1 ARG 4 2HH1 ARG 4 20.958 7.491 6.318 750 1HH2 ARG 4 1HH2 ARG 4 23.385 6.677 8.699 751 2HH2 ARG 4 2HH2 ARG 4 22.734 7.927 7.692 752 H LYS 5 H LYS 5 21.287 1.967 4.660 753 HA LYS 5 HA LYS 5 22.332 4.633 4.056 754 1HB LYS 5 2HB LYS 5 21.699 2.522 1.979 755 2HB LYS 5 1HB LYS 5 22.199 4.172 1.646 756 1HG LYS 5 2HG LYS 5 24.155 3.000 1.349 757 2HG LYS 5 1HG LYS 5 24.307 3.546 3.019 758 1HD LYS 5 2HD LYS 5 23.505 1.361 3.798 759 2HD LYS 5 1HD LYS 5 23.357 0.823 2.126 760 1HE LYS 5 2HE LYS 5 25.420 0.003 3.135 761 2HE LYS 5 1HE LYS 5 25.758 1.118 1.811 762 1HZ LYS 5 1HZ LYS 5 26.874 2.428 3.185 763 2HZ LYS 5 2HZ LYS 5 26.700 1.269 4.403 764 3HZ LYS 5 3HZ LYS 5 25.575 2.523 4.266 765 H ALA 6 H ALA 6 20.203 3.774 1.656 766 HA ALA 6 HA ALA 6 17.997 4.148 1.250 767 1HB ALA 6 1HB ALA 6 16.545 3.325 2.748 768 2HB ALA 6 2HB ALA 6 17.145 4.355 4.046 769 3HB ALA 6 3HB ALA 6 17.993 2.865 3.643 770 H VAL 7 H VAL 7 16.810 5.941 0.831 771 HA VAL 7 HA VAL 7 17.619 8.393 2.207 772 HB VAL 7 HB VAL 7 16.731 9.555 0.231 773 1HG1 VAL 7 1HG1 VAL 7 19.043 7.735 0.207 774 2HG1 VAL 7 2HG1 VAL 7 18.974 9.480 -0.035 775 3HG1 VAL 7 3HG1 VAL 7 18.564 8.390 -1.359 776 1HG2 VAL 7 1HG2 VAL 7 16.198 8.358 -1.790 777 2HG2 VAL 7 2HG2 VAL 7 15.169 7.777 -0.481 778 3HG2 VAL 7 3HG2 VAL 7 16.554 6.820 -1.005 779 H ILE 8 H ILE 8 16.170 9.676 3.163 780 HA ILE 8 HA ILE 8 13.472 8.640 3.509 781 HB ILE 8 HB ILE 8 14.971 10.852 4.911 782 1HG1 ILE 8 2HG1 ILE 8 14.724 9.364 6.872 783 2HG1 ILE 8 1HG1 ILE 8 13.916 8.177 5.856 784 1HG2 ILE 8 1HG2 ILE 8 12.849 11.717 5.050 785 2HG2 ILE 8 2HG2 ILE 8 12.872 10.670 6.470 786 3HG2 ILE 8 3HG2 ILE 8 12.080 10.132 4.992 787 1HD1 ILE 8 1HD1 ILE 8 15.887 7.705 4.669 788 2HD1 ILE 8 2HD1 ILE 8 16.349 7.769 6.370 789 3HD1 ILE 8 3HD1 ILE 8 16.704 9.132 5.307 790 H LYS 9 H LYS 9 11.597 9.774 3.057 791 HA LYS 9 HA LYS 9 11.872 12.261 1.526 792 1HB LYS 9 2HB LYS 9 10.222 9.873 0.684 793 2HB LYS 9 1HB LYS 9 10.192 11.446 -0.099 794 1HG LYS 9 2HG LYS 9 12.555 11.199 -0.682 795 2HG LYS 9 1HG LYS 9 12.574 9.614 0.094 796 1HD LYS 9 2HD LYS 9 12.327 9.399 -2.322 797 2HD LYS 9 1HD LYS 9 10.884 8.821 -1.490 798 1HE LYS 9 2HE LYS 9 10.305 10.164 -3.447 799 2HE LYS 9 1HE LYS 9 9.757 10.932 -1.958 800 1HZ LYS 9 1HZ LYS 9 12.310 11.642 -3.283 801 2HZ LYS 9 2HZ LYS 9 11.503 12.491 -2.064 802 3HZ LYS 9 3HZ LYS 9 10.852 12.430 -3.624 803 H ASN 10 H ASN 10 9.665 10.030 3.189 804 HA ASN 10 HA ASN 10 7.979 12.354 3.865 805 1HB ASN 10 2HB ASN 10 6.900 10.535 2.475 806 2HB ASN 10 1HB ASN 10 7.096 9.466 3.860 807 1HD2 ASN 10 1HD2 ASN 10 4.962 11.364 2.314 808 2HD2 ASN 10 2HD2 ASN 10 3.900 11.756 3.621 809 H ALA 11 H ALA 11 10.128 12.142 5.395 810 HA ALA 11 HA ALA 11 10.133 10.406 7.555 811 1HB ALA 11 1HB ALA 11 11.967 11.560 8.033 812 2HB ALA 11 2HB ALA 11 11.002 12.979 8.442 813 3HB ALA 11 3HB ALA 11 11.540 12.725 6.781 814 H ASP 12 H ASP 12 9.110 10.296 9.477 815 HA ASP 12 HA ASP 12 7.725 12.367 10.755 816 1HB ASP 12 2HB ASP 12 6.173 12.191 8.857 817 2HB ASP 12 1HB ASP 12 5.950 10.477 9.191 818 H MET 13 H MET 13 9.462 10.641 11.756 819 HA MET 13 HA MET 13 8.005 9.340 13.825 820 1HB MET 13 2HB MET 13 7.678 7.628 12.141 821 2HB MET 13 1HB MET 13 9.400 7.602 11.783 822 1HG MET 13 2HG MET 13 9.861 6.754 14.013 823 2HG MET 13 1HG MET 13 8.143 6.798 14.397 824 1HE MET 13 1HE MET 13 6.531 5.988 12.657 825 2HE MET 13 2HE MET 13 6.411 4.278 13.067 826 3HE MET 13 3HE MET 13 6.849 4.764 11.428 827 H SER 14 H SER 14 9.300 8.715 15.555 828 HA SER 14 HA SER 14 11.492 10.165 16.194 829 1HB SER 14 2HB SER 14 10.942 7.323 17.076 830 2HB SER 14 1HB SER 14 12.029 8.448 17.889 831 HG SER 14 HG SER 14 9.229 8.476 17.720 832 H GLU 15 H GLU 15 13.707 9.972 16.148 833 HA GLU 15 HA GLU 15 14.907 8.988 13.854 834 1HB GLU 15 2HB GLU 15 17.046 9.409 14.985 835 2HB GLU 15 1HB GLU 15 15.914 10.735 15.209 836 1HG GLU 15 2HG GLU 15 15.379 9.894 17.442 837 2HG GLU 15 1HG GLU 15 16.526 8.576 17.215 838 H GLU 16 H GLU 16 14.781 7.524 17.070 839 HA GLU 16 HA GLU 16 16.392 5.299 16.415 840 1HB GLU 16 2HB GLU 16 15.488 4.284 18.469 841 2HB GLU 16 1HB GLU 16 16.009 5.944 18.732 842 1HG GLU 16 2HG GLU 16 13.685 6.692 18.585 843 2HG GLU 16 1HG GLU 16 13.169 5.026 18.334 844 H MET 17 H MET 17 12.876 5.757 16.450 845 HA MET 17 HA MET 17 12.205 3.123 15.752 846 1HB MET 17 2HB MET 17 10.714 5.693 15.234 847 2HB MET 17 1HB MET 17 10.028 4.086 15.046 848 1HG MET 17 2HG MET 17 10.377 3.660 17.425 849 2HG MET 17 1HG MET 17 11.067 5.272 17.611 850 1HE MET 17 1HE MET 17 7.626 4.578 15.360 851 2HE MET 17 2HE MET 17 6.724 4.137 16.810 852 3HE MET 17 3HE MET 17 8.176 3.240 16.369 853 H GLN 18 H GLN 18 12.614 6.011 13.712 854 HA GLN 18 HA GLN 18 12.116 4.684 11.272 855 1HB GLN 18 2HB GLN 18 13.050 6.657 10.216 856 2HB GLN 18 1HB GLN 18 12.006 7.122 11.551 857 1HG GLN 18 2HG GLN 18 14.088 7.316 12.952 858 2HG GLN 18 1HG GLN 18 15.006 7.135 11.460 859 1HE2 GLN 18 1HE2 GLN 18 12.018 8.766 11.119 860 2HE2 GLN 18 2HE2 GLN 18 12.641 10.366 11.072 861 H GLN 19 H GLN 19 15.047 5.256 13.135 862 HA GLN 19 HA GLN 19 16.841 4.280 11.166 863 1HB GLN 19 2HB GLN 19 17.037 4.812 14.108 864 2HB GLN 19 1HB GLN 19 18.345 3.980 13.275 865 1HG GLN 19 2HG GLN 19 18.546 5.885 11.736 866 2HG GLN 19 1HG GLN 19 17.272 6.717 12.628 867 1HE2 GLN 19 1HE2 GLN 19 18.069 8.231 13.877 868 2HE2 GLN 19 2HE2 GLN 19 19.536 8.149 14.783 869 H ASP 20 H ASP 20 15.147 2.768 13.867 870 HA ASP 20 HA ASP 20 16.442 0.251 13.654 871 1HB ASP 20 2HB ASP 20 13.746 0.970 14.826 872 2HB ASP 20 1HB ASP 20 14.535 -0.593 15.014 873 H SER 21 H SER 21 13.566 1.624 12.171 874 HA SER 21 HA SER 21 12.651 -0.790 11.000 875 1HB SER 21 2HB SER 21 11.173 1.154 11.238 876 2HB SER 21 1HB SER 21 12.191 2.078 10.132 877 HG SER 21 HG SER 21 10.990 -0.367 9.378 878 H VAL 22 H VAL 22 14.750 1.818 9.890 879 HA VAL 22 HA VAL 22 15.129 0.881 7.260 880 HB VAL 22 HB VAL 22 17.060 2.495 8.933 881 1HG1 VAL 22 1HG1 VAL 22 16.985 2.996 6.067 882 2HG1 VAL 22 2HG1 VAL 22 17.475 1.349 6.463 883 3HG1 VAL 22 3HG1 VAL 22 18.362 2.717 7.133 884 1HG2 VAL 22 1HG2 VAL 22 14.474 3.178 8.104 885 2HG2 VAL 22 2HG2 VAL 22 15.567 4.013 7.000 886 3HG2 VAL 22 3HG2 VAL 22 15.718 4.254 8.740 887 H GLU 23 H GLU 23 17.072 0.459 10.198 888 HA GLU 23 HA GLU 23 19.007 -1.234 9.015 889 1HB GLU 23 2HB GLU 23 18.156 -0.930 11.900 890 2HB GLU 23 1HB GLU 23 19.553 -1.858 11.375 891 1HG GLU 23 2HG GLU 23 19.178 1.086 10.885 892 2HG GLU 23 1HG GLU 23 20.110 0.397 12.214 893 H CYS 24 H CYS 24 16.027 -1.818 10.787 894 HA CYS 24 HA CYS 24 16.189 -4.619 10.916 895 1HB CYS 24 2HB CYS 24 14.611 -3.289 12.257 896 2HB CYS 24 1HB CYS 24 13.727 -2.862 10.796 897 HG CYS 24 HG CYS 24 13.623 -5.588 12.226 898 H ALA 25 H ALA 25 15.079 -2.441 8.401 899 HA ALA 25 HA ALA 25 13.825 -4.403 6.778 900 1HB ALA 25 1HB ALA 25 15.027 -1.891 5.677 901 2HB ALA 25 2HB ALA 25 13.600 -1.822 6.712 902 3HB ALA 25 3HB ALA 25 13.549 -2.724 5.197 903 H THR 26 H THR 26 17.058 -3.042 6.991 904 HA THR 26 HA THR 26 18.128 -4.176 4.686 905 HB THR 26 HB THR 26 19.509 -3.547 7.299 906 HG1 THR 26 1HG THR 26 18.912 -1.627 6.628 907 1HG2 THR 26 1HG2 THR 26 21.408 -3.103 5.493 908 2HG2 THR 26 2HG2 THR 26 20.565 -4.427 4.686 909 3HG2 THR 26 3HG2 THR 26 21.210 -4.652 6.312 910 H GLN 27 H GLN 27 17.953 -5.391 7.991 911 HA GLN 27 HA GLN 27 19.326 -7.804 7.585 912 1HB GLN 27 2HB GLN 27 18.815 -6.903 9.815 913 2HB GLN 27 1HB GLN 27 17.099 -7.171 9.536 914 1HG GLN 27 2HG GLN 27 17.495 -9.570 9.391 915 2HG GLN 27 1HG GLN 27 19.214 -9.303 9.671 916 1HE2 GLN 27 1HE2 GLN 27 16.458 -10.241 11.114 917 2HE2 GLN 27 2HE2 GLN 27 16.806 -9.814 12.751 918 H ALA 28 H ALA 28 15.956 -6.878 7.190 919 HA ALA 28 HA ALA 28 14.801 -9.372 6.777 920 1HB ALA 28 1HB ALA 28 12.942 -8.232 6.171 921 2HB ALA 28 2HB ALA 28 13.823 -7.160 5.082 922 3HB ALA 28 3HB ALA 28 13.851 -6.867 6.819 923 H LEU 29 H LEU 29 16.317 -7.184 4.415 924 HA LEU 29 HA LEU 29 15.806 -8.790 2.163 925 1HB LEU 29 2HB LEU 29 17.860 -6.674 2.722 926 2HB LEU 29 1HB LEU 29 17.779 -7.502 1.177 927 HG LEU 29 HG LEU 29 15.439 -6.035 2.360 928 1HD1 LEU 29 1HD1 LEU 29 17.698 -4.746 1.722 929 2HD1 LEU 29 2HD1 LEU 29 16.096 -4.067 1.442 930 3HD1 LEU 29 3HD1 LEU 29 16.966 -4.849 0.121 931 1HD2 LEU 29 1HD2 LEU 29 14.664 -7.510 0.731 932 2HD2 LEU 29 2HD2 LEU 29 16.071 -7.255 -0.303 933 3HD2 LEU 29 3HD2 LEU 29 14.855 -5.987 -0.138 934 H GLU 30 H GLU 30 18.578 -8.596 4.334 935 HA GLU 30 HA GLU 30 20.200 -10.450 2.959 936 1HB GLU 30 2HB GLU 30 20.205 -9.696 5.886 937 2HB GLU 30 1HB GLU 30 21.490 -10.568 5.060 938 1HG GLU 30 2HG GLU 30 21.876 -8.637 3.616 939 2HG GLU 30 1HG GLU 30 20.588 -7.762 4.445 940 H LYS 31 H LYS 31 17.690 -10.826 5.381 941 HA LYS 31 HA LYS 31 18.275 -13.634 5.749 942 1HB LYS 31 2HB LYS 31 16.063 -11.899 6.845 943 2HB LYS 31 1HB LYS 31 16.314 -13.586 7.273 944 1HG LYS 31 2HG LYS 31 18.502 -13.033 8.199 945 2HG LYS 31 1HG LYS 31 18.260 -11.341 7.761 946 1HD LYS 31 2HD LYS 31 17.764 -11.712 10.122 947 2HD LYS 31 1HD LYS 31 16.311 -11.237 9.240 948 1HE LYS 31 2HE LYS 31 15.616 -13.578 9.120 949 2HE LYS 31 1HE LYS 31 17.075 -14.060 9.984 950 1HZ LYS 31 1HZ LYS 31 15.414 -13.973 11.599 951 2HZ LYS 31 2HZ LYS 31 14.760 -12.530 11.006 952 3HZ LYS 31 3HZ LYS 31 16.250 -12.517 11.805 953 H TYR 32 H TYR 32 15.762 -11.671 4.212 954 HA TYR 32 HA TYR 32 14.665 -14.152 3.079 955 1HB TYR 32 2HB TYR 32 13.256 -11.498 3.394 956 2HB TYR 32 1HB TYR 32 12.538 -13.004 2.828 957 HD1 TYR 32 1HD TYR 32 14.423 -11.703 5.783 958 HD2 TYR 32 2HD TYR 32 11.327 -14.245 4.355 959 HE1 TYR 32 1HE TYR 32 13.835 -12.280 8.101 960 HE2 TYR 32 2HE TYR 32 10.727 -14.826 6.668 961 HH TYR 32 HH TYR 32 10.971 -13.792 8.949 962 H ASN 33 H ASN 33 15.406 -10.773 2.291 963 HA ASN 33 HA ASN 33 16.027 -9.773 0.344 964 1HB ASN 33 2HB ASN 33 17.634 -11.640 0.155 965 2HB ASN 33 1HB ASN 33 16.412 -12.598 -0.673 966 1HD2 ASN 33 1HD2 ASN 33 16.668 -12.658 -2.772 967 2HD2 ASN 33 2HD2 ASN 33 17.314 -11.399 -3.763 968 H ILE 34 H ILE 34 13.336 -10.004 0.805 969 HA ILE 34 HA ILE 34 12.301 -9.900 -1.899 970 HB ILE 34 HB ILE 34 11.093 -11.774 0.138 971 1HG1 ILE 34 2HG1 ILE 34 12.426 -12.317 -2.524 972 2HG1 ILE 34 1HG1 ILE 34 13.065 -12.730 -0.936 973 1HG2 ILE 34 1HG2 ILE 34 9.171 -11.337 -0.911 974 2HG2 ILE 34 2HG2 ILE 34 9.843 -12.216 -2.284 975 3HG2 ILE 34 3HG2 ILE 34 9.984 -10.460 -2.206 976 1HD1 ILE 34 1HD1 ILE 34 10.753 -14.030 -0.787 977 2HD1 ILE 34 2HD1 ILE 34 12.204 -14.741 -1.495 978 3HD1 ILE 34 3HD1 ILE 34 10.963 -14.046 -2.538 979 H GLU 35 H GLU 35 11.044 -8.162 -2.037 980 HA GLU 35 HA GLU 35 10.527 -6.354 -0.075 981 1HB GLU 35 2HB GLU 35 8.720 -5.473 -1.505 982 2HB GLU 35 1HB GLU 35 10.174 -5.852 -2.417 983 1HG GLU 35 2HG GLU 35 9.160 -7.956 -3.149 984 2HG GLU 35 1HG GLU 35 7.696 -7.554 -2.251 985 H LYS 36 H LYS 36 8.383 -9.024 -1.021 986 HA LYS 36 HA LYS 36 6.228 -8.389 0.643 987 1HB LYS 36 2HB LYS 36 6.110 -10.071 -1.140 988 2HB LYS 36 1HB LYS 36 7.196 -11.114 -0.235 989 1HG LYS 36 2HG LYS 36 5.472 -11.133 1.599 990 2HG LYS 36 1HG LYS 36 4.381 -10.330 0.468 991 1HD LYS 36 2HD LYS 36 3.976 -12.714 0.434 992 2HD LYS 36 1HD LYS 36 4.679 -12.210 -1.103 993 1HE LYS 36 2HE LYS 36 6.866 -12.998 -0.377 994 2HE LYS 36 1HE LYS 36 6.193 -13.460 1.185 995 1HZ LYS 36 1HZ LYS 36 5.234 -14.583 -1.384 996 2HZ LYS 36 2HZ LYS 36 4.898 -15.140 0.178 997 3HZ LYS 36 3HZ LYS 36 6.455 -15.303 -0.461 998 H ASP 37 H ASP 37 8.797 -10.788 1.228 999 HA ASP 37 HA ASP 37 8.116 -11.466 3.819 1000 1HB ASP 37 2HB ASP 37 10.839 -11.392 2.519 1001 2HB ASP 37 1HB ASP 37 10.503 -12.159 4.067 1002 H ILE 38 H ILE 38 10.235 -8.824 2.740 1003 HA ILE 38 HA ILE 38 11.328 -7.996 5.112 1004 HB ILE 38 HB ILE 38 10.232 -6.201 2.937 1005 1HG1 ILE 38 2HG1 ILE 38 13.021 -7.298 3.342 1006 2HG1 ILE 38 1HG1 ILE 38 11.870 -7.888 2.155 1007 1HG2 ILE 38 1HG2 ILE 38 12.449 -5.537 4.855 1008 2HG2 ILE 38 2HG2 ILE 38 10.766 -5.116 5.171 1009 3HG2 ILE 38 3HG2 ILE 38 11.587 -4.460 3.758 1010 1HD1 ILE 38 1HD1 ILE 38 11.920 -5.262 1.539 1011 2HD1 ILE 38 2HD1 ILE 38 12.949 -6.483 0.789 1012 3HD1 ILE 38 3HD1 ILE 38 13.567 -5.503 2.119 1013 H ALA 39 H ALA 39 8.238 -6.838 3.785 1014 HA ALA 39 HA ALA 39 7.501 -5.358 6.072 1015 1HB ALA 39 1HB ALA 39 5.827 -6.443 3.814 1016 2HB ALA 39 2HB ALA 39 6.558 -4.841 3.920 1017 3HB ALA 39 3HB ALA 39 5.259 -5.293 5.024 1018 H ALA 40 H ALA 40 7.252 -8.728 5.318 1019 HA ALA 40 HA ALA 40 5.051 -9.364 6.976 1020 1HB ALA 40 1HB ALA 40 6.931 -11.537 6.765 1021 2HB ALA 40 2HB ALA 40 6.712 -10.735 5.209 1022 3HB ALA 40 3HB ALA 40 5.316 -11.374 6.076 1023 H HIS 41 H HIS 41 8.490 -10.125 7.550 1024 HA HIS 41 HA HIS 41 8.070 -10.741 10.272 1025 1HB HIS 41 2HB HIS 41 10.247 -11.384 10.286 1026 2HB HIS 41 1HB HIS 41 10.049 -11.279 8.543 1027 HD1 HIS 41 1HD HIS 41 11.318 -9.171 11.425 1028 HD2 HIS 41 2HD HIS 41 11.803 -9.590 7.321 1029 HE1 HIS 41 1HE HIS 41 13.217 -7.646 10.820 1030 HE2 HIS 41 2HE HIS 41 13.616 -8.062 8.373 1031 H ILE 42 H ILE 42 9.317 -7.831 8.664 1032 HA ILE 42 HA ILE 42 10.032 -6.427 10.979 1033 HB ILE 42 HB ILE 42 9.083 -5.319 8.332 1034 1HG1 ILE 42 2HG1 ILE 42 11.871 -5.807 9.386 1035 2HG1 ILE 42 1HG1 ILE 42 11.052 -6.797 8.184 1036 1HG2 ILE 42 1HG2 ILE 42 10.795 -3.475 9.371 1037 2HG2 ILE 42 2HG2 ILE 42 9.951 -4.033 10.817 1038 3HG2 ILE 42 3HG2 ILE 42 9.037 -3.378 9.457 1039 1HD1 ILE 42 1HD1 ILE 42 12.219 -5.488 6.781 1040 2HD1 ILE 42 2HD1 ILE 42 12.307 -4.148 7.926 1041 3HD1 ILE 42 3HD1 ILE 42 10.832 -4.421 6.999 1042 H LYS 43 H LYS 43 6.948 -6.516 9.212 1043 HA LYS 43 HA LYS 43 5.634 -4.564 10.743 1044 1HB LYS 43 2HB LYS 43 4.795 -5.376 8.583 1045 2HB LYS 43 1HB LYS 43 4.456 -6.944 9.297 1046 1HG LYS 43 2HG LYS 43 3.181 -4.428 10.321 1047 2HG LYS 43 1HG LYS 43 2.509 -5.336 8.968 1048 1HD LYS 43 2HD LYS 43 2.449 -7.350 10.450 1049 2HD LYS 43 1HD LYS 43 2.931 -6.312 11.791 1050 1HE LYS 43 2HE LYS 43 0.935 -4.954 11.480 1051 2HE LYS 43 1HE LYS 43 0.453 -5.960 10.115 1052 1HZ LYS 43 1HZ LYS 43 0.965 -7.359 12.608 1053 2HZ LYS 43 2HZ LYS 43 -0.255 -7.600 11.462 1054 3HZ LYS 43 3HZ LYS 43 -0.397 -6.355 12.599 1055 H LYS 44 H LYS 44 5.647 -8.123 11.081 1056 HA LYS 44 HA LYS 44 3.985 -8.138 13.364 1057 1HB LYS 44 2HB LYS 44 4.597 -10.439 13.643 1058 2HB LYS 44 1HB LYS 44 4.432 -10.124 11.923 1059 1HG LYS 44 2HG LYS 44 6.826 -10.038 11.663 1060 2HG LYS 44 1HG LYS 44 7.052 -10.209 13.405 1061 1HD LYS 44 2HD LYS 44 5.892 -12.412 13.268 1062 2HD LYS 44 1HD LYS 44 5.871 -12.240 11.511 1063 1HE LYS 44 2HE LYS 44 7.737 -13.637 12.249 1064 2HE LYS 44 1HE LYS 44 8.308 -12.158 11.481 1065 1HZ LYS 44 1HZ LYS 44 9.219 -13.040 13.811 1066 2HZ LYS 44 2HZ LYS 44 7.968 -12.045 14.364 1067 3HZ LYS 44 3HZ LYS 44 9.193 -11.401 13.391 1068 H GLU 45 H GLU 45 7.513 -8.054 13.022 1069 HA GLU 45 HA GLU 45 8.204 -8.434 15.689 1070 1HB GLU 45 2HB GLU 45 9.829 -8.381 13.832 1071 2HB GLU 45 1HB GLU 45 9.582 -6.647 13.676 1072 1HG GLU 45 2HG GLU 45 10.441 -6.330 15.948 1073 2HG GLU 45 1HG GLU 45 10.711 -8.067 16.076 1074 H PHE 46 H PHE 46 7.787 -5.317 13.995 1075 HA PHE 46 HA PHE 46 8.000 -3.727 16.309 1076 1HB PHE 46 2HB PHE 46 6.780 -3.238 13.603 1077 2HB PHE 46 1HB PHE 46 6.747 -2.022 14.870 1078 HD1 PHE 46 1HD PHE 46 9.168 -1.688 16.016 1079 HD2 PHE 46 2HD PHE 46 8.438 -3.023 12.043 1080 HE1 PHE 46 1HE PHE 46 11.395 -0.889 15.345 1081 HE2 PHE 46 2HE PHE 46 10.668 -2.232 11.363 1082 HZ PHE 46 HZ PHE 46 12.153 -1.159 13.012 1083 H ASP 47 H ASP 47 5.198 -5.065 14.622 1084 HA ASP 47 HA ASP 47 3.157 -3.879 16.057 1085 1HB ASP 47 2HB ASP 47 2.843 -5.250 14.025 1086 2HB ASP 47 1HB ASP 47 3.241 -6.693 14.952 1087 H LYS 48 H LYS 48 4.976 -6.817 16.780 1088 HA LYS 48 HA LYS 48 3.504 -7.413 19.149 1089 1HB LYS 48 2HB LYS 48 4.526 -9.197 17.893 1090 2HB LYS 48 1HB LYS 48 6.115 -8.463 18.063 1091 1HG LYS 48 2HG LYS 48 5.847 -10.360 19.551 1092 2HG LYS 48 1HG LYS 48 6.058 -8.861 20.456 1093 1HD LYS 48 2HD LYS 48 4.308 -10.248 21.449 1094 2HD LYS 48 1HD LYS 48 3.646 -8.736 20.826 1095 1HE LYS 48 2HE LYS 48 2.900 -9.899 18.806 1096 2HE LYS 48 1HE LYS 48 3.564 -11.409 19.429 1097 1HZ LYS 48 1HZ LYS 48 1.715 -10.053 21.197 1098 2HZ LYS 48 2HZ LYS 48 1.838 -11.694 20.811 1099 3HZ LYS 48 3HZ LYS 48 1.031 -10.638 19.765 1100 H LYS 49 H LYS 49 6.701 -6.021 18.513 1101 HA LYS 49 HA LYS 49 7.384 -5.749 21.262 1102 1HB LYS 49 2HB LYS 49 8.542 -4.390 18.830 1103 2HB LYS 49 1HB LYS 49 9.252 -4.361 20.439 1104 1HG LYS 49 2HG LYS 49 9.472 -6.816 20.349 1105 2HG LYS 49 1HG LYS 49 8.847 -6.783 18.700 1106 1HD LYS 49 2HD LYS 49 10.724 -5.420 17.987 1107 2HD LYS 49 1HD LYS 49 11.329 -5.350 19.643 1108 1HE LYS 49 2HE LYS 49 11.660 -7.767 19.633 1109 2HE LYS 49 1HE LYS 49 11.022 -7.857 17.993 1110 1HZ LYS 49 1HZ LYS 49 12.939 -7.119 17.120 1111 2HZ LYS 49 2HZ LYS 49 13.617 -7.645 18.577 1112 3HZ LYS 49 3HZ LYS 49 13.226 -6.012 18.367 1113 H TYR 50 H TYR 50 6.977 -3.150 18.891 1114 HA TYR 50 HA TYR 50 6.503 -1.212 20.918 1115 1HB TYR 50 2HB TYR 50 6.176 -1.044 17.924 1116 2HB TYR 50 1HB TYR 50 6.087 0.331 19.021 1117 HD1 TYR 50 1HD TYR 50 7.935 0.931 17.159 1118 HD2 TYR 50 2HD TYR 50 8.489 -1.832 20.347 1119 HE1 TYR 50 1HE TYR 50 10.368 1.214 16.978 1120 HE2 TYR 50 2HE TYR 50 10.918 -1.558 20.174 1121 HH TYR 50 HH TYR 50 12.536 0.044 19.347 1122 H ASN 51 H ASN 51 4.483 -3.472 19.476 1123 HA ASN 51 HA ASN 51 2.301 -3.935 20.056 1124 1HB ASN 51 2HB ASN 51 2.030 -1.018 20.827 1125 2HB ASN 51 1HB ASN 51 0.811 -2.265 21.048 1126 1HD2 ASN 51 1HD2 ASN 51 0.677 -2.979 23.031 1127 2HD2 ASN 51 2HD2 ASN 51 1.976 -3.116 24.163 1128 HA PRO 52 HA PRO 52 0.750 -3.109 16.059 1129 1HB PRO 52 2HB PRO 52 -1.937 -3.587 16.492 1130 2HB PRO 52 1HB PRO 52 -0.730 -4.848 16.239 1131 1HG PRO 52 2HG PRO 52 -1.879 -3.817 18.798 1132 2HG PRO 52 1HG PRO 52 -1.524 -5.488 18.321 1133 1HD PRO 52 2HD PRO 52 0.106 -4.120 19.954 1134 2HD PRO 52 1HD PRO 52 0.742 -5.259 18.749 1135 H THR 53 H THR 53 -1.381 -0.239 15.620 1136 HA THR 53 HA THR 53 -0.568 -2.914 14.714 1137 HB THR 53 HB THR 53 -2.992 -2.490 14.604 1138 HG1 THR 53 1HG THR 53 -1.849 -2.491 12.011 1139 1HG2 THR 53 1HG2 THR 53 -2.249 0.064 13.705 1140 2HG2 THR 53 2HG2 THR 53 -3.873 -0.586 13.925 1141 3HG2 THR 53 3HG2 THR 53 -3.070 -0.733 12.363 1142 H TRP 54 H TRP 54 0.950 -3.056 13.173 1143 HA TRP 54 HA TRP 54 1.881 -0.539 11.999 1144 1HB TRP 54 2HB TRP 54 3.270 -3.188 12.344 1145 2HB TRP 54 1HB TRP 54 3.970 -1.802 11.509 1146 HD1 TRP 54 HD TRP 54 2.299 -2.322 14.978 1147 HE1 TRP 54 1HE TRP 54 3.733 -1.099 16.725 1148 HE3 TRP 54 3HE TRP 54 5.882 -0.420 11.875 1149 HZ2 TRP 54 2HZ TRP 54 6.081 0.480 16.772 1150 HZ3 TRP 54 3HZ TRP 54 7.688 0.941 12.848 1151 HH2 TRP 54 HH TRP 54 7.783 1.383 15.246 1152 H HIS 55 H HIS 55 1.894 -0.130 9.925 1153 HA HIS 55 HA HIS 55 0.990 -2.238 8.076 1154 1HB HIS 55 2HB HIS 55 0.808 0.729 7.566 1155 2HB HIS 55 1HB HIS 55 -0.084 -0.570 6.782 1156 HD1 HIS 55 1HD HIS 55 -1.570 -1.987 8.815 1157 HD2 HIS 55 2HD HIS 55 -0.793 2.068 9.249 1158 HE1 HIS 55 1HE HIS 55 -3.303 -1.141 10.428 1159 HE2 HIS 55 2HE HIS 55 -2.869 1.334 10.609 1160 H CYS 56 H CYS 56 2.298 -2.692 6.312 1161 HA CYS 56 HA CYS 56 4.547 -0.885 5.803 1162 1HB CYS 56 2HB CYS 56 5.361 -2.559 7.402 1163 2HB CYS 56 1HB CYS 56 4.872 -3.846 6.305 1164 HG CYS 56 HG CYS 56 6.843 -2.030 4.944 1165 H ILE 57 H ILE 57 5.492 -1.022 3.786 1166 HA ILE 57 HA ILE 57 4.410 -2.870 1.814 1167 HB ILE 57 HB ILE 57 4.279 0.115 1.378 1168 1HG1 ILE 57 2HG1 ILE 57 2.037 -1.842 1.926 1169 2HG1 ILE 57 1HG1 ILE 57 2.601 -0.589 3.026 1170 1HG2 ILE 57 1HG2 ILE 57 3.843 -0.316 -0.767 1171 2HG2 ILE 57 2HG2 ILE 57 2.700 -1.592 -0.363 1172 3HG2 ILE 57 3HG2 ILE 57 4.423 -1.948 -0.453 1173 1HD1 ILE 57 1HD1 ILE 57 1.978 1.075 1.232 1174 2HD1 ILE 57 2HD1 ILE 57 0.645 0.241 2.029 1175 3HD1 ILE 57 3HD1 ILE 57 1.158 -0.258 0.418 1176 H VAL 58 H VAL 58 5.835 -3.232 0.114 1177 HA VAL 58 HA VAL 58 8.165 -1.518 -0.177 1178 HB VAL 58 HB VAL 58 8.471 -4.462 0.427 1179 1HG1 VAL 58 1HG1 VAL 58 10.835 -4.094 0.305 1180 2HG1 VAL 58 2HG1 VAL 58 10.603 -2.363 0.067 1181 3HG1 VAL 58 3HG1 VAL 58 10.107 -3.500 -1.186 1182 1HG2 VAL 58 1HG2 VAL 58 7.998 -3.478 2.492 1183 2HG2 VAL 58 2HG2 VAL 58 8.890 -2.008 2.100 1184 3HG2 VAL 58 3HG2 VAL 58 9.761 -3.505 2.428 1185 H GLY 59 H GLY 59 8.875 -1.420 -2.223 1186 1HA GLY 59 2HA GLY 59 8.819 -3.478 -4.117 1187 2HA GLY 59 1HA GLY 59 7.349 -2.536 -4.313 1188 H ARG 60 H ARG 60 7.598 -1.291 -6.045 1189 HA ARG 60 HA ARG 60 9.450 0.840 -6.081 1190 1HB ARG 60 2HB ARG 60 10.803 0.160 -8.036 1191 2HB ARG 60 1HB ARG 60 11.091 -0.855 -6.630 1192 1HG ARG 60 2HG ARG 60 9.675 -2.591 -7.566 1193 2HG ARG 60 1HG ARG 60 9.315 -1.566 -8.956 1194 1HD ARG 60 2HD ARG 60 11.647 -1.590 -9.614 1195 2HD ARG 60 1HD ARG 60 12.067 -2.534 -8.185 1196 HE ARG 60 HE ARG 60 11.087 -3.535 -10.640 1197 1HH1 ARG 60 1HH1 ARG 60 10.866 -4.040 -7.193 1198 2HH1 ARG 60 2HH1 ARG 60 10.419 -5.706 -7.341 1199 1HH2 ARG 60 1HH2 ARG 60 10.506 -5.727 -10.834 1200 2HH2 ARG 60 2HH2 ARG 60 10.217 -6.665 -9.407 1201 H ASN 61 H ASN 61 6.656 0.408 -6.454 1202 HA ASN 61 HA ASN 61 5.987 2.190 -8.408 1203 1HB ASN 61 2HB ASN 61 6.883 0.596 -10.069 1204 2HB ASN 61 1HB ASN 61 5.783 -0.639 -9.478 1205 1HD2 ASN 61 1HD2 ASN 61 4.368 2.451 -9.466 1206 2HD2 ASN 61 2HD2 ASN 61 3.487 2.306 -10.941 1207 H PHE 62 H PHE 62 4.655 2.532 -6.501 1208 HA PHE 62 HA PHE 62 2.098 1.195 -6.763 1209 1HB PHE 62 2HB PHE 62 1.979 0.454 -4.455 1210 2HB PHE 62 1HB PHE 62 3.369 -0.275 -5.247 1211 HD1 PHE 62 1HD PHE 62 5.602 1.153 -5.004 1212 HD2 PHE 62 2HD PHE 62 2.285 1.301 -2.344 1213 HE1 PHE 62 1HE PHE 62 7.070 2.015 -3.228 1214 HE2 PHE 62 2HE PHE 62 3.748 2.161 -0.561 1215 HZ PHE 62 HZ PHE 62 6.143 2.517 -1.001 1216 H GLY 63 H GLY 63 0.484 2.520 -6.397 1217 1HA GLY 63 2HA GLY 63 1.022 5.073 -5.012 1218 2HA GLY 63 1HA GLY 63 -0.279 4.803 -6.170 1219 H SER 64 H SER 64 -0.185 5.614 -3.143 1220 HA SER 64 HA SER 64 -2.517 4.051 -2.487 1221 1HB SER 64 2HB SER 64 -1.583 3.026 -0.437 1222 2HB SER 64 1HB SER 64 -0.838 2.417 -1.915 1223 HG SER 64 HG SER 64 0.989 3.055 -1.129 1224 H TYR 65 H TYR 65 -3.440 4.472 -0.411 1225 HA TYR 65 HA TYR 65 -2.667 6.993 0.860 1226 1HB TYR 65 2HB TYR 65 -5.376 6.296 -0.257 1227 2HB TYR 65 1HB TYR 65 -5.195 7.462 1.050 1228 HD1 TYR 65 1HD TYR 65 -3.746 6.753 -2.327 1229 HD2 TYR 65 2HD TYR 65 -5.039 9.676 0.479 1230 HE1 TYR 65 1HE TYR 65 -3.286 8.525 -3.964 1231 HE2 TYR 65 2HE TYR 65 -4.584 11.456 -1.148 1232 HH TYR 65 HH TYR 65 -4.350 11.750 -3.539 1233 H VAL 66 H VAL 66 -3.108 7.090 3.052 1234 HA VAL 66 HA VAL 66 -4.628 5.021 4.387 1235 HB VAL 66 HB VAL 66 -1.684 5.264 4.995 1236 1HG1 VAL 66 1HG1 VAL 66 -2.817 4.583 6.934 1237 2HG1 VAL 66 2HG1 VAL 66 -2.188 3.094 6.230 1238 3HG1 VAL 66 3HG1 VAL 66 -3.887 3.511 6.035 1239 1HG2 VAL 66 1HG2 VAL 66 -1.485 2.976 4.026 1240 2HG2 VAL 66 2HG2 VAL 66 -1.856 4.222 2.836 1241 3HG2 VAL 66 3HG2 VAL 66 -3.127 3.141 3.408 1242 H THR 67 H THR 67 -4.721 5.382 6.737 1243 HA THR 67 HA THR 67 -4.224 8.213 7.435 1244 HB THR 67 HB THR 67 -6.277 6.243 8.499 1245 HG1 THR 67 1HG THR 67 -7.736 7.747 7.560 1246 1HG2 THR 67 1HG2 THR 67 -6.377 9.127 9.185 1247 2HG2 THR 67 2HG2 THR 67 -5.310 8.072 10.109 1248 3HG2 THR 67 3HG2 THR 67 -7.039 7.734 10.037 1249 H HIS 68 H HIS 68 -3.062 8.671 9.285 1250 HA HIS 68 HA HIS 68 -2.379 6.569 11.160 1251 1HB HIS 68 2HB HIS 68 0.059 6.812 10.748 1252 2HB HIS 68 1HB HIS 68 -0.802 6.140 9.362 1253 HD1 HIS 68 1HD HIS 68 0.802 9.338 10.542 1254 HD2 HIS 68 2HD HIS 68 -0.729 7.664 7.063 1255 HE1 HIS 68 1HE HIS 68 1.392 10.948 8.707 1256 HE2 HIS 68 2HE HIS 68 0.361 9.972 6.631 1257 H GLU 69 H GLU 69 -1.888 7.362 13.134 1258 HA GLU 69 HA GLU 69 -2.366 10.034 13.790 1259 1HB GLU 69 2HB GLU 69 -1.514 9.492 15.998 1260 2HB GLU 69 1HB GLU 69 -2.497 8.163 15.398 1261 1HG GLU 69 2HG GLU 69 -0.489 6.931 14.793 1262 2HG GLU 69 1HG GLU 69 0.509 8.272 15.357 1263 H THR 70 H THR 70 -0.988 11.737 14.404 1264 HA THR 70 HA THR 70 1.239 12.165 12.790 1265 HB THR 70 HB THR 70 1.714 14.103 14.246 1266 HG1 THR 70 1HG THR 70 0.360 14.439 16.046 1267 1HG2 THR 70 1HG2 THR 70 0.115 15.204 13.201 1268 2HG2 THR 70 2HG2 THR 70 -1.097 14.528 14.291 1269 3HG2 THR 70 3HG2 THR 70 -0.666 13.671 12.809 1270 H LYS 71 H LYS 71 3.456 12.235 13.194 1271 HA LYS 71 HA LYS 71 5.452 11.507 13.997 1272 1HB LYS 71 2HB LYS 71 3.939 11.323 16.610 1273 2HB LYS 71 1HB LYS 71 5.680 11.143 16.447 1274 1HG LYS 71 2HG LYS 71 4.083 13.611 15.801 1275 2HG LYS 71 1HG LYS 71 5.111 13.365 17.214 1276 1HD LYS 71 2HD LYS 71 7.061 13.133 15.750 1277 2HD LYS 71 1HD LYS 71 6.031 13.382 14.340 1278 1HE LYS 71 2HE LYS 71 7.199 15.436 14.942 1279 2HE LYS 71 1HE LYS 71 5.458 15.614 15.144 1280 1HZ LYS 71 1HZ LYS 71 5.648 15.831 17.364 1281 2HZ LYS 71 2HZ LYS 71 7.222 16.324 16.993 1282 3HZ LYS 71 3HZ LYS 71 6.930 14.733 17.490 1283 H HIS 72 H HIS 72 3.646 9.695 12.782 1284 HA HIS 72 HA HIS 72 4.827 7.212 13.685 1285 1HB HIS 72 2HB HIS 72 1.828 7.605 13.683 1286 2HB HIS 72 1HB HIS 72 2.617 6.036 13.769 1287 HD1 HIS 72 1HD HIS 72 2.536 9.282 15.761 1288 HD2 HIS 72 2HD HIS 72 3.081 5.202 16.290 1289 HE1 HIS 72 1HE HIS 72 2.747 8.952 18.243 1290 HE2 HIS 72 2HE HIS 72 2.984 6.463 18.546 1291 H PHE 73 H PHE 73 5.741 7.878 11.519 1292 HA PHE 73 HA PHE 73 4.752 6.184 9.528 1293 1HB PHE 73 2HB PHE 73 2.974 7.856 9.298 1294 2HB PHE 73 1HB PHE 73 4.182 9.111 9.037 1295 HD1 PHE 73 1HD PHE 73 5.804 8.709 7.028 1296 HD2 PHE 73 2HD PHE 73 2.025 6.806 7.486 1297 HE1 PHE 73 1HE PHE 73 5.749 8.247 4.613 1298 HE2 PHE 73 2HE PHE 73 1.963 6.343 5.071 1299 HZ PHE 73 HZ PHE 73 3.827 7.062 3.631 1300 H ILE 74 H ILE 74 6.205 5.898 7.860 1301 HA ILE 74 HA ILE 74 8.344 7.811 7.472 1302 HB ILE 74 HB ILE 74 9.223 6.610 9.368 1303 1HG1 ILE 74 2HG1 ILE 74 10.532 5.709 6.791 1304 2HG1 ILE 74 1HG1 ILE 74 10.832 7.227 7.632 1305 1HG2 ILE 74 1HG2 ILE 74 8.416 4.552 9.692 1306 2HG2 ILE 74 2HG2 ILE 74 9.714 4.023 8.625 1307 3HG2 ILE 74 3HG2 ILE 74 8.100 4.305 7.977 1308 1HD1 ILE 74 1HD1 ILE 74 11.442 5.576 9.606 1309 2HD1 ILE 74 2HD1 ILE 74 12.610 6.035 8.367 1310 3HD1 ILE 74 3HD1 ILE 74 11.764 4.491 8.255 1311 H TYR 75 H TYR 75 9.049 7.803 5.459 1312 HA TYR 75 HA TYR 75 8.687 5.412 3.783 1313 1HB TYR 75 2HB TYR 75 6.891 7.003 3.224 1314 2HB TYR 75 1HB TYR 75 8.089 8.267 2.965 1315 HD1 TYR 75 1HD TYR 75 9.946 7.677 1.174 1316 HD2 TYR 75 2HD TYR 75 6.118 5.831 1.386 1317 HE1 TYR 75 1HE TYR 75 10.145 7.009 -1.180 1318 HE2 TYR 75 2HE TYR 75 6.306 5.161 -0.973 1319 HH TYR 75 HH TYR 75 9.275 5.594 -2.776 1320 H PHE 76 H PHE 76 10.466 4.928 2.551 1321 HA PHE 76 HA PHE 76 12.384 6.877 1.774 1322 1HB PHE 76 2HB PHE 76 14.251 6.094 3.196 1323 2HB PHE 76 1HB PHE 76 12.956 6.835 4.130 1324 HD1 PHE 76 1HD PHE 76 11.113 5.054 4.941 1325 HD2 PHE 76 2HD PHE 76 15.170 4.178 4.017 1326 HE1 PHE 76 1HE PHE 76 10.992 3.038 6.343 1327 HE2 PHE 76 2HE PHE 76 15.059 2.159 5.418 1328 HZ PHE 76 HZ PHE 76 12.966 1.587 6.583 1329 H TYR 77 H TYR 77 13.626 6.162 0.154 1330 HA TYR 77 HA TYR 77 13.165 3.550 -0.917 1331 1HB TYR 77 2HB TYR 77 14.986 5.817 -1.724 1332 2HB TYR 77 1HB TYR 77 14.950 4.284 -2.588 1333 HD1 TYR 77 1HD TYR 77 12.464 3.508 -3.233 1334 HD2 TYR 77 2HD TYR 77 13.691 7.526 -2.567 1335 HE1 TYR 77 1HE TYR 77 10.571 4.301 -4.585 1336 HE2 TYR 77 2HE TYR 77 11.799 8.333 -3.917 1337 HH TYR 77 HH TYR 77 9.480 7.421 -4.567 1338 H LEU 78 H LEU 78 14.686 1.869 -1.200 1339 HA LEU 78 HA LEU 78 17.322 1.984 -0.146 1340 1HB LEU 78 2HB LEU 78 15.680 1.919 1.885 1341 2HB LEU 78 1HB LEU 78 15.524 0.224 1.474 1342 HG LEU 78 HG LEU 78 18.140 1.579 2.125 1343 1HD1 LEU 78 1HD1 LEU 78 16.473 -0.241 3.850 1344 2HD1 LEU 78 2HD1 LEU 78 16.562 1.512 4.028 1345 3HD1 LEU 78 3HD1 LEU 78 18.003 0.525 4.277 1346 1HD2 LEU 78 1HD2 LEU 78 18.843 -0.248 0.976 1347 2HD2 LEU 78 2HD2 LEU 78 17.362 -1.153 1.284 1348 3HD2 LEU 78 3HD2 LEU 78 18.588 -1.011 2.545 1349 H GLY 79 H GLY 79 18.527 0.294 -0.883 1350 1HA GLY 79 2HA GLY 79 19.057 -1.545 -2.150 1351 2HA GLY 79 1HA GLY 79 17.676 -2.308 -1.376 1352 H GLN 80 H GLN 80 17.688 0.489 -3.527 1353 HA GLN 80 HA GLN 80 16.627 0.904 -5.486 1354 1HB GLN 80 2HB GLN 80 17.205 -2.027 -5.940 1355 2HB GLN 80 1HB GLN 80 16.640 -0.920 -7.182 1356 1HG GLN 80 2HG GLN 80 19.017 -1.233 -7.375 1357 2HG GLN 80 1HG GLN 80 18.671 0.424 -6.886 1358 1HE2 GLN 80 1HE2 GLN 80 20.020 1.164 -5.428 1359 2HE2 GLN 80 2HE2 GLN 80 20.788 0.248 -4.182 1360 H VAL 81 H VAL 81 15.000 0.282 -3.229 1361 HA VAL 81 HA VAL 81 12.529 -0.269 -4.604 1362 HB VAL 81 HB VAL 81 11.793 -2.070 -3.086 1363 1HG1 VAL 81 1HG1 VAL 81 14.319 -2.854 -4.528 1364 2HG1 VAL 81 2HG1 VAL 81 12.785 -2.527 -5.335 1365 3HG1 VAL 81 3HG1 VAL 81 12.913 -3.863 -4.191 1366 1HG2 VAL 81 1HG2 VAL 81 13.410 -1.521 -1.260 1367 2HG2 VAL 81 2HG2 VAL 81 14.674 -2.277 -2.230 1368 3HG2 VAL 81 3HG2 VAL 81 13.311 -3.236 -1.657 1369 H ALA 82 H ALA 82 10.870 0.800 -3.688 1370 HA ALA 82 HA ALA 82 11.395 2.632 -1.583 1371 1HB ALA 82 1HB ALA 82 9.673 3.668 -2.519 1372 2HB ALA 82 2HB ALA 82 8.591 2.375 -2.003 1373 3HB ALA 82 3HB ALA 82 9.407 2.273 -3.565 1374 H ILE 83 H ILE 83 10.899 2.580 0.539 1375 HA ILE 83 HA ILE 83 9.569 0.153 1.557 1376 HB ILE 83 HB ILE 83 11.751 1.747 2.911 1377 1HG1 ILE 83 2HG1 ILE 83 11.789 -1.014 1.672 1378 2HG1 ILE 83 1HG1 ILE 83 12.600 0.415 1.040 1379 1HG2 ILE 83 1HG2 ILE 83 11.712 -0.017 4.605 1380 2HG2 ILE 83 2HG2 ILE 83 10.358 -0.785 3.775 1381 3HG2 ILE 83 3HG2 ILE 83 10.156 0.809 4.501 1382 1HD1 ILE 83 1HD1 ILE 83 14.080 -1.181 2.241 1383 2HD1 ILE 83 2HD1 ILE 83 13.200 -0.802 3.722 1384 3HD1 ILE 83 3HD1 ILE 83 14.104 0.459 2.887 1385 H LEU 84 H LEU 84 8.025 0.385 3.127 1386 HA LEU 84 HA LEU 84 7.491 3.065 4.177 1387 1HB LEU 84 2HB LEU 84 6.085 2.844 2.200 1388 2HB LEU 84 1HB LEU 84 5.453 1.320 2.793 1389 HG LEU 84 HG LEU 84 4.421 2.516 4.701 1390 1HD1 LEU 84 1HD1 LEU 84 6.117 4.432 4.528 1391 2HD1 LEU 84 2HD1 LEU 84 4.447 4.834 4.924 1392 3HD1 LEU 84 3HD1 LEU 84 5.048 5.081 3.284 1393 1HD2 LEU 84 1HD2 LEU 84 2.799 2.233 3.150 1394 2HD2 LEU 84 2HD2 LEU 84 3.737 2.996 1.867 1395 3HD2 LEU 84 3HD2 LEU 84 2.905 3.992 3.061 1396 H LEU 85 H LEU 85 6.664 3.108 6.218 1397 HA LEU 85 HA LEU 85 5.517 0.769 7.443 1398 1HB LEU 85 2HB LEU 85 7.919 0.268 7.604 1399 2HB LEU 85 1HB LEU 85 8.181 1.797 8.423 1400 HG LEU 85 HG LEU 85 6.754 1.018 10.289 1401 1HD1 LEU 85 1HD1 LEU 85 6.481 -1.343 8.500 1402 2HD1 LEU 85 2HD1 LEU 85 5.276 -0.544 9.509 1403 3HD1 LEU 85 3HD1 LEU 85 6.489 -1.591 10.246 1404 1HD2 LEU 85 1HD2 LEU 85 9.169 0.753 10.415 1405 2HD2 LEU 85 2HD2 LEU 85 9.057 -0.801 9.588 1406 3HD2 LEU 85 3HD2 LEU 85 8.354 -0.603 11.194 1407 H PHE 86 H PHE 86 4.289 1.271 9.212 1408 HA PHE 86 HA PHE 86 4.605 3.531 10.847 1409 1HB PHE 86 2HB PHE 86 2.772 4.954 10.042 1410 2HB PHE 86 1HB PHE 86 4.035 4.790 8.828 1411 HD1 PHE 86 1HD PHE 86 3.644 2.813 7.112 1412 HD2 PHE 86 2HD PHE 86 0.595 4.736 9.371 1413 HE1 PHE 86 1HE PHE 86 1.975 2.088 5.462 1414 HE2 PHE 86 2HE PHE 86 -1.081 4.014 7.725 1415 HZ PHE 86 HZ PHE 86 -0.391 2.688 5.764 1416 H LYS 87 H LYS 87 3.393 3.272 12.655 1417 HA LYS 87 HA LYS 87 1.395 1.142 12.579 1418 1HB LYS 87 2HB LYS 87 1.650 0.946 14.967 1419 2HB LYS 87 1HB LYS 87 3.232 0.920 14.211 1420 1HG LYS 87 2HG LYS 87 3.660 3.180 14.880 1421 2HG LYS 87 1HG LYS 87 2.010 3.355 15.483 1422 1HD LYS 87 2HD LYS 87 2.436 1.627 17.160 1423 2HD LYS 87 1HD LYS 87 4.080 1.436 16.553 1424 1HE LYS 87 2HE LYS 87 4.555 3.770 17.144 1425 2HE LYS 87 1HE LYS 87 2.916 3.935 17.773 1426 1HZ LYS 87 1HZ LYS 87 5.223 2.840 19.028 1427 2HZ LYS 87 2HZ LYS 87 3.953 1.724 19.029 1428 3HZ LYS 87 3HZ LYS 87 3.728 3.257 19.706 1429 H SER 88 H SER 88 -0.672 1.371 13.293 1430 HA SER 88 HA SER 88 -1.580 4.132 13.714 1431 1HB SER 88 2HB SER 88 -2.460 3.126 11.657 1432 2HB SER 88 1HB SER 88 -3.100 1.771 12.585 1433 HG SER 88 HG SER 88 -4.420 3.305 13.703 1434 H GLY 89 H GLY 89 -2.629 4.630 15.550 1435 1HA GLY 89 2HA GLY 89 -3.531 4.407 17.647 1436 2HA GLY 89 1HA GLY 89 -4.234 2.906 17.064 1437 1H MET 1 1HT MET 1 -10.315 -9.913 12.762 1438 2H MET 1 2HT MET 1 -10.738 -8.368 13.373 1439 3H MET 1 3HT MET 1 -9.793 -9.442 14.325 1440 HA MET 1 HA MET 1 -9.057 -7.738 12.109 1441 1HB MET 1 2HB MET 1 -7.756 -8.754 14.640 1442 2HB MET 1 1HB MET 1 -6.929 -7.728 13.480 1443 1HG MET 1 2HG MET 1 -7.708 -6.349 15.243 1444 2HG MET 1 1HG MET 1 -8.704 -6.019 13.828 1445 1HE MET 1 1HE MET 1 -10.161 -5.467 17.268 1446 2HE MET 1 2HE MET 1 -11.341 -5.221 15.980 1447 3HE MET 1 3HE MET 1 -9.660 -4.744 15.738 1448 H LYS 2 H LYS 2 -7.572 -8.240 10.566 1449 HA LYS 2 HA LYS 2 -6.160 -10.762 10.612 1450 1HB LYS 2 2HB LYS 2 -8.183 -10.175 8.442 1451 2HB LYS 2 1HB LYS 2 -7.038 -11.510 8.429 1452 1HG LYS 2 2HG LYS 2 -8.096 -12.437 10.427 1453 2HG LYS 2 1HG LYS 2 -9.243 -11.099 10.439 1454 1HD LYS 2 2HD LYS 2 -10.235 -13.086 9.433 1455 2HD LYS 2 1HD LYS 2 -10.074 -11.793 8.242 1456 1HE LYS 2 2HE LYS 2 -8.043 -12.838 7.377 1457 2HE LYS 2 1HE LYS 2 -8.185 -14.121 8.578 1458 1HZ LYS 2 1HZ LYS 2 -9.148 -15.084 6.752 1459 2HZ LYS 2 2HZ LYS 2 -9.808 -13.636 6.178 1460 3HZ LYS 2 3HZ LYS 2 -10.515 -14.421 7.498 1461 H ASP 3 H ASP 3 -4.227 -10.541 9.692 1462 HA ASP 3 HA ASP 3 -3.552 -8.023 8.489 1463 1HB ASP 3 2HB ASP 3 -1.249 -8.903 8.473 1464 2HB ASP 3 1HB ASP 3 -2.004 -9.057 10.055 1465 H THR 4 H THR 4 -3.765 -7.588 6.400 1466 HA THR 4 HA THR 4 -4.182 -9.636 4.446 1467 HB THR 4 HB THR 4 -5.263 -7.390 4.362 1468 HG1 THR 4 1HG THR 4 -4.978 -8.657 2.448 1469 1HG2 THR 4 1HG2 THR 4 -2.743 -6.253 3.254 1470 2HG2 THR 4 2HG2 THR 4 -3.049 -6.200 4.991 1471 3HG2 THR 4 3HG2 THR 4 -4.176 -5.432 3.874 1472 H GLY 5 H GLY 5 -2.773 -10.353 2.867 1473 1HA GLY 5 2HA GLY 5 -0.048 -9.233 2.903 1474 2HA GLY 5 1HA GLY 5 -0.281 -10.964 3.092 1475 H ILE 6 H ILE 6 0.873 -9.001 0.956 1476 HA ILE 6 HA ILE 6 0.064 -10.652 -1.273 1477 HB ILE 6 HB ILE 6 -0.599 -8.809 -2.735 1478 1HG1 ILE 6 2HG1 ILE 6 -0.561 -7.096 -0.242 1479 2HG1 ILE 6 1HG1 ILE 6 0.649 -7.026 -1.521 1480 1HG2 ILE 6 1HG2 ILE 6 -2.273 -8.831 -0.230 1481 2HG2 ILE 6 2HG2 ILE 6 -2.286 -10.103 -1.452 1482 3HG2 ILE 6 3HG2 ILE 6 -2.813 -8.473 -1.871 1483 1HD1 ILE 6 1HD1 ILE 6 -2.252 -6.283 -1.684 1484 2HD1 ILE 6 2HD1 ILE 6 -1.222 -6.477 -3.102 1485 3HD1 ILE 6 3HD1 ILE 6 -0.843 -5.245 -1.897 1486 H GLN 7 H GLN 7 1.194 -9.925 -3.320 1487 HA GLN 7 HA GLN 7 3.621 -8.407 -3.001 1488 1HB GLN 7 2HB GLN 7 4.300 -10.560 -2.048 1489 2HB GLN 7 1HB GLN 7 3.762 -11.387 -3.504 1490 1HG GLN 7 2HG GLN 7 5.451 -10.118 -4.794 1491 2HG GLN 7 1HG GLN 7 6.028 -9.418 -3.282 1492 1HE2 GLN 7 1HE2 GLN 7 6.651 -11.717 -5.488 1493 2HE2 GLN 7 2HE2 GLN 7 7.502 -12.860 -4.512 1494 H VAL 8 H VAL 8 2.128 -7.401 -4.645 1495 HA VAL 8 HA VAL 8 1.740 -8.648 -7.163 1496 HB VAL 8 HB VAL 8 1.693 -5.700 -6.507 1497 1HG1 VAL 8 1HG1 VAL 8 1.816 -5.921 -8.855 1498 2HG1 VAL 8 2HG1 VAL 8 0.113 -5.656 -8.481 1499 3HG1 VAL 8 3HG1 VAL 8 0.690 -7.278 -8.861 1500 1HG2 VAL 8 1HG2 VAL 8 0.149 -7.423 -5.264 1501 2HG2 VAL 8 2HG2 VAL 8 -0.759 -7.365 -6.773 1502 3HG2 VAL 8 3HG2 VAL 8 -0.492 -5.888 -5.848 1503 H ASP 9 H ASP 9 2.828 -8.461 -9.066 1504 HA ASP 9 HA ASP 9 4.925 -6.689 -9.629 1505 1HB ASP 9 1HB ASP 9 5.846 -9.450 -8.793 1506 2HB ASP 9 2HB ASP 9 6.110 -7.972 -7.874 1507 H ARG 10 H ARG 10 2.671 -7.656 -10.936 1508 HA ARG 10 HA ARG 10 3.588 -9.578 -12.916 1509 1HB ARG 10 2HB ARG 10 1.298 -9.458 -13.800 1510 2HB ARG 10 1HB ARG 10 1.316 -9.816 -12.080 1511 1HG ARG 10 2HG ARG 10 0.665 -7.586 -11.536 1512 2HG ARG 10 1HG ARG 10 0.865 -7.064 -13.208 1513 1HD ARG 10 2HD ARG 10 -0.919 -8.714 -13.834 1514 2HD ARG 10 1HD ARG 10 -1.198 -8.964 -12.111 1515 HE ARG 10 HE ARG 10 -1.342 -6.226 -12.604 1516 1HH1 ARG 10 1HH1 ARG 10 -3.089 -9.133 -13.424 1517 2HH1 ARG 10 2HH1 ARG 10 -4.607 -8.318 -13.609 1518 1HH2 ARG 10 1HH2 ARG 10 -3.335 -5.151 -12.853 1519 2HH2 ARG 10 2HH2 ARG 10 -4.746 -6.057 -13.285 1520 H ASP 11 H ASP 11 2.585 -6.196 -12.766 1521 HA ASP 11 HA ASP 11 2.889 -4.446 -14.193 1522 1HB ASP 11 2HB ASP 11 5.170 -6.148 -15.206 1523 2HB ASP 11 1HB ASP 11 4.947 -4.435 -15.550 1524 H LEU 12 H LEU 12 1.022 -6.456 -14.924 1525 HA LEU 12 HA LEU 12 -0.367 -6.956 -16.642 1526 1HB LEU 12 2HB LEU 12 1.302 -4.926 -18.121 1527 2HB LEU 12 1HB LEU 12 -0.143 -5.673 -18.770 1528 HG LEU 12 HG LEU 12 -1.468 -4.675 -16.947 1529 1HD1 LEU 12 1HD1 LEU 12 1.202 -3.570 -16.146 1530 2HD1 LEU 12 2HD1 LEU 12 0.024 -4.437 -15.161 1531 3HD1 LEU 12 3HD1 LEU 12 -0.308 -2.786 -15.686 1532 1HD2 LEU 12 1HD2 LEU 12 -0.818 -2.190 -17.686 1533 2HD2 LEU 12 2HD2 LEU 12 -1.687 -3.306 -18.738 1534 3HD2 LEU 12 3HD2 LEU 12 0.053 -3.091 -18.926 1535 H ASP 13 H ASP 13 3.072 -6.941 -17.367 1536 HA ASP 13 HA ASP 13 4.420 -8.478 -18.358 1537 1HB ASP 13 2HB ASP 13 3.153 -10.154 -17.083 1538 2HB ASP 13 1HB ASP 13 1.960 -10.240 -18.374 1539 H GLY 14 H GLY 14 1.200 -8.681 -19.920 1540 1HA GLY 14 2HA GLY 14 2.126 -7.535 -22.344 1541 2HA GLY 14 1HA GLY 14 2.074 -9.284 -22.484 1542 H LYS 15 H LYS 15 0.313 -9.909 -23.521 1543 HA LYS 15 HA LYS 15 -1.962 -8.356 -23.945 1544 1HB LYS 15 2HB LYS 15 -1.473 -11.313 -24.172 1545 2HB LYS 15 1HB LYS 15 -3.053 -10.629 -24.498 1546 1HG LYS 15 2HG LYS 15 -1.973 -10.859 -26.581 1547 2HG LYS 15 1HG LYS 15 -1.964 -9.142 -26.196 1548 1HD LYS 15 2HD LYS 15 0.182 -9.529 -27.000 1549 2HD LYS 15 1HD LYS 15 0.396 -9.585 -25.256 1550 1HE LYS 15 2HE LYS 15 0.061 -11.986 -27.052 1551 2HE LYS 15 1HE LYS 15 1.598 -11.391 -26.434 1552 1HZ LYS 15 1HZ LYS 15 1.100 -13.025 -24.936 1553 2HZ LYS 15 2HZ LYS 15 -0.567 -12.766 -25.010 1554 3HZ LYS 15 3HZ LYS 15 0.417 -11.692 -24.151 1555 H SER 16 H SER 16 -1.251 -10.744 -21.457 1556 HA SER 16 HA SER 16 -3.107 -9.613 -19.644 1557 1HB SER 16 2HB SER 16 -4.680 -11.508 -19.473 1558 2HB SER 16 1HB SER 16 -4.759 -10.739 -21.057 1559 HG SER 16 HG SER 16 -3.482 -13.172 -20.363 1560 H HIS 17 H HIS 17 -2.568 -10.151 -17.606 1561 HA HIS 17 HA HIS 17 -0.207 -11.481 -17.031 1562 1HB HIS 17 2HB HIS 17 -0.866 -11.379 -14.695 1563 2HB HIS 17 1HB HIS 17 -1.323 -9.884 -15.502 1564 HD1 HIS 17 1HD HIS 17 -4.010 -10.093 -16.441 1565 HD2 HIS 17 2HD HIS 17 -2.835 -12.257 -13.095 1566 HE1 HIS 17 1HE HIS 17 -6.136 -10.654 -15.224 1567 HE2 HIS 17 2HE HIS 17 -5.394 -11.889 -13.158 1568 H LYS 18 H LYS 18 0.363 -13.530 -16.592 1569 HA LYS 18 HA LYS 18 0.265 -15.798 -16.761 1570 1HB LYS 18 2HB LYS 18 -1.326 -16.858 -15.159 1571 2HB LYS 18 1HB LYS 18 -0.338 -15.587 -14.457 1572 1HG LYS 18 2HG LYS 18 -2.207 -14.043 -14.565 1573 2HG LYS 18 1HG LYS 18 -3.203 -15.276 -15.337 1574 1HD LYS 18 2HD LYS 18 -2.976 -16.691 -13.345 1575 2HD LYS 18 1HD LYS 18 -2.002 -15.438 -12.575 1576 1HE LYS 18 2HE LYS 18 -3.892 -13.893 -12.693 1577 2HE LYS 18 1HE LYS 18 -4.865 -15.135 -13.478 1578 1HZ LYS 18 1HZ LYS 18 -5.518 -15.500 -11.366 1579 2HZ LYS 18 2HZ LYS 18 -4.108 -14.860 -10.683 1580 3HZ LYS 18 3HZ LYS 18 -4.110 -16.436 -11.297 1581 1H MET 1 1HT MET 1 -8.924 13.777 11.081 1582 2H MET 1 2HT MET 1 -7.543 12.764 11.166 1583 3H MET 1 3HT MET 1 -8.445 12.866 9.712 1584 HA MET 1 HA MET 1 -7.704 14.924 9.211 1585 1HB MET 1 2HB MET 1 -6.631 16.411 10.844 1586 2HB MET 1 1HB MET 1 -8.236 15.931 11.372 1587 1HG MET 1 2HG MET 1 -5.744 14.559 12.328 1588 2HG MET 1 1HG MET 1 -6.416 15.980 13.124 1589 1HE MET 1 1HE MET 1 -7.045 14.409 15.688 1590 2HE MET 1 2HE MET 1 -5.748 13.792 14.664 1591 3HE MET 1 3HE MET 1 -7.004 12.701 15.249 1592 H LYS 2 H LYS 2 -6.567 12.494 8.721 1593 HA LYS 2 HA LYS 2 -3.857 13.199 8.255 1594 1HB LYS 2 2HB LYS 2 -2.733 11.523 9.555 1595 2HB LYS 2 1HB LYS 2 -3.719 12.490 10.644 1596 1HG LYS 2 2HG LYS 2 -4.556 9.824 9.542 1597 2HG LYS 2 1HG LYS 2 -3.752 10.041 11.092 1598 1HD LYS 2 2HD LYS 2 -6.403 11.246 10.303 1599 2HD LYS 2 1HD LYS 2 -6.180 9.842 11.346 1600 1HE LYS 2 2HE LYS 2 -5.227 12.650 11.892 1601 2HE LYS 2 1HE LYS 2 -6.572 11.828 12.679 1602 1HZ LYS 2 1HZ LYS 2 -4.786 10.101 13.303 1603 2HZ LYS 2 2HZ LYS 2 -4.856 11.551 14.172 1604 3HZ LYS 2 3HZ LYS 2 -3.682 11.341 12.971 1605 H ASP 3 H ASP 3 -3.167 12.193 6.467 1606 HA ASP 3 HA ASP 3 -3.997 9.549 5.778 1607 1HB ASP 3 2HB ASP 3 -5.198 10.137 3.711 1608 2HB ASP 3 1HB ASP 3 -6.031 10.729 5.144 1609 H THR 4 H THR 4 -2.033 8.841 5.196 1610 HA THR 4 HA THR 4 -0.092 10.459 3.901 1611 HB THR 4 HB THR 4 0.403 8.494 5.378 1612 HG1 THR 4 1HG THR 4 1.908 9.348 3.776 1613 1HG2 THR 4 1HG2 THR 4 0.137 6.626 3.119 1614 2HG2 THR 4 2HG2 THR 4 -1.350 7.069 3.957 1615 3HG2 THR 4 3HG2 THR 4 -0.013 6.351 4.854 1616 H GLY 5 H GLY 5 0.658 10.319 1.749 1617 1HA GLY 5 2HA GLY 5 -0.864 8.706 -0.137 1618 2HA GLY 5 1HA GLY 5 -1.032 10.448 -0.308 1619 H ILE 6 H ILE 6 0.397 7.999 -1.720 1620 HA ILE 6 HA ILE 6 2.482 9.643 -2.824 1621 HB ILE 6 HB ILE 6 4.257 7.860 -2.391 1622 1HG1 ILE 6 2HG1 ILE 6 3.906 6.760 -0.097 1623 2HG1 ILE 6 1HG1 ILE 6 2.196 7.101 -0.330 1624 1HG2 ILE 6 1HG2 ILE 6 4.078 10.172 -1.364 1625 2HG2 ILE 6 2HG2 ILE 6 5.051 8.990 -0.488 1626 3HG2 ILE 6 3HG2 ILE 6 3.421 9.373 0.064 1627 1HD1 ILE 6 1HD1 ILE 6 1.952 5.342 -1.652 1628 2HD1 ILE 6 2HD1 ILE 6 3.577 4.859 -1.164 1629 3HD1 ILE 6 3HD1 ILE 6 3.341 5.800 -2.637 1630 H GLN 7 H GLN 7 2.910 9.133 -4.865 1631 HA GLN 7 HA GLN 7 1.743 6.649 -5.925 1632 1HB GLN 7 2HB GLN 7 1.680 7.853 -8.112 1633 2HB GLN 7 1HB GLN 7 0.673 8.586 -6.872 1634 1HG GLN 7 2HG GLN 7 2.288 10.321 -6.506 1635 2HG GLN 7 1HG GLN 7 3.430 9.547 -7.601 1636 1HE2 GLN 7 1HE2 GLN 7 3.557 10.506 -9.483 1637 2HE2 GLN 7 2HE2 GLN 7 2.273 11.302 -10.320 1638 H VAL 8 H VAL 8 3.809 5.651 -5.182 1639 HA VAL 8 HA VAL 8 6.280 6.368 -6.374 1640 HB VAL 8 HB VAL 8 5.509 3.684 -5.227 1641 1HG1 VAL 8 1HG1 VAL 8 8.248 4.681 -4.930 1642 2HG1 VAL 8 2HG1 VAL 8 7.769 4.333 -6.592 1643 3HG1 VAL 8 3HG1 VAL 8 7.663 3.074 -5.362 1644 1HG2 VAL 8 1HG2 VAL 8 6.603 6.139 -3.862 1645 2HG2 VAL 8 2HG2 VAL 8 6.491 4.541 -3.123 1646 3HG2 VAL 8 3HG2 VAL 8 5.025 5.394 -3.602 1647 H ASP 9 H ASP 9 7.163 5.841 -8.263 1648 HA ASP 9 HA ASP 9 6.350 3.507 -9.753 1649 1HB ASP 9 2HB ASP 9 5.858 6.270 -10.894 1650 2HB ASP 9 1HB ASP 9 5.732 4.763 -11.795 1651 H ARG 10 H ARG 10 8.772 4.431 -8.553 1652 HA ARG 10 HA ARG 10 10.480 5.423 -10.658 1653 1HB ARG 10 2HB ARG 10 10.830 6.038 -8.288 1654 2HB ARG 10 1HB ARG 10 11.185 4.359 -7.916 1655 1HG ARG 10 2HG ARG 10 13.143 4.438 -9.354 1656 2HG ARG 10 1HG ARG 10 12.775 6.109 -9.778 1657 1HD ARG 10 2HD ARG 10 13.374 5.104 -7.000 1658 2HD ARG 10 1HD ARG 10 14.520 5.935 -8.049 1659 HE ARG 10 HE ARG 10 12.229 7.529 -7.770 1660 1HH1 ARG 10 1HH1 ARG 10 14.923 6.376 -5.873 1661 2HH1 ARG 10 2HH1 ARG 10 14.924 7.745 -4.815 1662 1HH2 ARG 10 1HH2 ARG 10 12.233 9.331 -6.379 1663 2HH2 ARG 10 2HH2 ARG 10 13.396 9.424 -5.100 1664 H ASP 11 H ASP 11 11.455 4.208 -12.146 1665 HA ASP 11 HA ASP 11 11.477 1.312 -11.820 1666 1HB ASP 11 2HB ASP 11 10.536 2.268 -13.896 1667 2HB ASP 11 1HB ASP 11 12.107 2.978 -14.257 1668 H LEU 12 H LEU 12 13.323 2.878 -10.290 1669 HA LEU 12 HA LEU 12 15.489 2.790 -9.623 1670 1HB LEU 12 2HB LEU 12 15.650 0.600 -11.690 1671 2HB LEU 12 1HB LEU 12 16.950 1.010 -10.592 1672 HG LEU 12 HG LEU 12 15.505 0.424 -8.678 1673 1HD1 LEU 12 1HD1 LEU 12 13.545 -0.207 -10.861 1674 2HD1 LEU 12 2HD1 LEU 12 13.321 0.809 -9.437 1675 3HD1 LEU 12 3HD1 LEU 12 13.443 -0.941 -9.261 1676 1HD2 LEU 12 1HD2 LEU 12 15.419 -1.933 -10.495 1677 2HD2 LEU 12 2HD2 LEU 12 15.940 -1.822 -8.814 1678 3HD2 LEU 12 3HD2 LEU 12 16.981 -1.216 -10.101 1679 H ASP 13 H ASP 13 14.953 2.920 -13.103 1680 HA ASP 13 HA ASP 13 16.469 5.255 -13.443 1681 1HB ASP 13 2HB ASP 13 18.400 3.808 -13.030 1682 2HB ASP 13 1HB ASP 13 17.883 2.726 -14.319 1683 H GLY 14 H GLY 14 16.186 6.141 -15.465 1684 1HA GLY 14 2HA GLY 14 15.399 4.631 -17.747 1685 2HA GLY 14 1HA GLY 14 14.004 5.371 -16.976 1686 H LYS 15 H LYS 15 13.420 7.192 -17.921 1687 HA LYS 15 HA LYS 15 14.727 8.582 -19.870 1688 1HB LYS 15 2HB LYS 15 13.267 10.495 -19.331 1689 2HB LYS 15 1HB LYS 15 12.390 8.971 -19.344 1690 1HG LYS 15 2HG LYS 15 12.485 8.900 -16.899 1691 2HG LYS 15 1HG LYS 15 13.349 10.438 -16.894 1692 1HD LYS 15 2HD LYS 15 11.434 11.520 -17.962 1693 2HD LYS 15 1HD LYS 15 10.573 9.980 -17.986 1694 1HE LYS 15 2HE LYS 15 10.645 9.908 -15.538 1695 2HE LYS 15 1HE LYS 15 11.500 11.450 -15.519 1696 1HZ LYS 15 1HZ LYS 15 9.605 12.539 -16.427 1697 2HZ LYS 15 2HZ LYS 15 9.075 11.618 -15.112 1698 3HZ LYS 15 3HZ LYS 15 8.799 11.075 -16.689 1699 H SER 16 H SER 16 15.227 8.812 -16.426 1700 HA SER 16 HA SER 16 17.653 10.312 -16.845 1701 1HB SER 16 2HB SER 16 16.031 12.141 -16.757 1702 2HB SER 16 1HB SER 16 15.395 11.524 -15.233 1703 HG SER 16 HG SER 16 17.246 12.101 -14.217 1704 H HIS 17 H HIS 17 19.141 9.894 -15.296 1705 HA HIS 17 HA HIS 17 18.810 7.741 -13.563 1706 1HB HIS 17 2HB HIS 17 21.005 8.523 -14.347 1707 2HB HIS 17 1HB HIS 17 20.831 9.986 -13.385 1708 HD1 HIS 17 1HD HIS 17 20.351 9.286 -10.664 1709 HD2 HIS 17 2HD HIS 17 22.537 6.711 -13.083 1710 HE1 HIS 17 1HE HIS 17 21.657 7.830 -9.086 1711 HE2 HIS 17 2HE HIS 17 23.038 6.337 -10.574 1712 H LYS 18 H LYS 18 18.003 7.511 -11.581 1713 HA LYS 18 HA LYS 18 16.688 9.718 -10.317 1714 1HB LYS 18 2HB LYS 18 17.078 6.844 -9.476 1715 2HB LYS 18 1HB LYS 18 16.148 8.009 -8.546 1716 1HG LYS 18 2HG LYS 18 14.680 6.632 -9.878 1717 2HG LYS 18 1HG LYS 18 14.626 8.300 -10.444 1718 1HD LYS 18 2HD LYS 18 16.089 7.755 -12.294 1719 2HD LYS 18 1HD LYS 18 16.272 6.103 -11.697 1720 1HE LYS 18 2HE LYS 18 13.701 7.378 -12.631 1721 2HE LYS 18 1HE LYS 18 14.678 6.235 -13.552 1722 1HZ LYS 18 1HZ LYS 18 13.621 4.581 -12.560 1723 2HZ LYS 18 2HZ LYS 18 12.672 5.680 -11.692 1724 3HZ LYS 18 3HZ LYS 18 14.127 5.121 -11.037 Start of MODEL 16 1 1H MET 1 1HT MET 1 -23.833 -5.026 -20.376 2 2H MET 1 2HT MET 1 -22.433 -5.063 -19.381 3 3H MET 1 3HT MET 1 -22.729 -6.332 -20.499 4 HA MET 1 HA MET 1 -21.123 -5.062 -21.490 5 1HB MET 1 2HB MET 1 -23.825 -4.147 -22.500 6 2HB MET 1 1HB MET 1 -22.323 -4.076 -23.412 7 1HG MET 1 2HG MET 1 -23.677 -6.577 -22.426 8 2HG MET 1 1HG MET 1 -23.682 -5.973 -24.083 9 1HE MET 1 1HE MET 1 -19.928 -5.437 -24.346 10 2HE MET 1 2HE MET 1 -21.525 -5.085 -25.006 11 3HE MET 1 3HE MET 1 -20.601 -6.457 -25.616 12 H CYS 2 H CYS 2 -19.925 -3.245 -21.504 13 HA CYS 2 HA CYS 2 -19.200 -1.154 -20.979 14 1HB CYS 2 2HB CYS 2 -22.115 -0.445 -21.377 15 2HB CYS 2 1HB CYS 2 -20.790 0.711 -21.292 16 HG CYS 2 HG CYS 2 -21.029 -1.346 -23.619 17 H ASP 3 H ASP 3 -19.633 -2.803 -18.821 18 HA ASP 3 HA ASP 3 -19.670 -1.011 -16.676 19 1HB ASP 3 2HB ASP 3 -21.773 -1.663 -15.556 20 2HB ASP 3 1HB ASP 3 -22.069 -0.834 -17.081 21 H ARG 4 H ARG 4 -18.808 -1.944 -14.886 22 HA ARG 4 HA ARG 4 -17.819 -3.508 -13.564 23 1HB ARG 4 2HB ARG 4 -20.102 -4.409 -13.372 24 2HB ARG 4 1HB ARG 4 -19.840 -5.378 -14.815 25 1HG ARG 4 2HG ARG 4 -19.606 -6.727 -12.818 26 2HG ARG 4 1HG ARG 4 -18.066 -6.609 -13.670 27 1HD ARG 4 2HD ARG 4 -17.733 -6.353 -11.276 28 2HD ARG 4 1HD ARG 4 -17.349 -4.852 -12.117 29 HE ARG 4 HE ARG 4 -18.966 -3.841 -10.882 30 1HH1 ARG 4 1HH1 ARG 4 -19.679 -7.257 -10.986 31 2HH1 ARG 4 2HH1 ARG 4 -21.084 -7.120 -9.986 32 1HH2 ARG 4 1HH2 ARG 4 -20.810 -3.663 -9.561 33 2HH2 ARG 4 2HH2 ARG 4 -21.726 -5.081 -9.176 34 H LYS 5 H LYS 5 -16.084 -4.886 -13.647 35 HA LYS 5 HA LYS 5 -15.481 -6.652 -15.743 36 1HB LYS 5 2HB LYS 5 -15.234 -4.648 -17.102 37 2HB LYS 5 1HB LYS 5 -14.131 -3.952 -15.922 38 1HG LYS 5 2HG LYS 5 -12.957 -4.835 -17.875 39 2HG LYS 5 1HG LYS 5 -12.494 -5.675 -16.393 40 1HD LYS 5 2HD LYS 5 -14.015 -7.505 -16.954 41 2HD LYS 5 1HD LYS 5 -14.483 -6.665 -18.435 42 1HE LYS 5 2HE LYS 5 -11.716 -7.653 -17.748 43 2HE LYS 5 1HE LYS 5 -12.831 -8.405 -18.889 44 1HZ LYS 5 1HZ LYS 5 -11.181 -6.033 -19.198 45 2HZ LYS 5 2HZ LYS 5 -12.732 -5.938 -19.865 46 3HZ LYS 5 3HZ LYS 5 -11.677 -7.168 -20.351 47 H ALA 6 H ALA 6 -14.235 -4.480 -13.281 48 HA ALA 6 HA ALA 6 -11.750 -5.508 -12.769 49 1HB ALA 6 1HB ALA 6 -13.037 -3.568 -11.648 50 2HB ALA 6 2HB ALA 6 -11.844 -4.460 -10.706 51 3HB ALA 6 3HB ALA 6 -13.559 -4.798 -10.498 52 H VAL 7 H VAL 7 -10.929 -7.355 -11.980 53 HA VAL 7 HA VAL 7 -12.793 -9.427 -11.132 54 HB VAL 7 HB VAL 7 -10.861 -10.934 -11.347 55 1HG1 VAL 7 1HG1 VAL 7 -12.163 -10.968 -13.249 56 2HG1 VAL 7 2HG1 VAL 7 -10.590 -10.519 -13.910 57 3HG1 VAL 7 3HG1 VAL 7 -11.817 -9.282 -13.637 58 1HG2 VAL 7 1HG2 VAL 7 -9.213 -9.097 -12.881 59 2HG2 VAL 7 2HG2 VAL 7 -8.755 -10.244 -11.623 60 3HG2 VAL 7 3HG2 VAL 7 -9.345 -8.643 -11.183 61 H ILE 8 H ILE 8 -12.775 -10.351 -9.151 62 HA ILE 8 HA ILE 8 -11.366 -8.929 -7.052 63 HB ILE 8 HB ILE 8 -13.757 -9.579 -6.790 64 1HG1 ILE 8 2HG1 ILE 8 -13.446 -10.551 -4.460 65 2HG1 ILE 8 1HG1 ILE 8 -11.723 -10.621 -4.818 66 1HG2 ILE 8 1HG2 ILE 8 -14.506 -11.673 -6.975 67 2HG2 ILE 8 2HG2 ILE 8 -13.180 -12.326 -6.013 68 3HG2 ILE 8 3HG2 ILE 8 -12.955 -12.027 -7.735 69 1HD1 ILE 8 1HD1 ILE 8 -12.506 -8.026 -5.462 70 2HD1 ILE 8 2HD1 ILE 8 -11.564 -8.554 -4.069 71 3HD1 ILE 8 3HD1 ILE 8 -13.317 -8.406 -3.944 72 H LYS 9 H LYS 9 -9.804 -9.776 -5.702 73 HA LYS 9 HA LYS 9 -8.750 -12.418 -6.469 74 1HB LYS 9 2HB LYS 9 -7.210 -9.974 -5.593 75 2HB LYS 9 1HB LYS 9 -6.499 -11.553 -5.875 76 1HG LYS 9 2HG LYS 9 -7.866 -9.817 -7.922 77 2HG LYS 9 1HG LYS 9 -6.130 -10.090 -7.768 78 1HD LYS 9 2HD LYS 9 -8.138 -12.274 -8.313 79 2HD LYS 9 1HD LYS 9 -7.248 -11.421 -9.571 80 1HE LYS 9 2HE LYS 9 -6.088 -13.448 -9.157 81 2HE LYS 9 1HE LYS 9 -5.132 -12.155 -8.438 82 1HZ LYS 9 1HZ LYS 9 -5.364 -13.030 -6.420 83 2HZ LYS 9 2HZ LYS 9 -5.903 -14.435 -7.190 84 3HZ LYS 9 3HZ LYS 9 -7.022 -13.307 -6.611 85 H ASN 10 H ASN 10 -8.775 -10.047 -3.793 86 HA ASN 10 HA ASN 10 -8.313 -12.223 -1.903 87 1HB ASN 10 2HB ASN 10 -8.399 -9.228 -1.555 88 2HB ASN 10 1HB ASN 10 -8.207 -10.354 -0.215 89 1HD2 ASN 10 1HD2 ASN 10 -6.199 -10.661 0.386 90 2HD2 ASN 10 2HD2 ASN 10 -4.800 -10.558 -0.622 91 H ALA 11 H ALA 11 -10.603 -9.484 -2.094 92 HA ALA 11 HA ALA 11 -12.779 -9.281 -1.451 93 1HB ALA 11 1HB ALA 11 -14.156 -10.853 -2.278 94 2HB ALA 11 2HB ALA 11 -13.353 -12.161 -1.407 95 3HB ALA 11 3HB ALA 11 -12.672 -11.559 -2.918 96 H ASP 12 H ASP 12 -13.688 -8.951 0.509 97 HA ASP 12 HA ASP 12 -13.824 -10.833 2.580 98 1HB ASP 12 2HB ASP 12 -11.396 -10.538 2.723 99 2HB ASP 12 1HB ASP 12 -11.606 -8.804 2.930 100 H MET 13 H MET 13 -15.807 -9.390 1.727 101 HA MET 13 HA MET 13 -16.660 -7.930 3.990 102 1HB MET 13 2HB MET 13 -16.932 -5.712 2.932 103 2HB MET 13 1HB MET 13 -15.247 -6.164 3.140 104 1HG MET 13 2HG MET 13 -15.037 -6.694 0.818 105 2HG MET 13 1HG MET 13 -16.767 -6.470 0.564 106 1HE MET 13 1HE MET 13 -14.579 -3.313 2.602 107 2HE MET 13 2HE MET 13 -13.445 -3.595 1.282 108 3HE MET 13 3HE MET 13 -13.926 -4.929 2.331 109 H SER 14 H SER 14 -18.724 -6.508 3.219 110 HA SER 14 HA SER 14 -20.655 -8.361 2.437 111 1HB SER 14 2HB SER 14 -20.789 -5.338 2.338 112 2HB SER 14 1HB SER 14 -22.178 -6.421 2.246 113 HG SER 14 HG SER 14 -21.396 -7.238 4.346 114 H GLU 15 H GLU 15 -21.661 -8.840 0.541 115 HA GLU 15 HA GLU 15 -20.290 -8.709 -1.851 116 1HB GLU 15 2HB GLU 15 -23.270 -8.967 -1.453 117 2HB GLU 15 1HB GLU 15 -22.403 -9.374 -2.928 118 1HG GLU 15 2HG GLU 15 -22.011 -10.696 -0.254 119 2HG GLU 15 1HG GLU 15 -22.956 -11.345 -1.591 120 H GLU 16 H GLU 16 -22.912 -6.617 -0.737 121 HA GLU 16 HA GLU 16 -22.979 -5.039 -3.092 122 1HB GLU 16 2HB GLU 16 -24.378 -3.500 -1.779 123 2HB GLU 16 1HB GLU 16 -24.907 -5.168 -1.612 124 1HG GLU 16 2HG GLU 16 -23.781 -5.311 0.550 125 2HG GLU 16 1HG GLU 16 -23.248 -3.639 0.381 126 H MET 17 H MET 17 -21.266 -4.728 -0.027 127 HA MET 17 HA MET 17 -20.357 -2.091 -0.501 128 1HB MET 17 2HB MET 17 -20.438 -3.231 1.738 129 2HB MET 17 1HB MET 17 -19.026 -4.158 1.246 130 1HG MET 17 2HG MET 17 -17.658 -2.256 1.195 131 2HG MET 17 1HG MET 17 -19.038 -1.161 1.232 132 1HE MET 17 1HE MET 17 -17.437 -3.591 4.800 133 2HE MET 17 2HE MET 17 -16.903 -3.727 3.124 134 3HE MET 17 3HE MET 17 -18.469 -4.382 3.607 135 H GLN 18 H GLN 18 -18.936 -5.275 -1.133 136 HA GLN 18 HA GLN 18 -16.454 -4.287 -2.046 137 1HB GLN 18 2HB GLN 18 -16.187 -6.521 -3.110 138 2HB GLN 18 1HB GLN 18 -16.590 -6.581 -1.403 139 1HG GLN 18 2HG GLN 18 -18.947 -7.010 -2.034 140 2HG GLN 18 1HG GLN 18 -18.440 -7.077 -3.720 141 1HE2 GLN 18 1HE2 GLN 18 -18.709 -8.756 -0.782 142 2HE2 GLN 18 2HE2 GLN 18 -17.977 -10.233 -1.285 143 H GLN 19 H GLN 19 -19.470 -5.053 -3.755 144 HA GLN 19 HA GLN 19 -18.438 -4.613 -6.352 145 1HB GLN 19 2HB GLN 19 -20.791 -4.313 -7.044 146 2HB GLN 19 1HB GLN 19 -20.564 -5.749 -6.056 147 1HG GLN 19 2HG GLN 19 -21.462 -4.614 -4.134 148 2HG GLN 19 1HG GLN 19 -21.607 -3.117 -5.048 149 1HE2 GLN 19 1HE2 GLN 19 -22.349 -5.574 -7.135 150 2HE2 GLN 19 2HE2 GLN 19 -24.063 -5.597 -6.941 151 H ASP 20 H ASP 20 -19.812 -2.499 -3.912 152 HA ASP 20 HA ASP 20 -20.001 -0.153 -5.459 153 1HB ASP 20 2HB ASP 20 -21.070 -0.371 -3.251 154 2HB ASP 20 1HB ASP 20 -19.484 -0.444 -2.487 155 H SER 21 H SER 21 -17.340 -1.634 -3.703 156 HA SER 21 HA SER 21 -15.552 0.545 -3.922 157 1HB SER 21 2HB SER 21 -15.124 -1.321 -2.383 158 2HB SER 21 1HB SER 21 -14.956 -2.425 -3.748 159 HG SER 21 HG SER 21 -12.927 -1.884 -3.621 160 H VAL 22 H VAL 22 -16.206 -2.253 -5.974 161 HA VAL 22 HA VAL 22 -14.229 -1.736 -7.910 162 HB VAL 22 HB VAL 22 -16.882 -3.134 -8.281 163 1HG1 VAL 22 1HG1 VAL 22 -16.050 -2.683 -10.430 164 2HG1 VAL 22 2HG1 VAL 22 -15.563 -4.343 -10.090 165 3HG1 VAL 22 3HG1 VAL 22 -14.388 -3.033 -9.953 166 1HG2 VAL 22 1HG2 VAL 22 -14.966 -3.881 -6.536 167 2HG2 VAL 22 2HG2 VAL 22 -14.404 -4.698 -7.994 168 3HG2 VAL 22 3HG2 VAL 22 -16.026 -5.013 -7.377 169 H GLU 23 H GLU 23 -17.645 -0.846 -7.731 170 HA GLU 23 HA GLU 23 -17.735 0.529 -10.194 171 1HB GLU 23 2HB GLU 23 -19.434 0.897 -7.719 172 2HB GLU 23 1HB GLU 23 -19.803 1.562 -9.305 173 1HG GLU 23 2HG GLU 23 -19.978 -0.695 -10.215 174 2HG GLU 23 1HG GLU 23 -19.600 -1.364 -8.628 175 H CYS 24 H CYS 24 -17.202 1.607 -6.872 176 HA CYS 24 HA CYS 24 -16.988 4.352 -7.404 177 1HB CYS 24 2HB CYS 24 -15.804 2.657 -5.207 178 2HB CYS 24 1HB CYS 24 -15.649 4.409 -5.253 179 HG CYS 24 HG CYS 24 -18.093 4.661 -4.699 180 H ALA 25 H ALA 25 -14.621 1.760 -7.628 181 HA ALA 25 HA ALA 25 -12.351 3.440 -7.929 182 1HB ALA 25 1HB ALA 25 -12.539 0.871 -7.397 183 2HB ALA 25 2HB ALA 25 -11.145 1.512 -8.267 184 3HB ALA 25 3HB ALA 25 -12.449 0.721 -9.152 185 H THR 26 H THR 26 -14.695 2.003 -10.101 186 HA THR 26 HA THR 26 -13.417 2.540 -12.520 187 HB THR 26 HB THR 26 -16.376 2.412 -11.931 188 HG1 THR 26 1HG THR 26 -14.621 0.397 -12.875 189 1HG2 THR 26 1HG2 THR 26 -16.443 3.196 -14.064 190 2HG2 THR 26 2HG2 THR 26 -16.283 1.470 -14.377 191 3HG2 THR 26 3HG2 THR 26 -14.871 2.520 -14.485 192 H GLN 27 H GLN 27 -15.778 4.443 -10.696 193 HA GLN 27 HA GLN 27 -15.967 6.598 -12.474 194 1HB GLN 27 2HB GLN 27 -16.369 6.390 -9.496 195 2HB GLN 27 1HB GLN 27 -16.586 7.910 -10.353 196 1HG GLN 27 2HG GLN 27 -18.707 6.799 -10.016 197 2HG GLN 27 1HG GLN 27 -18.321 6.896 -11.732 198 1HE2 GLN 27 1HE2 GLN 27 -19.442 4.932 -9.335 199 2HE2 GLN 27 2HE2 GLN 27 -19.170 3.395 -10.075 200 H ALA 28 H ALA 28 -13.838 6.090 -9.679 201 HA ALA 28 HA ALA 28 -12.482 8.515 -9.704 202 1HB ALA 28 1HB ALA 28 -10.799 7.457 -8.416 203 2HB ALA 28 2HB ALA 28 -11.181 5.871 -9.086 204 3HB ALA 28 3HB ALA 28 -12.316 6.663 -7.993 205 H LEU 29 H LEU 29 -12.007 5.639 -11.674 206 HA LEU 29 HA LEU 29 -9.554 6.376 -12.834 207 1HB LEU 29 2HB LEU 29 -11.769 4.562 -13.734 208 2HB LEU 29 1HB LEU 29 -10.337 4.823 -14.713 209 HG LEU 29 HG LEU 29 -10.201 3.853 -11.871 210 1HD1 LEU 29 1HD1 LEU 29 -9.614 1.659 -13.285 211 2HD1 LEU 29 2HD1 LEU 29 -10.790 2.391 -14.376 212 3HD1 LEU 29 3HD1 LEU 29 -11.243 2.019 -12.713 213 1HD2 LEU 29 1HD2 LEU 29 -7.982 3.004 -12.718 214 2HD2 LEU 29 2HD2 LEU 29 -8.135 4.757 -12.579 215 3HD2 LEU 29 3HD2 LEU 29 -8.257 3.983 -14.159 216 H GLU 30 H GLU 30 -12.892 6.810 -13.907 217 HA GLU 30 HA GLU 30 -12.361 8.094 -16.334 218 1HB GLU 30 2HB GLU 30 -14.727 8.452 -14.488 219 2HB GLU 30 1HB GLU 30 -14.668 8.957 -16.171 220 1HG GLU 30 2HG GLU 30 -14.389 6.631 -16.861 221 2HG GLU 30 1HG GLU 30 -14.448 6.124 -15.174 222 H LYS 31 H LYS 31 -12.235 9.273 -13.077 223 HA LYS 31 HA LYS 31 -12.182 12.060 -13.905 224 1HB LYS 31 2HB LYS 31 -11.717 10.954 -11.140 225 2HB LYS 31 1HB LYS 31 -12.152 12.601 -11.570 226 1HG LYS 31 2HG LYS 31 -13.877 10.148 -11.698 227 2HG LYS 31 1HG LYS 31 -14.086 11.570 -10.680 228 1HD LYS 31 2HD LYS 31 -14.296 11.498 -13.687 229 2HD LYS 31 1HD LYS 31 -15.650 11.572 -12.559 230 1HE LYS 31 2HE LYS 31 -14.831 13.725 -11.723 231 2HE LYS 31 1HE LYS 31 -13.484 13.651 -12.859 232 1HZ LYS 31 1HZ LYS 31 -16.369 13.852 -13.528 233 2HZ LYS 31 2HZ LYS 31 -15.150 13.598 -14.671 234 3HZ LYS 31 3HZ LYS 31 -15.181 15.032 -13.774 235 H TYR 32 H TYR 32 -10.113 9.746 -12.232 236 HA TYR 32 HA TYR 32 -7.765 11.099 -13.338 237 1HB TYR 32 2HB TYR 32 -7.770 10.075 -10.508 238 2HB TYR 32 1HB TYR 32 -6.583 11.109 -11.288 239 HD1 TYR 32 1HD TYR 32 -9.878 10.977 -9.692 240 HD2 TYR 32 2HD TYR 32 -6.933 13.500 -11.439 241 HE1 TYR 32 1HE TYR 32 -11.002 12.939 -8.727 242 HE2 TYR 32 2HE TYR 32 -8.049 15.473 -10.485 243 HH TYR 32 HH TYR 32 -9.563 16.023 -8.645 244 H ASN 33 H ASN 33 -7.413 9.446 -14.774 245 HA ASN 33 HA ASN 33 -7.508 6.697 -14.077 246 1HB ASN 33 2HB ASN 33 -6.102 7.986 -16.424 247 2HB ASN 33 1HB ASN 33 -6.528 6.285 -16.275 248 1HD2 ASN 33 1HD2 ASN 33 -8.289 5.705 -17.299 249 2HD2 ASN 33 2HD2 ASN 33 -9.630 6.723 -17.688 250 H ILE 34 H ILE 34 -5.762 8.494 -12.484 251 HA ILE 34 HA ILE 34 -3.129 7.302 -12.918 252 HB ILE 34 HB ILE 34 -3.989 9.556 -11.101 253 1HG1 ILE 34 2HG1 ILE 34 -2.569 10.929 -12.634 254 2HG1 ILE 34 1HG1 ILE 34 -2.390 9.517 -13.668 255 1HG2 ILE 34 1HG2 ILE 34 -1.517 7.979 -11.227 256 2HG2 ILE 34 2HG2 ILE 34 -2.176 8.956 -9.916 257 3HG2 ILE 34 3HG2 ILE 34 -1.284 9.727 -11.228 258 1HD1 ILE 34 1HD1 ILE 34 -4.585 9.599 -14.373 259 2HD1 ILE 34 2HD1 ILE 34 -4.158 11.304 -14.241 260 3HD1 ILE 34 3HD1 ILE 34 -5.108 10.533 -12.971 261 H GLU 35 H GLU 35 -2.234 5.886 -11.525 262 HA GLU 35 HA GLU 35 -3.712 4.228 -9.926 263 1HB GLU 35 2HB GLU 35 -0.799 4.956 -9.578 264 2HB GLU 35 1HB GLU 35 -1.576 3.525 -8.916 265 1HG GLU 35 2HG GLU 35 -1.914 2.602 -11.070 266 2HG GLU 35 1HG GLU 35 -1.470 4.114 -11.860 267 H LYS 36 H LYS 36 -1.791 7.004 -8.832 268 HA LYS 36 HA LYS 36 -2.301 6.766 -6.097 269 1HB LYS 36 2HB LYS 36 -0.545 8.193 -7.012 270 2HB LYS 36 1HB LYS 36 -1.757 9.241 -7.729 271 1HG LYS 36 2HG LYS 36 -2.591 9.740 -5.439 272 2HG LYS 36 1HG LYS 36 -1.232 8.815 -4.800 273 1HD LYS 36 2HD LYS 36 -0.594 11.100 -4.743 274 2HD LYS 36 1HD LYS 36 0.282 10.358 -6.082 275 1HE LYS 36 2HE LYS 36 -2.319 11.818 -6.464 276 2HE LYS 36 1HE LYS 36 -0.761 12.641 -6.503 277 1HZ LYS 36 1HZ LYS 36 -2.008 10.996 -8.496 278 2HZ LYS 36 2HZ LYS 36 -0.405 10.550 -8.193 279 3HZ LYS 36 3HZ LYS 36 -0.769 12.135 -8.656 280 H ASP 37 H ASP 37 -3.860 8.999 -8.397 281 HA ASP 37 HA ASP 37 -5.690 10.139 -6.694 282 1HB ASP 37 2HB ASP 37 -5.971 9.547 -9.638 283 2HB ASP 37 1HB ASP 37 -7.065 10.589 -8.733 284 H ILE 38 H ILE 38 -6.091 7.113 -8.525 285 HA ILE 38 HA ILE 38 -8.760 6.602 -8.100 286 HB ILE 38 HB ILE 38 -6.482 4.616 -7.976 287 1HG1 ILE 38 2HG1 ILE 38 -8.359 5.336 -10.238 288 2HG1 ILE 38 1HG1 ILE 38 -6.698 5.897 -10.092 289 1HG2 ILE 38 1HG2 ILE 38 -8.288 2.965 -8.625 290 2HG2 ILE 38 2HG2 ILE 38 -9.456 4.194 -8.136 291 3HG2 ILE 38 3HG2 ILE 38 -8.320 3.536 -6.957 292 1HD1 ILE 38 1HD1 ILE 38 -7.716 3.158 -10.692 293 2HD1 ILE 38 2HD1 ILE 38 -6.102 3.391 -10.022 294 3HD1 ILE 38 3HD1 ILE 38 -6.532 4.129 -11.566 295 H ALA 39 H ALA 39 -6.070 6.025 -5.884 296 HA ALA 39 HA ALA 39 -7.551 4.822 -3.820 297 1HB ALA 39 1HB ALA 39 -5.630 4.942 -2.545 298 2HB ALA 39 2HB ALA 39 -5.140 6.487 -3.242 299 3HB ALA 39 3HB ALA 39 -4.978 5.006 -4.184 300 H ALA 40 H ALA 40 -7.045 8.161 -4.720 301 HA ALA 40 HA ALA 40 -7.835 9.352 -2.284 302 1HB ALA 40 1HB ALA 40 -7.202 11.180 -3.371 303 2HB ALA 40 2HB ALA 40 -8.565 11.017 -4.480 304 3HB ALA 40 3HB ALA 40 -7.030 10.230 -4.848 305 H HIS 41 H HIS 41 -9.627 8.522 -5.223 306 HA HIS 41 HA HIS 41 -12.123 9.539 -4.414 307 1HB HIS 41 2HB HIS 41 -11.184 7.598 -6.463 308 2HB HIS 41 1HB HIS 41 -12.903 7.638 -6.088 309 HD1 HIS 41 1HD HIS 41 -13.988 10.145 -6.289 310 HD2 HIS 41 2HD HIS 41 -10.416 9.432 -8.281 311 HE1 HIS 41 1HE HIS 41 -13.830 11.942 -8.035 312 HE2 HIS 41 2HE HIS 41 -11.792 11.334 -9.374 313 H ILE 42 H ILE 42 -11.114 6.130 -4.590 314 HA ILE 42 HA ILE 42 -13.307 5.031 -3.312 315 HB ILE 42 HB ILE 42 -10.462 4.018 -3.308 316 1HG1 ILE 42 2HG1 ILE 42 -12.795 3.428 -5.142 317 2HG1 ILE 42 1HG1 ILE 42 -11.380 4.391 -5.555 318 1HG2 ILE 42 1HG2 ILE 42 -11.297 2.576 -1.793 319 2HG2 ILE 42 2HG2 ILE 42 -12.005 1.803 -3.212 320 3HG2 ILE 42 3HG2 ILE 42 -12.968 2.914 -2.240 321 1HD1 ILE 42 1HD1 ILE 42 -10.387 1.944 -4.648 322 2HD1 ILE 42 2HD1 ILE 42 -10.432 2.543 -6.306 323 3HD1 ILE 42 3HD1 ILE 42 -11.756 1.556 -5.687 324 H LYS 43 H LYS 43 -10.281 6.181 -1.860 325 HA LYS 43 HA LYS 43 -10.770 5.276 0.744 326 1HB LYS 43 2HB LYS 43 -8.584 6.069 -0.142 327 2HB LYS 43 1HB LYS 43 -9.190 7.716 -0.073 328 1HG LYS 43 2HG LYS 43 -9.091 5.964 2.359 329 2HG LYS 43 1HG LYS 43 -7.702 6.914 1.832 330 1HD LYS 43 2HD LYS 43 -9.145 8.948 1.931 331 2HD LYS 43 1HD LYS 43 -10.420 7.950 2.628 332 1HE LYS 43 2HE LYS 43 -8.988 7.390 4.508 333 2HE LYS 43 1HE LYS 43 -7.672 8.328 3.806 334 1HZ LYS 43 1HZ LYS 43 -8.531 9.859 5.224 335 2HZ LYS 43 2HZ LYS 43 -10.107 9.248 5.136 336 3HZ LYS 43 3HZ LYS 43 -9.499 10.200 3.877 337 H LYS 44 H LYS 44 -11.348 8.539 -0.620 338 HA LYS 44 HA LYS 44 -12.514 9.527 1.763 339 1HB LYS 44 2HB LYS 44 -13.110 11.480 0.505 340 2HB LYS 44 1HB LYS 44 -11.510 10.959 -0.001 341 1HG LYS 44 2HG LYS 44 -12.464 9.944 -2.003 342 2HG LYS 44 1HG LYS 44 -14.077 10.446 -1.490 343 1HD LYS 44 2HD LYS 44 -13.339 12.798 -1.556 344 2HD LYS 44 1HD LYS 44 -11.760 12.268 -2.140 345 1HE LYS 44 2HE LYS 44 -12.812 11.312 -4.125 346 2HE LYS 44 1HE LYS 44 -14.396 11.814 -3.536 347 1HZ LYS 44 1HZ LYS 44 -12.168 13.508 -4.488 348 2HZ LYS 44 2HZ LYS 44 -13.415 14.144 -3.538 349 3HZ LYS 44 3HZ LYS 44 -13.765 13.457 -5.042 350 H GLU 45 H GLU 45 -13.977 8.299 -1.240 351 HA GLU 45 HA GLU 45 -16.625 8.862 -0.669 352 1HB GLU 45 2HB GLU 45 -15.436 6.535 -2.177 353 2HB GLU 45 1HB GLU 45 -17.159 6.882 -2.133 354 1HG GLU 45 2HG GLU 45 -16.755 9.058 -3.154 355 2HG GLU 45 1HG GLU 45 -15.026 8.726 -3.187 356 H PHE 46 H PHE 46 -14.811 5.904 0.187 357 HA PHE 46 HA PHE 46 -16.991 4.689 1.509 358 1HB PHE 46 2HB PHE 46 -14.040 4.200 1.508 359 2HB PHE 46 1HB PHE 46 -15.081 3.346 2.642 360 HD1 PHE 46 1HD PHE 46 -17.382 2.565 1.327 361 HD2 PHE 46 2HD PHE 46 -13.477 2.918 -0.316 362 HE1 PHE 46 1HE PHE 46 -17.974 0.929 -0.409 363 HE2 PHE 46 2HE PHE 46 -14.061 1.280 -2.060 364 HZ PHE 46 HZ PHE 46 -16.315 0.287 -2.106 365 H ASP 47 H ASP 47 -14.299 6.646 2.732 366 HA ASP 47 HA ASP 47 -14.846 6.410 5.454 367 1HB ASP 47 2HB ASP 47 -13.761 8.804 3.955 368 2HB ASP 47 1HB ASP 47 -13.691 8.591 5.701 369 H LYS 48 H LYS 48 -16.343 8.397 2.996 370 HA LYS 48 HA LYS 48 -17.870 9.989 4.835 371 1HB LYS 48 2HB LYS 48 -17.105 10.422 2.333 372 2HB LYS 48 1HB LYS 48 -18.654 9.672 1.976 373 1HG LYS 48 2HG LYS 48 -18.170 12.154 3.603 374 2HG LYS 48 1HG LYS 48 -18.932 12.042 2.016 375 1HD LYS 48 2HD LYS 48 -20.788 10.802 2.965 376 2HD LYS 48 1HD LYS 48 -20.005 10.807 4.547 377 1HE LYS 48 2HE LYS 48 -21.737 12.511 4.431 378 2HE LYS 48 1HE LYS 48 -20.142 13.232 4.621 379 1HZ LYS 48 1HZ LYS 48 -21.802 14.170 2.877 380 2HZ LYS 48 2HZ LYS 48 -21.243 12.893 1.920 381 3HZ LYS 48 3HZ LYS 48 -20.157 14.053 2.497 382 H LYS 49 H LYS 49 -18.529 7.220 2.740 383 HA LYS 49 HA LYS 49 -21.307 7.088 3.388 384 1HB LYS 49 2HB LYS 49 -19.493 5.088 2.050 385 2HB LYS 49 1HB LYS 49 -21.243 4.940 2.159 386 1HG LYS 49 2HG LYS 49 -19.734 7.129 0.747 387 2HG LYS 49 1HG LYS 49 -20.574 5.779 -0.015 388 1HD LYS 49 2HD LYS 49 -22.690 6.573 0.930 389 2HD LYS 49 1HD LYS 49 -21.844 7.930 1.675 390 1HE LYS 49 2HE LYS 49 -22.045 7.373 -1.284 391 2HE LYS 49 1HE LYS 49 -22.948 8.603 -0.399 392 1HZ LYS 49 1HZ LYS 49 -20.184 8.611 -1.280 393 2HZ LYS 49 2HZ LYS 49 -20.450 9.236 0.268 394 3HZ LYS 49 3HZ LYS 49 -21.257 9.902 -1.060 395 H TYR 50 H TYR 50 -18.858 4.597 3.865 396 HA TYR 50 HA TYR 50 -20.392 3.379 5.957 397 1HB TYR 50 2HB TYR 50 -17.689 2.695 4.808 398 2HB TYR 50 1HB TYR 50 -18.585 1.692 5.950 399 HD1 TYR 50 1HD TYR 50 -20.248 0.201 5.185 400 HD2 TYR 50 2HD TYR 50 -18.771 3.217 2.575 401 HE1 TYR 50 1HE TYR 50 -21.506 -0.798 3.322 402 HE2 TYR 50 2HE TYR 50 -20.021 2.233 0.711 403 HH TYR 50 HH TYR 50 -22.476 0.087 1.067 404 H ASN 51 H ASN 51 -17.976 5.772 5.920 405 HA ASN 51 HA ASN 51 -17.265 7.023 7.725 406 1HB ASN 51 2HB ASN 51 -17.991 4.671 9.485 407 2HB ASN 51 1HB ASN 51 -17.449 6.249 10.035 408 1HD2 ASN 51 1HD2 ASN 51 -19.011 7.471 10.757 409 2HD2 ASN 51 2HD2 ASN 51 -20.644 7.494 10.190 410 HA PRO 52 HA PRO 52 -13.114 5.730 7.458 411 1HB PRO 52 2HB PRO 52 -12.703 7.019 10.110 412 2HB PRO 52 1HB PRO 52 -11.860 7.299 8.583 413 1HG PRO 52 2HG PRO 52 -13.646 9.054 9.497 414 2HG PRO 52 1HG PRO 52 -13.523 8.689 7.765 415 1HD PRO 52 2HD PRO 52 -15.549 7.770 9.758 416 2HD PRO 52 1HD PRO 52 -15.762 8.215 8.053 417 H THR 53 H THR 53 -11.897 3.327 9.830 418 HA THR 53 HA THR 53 -11.311 5.530 7.971 419 HB THR 53 HB THR 53 -9.997 5.556 10.053 420 HG1 THR 53 1HG THR 53 -7.961 5.652 9.028 421 1HG2 THR 53 1HG2 THR 53 -9.812 2.777 9.666 422 2HG2 THR 53 2HG2 THR 53 -9.125 3.750 10.965 423 3HG2 THR 53 3HG2 THR 53 -8.183 3.435 9.508 424 H TRP 54 H TRP 54 -10.750 5.064 5.926 425 HA TRP 54 HA TRP 54 -10.272 2.230 5.294 426 1HB TRP 54 2HB TRP 54 -11.389 4.399 3.513 427 2HB TRP 54 1HB TRP 54 -11.100 2.732 3.029 428 HD1 TRP 54 HD TRP 54 -13.134 4.502 5.833 429 HE1 TRP 54 1HE TRP 54 -15.383 3.273 6.056 430 HE3 TRP 54 3HE TRP 54 -12.398 0.848 2.340 431 HZ2 TRP 54 2HZ TRP 54 -16.664 1.024 4.910 432 HZ3 TRP 54 3HZ TRP 54 -14.180 -0.807 1.969 433 HH2 TRP 54 HH TRP 54 -16.265 -0.718 3.228 434 H HIS 55 H HIS 55 -8.496 1.628 4.216 435 HA HIS 55 HA HIS 55 -6.609 3.754 3.418 436 1HB HIS 55 2HB HIS 55 -5.783 0.918 4.002 437 2HB HIS 55 1HB HIS 55 -4.809 2.381 4.044 438 HD1 HIS 55 1HD HIS 55 -5.877 4.153 6.024 439 HD2 HIS 55 2HD HIS 55 -6.306 0.049 6.488 440 HE1 HIS 55 1HE HIS 55 -6.316 3.798 8.474 441 HE2 HIS 55 2HE HIS 55 -6.479 1.299 8.747 442 H CYS 56 H CYS 56 -5.466 3.443 1.388 443 HA CYS 56 HA CYS 56 -6.351 1.212 -0.249 444 1HB CYS 56 2HB CYS 56 -8.119 2.894 -0.538 445 2HB CYS 56 1HB CYS 56 -6.917 4.058 -1.084 446 HG CYS 56 HG CYS 56 -6.784 2.926 -3.304 447 H ILE 57 H ILE 57 -5.226 0.851 -2.115 448 HA ILE 57 HA ILE 57 -2.972 2.515 -2.855 449 HB ILE 57 HB ILE 57 -2.570 -0.349 -1.962 450 1HG1 ILE 57 2HG1 ILE 57 -1.597 2.251 -0.753 451 2HG1 ILE 57 1HG1 ILE 57 -2.806 1.174 -0.061 452 1HG2 ILE 57 1HG2 ILE 57 -1.194 0.949 -3.919 453 2HG2 ILE 57 2HG2 ILE 57 -0.540 -0.349 -2.922 454 3HG2 ILE 57 3HG2 ILE 57 -0.227 1.333 -2.495 455 1HD1 ILE 57 1HD1 ILE 57 -1.201 0.108 1.010 456 2HD1 ILE 57 2HD1 ILE 57 0.018 1.122 0.239 457 3HD1 ILE 57 3HD1 ILE 57 -0.503 -0.375 -0.535 458 H VAL 58 H VAL 58 -2.569 2.325 -5.029 459 HA VAL 58 HA VAL 58 -3.759 0.042 -6.446 460 HB VAL 58 HB VAL 58 -4.070 2.922 -7.309 461 1HG1 VAL 58 1HG1 VAL 58 -3.991 1.715 -9.288 462 2HG1 VAL 58 2HG1 VAL 58 -5.718 1.765 -8.933 463 3HG1 VAL 58 3HG1 VAL 58 -4.787 0.309 -8.580 464 1HG2 VAL 58 1HG2 VAL 58 -5.905 1.011 -5.923 465 2HG2 VAL 58 2HG2 VAL 58 -6.560 2.250 -6.995 466 3HG2 VAL 58 3HG2 VAL 58 -5.602 2.716 -5.589 467 H GLY 59 H GLY 59 -2.575 -0.742 -8.100 468 1HA GLY 59 2HA GLY 59 -0.754 0.713 -9.656 469 2HA GLY 59 1HA GLY 59 0.138 -0.035 -8.339 470 H ARG 60 H ARG 60 1.210 -1.702 -9.188 471 HA ARG 60 HA ARG 60 -0.079 -4.044 -10.025 472 1HB ARG 60 2HB ARG 60 0.568 -4.063 -12.430 473 2HB ARG 60 1HB ARG 60 -0.673 -2.878 -12.046 474 1HG ARG 60 2HG ARG 60 0.992 -1.106 -12.052 475 2HG ARG 60 1HG ARG 60 2.258 -2.284 -12.390 476 1HD ARG 60 2HD ARG 60 1.219 -2.828 -14.516 477 2HD ARG 60 1HD ARG 60 -0.114 -1.726 -14.169 478 HE ARG 60 HE ARG 60 1.186 -0.038 -14.957 479 1HH1 ARG 60 1HH1 ARG 60 3.301 -2.619 -13.930 480 2HH1 ARG 60 2HH1 ARG 60 4.746 -1.788 -14.398 481 1HH2 ARG 60 1HH2 ARG 60 3.086 1.052 -15.573 482 2HH2 ARG 60 2HH2 ARG 60 4.624 0.294 -15.332 483 H ASN 61 H ASN 61 1.952 -3.508 -8.267 484 HA ASN 61 HA ASN 61 3.796 -5.450 -8.569 485 1HB ASN 61 2HB ASN 61 4.617 -4.374 -10.619 486 2HB ASN 61 1HB ASN 61 4.911 -2.885 -9.737 487 1HD2 ASN 61 1HD2 ASN 61 5.637 -5.657 -7.903 488 2HD2 ASN 61 2HD2 ASN 61 7.343 -5.652 -8.147 489 H PHE 62 H PHE 62 3.234 -5.266 -6.305 490 HA PHE 62 HA PHE 62 5.203 -3.826 -4.814 491 1HB PHE 62 2HB PHE 62 3.766 -2.319 -3.608 492 2HB PHE 62 1HB PHE 62 3.564 -2.031 -5.331 493 HD1 PHE 62 1HD PHE 62 1.638 -3.649 -6.376 494 HD2 PHE 62 2HD PHE 62 1.846 -2.228 -2.373 495 HE1 PHE 62 1HE PHE 62 -0.792 -3.956 -6.146 496 HE2 PHE 62 2HE PHE 62 -0.583 -2.532 -2.134 497 HZ PHE 62 HZ PHE 62 -1.906 -3.397 -4.023 498 H GLY 63 H GLY 63 5.646 -4.853 -3.005 499 1HA GLY 63 2HA GLY 63 3.751 -6.898 -2.042 500 2HA GLY 63 1HA GLY 63 5.475 -6.858 -1.687 501 H SER 64 H SER 64 2.830 -6.754 0.002 502 HA SER 64 HA SER 64 3.934 -4.953 1.957 503 1HB SER 64 2HB SER 64 1.299 -4.208 0.680 504 2HB SER 64 1HB SER 64 2.097 -3.362 2.003 505 HG SER 64 HG SER 64 2.588 -3.272 -0.695 506 H TYR 65 H TYR 65 2.699 -4.767 3.901 507 HA TYR 65 HA TYR 65 0.801 -6.967 4.356 508 1HB TYR 65 2HB TYR 65 3.146 -6.093 6.014 509 2HB TYR 65 1HB TYR 65 1.751 -6.838 6.784 510 HD1 TYR 65 1HD TYR 65 3.986 -7.462 3.847 511 HD2 TYR 65 2HD TYR 65 1.846 -9.096 7.138 512 HE1 TYR 65 1HE TYR 65 4.868 -9.689 3.310 513 HE2 TYR 65 2HE TYR 65 2.721 -11.329 6.611 514 HH TYR 65 HH TYR 65 4.676 -12.309 5.427 515 H VAL 66 H VAL 66 -0.868 -6.548 5.825 516 HA VAL 66 HA VAL 66 -1.132 -3.940 7.046 517 HB VAL 66 HB VAL 66 -3.119 -4.797 4.943 518 1HG1 VAL 66 1HG1 VAL 66 -4.332 -3.555 6.474 519 2HG1 VAL 66 2HG1 VAL 66 -3.835 -2.338 5.299 520 3HG1 VAL 66 3HG1 VAL 66 -2.977 -2.484 6.833 521 1HG2 VAL 66 1HG2 VAL 66 -1.131 -4.109 3.807 522 2HG2 VAL 66 2HG2 VAL 66 -0.966 -2.691 4.841 523 3HG2 VAL 66 3HG2 VAL 66 -2.298 -2.793 3.691 524 H THR 67 H THR 67 -3.141 -3.792 8.325 525 HA THR 67 HA THR 67 -4.246 -6.439 9.008 526 HB THR 67 HB THR 67 -3.592 -4.200 10.947 527 HG1 THR 67 1HG THR 67 -1.897 -5.417 11.569 528 1HG2 THR 67 1HG2 THR 67 -5.546 -5.676 11.546 529 2HG2 THR 67 2HG2 THR 67 -4.221 -5.620 12.709 530 3HG2 THR 67 3HG2 THR 67 -4.393 -7.007 11.633 531 H HIS 68 H HIS 68 -6.438 -6.522 9.355 532 HA HIS 68 HA HIS 68 -8.009 -4.096 9.570 533 1HB HIS 68 2HB HIS 68 -9.247 -4.522 7.477 534 2HB HIS 68 1HB HIS 68 -7.538 -4.209 7.161 535 HD1 HIS 68 1HD HIS 68 -10.014 -7.046 7.310 536 HD2 HIS 68 2HD HIS 68 -6.145 -6.294 6.003 537 HE1 HIS 68 1HE HIS 68 -9.306 -9.115 6.084 538 HE2 HIS 68 2HE HIS 68 -7.043 -8.563 5.135 539 H GLU 69 H GLU 69 -10.121 -4.482 10.193 540 HA GLU 69 HA GLU 69 -10.615 -6.943 11.539 541 1HB GLU 69 2HB GLU 69 -12.777 -5.996 12.109 542 2HB GLU 69 1HB GLU 69 -11.526 -4.774 12.310 543 1HG GLU 69 2HG GLU 69 -12.134 -3.781 10.175 544 2HG GLU 69 1HG GLU 69 -13.364 -5.023 9.943 545 H THR 70 H THR 70 -12.142 -8.564 11.047 546 HA THR 70 HA THR 70 -12.284 -9.377 8.405 547 HB THR 70 HB THR 70 -14.036 -10.957 9.136 548 HG1 THR 70 1HG THR 70 -15.015 -9.414 10.629 549 1HG2 THR 70 1HG2 THR 70 -11.591 -10.610 10.804 550 2HG2 THR 70 2HG2 THR 70 -11.986 -11.867 9.631 551 3HG2 THR 70 3HG2 THR 70 -12.769 -11.857 11.210 552 H LYS 71 H LYS 71 -13.829 -9.322 6.807 553 HA LYS 71 HA LYS 71 -15.543 -8.508 5.546 554 1HB LYS 71 2HB LYS 71 -16.768 -7.607 8.157 555 2HB LYS 71 1HB LYS 71 -17.595 -7.779 6.618 556 1HG LYS 71 2HG LYS 71 -16.366 -10.041 8.181 557 2HG LYS 71 1HG LYS 71 -18.075 -9.610 8.189 558 1HD LYS 71 2HD LYS 71 -18.034 -11.308 6.630 559 2HD LYS 71 1HD LYS 71 -17.867 -9.885 5.602 560 1HE LYS 71 2HE LYS 71 -16.311 -11.679 4.974 561 2HE LYS 71 1HE LYS 71 -15.467 -10.222 5.478 562 1HZ LYS 71 1HZ LYS 71 -14.894 -12.655 6.389 563 2HZ LYS 71 2HZ LYS 71 -15.989 -12.153 7.577 564 3HZ LYS 71 3HZ LYS 71 -14.601 -11.239 7.268 565 H HIS 72 H HIS 72 -13.218 -6.969 6.151 566 HA HIS 72 HA HIS 72 -14.169 -4.378 5.292 567 1HB HIS 72 2HB HIS 72 -12.601 -4.648 7.865 568 2HB HIS 72 1HB HIS 72 -12.938 -3.129 7.046 569 HD1 HIS 72 1HD HIS 72 -14.856 -5.990 8.658 570 HD2 HIS 72 2HD HIS 72 -15.248 -1.937 7.846 571 HE1 HIS 72 1HE HIS 72 -17.007 -5.290 9.751 572 HE2 HIS 72 2HE HIS 72 -17.183 -2.817 9.313 573 H PHE 73 H PHE 73 -12.880 -6.042 3.739 574 HA PHE 73 HA PHE 73 -10.478 -4.663 3.063 575 1HB PHE 73 2HB PHE 73 -9.490 -6.052 4.784 576 2HB PHE 73 1HB PHE 73 -10.256 -7.491 4.121 577 HD1 PHE 73 1HD PHE 73 -8.079 -4.728 2.865 578 HD2 PHE 73 2HD PHE 73 -8.856 -8.909 3.000 579 HE1 PHE 73 1HE PHE 73 -6.099 -5.138 1.465 580 HE2 PHE 73 2HE PHE 73 -6.882 -9.328 1.598 581 HZ PHE 73 HZ PHE 73 -5.495 -7.441 0.830 582 H ILE 74 H ILE 74 -9.867 -5.072 0.913 583 HA ILE 74 HA ILE 74 -10.841 -7.338 -0.521 584 HB ILE 74 HB ILE 74 -12.961 -6.203 -0.408 585 1HG1 ILE 74 2HG1 ILE 74 -11.709 -5.889 -3.146 586 2HG1 ILE 74 1HG1 ILE 74 -12.435 -7.358 -2.504 587 1HG2 ILE 74 1HG2 ILE 74 -11.786 -3.837 -1.827 588 2HG2 ILE 74 2HG2 ILE 74 -11.887 -3.925 -0.068 589 3HG2 ILE 74 3HG2 ILE 74 -13.357 -3.984 -1.039 590 1HD1 ILE 74 1HD1 ILE 74 -13.684 -5.003 -3.694 591 2HD1 ILE 74 2HD1 ILE 74 -14.470 -5.584 -2.227 592 3HD1 ILE 74 3HD1 ILE 74 -14.252 -6.669 -3.599 593 H TYR 75 H TYR 75 -9.844 -7.636 -2.419 594 HA TYR 75 HA TYR 75 -8.210 -5.461 -3.542 595 1HB TYR 75 2HB TYR 75 -6.755 -6.922 -2.189 596 2HB TYR 75 1HB TYR 75 -7.315 -8.320 -3.097 597 HD1 TYR 75 1HD TYR 75 -5.954 -4.931 -3.946 598 HD2 TYR 75 2HD TYR 75 -5.773 -9.132 -4.589 599 HE1 TYR 75 1HE TYR 75 -4.127 -4.603 -5.559 600 HE2 TYR 75 2HE TYR 75 -3.950 -8.816 -6.203 601 HH TYR 75 HH TYR 75 -2.333 -5.801 -6.579 602 H PHE 76 H PHE 76 -8.210 -5.385 -5.779 603 HA PHE 76 HA PHE 76 -8.986 -7.618 -7.389 604 1HB PHE 76 2HB PHE 76 -11.110 -6.627 -8.209 605 2HB PHE 76 1HB PHE 76 -11.170 -7.072 -6.505 606 HD1 PHE 76 1HD PHE 76 -10.583 -5.156 -4.826 607 HD2 PHE 76 2HD PHE 76 -11.819 -4.539 -8.847 608 HE1 PHE 76 1HE PHE 76 -11.254 -2.858 -4.263 609 HE2 PHE 76 2HE PHE 76 -12.490 -2.242 -8.296 610 HZ PHE 76 HZ PHE 76 -12.212 -1.396 -5.998 611 H TYR 77 H TYR 77 -8.536 -7.342 -9.523 612 HA TYR 77 HA TYR 77 -7.042 -4.987 -10.288 613 1HB TYR 77 2HB TYR 77 -7.761 -7.483 -11.842 614 2HB TYR 77 1HB TYR 77 -6.677 -6.219 -12.412 615 HD1 TYR 77 1HD TYR 77 -4.709 -5.665 -10.665 616 HD2 TYR 77 2HD TYR 77 -6.798 -9.362 -10.934 617 HE1 TYR 77 1HE TYR 77 -2.813 -6.807 -9.595 618 HE2 TYR 77 2HE TYR 77 -4.908 -10.513 -9.862 619 HH TYR 77 HH TYR 77 -3.003 -9.874 -8.309 620 H LEU 78 H LEU 78 -7.558 -3.623 -12.095 621 HA LEU 78 HA LEU 78 -10.072 -3.884 -13.442 622 1HB LEU 78 2HB LEU 78 -10.866 -3.012 -11.312 623 2HB LEU 78 1HB LEU 78 -9.753 -1.665 -11.426 624 HG LEU 78 HG LEU 78 -10.953 -0.748 -13.306 625 1HD1 LEU 78 1HD1 LEU 78 -12.108 -3.429 -13.403 626 2HD1 LEU 78 2HD1 LEU 78 -11.903 -2.232 -14.682 627 3HD1 LEU 78 3HD1 LEU 78 -13.290 -2.135 -13.598 628 1HD2 LEU 78 1HD2 LEU 78 -12.508 0.197 -12.011 629 2HD2 LEU 78 2HD2 LEU 78 -11.906 -0.862 -10.736 630 3HD2 LEU 78 3HD2 LEU 78 -13.309 -1.343 -11.692 631 H GLY 79 H GLY 79 -10.078 -2.855 -15.332 632 1HA GLY 79 2HA GLY 79 -9.461 -1.509 -17.075 633 2HA GLY 79 1HA GLY 79 -8.772 -0.411 -15.887 634 H GLN 80 H GLN 80 -6.683 -1.255 -14.889 635 HA GLN 80 HA GLN 80 -5.062 -3.080 -16.228 636 1HB GLN 80 2HB GLN 80 -5.241 -1.429 -18.078 637 2HB GLN 80 1HB GLN 80 -4.541 -0.206 -17.029 638 1HG GLN 80 2HG GLN 80 -2.460 -1.425 -16.931 639 2HG GLN 80 1HG GLN 80 -3.158 -2.743 -17.868 640 1HE2 GLN 80 1HE2 GLN 80 -1.244 -0.088 -18.037 641 2HE2 GLN 80 2HE2 GLN 80 -1.388 0.271 -19.720 642 H VAL 81 H VAL 81 -5.722 -2.196 -13.598 643 HA VAL 81 HA VAL 81 -3.100 -2.094 -12.451 644 HB VAL 81 HB VAL 81 -3.473 -0.044 -11.105 645 1HG1 VAL 81 1HG1 VAL 81 -2.720 1.480 -12.729 646 2HG1 VAL 81 2HG1 VAL 81 -3.593 0.658 -14.024 647 3HG1 VAL 81 3HG1 VAL 81 -2.179 -0.101 -13.292 648 1HG2 VAL 81 1HG2 VAL 81 -5.887 0.205 -12.876 649 2HG2 VAL 81 2HG2 VAL 81 -5.173 1.593 -12.055 650 3HG2 VAL 81 3HG2 VAL 81 -5.806 0.243 -11.115 651 H ALA 82 H ALA 82 -3.101 -2.891 -10.390 652 HA ALA 82 HA ALA 82 -5.575 -4.053 -9.464 653 1HB ALA 82 1HB ALA 82 -3.216 -4.260 -7.732 654 2HB ALA 82 2HB ALA 82 -2.996 -4.877 -9.368 655 3HB ALA 82 3HB ALA 82 -4.287 -5.516 -8.352 656 H ILE 83 H ILE 83 -6.906 -3.204 -8.002 657 HA ILE 83 HA ILE 83 -5.954 -0.924 -6.408 658 HB ILE 83 HB ILE 83 -8.780 -1.723 -7.131 659 1HG1 ILE 83 2HG1 ILE 83 -8.746 0.496 -8.310 660 2HG1 ILE 83 1HG1 ILE 83 -7.018 0.580 -7.983 661 1HG2 ILE 83 1HG2 ILE 83 -8.737 -0.778 -4.898 662 2HG2 ILE 83 2HG2 ILE 83 -9.461 0.367 -6.028 663 3HG2 ILE 83 3HG2 ILE 83 -7.802 0.602 -5.476 664 1HD1 ILE 83 1HD1 ILE 83 -7.879 -1.893 -9.278 665 2HD1 ILE 83 2HD1 ILE 83 -6.521 -0.826 -9.635 666 3HD1 ILE 83 3HD1 ILE 83 -8.133 -0.432 -10.232 667 H LEU 84 H LEU 84 -5.931 -1.006 -4.237 668 HA LEU 84 HA LEU 84 -7.056 -3.409 -2.954 669 1HB LEU 84 2HB LEU 84 -4.604 -3.437 -2.990 670 2HB LEU 84 1HB LEU 84 -4.569 -1.872 -2.198 671 HG LEU 84 HG LEU 84 -5.608 -2.860 -0.200 672 1HD1 LEU 84 1HD1 LEU 84 -5.357 -5.528 -0.331 673 2HD1 LEU 84 2HD1 LEU 84 -5.819 -5.188 -1.999 674 3HD1 LEU 84 3HD1 LEU 84 -6.862 -4.677 -0.673 675 1HD2 LEU 84 1HD2 LEU 84 -3.671 -4.323 0.435 676 2HD2 LEU 84 2HD2 LEU 84 -3.233 -2.736 -0.199 677 3HD2 LEU 84 3HD2 LEU 84 -3.096 -4.164 -1.225 678 H LEU 85 H LEU 85 -8.628 -2.996 -1.551 679 HA LEU 85 HA LEU 85 -8.807 -0.286 -0.418 680 1HB LEU 85 2HB LEU 85 -10.702 -0.917 -1.822 681 2HB LEU 85 1HB LEU 85 -10.973 -2.336 -0.832 682 HG LEU 85 HG LEU 85 -11.499 -0.890 1.093 683 1HD1 LEU 85 1HD1 LEU 85 -12.038 1.576 -0.020 684 2HD1 LEU 85 2HD1 LEU 85 -10.466 1.148 -0.698 685 3HD1 LEU 85 3HD1 LEU 85 -10.692 1.184 1.051 686 1HD2 LEU 85 1HD2 LEU 85 -13.092 -0.367 -1.412 687 2HD2 LEU 85 2HD2 LEU 85 -13.650 -0.032 0.226 688 3HD2 LEU 85 3HD2 LEU 85 -13.319 -1.691 -0.269 689 H PHE 86 H PHE 86 -9.061 0.036 1.718 690 HA PHE 86 HA PHE 86 -9.044 -2.302 3.496 691 1HB PHE 86 2HB PHE 86 -7.100 -0.045 3.361 692 2HB PHE 86 1HB PHE 86 -7.470 -0.747 4.930 693 HD1 PHE 86 1HD PHE 86 -7.396 -3.400 4.929 694 HD2 PHE 86 2HD PHE 86 -5.302 -0.875 2.224 695 HE1 PHE 86 1HE PHE 86 -5.770 -5.193 4.530 696 HE2 PHE 86 2HE PHE 86 -3.665 -2.662 1.811 697 HZ PHE 86 HZ PHE 86 -3.894 -4.824 2.962 698 H LYS 87 H LYS 87 -9.779 -1.911 5.624 699 HA LYS 87 HA LYS 87 -10.950 0.645 6.271 700 1HB LYS 87 2HB LYS 87 -12.804 -0.193 5.069 701 2HB LYS 87 1HB LYS 87 -12.612 -1.806 5.736 702 1HG LYS 87 2HG LYS 87 -14.545 -0.541 6.640 703 2HG LYS 87 1HG LYS 87 -13.408 -1.099 7.868 704 1HD LYS 87 2HD LYS 87 -12.430 1.111 8.008 705 2HD LYS 87 1HD LYS 87 -13.465 1.678 6.704 706 1HE LYS 87 2HE LYS 87 -14.389 0.691 9.398 707 2HE LYS 87 1HE LYS 87 -14.316 2.376 8.885 708 1HZ LYS 87 1HZ LYS 87 -16.200 0.275 8.108 709 2HZ LYS 87 2HZ LYS 87 -15.819 1.458 6.961 710 3HZ LYS 87 3HZ LYS 87 -16.485 1.907 8.449 711 H SER 88 H SER 88 -10.476 1.008 8.318 712 HA SER 88 HA SER 88 -10.268 -1.288 10.139 713 1HB SER 88 2HB SER 88 -8.592 1.230 10.147 714 2HB SER 88 1HB SER 88 -8.493 -0.063 11.341 715 HG SER 88 HG SER 88 -7.967 -0.292 8.561 716 H GLY 89 H GLY 89 -11.328 -1.185 12.015 717 1HA GLY 89 2HA GLY 89 -12.025 1.154 13.408 718 2HA GLY 89 1HA GLY 89 -13.386 0.690 12.397 719 1H MET 1 1HT MET 1 29.345 -0.833 10.790 720 2H MET 1 2HT MET 1 29.123 -0.272 9.183 721 3H MET 1 3HT MET 1 28.804 -1.913 9.574 722 HA MET 1 HA MET 1 26.836 -0.483 9.307 723 1HB MET 1 2HB MET 1 25.745 -1.467 11.287 724 2HB MET 1 1HB MET 1 26.797 -2.623 10.481 725 1HG MET 1 2HG MET 1 28.527 -2.216 12.156 726 2HG MET 1 1HG MET 1 27.466 -1.065 12.967 727 1HE MET 1 1HE MET 1 27.075 -5.595 12.724 728 2HE MET 1 2HE MET 1 27.804 -4.505 11.544 729 3HE MET 1 3HE MET 1 26.057 -4.745 11.563 730 H CYS 2 H CYS 2 28.616 1.578 9.750 731 HA CYS 2 HA CYS 2 28.385 2.904 12.203 732 1HB CYS 2 2HB CYS 2 28.765 4.076 9.439 733 2HB CYS 2 1HB CYS 2 29.041 4.934 10.952 734 HG CYS 2 HG CYS 2 31.172 3.665 11.315 735 H ASP 3 H ASP 3 26.409 3.112 9.270 736 HA ASP 3 HA ASP 3 24.121 3.935 10.813 737 1HB ASP 3 2HB ASP 3 25.289 5.822 8.754 738 2HB ASP 3 1HB ASP 3 23.721 6.015 9.531 739 H ARG 4 H ARG 4 22.279 3.254 9.885 740 HA ARG 4 HA ARG 4 22.330 1.533 7.672 741 1HB ARG 4 2HB ARG 4 20.630 1.573 9.530 742 2HB ARG 4 1HB ARG 4 19.921 2.987 8.770 743 1HG ARG 4 2HG ARG 4 18.621 1.117 8.137 744 2HG ARG 4 1HG ARG 4 19.558 1.595 6.721 745 1HD ARG 4 2HD ARG 4 20.465 -0.561 8.611 746 2HD ARG 4 1HD ARG 4 19.418 -0.894 7.234 747 HE ARG 4 HE ARG 4 21.597 0.498 6.253 748 1HH1 ARG 4 1HH1 ARG 4 21.012 -2.535 7.873 749 2HH1 ARG 4 2HH1 ARG 4 22.350 -3.337 7.122 750 1HH2 ARG 4 1HH2 ARG 4 23.358 -0.555 5.263 751 2HH2 ARG 4 2HH2 ARG 4 23.682 -2.213 5.643 752 H LYS 5 H LYS 5 22.446 1.976 5.569 753 HA LYS 5 HA LYS 5 22.433 4.593 4.540 754 1HB LYS 5 2HB LYS 5 22.108 1.979 3.048 755 2HB LYS 5 1HB LYS 5 22.575 3.520 2.342 756 1HG LYS 5 2HG LYS 5 24.153 1.970 4.384 757 2HG LYS 5 1HG LYS 5 24.499 2.067 2.655 758 1HD LYS 5 2HD LYS 5 24.831 4.485 2.861 759 2HD LYS 5 1HD LYS 5 24.488 4.386 4.590 760 1HE LYS 5 2HE LYS 5 26.422 2.917 4.887 761 2HE LYS 5 1HE LYS 5 26.764 3.015 3.160 762 1HZ LYS 5 1HZ LYS 5 27.622 5.074 3.356 763 2HZ LYS 5 2HZ LYS 5 27.891 4.600 4.958 764 3HZ LYS 5 3HZ LYS 5 26.545 5.547 4.573 765 H ALA 6 H ALA 6 20.693 3.366 2.143 766 HA ALA 6 HA ALA 6 18.567 3.591 1.372 767 1HB ALA 6 1HB ALA 6 16.723 3.182 2.853 768 2HB ALA 6 2HB ALA 6 17.723 3.522 4.264 769 3HB ALA 6 3HB ALA 6 18.040 2.092 3.284 770 H VAL 7 H VAL 7 17.697 5.398 0.559 771 HA VAL 7 HA VAL 7 18.124 7.903 1.927 772 HB VAL 7 HB VAL 7 17.196 8.924 -0.093 773 1HG1 VAL 7 1HG1 VAL 7 19.513 8.671 -0.171 774 2HG1 VAL 7 2HG1 VAL 7 18.960 7.986 -1.698 775 3HG1 VAL 7 3HG1 VAL 7 19.404 6.923 -0.364 776 1HG2 VAL 7 1HG2 VAL 7 16.023 7.832 -1.646 777 2HG2 VAL 7 2HG2 VAL 7 15.927 6.517 -0.476 778 3HG2 VAL 7 3HG2 VAL 7 17.188 6.509 -1.709 779 H ILE 8 H ILE 8 16.585 9.217 2.775 780 HA ILE 8 HA ILE 8 13.867 8.090 2.958 781 HB ILE 8 HB ILE 8 15.199 9.940 4.937 782 1HG1 ILE 8 2HG1 ILE 8 14.832 6.940 4.970 783 2HG1 ILE 8 1HG1 ILE 8 16.352 7.822 4.975 784 1HG2 ILE 8 1HG2 ILE 8 13.080 8.501 6.095 785 2HG2 ILE 8 2HG2 ILE 8 12.486 9.101 4.548 786 3HG2 ILE 8 3HG2 ILE 8 13.145 10.226 5.736 787 1HD1 ILE 8 1HD1 ILE 8 14.418 7.355 7.172 788 2HD1 ILE 8 2HD1 ILE 8 15.398 8.822 7.196 789 3HD1 ILE 8 3HD1 ILE 8 16.177 7.240 7.168 790 H LYS 9 H LYS 9 12.098 9.420 2.643 791 HA LYS 9 HA LYS 9 12.637 12.217 1.935 792 1HB LYS 9 2HB LYS 9 10.934 10.367 0.260 793 2HB LYS 9 1HB LYS 9 11.287 12.058 -0.071 794 1HG LYS 9 2HG LYS 9 13.665 11.491 -0.332 795 2HG LYS 9 1HG LYS 9 13.269 9.792 -0.058 796 1HD LYS 9 2HD LYS 9 13.472 10.248 -2.439 797 2HD LYS 9 1HD LYS 9 11.809 9.825 -2.031 798 1HE LYS 9 2HE LYS 9 11.898 11.712 -3.582 799 2HE LYS 9 1HE LYS 9 11.196 12.183 -2.036 800 1HZ LYS 9 1HZ LYS 9 14.050 12.553 -2.188 801 2HZ LYS 9 2HZ LYS 9 12.849 13.612 -1.641 802 3HZ LYS 9 3HZ LYS 9 13.184 13.495 -3.295 803 H ASN 10 H ASN 10 11.076 10.374 4.020 804 HA ASN 10 HA ASN 10 9.057 12.342 4.531 805 1HB ASN 10 2HB ASN 10 8.207 9.583 3.643 806 2HB ASN 10 1HB ASN 10 7.148 10.705 4.488 807 1HD2 ASN 10 1HD2 ASN 10 7.876 9.550 1.549 808 2HD2 ASN 10 2HD2 ASN 10 7.407 10.890 0.566 809 H ALA 11 H ALA 11 11.227 11.470 6.024 810 HA ALA 11 HA ALA 11 10.556 9.485 7.934 811 1HB ALA 11 1HB ALA 11 12.684 11.488 7.588 812 2HB ALA 11 2HB ALA 11 12.784 9.796 8.072 813 3HB ALA 11 3HB ALA 11 12.347 11.028 9.256 814 H ASP 12 H ASP 12 9.443 9.604 9.822 815 HA ASP 12 HA ASP 12 8.998 11.960 11.298 816 1HB ASP 12 2HB ASP 12 7.590 12.562 9.368 817 2HB ASP 12 1HB ASP 12 6.655 11.089 9.594 818 H MET 13 H MET 13 9.786 10.022 12.595 819 HA MET 13 HA MET 13 7.721 9.165 14.298 820 1HB MET 13 2HB MET 13 7.779 6.733 13.824 821 2HB MET 13 1HB MET 13 7.077 7.676 12.519 822 1HG MET 13 2HG MET 13 9.171 7.540 11.281 823 2HG MET 13 1HG MET 13 9.888 6.610 12.596 824 1HE MET 13 1HE MET 13 8.481 4.843 13.664 825 2HE MET 13 2HE MET 13 8.642 3.379 12.692 826 3HE MET 13 3HE MET 13 7.054 4.108 12.934 827 H SER 14 H SER 14 9.960 10.338 15.026 828 HA SER 14 HA SER 14 11.725 10.213 16.457 829 1HB SER 14 2HB SER 14 10.201 8.779 17.771 830 2HB SER 14 1HB SER 14 10.782 7.368 16.887 831 HG SER 14 HG SER 14 12.945 8.114 17.699 832 H GLU 15 H GLU 15 13.861 9.942 16.198 833 HA GLU 15 HA GLU 15 14.940 8.925 13.865 834 1HB GLU 15 2HB GLU 15 17.128 9.144 14.968 835 2HB GLU 15 1HB GLU 15 16.105 10.547 15.239 836 1HG GLU 15 2HG GLU 15 15.540 9.697 17.463 837 2HG GLU 15 1HG GLU 15 16.584 8.304 17.188 838 H GLU 16 H GLU 16 14.822 7.368 17.044 839 HA GLU 16 HA GLU 16 16.252 5.071 16.259 840 1HB GLU 16 2HB GLU 16 15.376 4.041 18.312 841 2HB GLU 16 1HB GLU 16 15.983 5.664 18.608 842 1HG GLU 16 2HG GLU 16 13.702 6.526 18.586 843 2HG GLU 16 1HG GLU 16 13.090 4.903 18.277 844 H MET 17 H MET 17 12.757 5.714 16.405 845 HA MET 17 HA MET 17 11.975 3.122 15.647 846 1HB MET 17 2HB MET 17 10.563 5.749 15.270 847 2HB MET 17 1HB MET 17 9.821 4.187 14.986 848 1HG MET 17 2HG MET 17 10.152 3.610 17.337 849 2HG MET 17 1HG MET 17 10.891 5.187 17.616 850 1HE MET 17 1HE MET 17 7.915 5.945 19.555 851 2HE MET 17 2HE MET 17 9.329 4.891 19.528 852 3HE MET 17 3HE MET 17 7.721 4.217 19.259 853 H GLN 18 H GLN 18 12.388 6.082 13.686 854 HA GLN 18 HA GLN 18 11.795 4.840 11.231 855 1HB GLN 18 2HB GLN 18 12.884 6.760 10.178 856 2HB GLN 18 1HB GLN 18 11.820 7.266 11.480 857 1HG GLN 18 2HG GLN 18 13.789 7.480 12.950 858 2HG GLN 18 1HG GLN 18 14.816 7.070 11.578 859 1HE2 GLN 18 1HE2 GLN 18 13.218 9.523 13.230 860 2HE2 GLN 18 2HE2 GLN 18 13.479 10.796 12.106 861 H GLN 19 H GLN 19 14.842 5.239 12.973 862 HA GLN 19 HA GLN 19 16.467 4.157 10.905 863 1HB GLN 19 2HB GLN 19 16.878 4.647 13.841 864 2HB GLN 19 1HB GLN 19 18.099 3.816 12.882 865 1HG GLN 19 2HG GLN 19 18.220 5.763 11.390 866 2HG GLN 19 1HG GLN 19 17.030 6.589 12.397 867 1HE2 GLN 19 1HE2 GLN 19 17.944 8.056 13.618 868 2HE2 GLN 19 2HE2 GLN 19 19.473 7.927 14.411 869 H ASP 20 H ASP 20 14.794 2.782 13.671 870 HA ASP 20 HA ASP 20 15.930 0.197 13.530 871 1HB ASP 20 2HB ASP 20 14.729 1.002 15.520 872 2HB ASP 20 1HB ASP 20 13.228 1.047 14.601 873 H SER 21 H SER 21 13.171 1.689 11.942 874 HA SER 21 HA SER 21 12.142 -0.706 10.823 875 1HB SER 21 2HB SER 21 10.877 0.787 9.313 876 2HB SER 21 1HB SER 21 10.769 1.322 10.989 877 HG SER 21 HG SER 21 12.104 2.990 10.557 878 H VAL 22 H VAL 22 14.360 1.783 9.635 879 HA VAL 22 HA VAL 22 14.732 0.686 7.062 880 HB VAL 22 HB VAL 22 16.681 2.362 8.652 881 1HG1 VAL 22 1HG1 VAL 22 16.450 2.324 5.670 882 2HG1 VAL 22 2HG1 VAL 22 17.423 1.115 6.510 883 3HG1 VAL 22 3HG1 VAL 22 17.804 2.829 6.682 884 1HG2 VAL 22 1HG2 VAL 22 14.991 3.602 6.578 885 2HG2 VAL 22 2HG2 VAL 22 15.535 4.236 8.131 886 3HG2 VAL 22 3HG2 VAL 22 14.170 3.122 8.064 887 H GLU 23 H GLU 23 16.542 0.336 10.080 888 HA GLU 23 HA GLU 23 18.519 -1.395 9.047 889 1HB GLU 23 2HB GLU 23 18.834 -0.152 11.131 890 2HB GLU 23 1HB GLU 23 17.519 -1.048 11.878 891 1HG GLU 23 2HG GLU 23 18.796 -3.111 11.654 892 2HG GLU 23 1HG GLU 23 20.114 -2.212 10.904 893 H CYS 24 H CYS 24 15.458 -1.931 10.711 894 HA CYS 24 HA CYS 24 15.630 -4.740 10.875 895 1HB CYS 24 2HB CYS 24 14.040 -3.437 12.208 896 2HB CYS 24 1HB CYS 24 13.177 -2.973 10.746 897 HG CYS 24 HG CYS 24 12.929 -5.816 10.660 898 H ALA 25 H ALA 25 14.479 -2.585 8.347 899 HA ALA 25 HA ALA 25 13.241 -4.566 6.746 900 1HB ALA 25 1HB ALA 25 14.448 -2.057 5.632 901 2HB ALA 25 2HB ALA 25 13.003 -1.996 6.640 902 3HB ALA 25 3HB ALA 25 12.986 -2.907 5.130 903 H THR 26 H THR 26 16.480 -3.241 6.971 904 HA THR 26 HA THR 26 17.525 -4.424 4.663 905 HB THR 26 HB THR 26 18.923 -3.646 7.222 906 HG1 THR 26 1HG THR 26 17.787 -1.996 5.946 907 1HG2 THR 26 1HG2 THR 26 20.703 -3.295 5.154 908 2HG2 THR 26 2HG2 THR 26 19.966 -4.858 4.807 909 3HG2 THR 26 3HG2 THR 26 20.744 -4.578 6.364 910 H GLN 27 H GLN 27 17.434 -5.510 8.021 911 HA GLN 27 HA GLN 27 18.886 -7.876 7.737 912 1HB GLN 27 2HB GLN 27 16.561 -7.311 9.590 913 2HB GLN 27 1HB GLN 27 17.699 -8.640 9.764 914 1HG GLN 27 2HG GLN 27 19.520 -7.044 10.076 915 2HG GLN 27 1HG GLN 27 18.379 -5.711 9.898 916 1HE2 GLN 27 1HE2 GLN 27 17.806 -4.841 11.744 917 2HE2 GLN 27 2HE2 GLN 27 17.652 -5.658 13.259 918 H ALA 28 H ALA 28 15.425 -7.234 7.343 919 HA ALA 28 HA ALA 28 14.569 -9.855 6.851 920 1HB ALA 28 1HB ALA 28 13.509 -7.205 5.892 921 2HB ALA 28 2HB ALA 28 12.944 -8.175 7.252 922 3HB ALA 28 3HB ALA 28 12.691 -8.740 5.601 923 H LEU 29 H LEU 29 15.792 -7.372 4.633 924 HA LEU 29 HA LEU 29 15.382 -8.700 2.228 925 1HB LEU 29 2HB LEU 29 17.419 -6.686 3.112 926 2HB LEU 29 1HB LEU 29 17.445 -7.346 1.484 927 HG LEU 29 HG LEU 29 15.030 -5.993 2.662 928 1HD1 LEU 29 1HD1 LEU 29 16.987 -4.739 0.755 929 2HD1 LEU 29 2HD1 LEU 29 17.100 -4.523 2.502 930 3HD1 LEU 29 3HD1 LEU 29 15.667 -3.968 1.636 931 1HD2 LEU 29 1HD2 LEU 29 14.745 -5.687 0.062 932 2HD2 LEU 29 2HD2 LEU 29 14.239 -7.170 0.872 933 3HD2 LEU 29 3HD2 LEU 29 15.779 -7.115 0.013 934 H GLU 30 H GLU 30 18.110 -8.839 4.462 935 HA GLU 30 HA GLU 30 19.727 -10.547 2.886 936 1HB GLU 30 2HB GLU 30 19.727 -10.138 5.882 937 2HB GLU 30 1HB GLU 30 21.011 -10.901 4.955 938 1HG GLU 30 2HG GLU 30 20.114 -8.040 4.693 939 2HG GLU 30 1HG GLU 30 21.557 -8.601 5.536 940 H LYS 31 H LYS 31 17.151 -11.129 5.171 941 HA LYS 31 HA LYS 31 17.683 -13.933 5.447 942 1HB LYS 31 2HB LYS 31 15.267 -12.282 6.196 943 2HB LYS 31 1HB LYS 31 15.483 -13.978 6.607 944 1HG LYS 31 2HG LYS 31 17.452 -13.416 7.928 945 2HG LYS 31 1HG LYS 31 17.262 -11.716 7.499 946 1HD LYS 31 2HD LYS 31 15.077 -11.684 8.604 947 2HD LYS 31 1HD LYS 31 15.266 -13.386 9.027 948 1HE LYS 31 2HE LYS 31 17.047 -11.127 9.936 949 2HE LYS 31 1HE LYS 31 15.815 -11.925 10.912 950 1HZ LYS 31 1HZ LYS 31 17.202 -14.034 10.232 951 2HZ LYS 31 2HZ LYS 31 17.644 -13.082 11.558 952 3HZ LYS 31 3HZ LYS 31 18.445 -12.896 10.080 953 H TYR 32 H TYR 32 15.527 -11.930 3.519 954 HA TYR 32 HA TYR 32 14.859 -14.326 1.961 955 1HB TYR 32 2HB TYR 32 12.963 -12.093 2.701 956 2HB TYR 32 1HB TYR 32 12.582 -13.435 1.627 957 HD1 TYR 32 1HD TYR 32 13.017 -15.833 2.709 958 HD2 TYR 32 2HD TYR 32 12.321 -12.259 4.906 959 HE1 TYR 32 1HE TYR 32 12.286 -17.168 4.641 960 HE2 TYR 32 2HE TYR 32 11.585 -13.580 6.841 961 HH TYR 32 HH TYR 32 12.023 -15.983 7.703 962 H ASN 33 H ASN 33 14.847 -10.776 1.928 963 HA ASN 33 HA ASN 33 15.616 -9.296 0.366 964 1HB ASN 33 2HB ASN 33 17.368 -10.956 -0.232 965 2HB ASN 33 1HB ASN 33 16.249 -11.693 -1.372 966 1HD2 ASN 33 1HD2 ASN 33 16.592 -11.123 -3.378 967 2HD2 ASN 33 2HD2 ASN 33 17.185 -9.595 -3.923 968 H ILE 34 H ILE 34 12.945 -9.843 0.626 969 HA ILE 34 HA ILE 34 12.001 -9.262 -2.083 970 HB ILE 34 HB ILE 34 10.645 -11.257 -0.256 971 1HG1 ILE 34 2HG1 ILE 34 10.972 -12.773 -2.275 972 2HG1 ILE 34 1HG1 ILE 34 12.086 -11.558 -2.891 973 1HG2 ILE 34 1HG2 ILE 34 9.340 -11.394 -2.643 974 2HG2 ILE 34 2HG2 ILE 34 9.674 -9.668 -2.513 975 3HG2 ILE 34 3HG2 ILE 34 8.782 -10.491 -1.235 976 1HD1 ILE 34 1HD1 ILE 34 12.781 -12.181 -0.201 977 2HD1 ILE 34 2HD1 ILE 34 13.718 -12.404 -1.677 978 3HD1 ILE 34 3HD1 ILE 34 12.623 -13.672 -1.129 979 H GLU 35 H GLU 35 10.606 -7.601 -2.137 980 HA GLU 35 HA GLU 35 10.251 -5.844 -0.082 981 1HB GLU 35 2HB GLU 35 8.386 -4.877 -1.335 982 2HB GLU 35 1HB GLU 35 9.718 -5.293 -2.402 983 1HG GLU 35 2HG GLU 35 7.355 -7.097 -1.997 984 2HG GLU 35 1HG GLU 35 7.379 -5.822 -3.211 985 H LYS 36 H LYS 36 8.219 -8.615 -0.863 986 HA LYS 36 HA LYS 36 6.112 -8.052 0.918 987 1HB LYS 36 2HB LYS 36 5.985 -9.723 -0.899 988 2HB LYS 36 1HB LYS 36 7.111 -10.746 -0.020 989 1HG LYS 36 2HG LYS 36 5.391 -10.647 1.884 990 2HG LYS 36 1HG LYS 36 4.273 -10.072 0.646 991 1HD LYS 36 2HD LYS 36 3.985 -12.416 0.762 992 2HD LYS 36 1HD LYS 36 4.931 -12.113 -0.698 993 1HE LYS 36 2HE LYS 36 5.897 -13.979 0.471 994 2HE LYS 36 1HE LYS 36 6.989 -12.601 0.600 995 1HZ LYS 36 1HZ LYS 36 5.039 -13.336 2.708 996 2HZ LYS 36 2HZ LYS 36 6.298 -12.213 2.817 997 3HZ LYS 36 3HZ LYS 36 6.648 -13.864 2.699 998 H ASP 37 H ASP 37 8.892 -10.252 1.288 999 HA ASP 37 HA ASP 37 8.384 -11.050 3.900 1000 1HB ASP 37 2HB ASP 37 11.016 -10.780 2.444 1001 2HB ASP 37 1HB ASP 37 10.823 -11.587 3.997 1002 H ILE 38 H ILE 38 10.259 -8.271 2.736 1003 HA ILE 38 HA ILE 38 11.403 -7.390 5.070 1004 HB ILE 38 HB ILE 38 10.140 -5.671 2.930 1005 1HG1 ILE 38 2HG1 ILE 38 12.990 -6.631 3.282 1006 2HG1 ILE 38 1HG1 ILE 38 11.848 -7.241 2.091 1007 1HG2 ILE 38 1HG2 ILE 38 10.515 -4.367 4.931 1008 2HG2 ILE 38 2HG2 ILE 38 11.708 -3.929 3.708 1009 3HG2 ILE 38 3HG2 ILE 38 12.165 -4.974 5.053 1010 1HD1 ILE 38 1HD1 ILE 38 12.738 -5.747 0.712 1011 2HD1 ILE 38 2HD1 ILE 38 13.522 -4.876 2.029 1012 3HD1 ILE 38 3HD1 ILE 38 11.839 -4.536 1.626 1013 H ALA 39 H ALA 39 8.085 -6.945 3.978 1014 HA ALA 39 HA ALA 39 7.273 -5.247 6.092 1015 1HB ALA 39 1HB ALA 39 5.935 -6.776 3.947 1016 2HB ALA 39 2HB ALA 39 5.759 -5.085 4.418 1017 3HB ALA 39 3HB ALA 39 4.953 -6.348 5.346 1018 H ALA 40 H ALA 40 7.319 -8.757 5.682 1019 HA ALA 40 HA ALA 40 5.722 -9.458 7.868 1020 1HB ALA 40 1HB ALA 40 6.255 -11.155 6.330 1021 2HB ALA 40 2HB ALA 40 7.077 -11.605 7.825 1022 3HB ALA 40 3HB ALA 40 7.988 -10.879 6.501 1023 H HIS 41 H HIS 41 9.275 -9.198 7.709 1024 HA HIS 41 HA HIS 41 9.771 -9.720 10.415 1025 1HB HIS 41 2HB HIS 41 11.310 -8.217 8.314 1026 2HB HIS 41 1HB HIS 41 11.920 -8.390 9.955 1027 HD1 HIS 41 1HD HIS 41 12.078 -11.029 10.749 1028 HD2 HIS 41 2HD HIS 41 12.027 -10.236 6.675 1029 HE1 HIS 41 1HE HIS 41 13.045 -13.074 9.658 1030 HE2 HIS 41 2HE HIS 41 13.201 -12.477 7.217 1031 H ILE 42 H ILE 42 9.732 -6.572 8.750 1032 HA ILE 42 HA ILE 42 10.057 -4.959 10.980 1033 HB ILE 42 HB ILE 42 8.532 -4.328 8.451 1034 1HG1 ILE 42 2HG1 ILE 42 11.428 -3.865 9.200 1035 2HG1 ILE 42 1HG1 ILE 42 10.845 -5.064 8.051 1036 1HG2 ILE 42 1HG2 ILE 42 7.930 -2.550 9.735 1037 2HG2 ILE 42 2HG2 ILE 42 9.500 -1.966 9.186 1038 3HG2 ILE 42 3HG2 ILE 42 9.339 -2.692 10.784 1039 1HD1 ILE 42 1HD1 ILE 42 11.323 -3.489 6.540 1040 2HD1 ILE 42 2HD1 ILE 42 11.267 -2.187 7.727 1041 3HD1 ILE 42 3HD1 ILE 42 9.772 -2.802 7.024 1042 H LYS 43 H LYS 43 7.065 -6.219 9.566 1043 HA LYS 43 HA LYS 43 5.250 -4.737 11.076 1044 1HB LYS 43 2HB LYS 43 4.619 -6.078 9.116 1045 2HB LYS 43 1HB LYS 43 4.938 -7.547 10.028 1046 1HG LYS 43 2HG LYS 43 3.145 -7.011 11.573 1047 2HG LYS 43 1HG LYS 43 2.848 -5.495 10.724 1048 1HD LYS 43 2HD LYS 43 1.205 -7.033 9.973 1049 2HD LYS 43 1HD LYS 43 2.374 -6.860 8.665 1050 1HE LYS 43 2HE LYS 43 2.432 -9.095 10.686 1051 2HE LYS 43 1HE LYS 43 1.626 -9.209 9.124 1052 1HZ LYS 43 1HZ LYS 43 3.587 -9.956 8.413 1053 2HZ LYS 43 2HZ LYS 43 4.426 -9.377 9.761 1054 3HZ LYS 43 3HZ LYS 43 4.097 -8.344 8.462 1055 H LYS 44 H LYS 44 6.362 -8.080 11.717 1056 HA LYS 44 HA LYS 44 5.021 -8.302 14.171 1057 1HB LYS 44 2HB LYS 44 6.470 -10.252 14.583 1058 2HB LYS 44 1HB LYS 44 5.772 -10.266 12.972 1059 1HG LYS 44 2HG LYS 44 7.867 -9.483 12.030 1060 2HG LYS 44 1HG LYS 44 8.573 -9.388 13.645 1061 1HD LYS 44 2HD LYS 44 9.268 -11.429 12.493 1062 2HD LYS 44 1HD LYS 44 8.293 -11.799 13.917 1063 1HE LYS 44 2HE LYS 44 7.645 -13.202 12.038 1064 2HE LYS 44 1HE LYS 44 6.332 -12.116 12.489 1065 1HZ LYS 44 1HZ LYS 44 7.175 -12.446 9.992 1066 2HZ LYS 44 2HZ LYS 44 8.140 -11.131 10.442 1067 3HZ LYS 44 3HZ LYS 44 6.455 -11.017 10.545 1068 H GLU 45 H GLU 45 8.399 -7.405 13.502 1069 HA GLU 45 HA GLU 45 9.319 -7.297 16.107 1070 1HB GLU 45 2HB GLU 45 10.052 -5.540 13.763 1071 2HB GLU 45 1HB GLU 45 10.949 -5.591 15.274 1072 1HG GLU 45 2HG GLU 45 10.518 -7.942 13.445 1073 2HG GLU 45 1HG GLU 45 11.969 -6.945 13.493 1074 H PHE 46 H PHE 46 7.701 -4.717 14.264 1075 HA PHE 46 HA PHE 46 7.769 -2.939 16.521 1076 1HB PHE 46 2HB PHE 46 6.526 -2.737 13.790 1077 2HB PHE 46 1HB PHE 46 6.302 -1.499 15.022 1078 HD1 PHE 46 1HD PHE 46 8.708 -0.939 16.229 1079 HD2 PHE 46 2HD PHE 46 8.095 -2.197 12.213 1080 HE1 PHE 46 1HE PHE 46 10.836 0.112 15.582 1081 HE2 PHE 46 2HE PHE 46 10.225 -1.148 11.557 1082 HZ PHE 46 HZ PHE 46 11.598 0.006 13.241 1083 H ASP 47 H ASP 47 5.244 -4.828 14.889 1084 HA ASP 47 HA ASP 47 3.088 -3.899 16.417 1085 1HB ASP 47 2HB ASP 47 3.549 -6.492 14.954 1086 2HB ASP 47 1HB ASP 47 2.047 -6.160 15.809 1087 H LYS 48 H LYS 48 5.436 -6.432 17.031 1088 HA LYS 48 HA LYS 48 4.100 -7.357 19.406 1089 1HB LYS 48 2HB LYS 48 5.332 -8.963 18.117 1090 2HB LYS 48 1HB LYS 48 6.785 -7.974 18.172 1091 1HG LYS 48 2HG LYS 48 6.961 -9.860 19.677 1092 2HG LYS 48 1HG LYS 48 6.952 -8.340 20.572 1093 1HD LYS 48 2HD LYS 48 5.546 -9.998 21.674 1094 2HD LYS 48 1HD LYS 48 4.574 -8.653 21.073 1095 1HE LYS 48 2HE LYS 48 3.493 -10.792 20.619 1096 2HE LYS 48 1HE LYS 48 3.942 -9.976 19.122 1097 1HZ LYS 48 1HZ LYS 48 5.450 -11.553 18.611 1098 2HZ LYS 48 2HZ LYS 48 4.481 -12.523 19.600 1099 3HZ LYS 48 3HZ LYS 48 5.896 -11.832 20.220 1100 H LYS 49 H LYS 49 6.893 -5.374 18.612 1101 HA LYS 49 HA LYS 49 7.693 -5.016 21.339 1102 1HB LYS 49 2HB LYS 49 9.331 -5.007 19.546 1103 2HB LYS 49 1HB LYS 49 8.543 -3.617 18.810 1104 1HG LYS 49 2HG LYS 49 10.557 -2.972 20.009 1105 2HG LYS 49 1HG LYS 49 9.120 -2.251 20.734 1106 1HD LYS 49 2HD LYS 49 9.118 -3.997 22.454 1107 2HD LYS 49 1HD LYS 49 10.563 -4.707 21.730 1108 1HE LYS 49 2HE LYS 49 11.796 -2.642 22.173 1109 2HE LYS 49 1HE LYS 49 10.352 -1.927 22.887 1110 1HZ LYS 49 1HZ LYS 49 11.907 -2.807 24.550 1111 2HZ LYS 49 2HZ LYS 49 11.715 -4.360 23.911 1112 3HZ LYS 49 3HZ LYS 49 10.400 -3.572 24.622 1113 H TYR 50 H TYR 50 6.647 -2.655 18.903 1114 HA TYR 50 HA TYR 50 6.044 -0.734 20.966 1115 1HB TYR 50 2HB TYR 50 5.815 -0.579 17.962 1116 2HB TYR 50 1HB TYR 50 5.479 0.761 19.054 1117 HD1 TYR 50 1HD TYR 50 8.209 -1.745 18.520 1118 HD2 TYR 50 2HD TYR 50 7.171 2.305 19.292 1119 HE1 TYR 50 1HE TYR 50 10.589 -1.147 18.515 1120 HE2 TYR 50 2HE TYR 50 9.552 2.920 19.283 1121 HH TYR 50 HH TYR 50 11.722 1.875 18.172 1122 H ASN 51 H ASN 51 4.288 -3.124 19.299 1123 HA ASN 51 HA ASN 51 2.131 -3.814 19.791 1124 1HB ASN 51 2HB ASN 51 1.518 -0.984 20.669 1125 2HB ASN 51 1HB ASN 51 0.494 -2.400 20.871 1126 1HD2 ASN 51 1HD2 ASN 51 2.499 -0.391 22.451 1127 2HD2 ASN 51 2HD2 ASN 51 3.036 -1.432 23.720 1128 HA PRO 52 HA PRO 52 0.681 -2.901 15.763 1129 1HB PRO 52 2HB PRO 52 -1.994 -3.553 16.094 1130 2HB PRO 52 1HB PRO 52 -0.702 -4.712 15.766 1131 1HG PRO 52 2HG PRO 52 -1.964 -3.965 18.372 1132 2HG PRO 52 1HG PRO 52 -1.473 -5.563 17.781 1133 1HD PRO 52 2HD PRO 52 0.018 -4.221 19.551 1134 2HD PRO 52 1HD PRO 52 0.767 -5.191 18.265 1135 H THR 53 H THR 53 -1.641 -0.173 15.352 1136 HA THR 53 HA THR 53 -0.648 -2.775 14.404 1137 HB THR 53 HB THR 53 -3.109 -2.543 14.379 1138 HG1 THR 53 1HG THR 53 -2.224 -3.845 12.793 1139 1HG2 THR 53 1HG2 THR 53 -3.310 -0.820 12.089 1140 2HG2 THR 53 2HG2 THR 53 -2.635 0.042 13.472 1141 3HG2 THR 53 3HG2 THR 53 -4.192 -0.775 13.614 1142 H TRP 54 H TRP 54 1.129 -2.568 13.241 1143 HA TRP 54 HA TRP 54 1.659 -0.087 11.831 1144 1HB TRP 54 2HB TRP 54 3.391 -2.527 12.184 1145 2HB TRP 54 1HB TRP 54 3.900 -0.994 11.482 1146 HD1 TRP 54 HD TRP 54 2.198 -2.007 14.826 1147 HE1 TRP 54 1HE TRP 54 3.377 -0.728 16.719 1148 HE3 TRP 54 3HE TRP 54 5.573 0.606 12.024 1149 HZ2 TRP 54 2HZ TRP 54 5.471 1.167 16.982 1150 HZ3 TRP 54 3HZ TRP 54 7.127 2.129 13.171 1151 HH2 TRP 54 HH TRP 54 7.076 2.407 15.596 1152 H HIS 55 H HIS 55 1.477 0.219 9.755 1153 HA HIS 55 HA HIS 55 0.848 -2.070 8.027 1154 1HB HIS 55 2HB HIS 55 0.466 0.867 7.420 1155 2HB HIS 55 1HB HIS 55 -0.222 -0.501 6.552 1156 HD1 HIS 55 1HD HIS 55 -1.762 -2.082 8.368 1157 HD2 HIS 55 2HD HIS 55 -1.381 2.003 9.024 1158 HE1 HIS 55 1HE HIS 55 -3.673 -1.459 9.881 1159 HE2 HIS 55 2HE HIS 55 -3.493 1.036 10.156 1160 H CYS 56 H CYS 56 2.249 -2.620 6.402 1161 HA CYS 56 HA CYS 56 4.489 -0.765 5.914 1162 1HB CYS 56 2HB CYS 56 5.231 -2.615 7.338 1163 2HB CYS 56 1HB CYS 56 4.661 -3.773 6.139 1164 HG CYS 56 HG CYS 56 6.582 -3.088 4.583 1165 H ILE 57 H ILE 57 5.168 -0.486 3.884 1166 HA ILE 57 HA ILE 57 3.980 -2.127 1.751 1167 HB ILE 57 HB ILE 57 4.327 0.869 1.575 1168 1HG1 ILE 57 2HG1 ILE 57 2.566 0.293 3.207 1169 2HG1 ILE 57 1HG1 ILE 57 1.901 1.055 1.766 1170 1HG2 ILE 57 1HG2 ILE 57 3.060 0.693 -0.469 1171 2HG2 ILE 57 2HG2 ILE 57 2.852 -1.040 -0.227 1172 3HG2 ILE 57 3HG2 ILE 57 4.458 -0.381 -0.544 1173 1HD1 ILE 57 1HD1 ILE 57 1.522 -1.659 2.822 1174 2HD1 ILE 57 2HD1 ILE 57 1.687 -1.530 1.069 1175 3HD1 ILE 57 3HD1 ILE 57 0.425 -0.625 1.906 1176 H VAL 58 H VAL 58 5.383 -2.609 0.058 1177 HA VAL 58 HA VAL 58 7.898 -1.184 -0.165 1178 HB VAL 58 HB VAL 58 7.910 -4.140 0.463 1179 1HG1 VAL 58 1HG1 VAL 58 10.323 -3.952 0.464 1180 2HG1 VAL 58 2HG1 VAL 58 10.216 -2.227 0.110 1181 3HG1 VAL 58 3HG1 VAL 58 9.685 -3.407 -1.089 1182 1HG2 VAL 58 1HG2 VAL 58 7.411 -2.955 2.476 1183 2HG2 VAL 58 2HG2 VAL 58 8.666 -1.760 2.147 1184 3HG2 VAL 58 3HG2 VAL 58 9.110 -3.422 2.534 1185 H GLY 59 H GLY 59 8.637 -1.159 -2.201 1186 1HA GLY 59 2HA GLY 59 8.567 -3.181 -4.082 1187 2HA GLY 59 1HA GLY 59 7.056 -2.308 -4.280 1188 H ARG 60 H ARG 60 7.498 -1.476 -6.284 1189 HA ARG 60 HA ARG 60 9.124 0.895 -6.346 1190 1HB ARG 60 2HB ARG 60 9.971 -1.550 -7.886 1191 2HB ARG 60 1HB ARG 60 10.418 0.067 -8.399 1192 1HG ARG 60 2HG ARG 60 11.152 -1.263 -5.802 1193 2HG ARG 60 1HG ARG 60 12.220 -0.928 -7.163 1194 1HD ARG 60 2HD ARG 60 10.859 1.079 -5.374 1195 2HD ARG 60 1HD ARG 60 12.585 0.741 -5.479 1196 HE ARG 60 HE ARG 60 11.584 1.551 -7.997 1197 1HH1 ARG 60 1HH1 ARG 60 12.483 2.785 -4.865 1198 2HH1 ARG 60 2HH1 ARG 60 12.793 4.387 -5.446 1199 1HH2 ARG 60 1HH2 ARG 60 11.980 3.663 -8.761 1200 2HH2 ARG 60 2HH2 ARG 60 12.509 4.885 -7.654 1201 H ASN 61 H ASN 61 6.360 0.313 -6.766 1202 HA ASN 61 HA ASN 61 5.721 1.896 -8.914 1203 1HB ASN 61 2HB ASN 61 6.702 0.156 -10.364 1204 2HB ASN 61 1HB ASN 61 5.601 -1.033 -9.685 1205 1HD2 ASN 61 1HD2 ASN 61 4.141 2.015 -10.046 1206 2HD2 ASN 61 2HD2 ASN 61 3.315 1.701 -11.526 1207 H PHE 62 H PHE 62 4.329 2.391 -7.075 1208 HA PHE 62 HA PHE 62 1.737 1.243 -7.380 1209 1HB PHE 62 2HB PHE 62 1.508 0.278 -5.143 1210 2HB PHE 62 1HB PHE 62 2.769 -0.537 -6.060 1211 HD1 PHE 62 1HD PHE 62 2.227 2.071 -3.472 1212 HD2 PHE 62 2HD PHE 62 4.924 -0.741 -5.184 1213 HE1 PHE 62 1HE PHE 62 3.818 2.488 -1.644 1214 HE2 PHE 62 2HE PHE 62 6.516 -0.334 -3.355 1215 HZ PHE 62 HZ PHE 62 5.966 1.283 -1.580 1216 H GLY 63 H GLY 63 0.215 2.627 -6.786 1217 1HA GLY 63 2HA GLY 63 0.989 5.171 -5.640 1218 2HA GLY 63 1HA GLY 63 -0.619 4.723 -6.197 1219 H SER 64 H SER 64 0.760 5.793 -3.548 1220 HA SER 64 HA SER 64 -0.656 3.915 -1.776 1221 1HB SER 64 2HB SER 64 1.687 5.713 -1.141 1222 2HB SER 64 1HB SER 64 0.868 4.663 0.014 1223 HG SER 64 HG SER 64 2.232 3.836 -2.334 1224 H TYR 65 H TYR 65 -2.136 4.586 -0.382 1225 HA TYR 65 HA TYR 65 -2.476 7.383 0.290 1226 1HB TYR 65 2HB TYR 65 -3.768 6.975 -1.872 1227 2HB TYR 65 1HB TYR 65 -4.793 5.881 -0.950 1228 HD1 TYR 65 1HD TYR 65 -5.632 7.038 1.382 1229 HD2 TYR 65 2HD TYR 65 -4.606 9.082 -2.208 1230 HE1 TYR 65 1HE TYR 65 -7.022 8.943 2.074 1231 HE2 TYR 65 2HE TYR 65 -5.995 10.991 -1.523 1232 HH TYR 65 HH TYR 65 -8.289 10.874 0.757 1233 H VAL 66 H VAL 66 -2.708 7.312 2.446 1234 HA VAL 66 HA VAL 66 -4.547 5.410 3.676 1235 HB VAL 66 HB VAL 66 -1.635 5.448 4.478 1236 1HG1 VAL 66 1HG1 VAL 66 -4.026 3.929 5.441 1237 2HG1 VAL 66 2HG1 VAL 66 -2.824 4.824 6.370 1238 3HG1 VAL 66 3HG1 VAL 66 -2.401 3.277 5.639 1239 1HG2 VAL 66 1HG2 VAL 66 -1.739 4.403 2.330 1240 2HG2 VAL 66 2HG2 VAL 66 -3.136 3.438 2.806 1241 3HG2 VAL 66 3HG2 VAL 66 -1.564 3.134 3.540 1242 H THR 67 H THR 67 -4.554 5.719 6.127 1243 HA THR 67 HA THR 67 -3.911 8.500 6.852 1244 HB THR 67 HB THR 67 -6.368 6.910 7.651 1245 HG1 THR 67 1HG THR 67 -5.958 9.063 5.876 1246 1HG2 THR 67 1HG2 THR 67 -5.356 8.628 9.322 1247 2HG2 THR 67 2HG2 THR 67 -7.087 8.625 8.988 1248 3HG2 THR 67 3HG2 THR 67 -6.041 9.814 8.212 1249 H HIS 68 H HIS 68 -3.055 8.816 8.904 1250 HA HIS 68 HA HIS 68 -2.951 6.661 10.821 1251 1HB HIS 68 2HB HIS 68 -0.472 6.472 10.737 1252 2HB HIS 68 1HB HIS 68 -1.251 5.915 9.255 1253 HD1 HIS 68 1HD HIS 68 0.665 8.870 10.612 1254 HD2 HIS 68 2HD HIS 68 -0.566 7.290 6.973 1255 HE1 HIS 68 1HE HIS 68 1.765 10.288 8.858 1256 HE2 HIS 68 2HE HIS 68 0.924 9.383 6.668 1257 H GLU 69 H GLU 69 -2.074 7.276 12.830 1258 HA GLU 69 HA GLU 69 -2.447 9.956 13.575 1259 1HB GLU 69 2HB GLU 69 -1.511 9.307 15.735 1260 2HB GLU 69 1HB GLU 69 -2.628 8.079 15.150 1261 1HG GLU 69 2HG GLU 69 -0.776 6.696 14.431 1262 2HG GLU 69 1HG GLU 69 0.369 7.942 14.927 1263 H THR 70 H THR 70 -0.988 11.581 14.167 1264 HA THR 70 HA THR 70 1.264 11.885 12.521 1265 HB THR 70 HB THR 70 1.751 13.888 13.904 1266 HG1 THR 70 1HG THR 70 -0.496 13.084 15.429 1267 1HG2 THR 70 1HG2 THR 70 -0.813 13.377 12.619 1268 2HG2 THR 70 2HG2 THR 70 0.293 14.741 12.458 1269 3HG2 THR 70 3HG2 THR 70 -0.848 14.684 13.802 1270 H LYS 71 H LYS 71 3.482 12.095 13.068 1271 HA LYS 71 HA LYS 71 5.452 11.434 13.990 1272 1HB LYS 71 2HB LYS 71 3.856 10.974 16.513 1273 2HB LYS 71 1HB LYS 71 5.604 11.101 16.395 1274 1HG LYS 71 2HG LYS 71 3.720 13.332 15.676 1275 2HG LYS 71 1HG LYS 71 4.439 13.128 17.272 1276 1HD LYS 71 2HD LYS 71 5.856 14.655 16.238 1277 2HD LYS 71 1HD LYS 71 6.691 13.117 16.021 1278 1HE LYS 71 2HE LYS 71 6.682 14.524 13.988 1279 2HE LYS 71 1HE LYS 71 5.910 12.963 13.745 1280 1HZ LYS 71 1HZ LYS 71 4.367 15.401 14.403 1281 2HZ LYS 71 2HZ LYS 71 3.791 13.939 13.775 1282 3HZ LYS 71 3HZ LYS 71 4.728 14.963 12.808 1283 H HIS 72 H HIS 72 3.914 9.584 12.557 1284 HA HIS 72 HA HIS 72 5.188 7.159 13.368 1285 1HB HIS 72 2HB HIS 72 2.189 7.398 13.628 1286 2HB HIS 72 1HB HIS 72 3.007 5.849 13.461 1287 HD1 HIS 72 1HD HIS 72 5.083 5.645 15.385 1288 HD2 HIS 72 2HD HIS 72 1.766 8.002 16.224 1289 HE1 HIS 72 1HE HIS 72 5.047 5.890 17.887 1290 HE2 HIS 72 2HE HIS 72 3.078 7.386 18.364 1291 H PHE 73 H PHE 73 5.930 7.976 11.196 1292 HA PHE 73 HA PHE 73 4.881 6.305 9.174 1293 1HB PHE 73 2HB PHE 73 3.150 8.015 9.020 1294 2HB PHE 73 1HB PHE 73 4.374 9.271 8.865 1295 HD1 PHE 73 1HD PHE 73 5.991 9.040 6.843 1296 HD2 PHE 73 2HD PHE 73 2.225 7.082 7.131 1297 HE1 PHE 73 1HE PHE 73 5.954 8.767 4.400 1298 HE2 PHE 73 2HE PHE 73 2.178 6.804 4.689 1299 HZ PHE 73 HZ PHE 73 4.044 7.646 3.318 1300 H ILE 74 H ILE 74 6.332 6.033 7.500 1301 HA ILE 74 HA ILE 74 8.481 7.912 7.096 1302 HB ILE 74 HB ILE 74 9.303 6.725 9.070 1303 1HG1 ILE 74 2HG1 ILE 74 10.733 6.040 6.493 1304 2HG1 ILE 74 1HG1 ILE 74 10.949 7.493 7.460 1305 1HG2 ILE 74 1HG2 ILE 74 9.344 4.203 7.437 1306 2HG2 ILE 74 2HG2 ILE 74 8.002 4.612 8.507 1307 3HG2 ILE 74 3HG2 ILE 74 9.623 4.396 9.167 1308 1HD1 ILE 74 1HD1 ILE 74 11.532 5.629 9.297 1309 2HD1 ILE 74 2HD1 ILE 74 12.729 6.365 8.230 1310 3HD1 ILE 74 3HD1 ILE 74 12.041 4.792 7.832 1311 H TYR 75 H TYR 75 9.468 7.698 5.175 1312 HA TYR 75 HA TYR 75 8.984 5.294 3.560 1313 1HB TYR 75 2HB TYR 75 7.346 7.051 2.894 1314 2HB TYR 75 1HB TYR 75 8.689 8.133 2.550 1315 HD1 TYR 75 1HD TYR 75 7.741 4.616 1.679 1316 HD2 TYR 75 2HD TYR 75 9.172 8.386 0.320 1317 HE1 TYR 75 1HE TYR 75 7.850 3.741 -0.617 1318 HE2 TYR 75 2HE TYR 75 9.286 7.521 -1.979 1319 HH TYR 75 HH TYR 75 8.322 5.763 -3.333 1320 H PHE 76 H PHE 76 10.786 4.642 2.427 1321 HA PHE 76 HA PHE 76 12.908 6.445 1.774 1322 1HB PHE 76 2HB PHE 76 14.600 5.509 3.273 1323 2HB PHE 76 1HB PHE 76 13.279 6.238 4.179 1324 HD1 PHE 76 1HD PHE 76 14.401 2.936 2.859 1325 HD2 PHE 76 2HD PHE 76 12.304 5.054 5.895 1326 HE1 PHE 76 1HE PHE 76 14.087 0.837 4.101 1327 HE2 PHE 76 2HE PHE 76 11.987 2.958 7.143 1328 HZ PHE 76 HZ PHE 76 12.879 0.847 6.248 1329 H TYR 77 H TYR 77 14.282 5.615 0.274 1330 HA TYR 77 HA TYR 77 13.652 2.976 -0.780 1331 1HB TYR 77 2HB TYR 77 15.504 5.120 -1.842 1332 2HB TYR 77 1HB TYR 77 15.065 3.641 -2.684 1333 HD1 TYR 77 1HD TYR 77 12.390 3.307 -2.845 1334 HD2 TYR 77 2HD TYR 77 14.405 7.036 -2.486 1335 HE1 TYR 77 1HE TYR 77 10.455 4.443 -3.852 1336 HE2 TYR 77 2HE TYR 77 12.474 8.183 -3.488 1337 HH TYR 77 HH TYR 77 10.120 7.858 -3.845 1338 H LEU 78 H LEU 78 15.218 1.326 -1.082 1339 HA LEU 78 HA LEU 78 17.898 1.677 -0.103 1340 1HB LEU 78 2HB LEU 78 16.647 1.395 1.998 1341 2HB LEU 78 1HB LEU 78 16.027 -0.135 1.418 1342 HG LEU 78 HG LEU 78 18.205 -1.138 1.490 1343 1HD1 LEU 78 1HD1 LEU 78 19.934 0.182 0.982 1344 2HD1 LEU 78 2HD1 LEU 78 19.930 0.633 2.688 1345 3HD1 LEU 78 3HD1 LEU 78 19.090 1.638 1.508 1346 1HD2 LEU 78 1HD2 LEU 78 17.031 0.142 3.826 1347 2HD2 LEU 78 2HD2 LEU 78 18.752 -0.193 4.024 1348 3HD2 LEU 78 3HD2 LEU 78 17.638 -1.501 3.619 1349 H GLY 79 H GLY 79 19.271 0.277 -1.007 1350 1HA GLY 79 2HA GLY 79 20.084 -1.482 -2.234 1351 2HA GLY 79 1HA GLY 79 18.641 -2.378 -1.778 1352 H GLN 80 H GLN 80 16.605 -1.506 -2.908 1353 HA GLN 80 HA GLN 80 16.683 -0.205 -5.343 1354 1HB GLN 80 2HB GLN 80 16.497 -2.071 -6.945 1355 2HB GLN 80 1HB GLN 80 18.066 -2.043 -6.155 1356 1HG GLN 80 2HG GLN 80 17.345 -3.822 -4.649 1357 2HG GLN 80 1HG GLN 80 15.767 -3.848 -5.436 1358 1HE2 GLN 80 1HE2 GLN 80 18.617 -5.397 -5.268 1359 2HE2 GLN 80 2HE2 GLN 80 18.670 -6.117 -6.839 1360 H VAL 81 H VAL 81 15.046 -0.473 -3.039 1361 HA VAL 81 HA VAL 81 12.486 -0.804 -4.316 1362 HB VAL 81 HB VAL 81 11.598 -2.417 -2.676 1363 1HG1 VAL 81 1HG1 VAL 81 13.966 -3.633 -4.073 1364 2HG1 VAL 81 2HG1 VAL 81 12.529 -3.085 -4.934 1365 3HG1 VAL 81 3HG1 VAL 81 12.400 -4.369 -3.732 1366 1HG2 VAL 81 1HG2 VAL 81 14.065 -3.603 -1.826 1367 2HG2 VAL 81 2HG2 VAL 81 12.721 -3.005 -0.852 1368 3HG2 VAL 81 3HG2 VAL 81 14.016 -1.909 -1.334 1369 H ALA 82 H ALA 82 10.961 0.453 -3.387 1370 HA ALA 82 HA ALA 82 11.775 2.258 -1.302 1371 1HB ALA 82 1HB ALA 82 10.116 2.532 -3.401 1372 2HB ALA 82 2HB ALA 82 10.055 3.562 -1.970 1373 3HB ALA 82 3HB ALA 82 8.942 2.203 -2.127 1374 H ILE 83 H ILE 83 10.976 2.404 0.787 1375 HA ILE 83 HA ILE 83 9.280 0.165 1.677 1376 HB ILE 83 HB ILE 83 11.589 1.335 3.236 1377 1HG1 ILE 83 2HG1 ILE 83 12.396 -1.135 2.951 1378 2HG1 ILE 83 1HG1 ILE 83 11.308 -1.146 1.567 1379 1HG2 ILE 83 1HG2 ILE 83 10.991 -0.957 4.494 1380 2HG2 ILE 83 2HG2 ILE 83 9.389 -0.512 3.908 1381 3HG2 ILE 83 3HG2 ILE 83 10.294 0.601 4.934 1382 1HD1 ILE 83 1HD1 ILE 83 12.535 0.782 0.638 1383 2HD1 ILE 83 2HD1 ILE 83 13.540 -0.651 0.841 1384 3HD1 ILE 83 3HD1 ILE 83 13.659 0.681 1.990 1385 H LEU 84 H LEU 84 7.677 0.623 3.089 1386 HA LEU 84 HA LEU 84 7.514 3.332 4.210 1387 1HB LEU 84 2HB LEU 84 6.171 3.223 2.128 1388 2HB LEU 84 1HB LEU 84 5.249 1.904 2.819 1389 HG LEU 84 HG LEU 84 4.473 3.430 4.619 1390 1HD1 LEU 84 1HD1 LEU 84 5.128 5.870 3.193 1391 2HD1 LEU 84 2HD1 LEU 84 6.562 5.033 3.783 1392 3HD1 LEU 84 3HD1 LEU 84 5.279 5.486 4.907 1393 1HD2 LEU 84 1HD2 LEU 84 3.171 4.960 2.921 1394 2HD2 LEU 84 2HD2 LEU 84 2.859 3.225 3.009 1395 3HD2 LEU 84 3HD2 LEU 84 3.891 3.873 1.733 1396 H LEU 85 H LEU 85 6.417 3.481 6.183 1397 HA LEU 85 HA LEU 85 5.109 1.162 7.302 1398 1HB LEU 85 2HB LEU 85 7.464 0.628 7.685 1399 2HB LEU 85 1HB LEU 85 7.694 2.171 8.487 1400 HG LEU 85 HG LEU 85 6.101 1.457 10.250 1401 1HD1 LEU 85 1HD1 LEU 85 5.566 -0.972 10.374 1402 2HD1 LEU 85 2HD1 LEU 85 6.156 -1.137 8.721 1403 3HD1 LEU 85 3HD1 LEU 85 4.756 -0.121 9.061 1404 1HD2 LEU 85 1HD2 LEU 85 7.617 -0.302 11.229 1405 2HD2 LEU 85 2HD2 LEU 85 8.403 1.199 10.741 1406 3HD2 LEU 85 3HD2 LEU 85 8.531 -0.237 9.724 1407 H PHE 86 H PHE 86 3.836 1.626 9.086 1408 HA PHE 86 HA PHE 86 4.011 3.910 10.685 1409 1HB PHE 86 2HB PHE 86 2.082 5.224 9.791 1410 2HB PHE 86 1HB PHE 86 3.498 5.232 8.749 1411 HD1 PHE 86 1HD PHE 86 0.226 3.518 9.212 1412 HD2 PHE 86 2HD PHE 86 3.298 4.708 6.518 1413 HE1 PHE 86 1HE PHE 86 -1.154 2.778 7.312 1414 HE2 PHE 86 2HE PHE 86 1.924 3.970 4.618 1415 HZ PHE 86 HZ PHE 86 -0.305 3.005 5.015 1416 H LYS 87 H LYS 87 2.844 3.569 12.459 1417 HA LYS 87 HA LYS 87 0.995 1.333 12.472 1418 1HB LYS 87 2HB LYS 87 1.075 1.513 14.901 1419 2HB LYS 87 1HB LYS 87 2.692 1.447 14.219 1420 1HG LYS 87 2HG LYS 87 2.957 3.828 14.509 1421 2HG LYS 87 1HG LYS 87 1.294 3.967 15.087 1422 1HD LYS 87 2HD LYS 87 3.456 2.341 16.419 1423 2HD LYS 87 1HD LYS 87 2.958 3.960 16.918 1424 1HE LYS 87 2HE LYS 87 0.690 3.118 17.328 1425 2HE LYS 87 1HE LYS 87 1.210 1.502 16.852 1426 1HZ LYS 87 1HZ LYS 87 2.277 1.177 18.795 1427 2HZ LYS 87 2HZ LYS 87 1.187 2.339 19.364 1428 3HZ LYS 87 3HZ LYS 87 2.763 2.791 18.947 1429 H SER 88 H SER 88 -1.123 1.387 13.136 1430 HA SER 88 HA SER 88 -2.350 4.058 13.198 1431 1HB SER 88 2HB SER 88 -2.991 2.807 11.193 1432 2HB SER 88 1HB SER 88 -3.528 1.458 12.193 1433 HG SER 88 HG SER 88 -4.624 4.073 12.100 1434 H GLY 89 H GLY 89 -3.200 4.605 15.086 1435 1HA GLY 89 2HA GLY 89 -3.315 2.911 17.315 1436 2HA GLY 89 1HA GLY 89 -4.118 4.468 17.185 1437 1H MET 1 1HT MET 1 -9.439 -7.806 14.284 1438 2H MET 1 2HT MET 1 -7.984 -8.677 14.553 1439 3H MET 1 3HT MET 1 -9.330 -9.453 13.820 1440 HA MET 1 HA MET 1 -9.123 -8.259 11.880 1441 1HB MET 1 2HB MET 1 -7.503 -6.383 11.702 1442 2HB MET 1 1HB MET 1 -8.781 -6.078 12.871 1443 1HG MET 1 2HG MET 1 -7.241 -6.715 14.682 1444 2HG MET 1 1HG MET 1 -5.962 -6.934 13.489 1445 1HE MET 1 1HE MET 1 -8.431 -4.405 15.152 1446 2HE MET 1 2HE MET 1 -8.747 -4.123 13.440 1447 3HE MET 1 3HE MET 1 -7.961 -2.876 14.407 1448 H LYS 2 H LYS 2 -8.044 -9.402 10.410 1449 HA LYS 2 HA LYS 2 -5.578 -10.751 11.228 1450 1HB LYS 2 2HB LYS 2 -7.521 -11.298 8.984 1451 2HB LYS 2 1HB LYS 2 -5.997 -12.152 9.169 1452 1HG LYS 2 2HG LYS 2 -7.817 -13.467 10.058 1453 2HG LYS 2 1HG LYS 2 -6.729 -12.976 11.356 1454 1HD LYS 2 2HD LYS 2 -8.257 -11.233 12.033 1455 2HD LYS 2 1HD LYS 2 -9.315 -11.583 10.662 1456 1HE LYS 2 2HE LYS 2 -9.734 -13.816 11.569 1457 2HE LYS 2 1HE LYS 2 -8.671 -13.466 12.930 1458 1HZ LYS 2 1HZ LYS 2 -10.584 -12.864 13.906 1459 2HZ LYS 2 2HZ LYS 2 -11.396 -12.612 12.444 1460 3HZ LYS 2 3HZ LYS 2 -10.373 -11.414 13.058 1461 H ASP 3 H ASP 3 -3.659 -10.430 10.248 1462 HA ASP 3 HA ASP 3 -3.361 -8.098 8.634 1463 1HB ASP 3 2HB ASP 3 -1.298 -10.206 9.286 1464 2HB ASP 3 1HB ASP 3 -0.986 -8.579 8.691 1465 H THR 4 H THR 4 -3.527 -7.953 6.499 1466 HA THR 4 HA THR 4 -3.675 -10.361 4.890 1467 HB THR 4 HB THR 4 -5.297 -8.540 4.570 1468 HG1 THR 4 1HG THR 4 -4.609 -9.912 2.793 1469 1HG2 THR 4 1HG2 THR 4 -3.854 -6.626 5.028 1470 2HG2 THR 4 2HG2 THR 4 -4.692 -6.484 3.484 1471 3HG2 THR 4 3HG2 THR 4 -2.987 -6.934 3.522 1472 H GLY 5 H GLY 5 -2.173 -11.036 3.437 1473 1HA GLY 5 2HA GLY 5 0.258 -9.372 3.176 1474 2HA GLY 5 1HA GLY 5 0.304 -11.126 3.299 1475 H ILE 6 H ILE 6 1.065 -9.000 1.176 1476 HA ILE 6 HA ILE 6 0.141 -10.622 -1.062 1477 HB ILE 6 HB ILE 6 -0.551 -8.713 -2.406 1478 1HG1 ILE 6 2HG1 ILE 6 -0.318 -7.061 0.115 1479 2HG1 ILE 6 1HG1 ILE 6 0.869 -7.035 -1.188 1480 1HG2 ILE 6 1HG2 ILE 6 -2.003 -8.882 0.231 1481 2HG2 ILE 6 2HG2 ILE 6 -2.245 -9.933 -1.164 1482 3HG2 ILE 6 3HG2 ILE 6 -2.664 -8.224 -1.266 1483 1HD1 ILE 6 1HD1 ILE 6 -1.985 -6.118 -1.258 1484 2HD1 ILE 6 2HD1 ILE 6 -1.025 -6.377 -2.716 1485 3HD1 ILE 6 3HD1 ILE 6 -0.520 -5.174 -1.528 1486 H GLN 7 H GLN 7 1.205 -9.936 -3.129 1487 HA GLN 7 HA GLN 7 3.640 -8.427 -2.963 1488 1HB GLN 7 2HB GLN 7 5.121 -10.329 -3.573 1489 2HB GLN 7 1HB GLN 7 4.464 -10.449 -1.948 1490 1HG GLN 7 2HG GLN 7 2.802 -12.050 -2.727 1491 2HG GLN 7 1HG GLN 7 3.436 -11.920 -4.366 1492 1HE2 GLN 7 1HE2 GLN 7 3.437 -13.801 -1.720 1493 2HE2 GLN 7 2HE2 GLN 7 4.957 -14.600 -1.911 1494 H VAL 8 H VAL 8 2.067 -7.513 -4.598 1495 HA VAL 8 HA VAL 8 1.693 -8.882 -7.069 1496 HB VAL 8 HB VAL 8 1.472 -5.920 -6.511 1497 1HG1 VAL 8 1HG1 VAL 8 1.374 -5.904 -8.771 1498 2HG1 VAL 8 2HG1 VAL 8 -0.294 -6.394 -8.473 1499 3HG1 VAL 8 3HG1 VAL 8 0.923 -7.605 -8.872 1500 1HG2 VAL 8 1HG2 VAL 8 -0.604 -6.224 -5.680 1501 2HG2 VAL 8 2HG2 VAL 8 0.019 -7.825 -5.283 1502 3HG2 VAL 8 3HG2 VAL 8 -0.944 -7.591 -6.740 1503 H ASP 9 H ASP 9 2.780 -8.712 -8.982 1504 HA ASP 9 HA ASP 9 4.791 -6.829 -9.567 1505 1HB ASP 9 1HB ASP 9 5.787 -9.545 -8.672 1506 2HB ASP 9 2HB ASP 9 6.063 -8.020 -7.840 1507 H ARG 10 H ARG 10 2.616 -7.758 -10.931 1508 HA ARG 10 HA ARG 10 3.555 -9.705 -12.882 1509 1HB ARG 10 2HB ARG 10 1.263 -9.501 -13.827 1510 2HB ARG 10 1HB ARG 10 1.298 -10.010 -12.146 1511 1HG ARG 10 2HG ARG 10 0.692 -7.794 -11.419 1512 2HG ARG 10 1HG ARG 10 0.772 -7.197 -13.077 1513 1HD ARG 10 2HD ARG 10 -1.537 -7.624 -12.382 1514 2HD ARG 10 1HD ARG 10 -1.051 -8.668 -13.717 1515 HE ARG 10 HE ARG 10 -0.580 -10.011 -11.301 1516 1HH1 ARG 10 1HH1 ARG 10 -3.247 -8.896 -13.257 1517 2HH1 ARG 10 2HH1 ARG 10 -4.327 -10.133 -12.712 1518 1HH2 ARG 10 1HH2 ARG 10 -2.000 -11.639 -10.583 1519 2HH2 ARG 10 2HH2 ARG 10 -3.621 -11.691 -11.193 1520 H ASP 11 H ASP 11 2.596 -6.316 -12.746 1521 HA ASP 11 HA ASP 11 3.022 -4.560 -14.126 1522 1HB ASP 11 2HB ASP 11 5.068 -6.402 -15.376 1523 2HB ASP 11 1HB ASP 11 4.977 -4.658 -15.605 1524 H LEU 12 H LEU 12 0.898 -6.268 -14.758 1525 HA LEU 12 HA LEU 12 -0.643 -6.570 -16.398 1526 1HB LEU 12 2HB LEU 12 1.213 -4.899 -18.092 1527 2HB LEU 12 1HB LEU 12 -0.449 -5.303 -18.478 1528 HG LEU 12 HG LEU 12 0.456 -3.602 -16.155 1529 1HD1 LEU 12 1HD1 LEU 12 -1.081 -2.802 -18.617 1530 2HD1 LEU 12 2HD1 LEU 12 0.658 -2.580 -18.424 1531 3HD1 LEU 12 3HD1 LEU 12 -0.461 -1.751 -17.343 1532 1HD2 LEU 12 1HD2 LEU 12 -2.020 -3.128 -15.997 1533 2HD2 LEU 12 2HD2 LEU 12 -1.504 -4.730 -15.469 1534 3HD2 LEU 12 3HD2 LEU 12 -2.262 -4.524 -17.048 1535 H ASP 13 H ASP 13 2.633 -7.469 -16.830 1536 HA ASP 13 HA ASP 13 3.623 -9.223 -17.878 1537 1HB ASP 13 2HB ASP 13 0.779 -10.167 -18.304 1538 2HB ASP 13 1HB ASP 13 2.225 -11.145 -18.539 1539 H GLY 14 H GLY 14 4.527 -9.432 -19.844 1540 1HA GLY 14 2HA GLY 14 3.133 -9.295 -22.297 1541 2HA GLY 14 1HA GLY 14 3.840 -7.725 -21.945 1542 H LYS 15 H LYS 15 6.225 -8.406 -20.781 1543 HA LYS 15 HA LYS 15 7.855 -8.945 -22.997 1544 1HB LYS 15 2HB LYS 15 8.522 -9.151 -20.055 1545 2HB LYS 15 1HB LYS 15 9.698 -9.093 -21.355 1546 1HG LYS 15 2HG LYS 15 7.757 -6.918 -20.611 1547 2HG LYS 15 1HG LYS 15 9.488 -6.933 -20.281 1548 1HD LYS 15 2HD LYS 15 8.306 -7.034 -23.054 1549 2HD LYS 15 1HD LYS 15 8.791 -5.542 -22.250 1550 1HE LYS 15 2HE LYS 15 10.587 -6.191 -23.664 1551 2HE LYS 15 1HE LYS 15 11.084 -6.523 -22.008 1552 1HZ LYS 15 1HZ LYS 15 11.218 -8.271 -24.064 1553 2HZ LYS 15 2HZ LYS 15 9.792 -8.751 -23.292 1554 3HZ LYS 15 3HZ LYS 15 11.245 -8.694 -22.424 1555 H SER 16 H SER 16 6.706 -11.008 -20.379 1556 HA SER 16 HA SER 16 6.970 -13.362 -21.967 1557 1HB SER 16 2HB SER 16 8.825 -13.085 -19.587 1558 2HB SER 16 1HB SER 16 8.606 -14.538 -20.562 1559 HG SER 16 HG SER 16 9.902 -12.138 -21.198 1560 H HIS 17 H HIS 17 5.555 -14.870 -21.286 1561 HA HIS 17 HA HIS 17 3.658 -14.280 -19.326 1562 1HB HIS 17 2HB HIS 17 4.382 -16.977 -20.492 1563 2HB HIS 17 1HB HIS 17 2.906 -16.615 -19.604 1564 HD1 HIS 17 1HD HIS 17 1.634 -14.350 -20.823 1565 HD2 HIS 17 2HD HIS 17 3.905 -16.947 -23.140 1566 HE1 HIS 17 1HE HIS 17 0.846 -14.007 -23.185 1567 HE2 HIS 17 2HE HIS 17 2.301 -15.518 -24.580 1568 H LYS 18 H LYS 18 3.461 -14.715 -17.205 1569 HA LYS 18 HA LYS 18 5.131 -16.650 -15.871 1570 1HB LYS 18 2HB LYS 18 5.461 -13.697 -15.314 1571 2HB LYS 18 1HB LYS 18 6.051 -14.968 -14.254 1572 1HG LYS 18 2HG LYS 18 6.910 -14.532 -17.108 1573 2HG LYS 18 1HG LYS 18 7.817 -14.058 -15.671 1574 1HD LYS 18 2HD LYS 18 7.989 -16.389 -14.987 1575 2HD LYS 18 1HD LYS 18 7.037 -16.885 -16.388 1576 1HE LYS 18 2HE LYS 18 9.727 -15.521 -16.462 1577 2HE LYS 18 1HE LYS 18 9.425 -17.232 -16.766 1578 1HZ LYS 18 1HZ LYS 18 9.636 -16.018 -18.830 1579 2HZ LYS 18 2HZ LYS 18 8.388 -14.966 -18.384 1580 3HZ LYS 18 3HZ LYS 18 8.056 -16.600 -18.668 1581 1H MET 1 1HT MET 1 -2.638 14.217 12.702 1582 2H MET 1 2HT MET 1 -2.547 12.973 13.880 1583 3H MET 1 3HT MET 1 -4.054 13.715 13.528 1584 HA MET 1 HA MET 1 -2.555 11.706 12.078 1585 1HB MET 1 2HB MET 1 -4.546 11.168 13.399 1586 2HB MET 1 1HB MET 1 -5.486 12.342 12.488 1587 1HG MET 1 2HG MET 1 -5.175 11.029 10.459 1588 2HG MET 1 1HG MET 1 -4.216 9.857 11.361 1589 1HE MET 1 1HE MET 1 -7.711 11.524 10.940 1590 2HE MET 1 2HE MET 1 -7.468 11.705 12.677 1591 3HE MET 1 3HE MET 1 -8.711 10.613 12.072 1592 H LYS 2 H LYS 2 -2.439 11.571 9.890 1593 HA LYS 2 HA LYS 2 -3.931 13.364 8.188 1594 1HB LYS 2 2HB LYS 2 -0.922 13.565 8.395 1595 2HB LYS 2 1HB LYS 2 -1.869 14.263 7.087 1596 1HG LYS 2 2HG LYS 2 -2.143 14.973 10.001 1597 2HG LYS 2 1HG LYS 2 -1.264 15.912 8.794 1598 1HD LYS 2 2HD LYS 2 -3.322 16.252 7.535 1599 2HD LYS 2 1HD LYS 2 -4.212 15.271 8.701 1600 1HE LYS 2 2HE LYS 2 -4.543 17.652 9.117 1601 2HE LYS 2 1HE LYS 2 -3.698 16.883 10.459 1602 1HZ LYS 2 1HZ LYS 2 -1.627 17.770 9.665 1603 2HZ LYS 2 2HZ LYS 2 -2.736 19.037 9.827 1604 3HZ LYS 2 3HZ LYS 2 -2.373 18.424 8.293 1605 H ASP 3 H ASP 3 -4.246 12.552 6.208 1606 HA ASP 3 HA ASP 3 -3.546 9.847 5.735 1607 1HB ASP 3 2HB ASP 3 -4.738 10.124 3.603 1608 2HB ASP 3 1HB ASP 3 -5.666 10.773 4.952 1609 H THR 4 H THR 4 -1.815 9.003 4.774 1610 HA THR 4 HA THR 4 0.245 10.688 3.728 1611 HB THR 4 HB THR 4 0.752 8.611 4.942 1612 HG1 THR 4 1HG THR 4 2.002 7.683 2.933 1613 1HG2 THR 4 1HG2 THR 4 -1.230 7.368 3.791 1614 2HG2 THR 4 2HG2 THR 4 0.228 6.492 4.258 1615 3HG2 THR 4 3HG2 THR 4 -0.011 6.975 2.578 1616 H GLY 5 H GLY 5 0.842 11.026 1.631 1617 1HA GLY 5 2HA GLY 5 -0.697 9.658 -0.470 1618 2HA GLY 5 1HA GLY 5 -0.644 11.415 -0.450 1619 H ILE 6 H ILE 6 0.684 8.741 -1.800 1620 HA ILE 6 HA ILE 6 2.833 10.228 -2.993 1621 HB ILE 6 HB ILE 6 4.643 8.707 -2.369 1622 1HG1 ILE 6 2HG1 ILE 6 2.686 7.510 -0.398 1623 2HG1 ILE 6 1HG1 ILE 6 3.215 6.733 -1.888 1624 1HG2 ILE 6 1HG2 ILE 6 5.054 9.521 -0.155 1625 2HG2 ILE 6 2HG2 ILE 6 3.335 9.807 0.109 1626 3HG2 ILE 6 3HG2 ILE 6 4.219 10.781 -1.066 1627 1HD1 ILE 6 1HD1 ILE 6 4.483 5.793 -0.140 1628 2HD1 ILE 6 2HD1 ILE 6 4.854 7.379 0.539 1629 3HD1 ILE 6 3HD1 ILE 6 5.559 6.893 -1.004 1630 H GLN 7 H GLN 7 4.111 8.741 -4.509 1631 HA GLN 7 HA GLN 7 2.562 6.445 -5.424 1632 1HB GLN 7 2HB GLN 7 1.632 8.333 -6.670 1633 2HB GLN 7 1HB GLN 7 3.245 8.796 -7.196 1634 1HG GLN 7 2HG GLN 7 3.444 6.680 -8.415 1635 2HG GLN 7 1HG GLN 7 1.812 6.246 -7.907 1636 1HE2 GLN 7 1HE2 GLN 7 0.350 6.561 -9.409 1637 2HE2 GLN 7 2HE2 GLN 7 0.369 7.796 -10.616 1638 H VAL 8 H VAL 8 4.011 4.872 -5.441 1639 HA VAL 8 HA VAL 8 6.813 5.395 -5.894 1640 HB VAL 8 HB VAL 8 5.400 2.752 -5.499 1641 1HG1 VAL 8 1HG1 VAL 8 7.622 2.620 -6.605 1642 2HG1 VAL 8 2HG1 VAL 8 7.567 1.829 -5.029 1643 3HG1 VAL 8 3HG1 VAL 8 8.324 3.414 -5.196 1644 1HG2 VAL 8 1HG2 VAL 8 6.593 3.061 -3.188 1645 2HG2 VAL 8 2HG2 VAL 8 5.025 3.808 -3.492 1646 3HG2 VAL 8 3HG2 VAL 8 6.497 4.773 -3.600 1647 H ASP 9 H ASP 9 8.024 4.821 -7.642 1648 HA ASP 9 HA ASP 9 6.932 3.251 -9.798 1649 1HB ASP 9 2HB ASP 9 7.540 6.184 -10.238 1650 2HB ASP 9 1HB ASP 9 7.175 5.019 -11.508 1651 H ARG 10 H ARG 10 8.529 2.216 -10.849 1652 HA ARG 10 HA ARG 10 11.167 2.325 -9.917 1653 1HB ARG 10 2HB ARG 10 10.127 0.365 -11.042 1654 2HB ARG 10 1HB ARG 10 10.219 1.232 -12.569 1655 1HG ARG 10 2HG ARG 10 12.041 -0.366 -12.334 1656 2HG ARG 10 1HG ARG 10 12.644 1.291 -12.411 1657 1HD ARG 10 2HD ARG 10 12.888 1.331 -9.988 1658 2HD ARG 10 1HD ARG 10 12.236 -0.303 -9.881 1659 HE ARG 10 HE ARG 10 14.912 0.408 -10.442 1660 1HH1 ARG 10 1HH1 ARG 10 12.459 -1.919 -11.306 1661 2HH1 ARG 10 2HH1 ARG 10 13.600 -3.127 -11.793 1662 1HH2 ARG 10 1HH2 ARG 10 16.413 -1.182 -11.077 1663 2HH2 ARG 10 2HH2 ARG 10 15.843 -2.710 -11.660 1664 H ASP 11 H ASP 11 12.867 3.543 -10.427 1665 HA ASP 11 HA ASP 11 13.188 4.787 -12.989 1666 1HB ASP 11 2HB ASP 11 12.710 6.545 -10.570 1667 2HB ASP 11 1HB ASP 11 13.252 7.111 -12.145 1668 H LEU 12 H LEU 12 14.679 2.947 -11.451 1669 HA LEU 12 HA LEU 12 16.882 4.384 -10.244 1670 1HB LEU 12 2HB LEU 12 16.570 1.436 -10.812 1671 2HB LEU 12 1HB LEU 12 17.813 2.166 -9.811 1672 HG LEU 12 HG LEU 12 14.852 2.145 -9.218 1673 1HD1 LEU 12 1HD1 LEU 12 16.085 0.893 -7.152 1674 2HD1 LEU 12 2HD1 LEU 12 17.083 0.377 -8.512 1675 3HD1 LEU 12 3HD1 LEU 12 15.346 0.071 -8.527 1676 1HD2 LEU 12 1HD2 LEU 12 17.171 3.519 -7.943 1677 2HD2 LEU 12 2HD2 LEU 12 15.844 2.939 -6.936 1678 3HD2 LEU 12 3HD2 LEU 12 15.531 4.102 -8.224 1679 H ASP 13 H ASP 13 16.669 5.225 -12.823 1680 HA ASP 13 HA ASP 13 19.233 4.492 -13.895 1681 1HB ASP 13 2HB ASP 13 16.733 3.907 -15.500 1682 2HB ASP 13 1HB ASP 13 18.376 3.855 -16.132 1683 H GLY 14 H GLY 14 18.382 6.887 -12.884 1684 1HA GLY 14 2HA GLY 14 18.439 9.126 -13.396 1685 2HA GLY 14 1HA GLY 14 18.948 8.663 -15.013 1686 H LYS 15 H LYS 15 17.691 9.710 -16.405 1687 HA LYS 15 HA LYS 15 14.845 9.224 -16.387 1688 1HB LYS 15 2HB LYS 15 15.911 12.046 -16.159 1689 2HB LYS 15 1HB LYS 15 14.240 11.616 -16.496 1690 1HG LYS 15 2HG LYS 15 14.052 10.551 -14.323 1691 2HG LYS 15 1HG LYS 15 15.742 10.911 -13.985 1692 1HD LYS 15 2HD LYS 15 14.363 12.527 -12.863 1693 2HD LYS 15 1HD LYS 15 15.221 13.326 -14.178 1694 1HE LYS 15 2HE LYS 15 12.407 12.293 -14.438 1695 2HE LYS 15 1HE LYS 15 12.782 13.930 -13.906 1696 1HZ LYS 15 1HZ LYS 15 14.238 13.590 -16.201 1697 2HZ LYS 15 2HZ LYS 15 12.797 14.462 -16.047 1698 3HZ LYS 15 3HZ LYS 15 12.756 12.846 -16.543 1699 H SER 16 H SER 16 13.912 9.445 -18.398 1700 HA SER 16 HA SER 16 13.785 9.579 -20.665 1701 1HB SER 16 2HB SER 16 16.081 11.535 -20.371 1702 2HB SER 16 1HB SER 16 15.120 11.297 -21.831 1703 HG SER 16 HG SER 16 14.446 13.084 -20.476 1704 H HIS 17 H HIS 17 15.031 7.403 -19.704 1705 HA HIS 17 HA HIS 17 16.738 6.648 -21.891 1706 1HB HIS 17 2HB HIS 17 17.854 6.655 -19.077 1707 2HB HIS 17 1HB HIS 17 18.620 5.890 -20.464 1708 HD1 HIS 17 1HD HIS 17 18.883 7.821 -22.560 1709 HD2 HIS 17 2HD HIS 17 18.960 9.059 -18.595 1710 HE1 HIS 17 1HE HIS 17 20.022 10.063 -22.578 1711 HE2 HIS 17 2HE HIS 17 19.974 10.832 -20.178 1712 H LYS 18 H LYS 18 15.415 5.820 -18.719 1713 HA LYS 18 HA LYS 18 15.643 3.074 -18.748 1714 1HB LYS 18 2HB LYS 18 13.712 3.040 -17.239 1715 2HB LYS 18 1HB LYS 18 14.819 4.341 -16.824 1716 1HG LYS 18 2HG LYS 18 13.353 5.919 -18.046 1717 2HG LYS 18 1HG LYS 18 12.215 4.596 -18.311 1718 1HD LYS 18 2HD LYS 18 11.519 5.928 -16.408 1719 2HD LYS 18 1HD LYS 18 12.003 4.317 -15.875 1720 1HE LYS 18 2HE LYS 18 12.859 6.084 -14.395 1721 2HE LYS 18 1HE LYS 18 14.157 5.167 -15.160 1722 1HZ LYS 18 1HZ LYS 18 14.794 6.937 -16.408 1723 2HZ LYS 18 2HZ LYS 18 14.160 7.785 -15.089 1724 3HZ LYS 18 3HZ LYS 18 13.240 7.601 -16.496 Start of MODEL 17 1 1H MET 1 1HT MET 1 -21.970 -9.402 -18.189 2 2H MET 1 2HT MET 1 -21.642 -11.069 -17.934 3 3H MET 1 3HT MET 1 -20.352 -9.967 -18.198 4 HA MET 1 HA MET 1 -21.149 -8.791 -16.161 5 1HB MET 1 2HB MET 1 -23.336 -9.945 -16.130 6 2HB MET 1 1HB MET 1 -22.518 -11.473 -15.846 7 1HG MET 1 2HG MET 1 -23.185 -10.929 -13.732 8 2HG MET 1 1HG MET 1 -21.559 -10.251 -13.755 9 1HE MET 1 1HE MET 1 -20.978 -7.902 -14.160 10 2HE MET 1 2HE MET 1 -21.999 -6.513 -13.796 11 3HE MET 1 3HE MET 1 -22.080 -7.273 -15.385 12 H CYS 2 H CYS 2 -19.433 -8.832 -14.832 13 HA CYS 2 HA CYS 2 -18.271 -11.122 -13.726 14 1HB CYS 2 2HB CYS 2 -16.121 -11.179 -14.958 15 2HB CYS 2 1HB CYS 2 -17.491 -11.634 -15.965 16 HG CYS 2 HG CYS 2 -16.982 -8.757 -16.439 17 H ASP 3 H ASP 3 -19.046 -8.685 -12.730 18 HA ASP 3 HA ASP 3 -18.384 -7.011 -11.342 19 1HB ASP 3 2HB ASP 3 -15.782 -8.558 -11.329 20 2HB ASP 3 1HB ASP 3 -16.220 -7.291 -10.187 21 H ARG 4 H ARG 4 -18.301 -6.347 -14.005 22 HA ARG 4 HA ARG 4 -17.479 -4.800 -15.464 23 1HB ARG 4 2HB ARG 4 -16.093 -3.761 -12.991 24 2HB ARG 4 1HB ARG 4 -16.288 -2.875 -14.497 25 1HG ARG 4 2HG ARG 4 -18.503 -3.802 -12.682 26 2HG ARG 4 1HG ARG 4 -17.913 -2.149 -12.858 27 1HD ARG 4 2HD ARG 4 -18.606 -2.144 -15.197 28 2HD ARG 4 1HD ARG 4 -19.170 -3.807 -15.041 29 HE ARG 4 HE ARG 4 -20.453 -2.246 -13.105 30 1HH1 ARG 4 1HH1 ARG 4 -20.365 -2.631 -16.572 31 2HH1 ARG 4 2HH1 ARG 4 -22.000 -2.105 -16.798 32 1HH2 ARG 4 1HH2 ARG 4 -22.604 -1.555 -13.399 33 2HH2 ARG 4 2HH2 ARG 4 -23.270 -1.493 -14.996 34 H LYS 5 H LYS 5 -16.137 -7.206 -15.500 35 HA LYS 5 HA LYS 5 -14.299 -8.127 -16.473 36 1HB LYS 5 2HB LYS 5 -14.169 -6.144 -17.896 37 2HB LYS 5 1HB LYS 5 -13.285 -5.284 -16.641 38 1HG LYS 5 2HG LYS 5 -11.821 -6.103 -18.422 39 2HG LYS 5 1HG LYS 5 -11.424 -6.810 -16.854 40 1HD LYS 5 2HD LYS 5 -12.660 -8.833 -17.457 41 2HD LYS 5 1HD LYS 5 -13.054 -8.125 -19.025 42 1HE LYS 5 2HE LYS 5 -10.283 -8.737 -18.002 43 2HE LYS 5 1HE LYS 5 -11.176 -9.679 -19.196 44 1HZ LYS 5 1HZ LYS 5 -10.041 -8.390 -20.625 45 2HZ LYS 5 2HZ LYS 5 -9.769 -7.160 -19.497 46 3HZ LYS 5 3HZ LYS 5 -11.255 -7.256 -20.301 47 H ALA 6 H ALA 6 -13.646 -5.708 -13.994 48 HA ALA 6 HA ALA 6 -11.132 -6.463 -13.171 49 1HB ALA 6 1HB ALA 6 -12.596 -4.528 -12.361 50 2HB ALA 6 2HB ALA 6 -11.542 -5.305 -11.182 51 3HB ALA 6 3HB ALA 6 -13.262 -5.685 -11.209 52 H VAL 7 H VAL 7 -10.283 -8.188 -12.162 53 HA VAL 7 HA VAL 7 -12.108 -10.283 -11.287 54 HB VAL 7 HB VAL 7 -10.118 -11.713 -11.265 55 1HG1 VAL 7 1HG1 VAL 7 -10.349 -12.207 -13.459 56 2HG1 VAL 7 2HG1 VAL 7 -10.021 -10.552 -13.971 57 3HG1 VAL 7 3HG1 VAL 7 -11.620 -10.990 -13.371 58 1HG2 VAL 7 1HG2 VAL 7 -8.031 -10.947 -11.437 59 2HG2 VAL 7 2HG2 VAL 7 -8.709 -9.333 -11.234 60 3HG2 VAL 7 3HG2 VAL 7 -8.430 -9.976 -12.852 61 H ILE 8 H ILE 8 -12.217 -11.012 -9.257 62 HA ILE 8 HA ILE 8 -10.910 -9.432 -7.198 63 HB ILE 8 HB ILE 8 -13.050 -11.553 -7.027 64 1HG1 ILE 8 2HG1 ILE 8 -14.450 -9.656 -6.267 65 2HG1 ILE 8 1HG1 ILE 8 -13.088 -8.569 -6.517 66 1HG2 ILE 8 1HG2 ILE 8 -12.963 -10.226 -4.594 67 2HG2 ILE 8 2HG2 ILE 8 -11.275 -10.558 -4.971 68 3HG2 ILE 8 3HG2 ILE 8 -12.442 -11.879 -4.911 69 1HD1 ILE 8 1HD1 ILE 8 -14.227 -10.229 -8.737 70 2HD1 ILE 8 2HD1 ILE 8 -13.194 -8.803 -8.842 71 3HD1 ILE 8 3HD1 ILE 8 -14.869 -8.641 -8.313 72 H LYS 9 H LYS 9 -9.202 -10.054 -6.074 73 HA LYS 9 HA LYS 9 -7.962 -12.583 -6.669 74 1HB LYS 9 2HB LYS 9 -7.110 -10.330 -4.847 75 2HB LYS 9 1HB LYS 9 -6.136 -11.750 -5.206 76 1HG LYS 9 2HG LYS 9 -7.066 -9.686 -7.192 77 2HG LYS 9 1HG LYS 9 -5.433 -9.863 -6.548 78 1HD LYS 9 2HD LYS 9 -6.908 -11.910 -8.202 79 2HD LYS 9 1HD LYS 9 -5.624 -10.848 -8.779 80 1HE LYS 9 2HE LYS 9 -4.069 -11.870 -7.189 81 2HE LYS 9 1HE LYS 9 -5.354 -12.932 -6.614 82 1HZ LYS 9 1HZ LYS 9 -4.439 -14.308 -8.128 83 2HZ LYS 9 2HZ LYS 9 -3.801 -13.060 -9.072 84 3HZ LYS 9 3HZ LYS 9 -5.438 -13.465 -9.203 85 H ASN 10 H ASN 10 -9.684 -11.145 -3.951 86 HA ASN 10 HA ASN 10 -9.951 -13.784 -2.781 87 1HB ASN 10 2HB ASN 10 -8.550 -11.572 -1.278 88 2HB ASN 10 1HB ASN 10 -9.094 -13.085 -0.561 89 1HD2 ASN 10 1HD2 ASN 10 -6.484 -11.534 -1.714 90 2HD2 ASN 10 2HD2 ASN 10 -5.513 -12.882 -2.191 91 H ALA 11 H ALA 11 -10.480 -10.302 -2.189 92 HA ALA 11 HA ALA 11 -12.329 -9.160 -1.497 93 1HB ALA 11 1HB ALA 11 -14.481 -10.894 -1.652 94 2HB ALA 11 2HB ALA 11 -13.385 -11.465 -2.910 95 3HB ALA 11 3HB ALA 11 -13.934 -9.789 -2.913 96 H ASP 12 H ASP 12 -13.475 -8.798 0.402 97 HA ASP 12 HA ASP 12 -14.084 -10.826 2.288 98 1HB ASP 12 2HB ASP 12 -11.666 -10.863 2.599 99 2HB ASP 12 1HB ASP 12 -11.659 -9.125 2.870 100 H MET 13 H MET 13 -15.877 -9.246 1.538 101 HA MET 13 HA MET 13 -16.665 -7.730 3.766 102 1HB MET 13 2HB MET 13 -16.733 -5.481 2.576 103 2HB MET 13 1HB MET 13 -15.162 -6.021 3.149 104 1HG MET 13 2HG MET 13 -14.504 -6.663 0.942 105 2HG MET 13 1HG MET 13 -16.126 -6.360 0.321 106 1HE MET 13 1HE MET 13 -13.679 -4.839 2.640 107 2HE MET 13 2HE MET 13 -14.401 -3.230 2.718 108 3HE MET 13 3HE MET 13 -12.961 -3.507 1.736 109 H SER 14 H SER 14 -18.706 -6.486 3.314 110 HA SER 14 HA SER 14 -20.693 -8.023 2.317 111 1HB SER 14 2HB SER 14 -21.112 -5.967 3.571 112 2HB SER 14 1HB SER 14 -20.588 -5.000 2.193 113 HG SER 14 HG SER 14 -22.857 -5.181 2.271 114 H GLU 15 H GLU 15 -21.700 -8.443 0.407 115 HA GLU 15 HA GLU 15 -20.281 -8.453 -1.956 116 1HB GLU 15 2HB GLU 15 -23.281 -8.444 -1.618 117 2HB GLU 15 1HB GLU 15 -22.424 -8.942 -3.071 118 1HG GLU 15 2HG GLU 15 -21.373 -10.763 -1.832 119 2HG GLU 15 1HG GLU 15 -22.228 -10.263 -0.374 120 H GLU 16 H GLU 16 -22.779 -6.152 -0.958 121 HA GLU 16 HA GLU 16 -22.715 -4.586 -3.294 122 1HB GLU 16 2HB GLU 16 -23.852 -2.869 -1.947 123 2HB GLU 16 1HB GLU 16 -24.566 -4.460 -1.715 124 1HG GLU 16 2HG GLU 16 -23.351 -4.697 0.391 125 2HG GLU 16 1HG GLU 16 -22.638 -3.102 0.157 126 H MET 17 H MET 17 -20.884 -4.403 -0.282 127 HA MET 17 HA MET 17 -19.675 -1.922 -0.693 128 1HB MET 17 2HB MET 17 -19.630 -3.148 1.446 129 2HB MET 17 1HB MET 17 -18.534 -4.325 0.737 130 1HG MET 17 2HG MET 17 -16.859 -2.583 0.422 131 2HG MET 17 1HG MET 17 -17.957 -1.396 1.119 132 1HE MET 17 1HE MET 17 -18.268 -1.782 4.529 133 2HE MET 17 2HE MET 17 -18.836 -3.427 4.238 134 3HE MET 17 3HE MET 17 -19.292 -2.128 3.135 135 H GLN 18 H GLN 18 -18.438 -5.160 -1.489 136 HA GLN 18 HA GLN 18 -16.056 -4.286 -2.688 137 1HB GLN 18 2HB GLN 18 -16.091 -6.522 -3.844 138 2HB GLN 18 1HB GLN 18 -16.217 -6.574 -2.093 139 1HG GLN 18 2HG GLN 18 -18.661 -6.848 -2.316 140 2HG GLN 18 1HG GLN 18 -18.462 -6.904 -4.067 141 1HE2 GLN 18 1HE2 GLN 18 -18.527 -8.672 -1.226 142 2HE2 GLN 18 2HE2 GLN 18 -17.928 -10.168 -1.838 143 H GLN 19 H GLN 19 -19.282 -4.780 -4.014 144 HA GLN 19 HA GLN 19 -18.576 -4.386 -6.723 145 1HB GLN 19 2HB GLN 19 -21.204 -4.000 -5.287 146 2HB GLN 19 1HB GLN 19 -21.017 -3.887 -7.031 147 1HG GLN 19 2HG GLN 19 -20.291 -6.202 -7.123 148 2HG GLN 19 1HG GLN 19 -20.418 -6.324 -5.370 149 1HE2 GLN 19 1HE2 GLN 19 -21.913 -7.099 -8.145 150 2HE2 GLN 19 2HE2 GLN 19 -23.553 -7.173 -7.604 151 H ASP 20 H ASP 20 -19.727 -2.189 -4.204 152 HA ASP 20 HA ASP 20 -19.919 0.121 -5.793 153 1HB ASP 20 2HB ASP 20 -20.894 -0.053 -3.532 154 2HB ASP 20 1HB ASP 20 -19.274 -0.079 -2.841 155 H SER 21 H SER 21 -17.199 -1.311 -4.079 156 HA SER 21 HA SER 21 -15.430 0.865 -4.481 157 1HB SER 21 2HB SER 21 -14.808 -2.075 -4.073 158 2HB SER 21 1HB SER 21 -13.638 -0.761 -3.948 159 HG SER 21 HG SER 21 -14.403 -1.292 -1.899 160 H VAL 22 H VAL 22 -16.120 -2.078 -6.308 161 HA VAL 22 HA VAL 22 -14.149 -1.711 -8.294 162 HB VAL 22 HB VAL 22 -16.807 -3.118 -8.597 163 1HG1 VAL 22 1HG1 VAL 22 -14.994 -2.535 -10.541 164 2HG1 VAL 22 2HG1 VAL 22 -16.108 -3.902 -10.578 165 3HG1 VAL 22 3HG1 VAL 22 -14.451 -4.129 -10.017 166 1HG2 VAL 22 1HG2 VAL 22 -14.554 -4.859 -8.155 167 2HG2 VAL 22 2HG2 VAL 22 -16.087 -4.766 -7.289 168 3HG2 VAL 22 3HG2 VAL 22 -14.742 -3.728 -6.816 169 H GLU 23 H GLU 23 -17.564 -0.817 -8.121 170 HA GLU 23 HA GLU 23 -17.717 0.368 -10.677 171 1HB GLU 23 2HB GLU 23 -19.351 0.889 -8.189 172 2HB GLU 23 1HB GLU 23 -19.755 1.491 -9.789 173 1HG GLU 23 2HG GLU 23 -19.560 -1.408 -9.008 174 2HG GLU 23 1HG GLU 23 -21.053 -0.488 -9.189 175 H CYS 24 H CYS 24 -17.180 1.727 -7.454 176 HA CYS 24 HA CYS 24 -16.908 4.405 -8.319 177 1HB CYS 24 2HB CYS 24 -15.902 3.030 -5.824 178 2HB CYS 24 1HB CYS 24 -15.820 4.768 -6.089 179 HG CYS 24 HG CYS 24 -18.268 4.978 -5.671 180 H ALA 25 H ALA 25 -14.605 1.769 -8.014 181 HA ALA 25 HA ALA 25 -12.282 3.382 -8.344 182 1HB ALA 25 1HB ALA 25 -11.816 1.331 -7.367 183 2HB ALA 25 2HB ALA 25 -11.298 1.075 -9.034 184 3HB ALA 25 3HB ALA 25 -12.851 0.444 -8.486 185 H THR 26 H THR 26 -14.450 1.616 -10.467 186 HA THR 26 HA THR 26 -12.943 1.867 -12.823 187 HB THR 26 HB THR 26 -15.929 1.569 -12.477 188 HG1 THR 26 1HG THR 26 -14.478 -0.102 -11.614 189 1HG2 THR 26 1HG2 THR 26 -15.760 0.446 -14.733 190 2HG2 THR 26 2HG2 THR 26 -14.189 1.227 -14.895 191 3HG2 THR 26 3HG2 THR 26 -15.645 2.206 -14.718 192 H GLN 27 H GLN 27 -15.648 3.778 -11.561 193 HA GLN 27 HA GLN 27 -15.752 5.664 -13.633 194 1HB GLN 27 2HB GLN 27 -16.423 6.028 -10.704 195 2HB GLN 27 1HB GLN 27 -16.898 7.123 -11.995 196 1HG GLN 27 2HG GLN 27 -17.749 4.249 -11.723 197 2HG GLN 27 1HG GLN 27 -18.729 5.660 -11.335 198 1HE2 GLN 27 1HE2 GLN 27 -20.140 6.171 -12.830 199 2HE2 GLN 27 2HE2 GLN 27 -19.976 5.905 -14.530 200 H ALA 28 H ALA 28 -13.796 5.436 -10.749 201 HA ALA 28 HA ALA 28 -12.679 7.990 -10.702 202 1HB ALA 28 1HB ALA 28 -12.423 5.683 -9.236 203 2HB ALA 28 2HB ALA 28 -11.498 7.165 -8.993 204 3HB ALA 28 3HB ALA 28 -10.833 5.860 -9.972 205 H LEU 29 H LEU 29 -11.520 5.023 -12.284 206 HA LEU 29 HA LEU 29 -9.184 6.083 -13.362 207 1HB LEU 29 2HB LEU 29 -10.938 3.814 -14.236 208 2HB LEU 29 1HB LEU 29 -9.448 4.214 -15.070 209 HG LEU 29 HG LEU 29 -9.547 3.609 -12.128 210 1HD1 LEU 29 1HD1 LEU 29 -10.361 1.650 -13.303 211 2HD1 LEU 29 2HD1 LEU 29 -8.721 1.362 -12.723 212 3HD1 LEU 29 3HD1 LEU 29 -9.003 1.731 -14.424 213 1HD2 LEU 29 1HD2 LEU 29 -7.613 4.885 -13.081 214 2HD2 LEU 29 2HD2 LEU 29 -7.249 3.464 -14.062 215 3HD2 LEU 29 3HD2 LEU 29 -7.192 3.360 -12.303 216 H GLU 30 H GLU 30 -12.417 5.834 -14.791 217 HA GLU 30 HA GLU 30 -11.690 6.985 -17.273 218 1HB GLU 30 2HB GLU 30 -14.124 7.285 -17.611 219 2HB GLU 30 1HB GLU 30 -13.701 5.659 -17.093 220 1HG GLU 30 2HG GLU 30 -14.382 6.193 -14.823 221 2HG GLU 30 1HG GLU 30 -14.785 7.836 -15.320 222 H LYS 31 H LYS 31 -12.548 8.355 -14.189 223 HA LYS 31 HA LYS 31 -12.994 10.993 -15.286 224 1HB LYS 31 2HB LYS 31 -12.918 9.968 -12.451 225 2HB LYS 31 1HB LYS 31 -13.213 11.648 -12.875 226 1HG LYS 31 2HG LYS 31 -15.234 11.075 -14.018 227 2HG LYS 31 1HG LYS 31 -14.907 9.354 -13.828 228 1HD LYS 31 2HD LYS 31 -16.563 10.052 -12.210 229 2HD LYS 31 1HD LYS 31 -15.068 9.624 -11.378 230 1HE LYS 31 2HE LYS 31 -15.800 12.451 -12.115 231 2HE LYS 31 1HE LYS 31 -16.227 11.717 -10.571 232 1HZ LYS 31 1HZ LYS 31 -14.254 12.417 -9.873 233 2HZ LYS 31 2HZ LYS 31 -13.731 12.802 -11.433 234 3HZ LYS 31 3HZ LYS 31 -13.552 11.224 -10.846 235 H TYR 32 H TYR 32 -10.507 9.348 -13.385 236 HA TYR 32 HA TYR 32 -8.777 11.687 -13.830 237 1HB TYR 32 2HB TYR 32 -8.703 9.718 -11.540 238 2HB TYR 32 1HB TYR 32 -7.562 11.035 -11.779 239 HD1 TYR 32 1HD TYR 32 -8.908 13.389 -12.246 240 HD2 TYR 32 2HD TYR 32 -10.281 10.105 -9.917 241 HE1 TYR 32 1HE TYR 32 -10.386 14.902 -10.993 242 HE2 TYR 32 2HE TYR 32 -11.763 11.607 -8.659 243 HH TYR 32 HH TYR 32 -11.584 14.415 -8.208 244 H ASN 33 H ASN 33 -8.764 8.151 -13.501 245 HA ASN 33 HA ASN 33 -7.484 6.547 -14.487 246 1HB ASN 33 2HB ASN 33 -7.958 7.903 -16.568 247 2HB ASN 33 1HB ASN 33 -6.428 8.728 -16.299 248 1HD2 ASN 33 1HD2 ASN 33 -7.860 6.340 -17.984 249 2HD2 ASN 33 2HD2 ASN 33 -6.492 5.337 -18.314 250 H ILE 34 H ILE 34 -6.542 7.512 -12.164 251 HA ILE 34 HA ILE 34 -3.666 7.226 -12.504 252 HB ILE 34 HB ILE 34 -4.839 9.558 -10.982 253 1HG1 ILE 34 2HG1 ILE 34 -3.209 9.477 -13.532 254 2HG1 ILE 34 1HG1 ILE 34 -4.911 9.912 -13.404 255 1HG2 ILE 34 1HG2 ILE 34 -2.315 8.205 -10.777 256 2HG2 ILE 34 2HG2 ILE 34 -2.947 9.544 -9.819 257 3HG2 ILE 34 3HG2 ILE 34 -2.072 9.867 -11.316 258 1HD1 ILE 34 1HD1 ILE 34 -4.189 12.011 -13.306 259 2HD1 ILE 34 2HD1 ILE 34 -2.532 11.514 -12.955 260 3HD1 ILE 34 3HD1 ILE 34 -3.712 11.641 -11.649 261 H GLU 35 H GLU 35 -3.198 5.582 -11.234 262 HA GLU 35 HA GLU 35 -4.657 4.335 -9.341 263 1HB GLU 35 2HB GLU 35 -2.520 3.487 -8.396 264 2HB GLU 35 1HB GLU 35 -2.596 3.400 -10.152 265 1HG GLU 35 2HG GLU 35 -1.273 5.478 -10.277 266 2HG GLU 35 1HG GLU 35 -1.134 5.462 -8.519 267 H LYS 36 H LYS 36 -2.447 7.040 -8.691 268 HA LYS 36 HA LYS 36 -2.755 7.037 -5.892 269 1HB LYS 36 2HB LYS 36 -0.937 8.211 -7.066 270 2HB LYS 36 1HB LYS 36 -2.103 9.347 -7.727 271 1HG LYS 36 2HG LYS 36 -2.679 9.955 -5.345 272 2HG LYS 36 1HG LYS 36 -1.264 9.014 -4.862 273 1HD LYS 36 2HD LYS 36 -0.644 11.335 -5.032 274 2HD LYS 36 1HD LYS 36 0.126 10.434 -6.341 275 1HE LYS 36 2HE LYS 36 -1.598 11.191 -7.889 276 2HE LYS 36 1HE LYS 36 -2.405 12.057 -6.584 277 1HZ LYS 36 1HZ LYS 36 -0.676 13.199 -8.229 278 2HZ LYS 36 2HZ LYS 36 0.398 12.701 -7.022 279 3HZ LYS 36 3HZ LYS 36 -0.898 13.716 -6.635 280 H ASP 37 H ASP 37 -4.223 9.204 -8.307 281 HA ASP 37 HA ASP 37 -5.924 10.552 -6.557 282 1HB ASP 37 2HB ASP 37 -6.254 10.032 -9.514 283 2HB ASP 37 1HB ASP 37 -7.190 11.202 -8.591 284 H ILE 38 H ILE 38 -6.607 7.682 -8.562 285 HA ILE 38 HA ILE 38 -9.310 7.429 -8.108 286 HB ILE 38 HB ILE 38 -7.351 5.131 -8.189 287 1HG1 ILE 38 2HG1 ILE 38 -6.893 6.160 -10.203 288 2HG1 ILE 38 1HG1 ILE 38 -8.235 5.133 -10.669 289 1HG2 ILE 38 1HG2 ILE 38 -9.157 3.900 -7.798 290 2HG2 ILE 38 2HG2 ILE 38 -9.675 4.330 -9.428 291 3HG2 ILE 38 3HG2 ILE 38 -10.245 5.265 -8.045 292 1HD1 ILE 38 1HD1 ILE 38 -9.576 7.354 -9.994 293 2HD1 ILE 38 2HD1 ILE 38 -8.971 7.026 -11.615 294 3HD1 ILE 38 3HD1 ILE 38 -8.053 8.061 -10.524 295 H ALA 39 H ALA 39 -6.716 5.996 -6.138 296 HA ALA 39 HA ALA 39 -8.407 4.913 -4.170 297 1HB ALA 39 1HB ALA 39 -6.367 3.946 -4.005 298 2HB ALA 39 2HB ALA 39 -6.129 5.214 -2.803 299 3HB ALA 39 3HB ALA 39 -5.509 5.425 -4.439 300 H ALA 40 H ALA 40 -7.173 8.122 -4.662 301 HA ALA 40 HA ALA 40 -7.390 9.095 -2.030 302 1HB ALA 40 1HB ALA 40 -6.584 10.110 -4.478 303 2HB ALA 40 2HB ALA 40 -6.594 10.964 -2.934 304 3HB ALA 40 3HB ALA 40 -7.969 11.108 -4.029 305 H HIS 41 H HIS 41 -9.650 9.545 -4.766 306 HA HIS 41 HA HIS 41 -11.658 10.748 -3.198 307 1HB HIS 41 2HB HIS 41 -12.844 10.908 -5.136 308 2HB HIS 41 1HB HIS 41 -11.287 10.503 -5.848 309 HD1 HIS 41 1HD HIS 41 -14.451 8.731 -4.717 310 HD2 HIS 41 2HD HIS 41 -11.363 8.324 -7.467 311 HE1 HIS 41 1HE HIS 41 -15.061 6.735 -6.115 312 HE2 HIS 41 2HE HIS 41 -13.102 6.416 -7.660 313 H ILE 42 H ILE 42 -11.237 7.389 -4.294 314 HA ILE 42 HA ILE 42 -13.604 6.373 -3.190 315 HB ILE 42 HB ILE 42 -10.980 4.953 -3.680 316 1HG1 ILE 42 2HG1 ILE 42 -13.512 5.127 -5.319 317 2HG1 ILE 42 1HG1 ILE 42 -11.978 5.909 -5.692 318 1HG2 ILE 42 1HG2 ILE 42 -12.981 3.073 -3.846 319 2HG2 ILE 42 2HG2 ILE 42 -13.461 4.045 -2.456 320 3HG2 ILE 42 3HG2 ILE 42 -11.870 3.283 -2.494 321 1HD1 ILE 42 1HD1 ILE 42 -11.312 4.112 -6.782 322 2HD1 ILE 42 2HD1 ILE 42 -12.862 3.344 -6.441 323 3HD1 ILE 42 3HD1 ILE 42 -11.510 3.131 -5.330 324 H LYS 43 H LYS 43 -10.412 6.882 -1.779 325 HA LYS 43 HA LYS 43 -10.783 5.466 0.609 326 1HB LYS 43 2HB LYS 43 -8.594 6.306 -0.105 327 2HB LYS 43 1HB LYS 43 -9.144 7.960 0.117 328 1HG LYS 43 2HG LYS 43 -9.395 7.571 2.506 329 2HG LYS 43 1HG LYS 43 -8.880 5.896 2.294 330 1HD LYS 43 2HD LYS 43 -6.709 6.663 1.479 331 2HD LYS 43 1HD LYS 43 -7.224 8.340 1.674 332 1HE LYS 43 2HE LYS 43 -6.964 6.299 3.879 333 2HE LYS 43 1HE LYS 43 -5.833 7.609 3.546 334 1HZ LYS 43 1HZ LYS 43 -7.178 8.402 5.256 335 2HZ LYS 43 2HZ LYS 43 -8.598 7.788 4.572 336 3HZ LYS 43 3HZ LYS 43 -7.831 9.124 3.870 337 H LYS 44 H LYS 44 -11.250 8.936 -0.054 338 HA LYS 44 HA LYS 44 -12.326 9.493 2.516 339 1HB LYS 44 2HB LYS 44 -12.553 11.073 -0.050 340 2HB LYS 44 1HB LYS 44 -12.932 11.677 1.557 341 1HG LYS 44 2HG LYS 44 -10.605 11.380 2.226 342 2HG LYS 44 1HG LYS 44 -10.222 10.756 0.621 343 1HD LYS 44 2HD LYS 44 -10.897 12.900 -0.363 344 2HD LYS 44 1HD LYS 44 -11.263 13.519 1.247 345 1HE LYS 44 2HE LYS 44 -8.559 12.605 0.273 346 2HE LYS 44 1HE LYS 44 -9.072 14.279 0.475 347 1HZ LYS 44 1HZ LYS 44 -9.326 13.887 2.838 348 2HZ LYS 44 2HZ LYS 44 -7.752 13.506 2.351 349 3HZ LYS 44 3HZ LYS 44 -8.867 12.270 2.653 350 H GLU 45 H GLU 45 -13.825 8.907 -0.644 351 HA GLU 45 HA GLU 45 -16.443 9.530 -0.064 352 1HB GLU 45 2HB GLU 45 -15.651 8.901 -2.302 353 2HB GLU 45 1HB GLU 45 -15.450 7.238 -1.769 354 1HG GLU 45 2HG GLU 45 -17.480 7.457 -3.042 355 2HG GLU 45 1HG GLU 45 -17.864 7.091 -1.360 356 H PHE 46 H PHE 46 -14.910 6.327 0.338 357 HA PHE 46 HA PHE 46 -17.203 5.200 1.602 358 1HB PHE 46 2HB PHE 46 -14.339 4.280 1.395 359 2HB PHE 46 1HB PHE 46 -15.578 3.357 2.238 360 HD1 PHE 46 1HD PHE 46 -15.203 5.080 -1.063 361 HD2 PHE 46 2HD PHE 46 -16.490 1.631 1.068 362 HE1 PHE 46 1HE PHE 46 -15.863 4.024 -3.181 363 HE2 PHE 46 2HE PHE 46 -17.151 0.566 -1.047 364 HZ PHE 46 HZ PHE 46 -16.837 1.761 -3.177 365 H ASP 47 H ASP 47 -14.123 6.468 2.767 366 HA ASP 47 HA ASP 47 -14.338 5.897 5.464 367 1HB ASP 47 2HB ASP 47 -12.331 6.828 4.351 368 2HB ASP 47 1HB ASP 47 -13.157 8.374 4.185 369 H LYS 48 H LYS 48 -15.767 8.472 3.570 370 HA LYS 48 HA LYS 48 -16.781 9.975 5.776 371 1HB LYS 48 2HB LYS 48 -16.322 10.615 3.253 372 2HB LYS 48 1HB LYS 48 -17.996 10.117 3.056 373 1HG LYS 48 2HG LYS 48 -16.960 12.282 4.866 374 2HG LYS 48 1HG LYS 48 -17.889 12.489 3.380 375 1HD LYS 48 2HD LYS 48 -19.813 11.436 4.387 376 2HD LYS 48 1HD LYS 48 -18.886 11.060 5.839 377 1HE LYS 48 2HE LYS 48 -18.599 13.420 6.298 378 2HE LYS 48 1HE LYS 48 -19.480 13.831 4.826 379 1HZ LYS 48 1HZ LYS 48 -20.483 12.924 7.396 380 2HZ LYS 48 2HZ LYS 48 -21.251 12.262 6.042 381 3HZ LYS 48 3HZ LYS 48 -21.202 13.941 6.249 382 H LYS 49 H LYS 49 -18.274 7.778 3.423 383 HA LYS 49 HA LYS 49 -20.854 7.895 4.628 384 1HB LYS 49 2HB LYS 49 -19.735 5.911 2.651 385 2HB LYS 49 1HB LYS 49 -21.432 6.080 3.076 386 1HG LYS 49 2HG LYS 49 -21.391 8.386 2.204 387 2HG LYS 49 1HG LYS 49 -19.714 8.137 1.708 388 1HD LYS 49 2HD LYS 49 -20.397 6.331 0.230 389 2HD LYS 49 1HD LYS 49 -22.071 6.508 0.760 390 1HE LYS 49 2HE LYS 49 -20.439 8.595 -0.679 391 2HE LYS 49 1HE LYS 49 -21.693 7.590 -1.401 392 1HZ LYS 49 1HZ LYS 49 -21.943 9.923 0.308 393 2HZ LYS 49 2HZ LYS 49 -23.029 8.666 0.629 394 3HZ LYS 49 3HZ LYS 49 -22.970 9.358 -0.913 395 H TYR 50 H TYR 50 -18.825 5.030 4.170 396 HA TYR 50 HA TYR 50 -20.160 3.581 6.195 397 1HB TYR 50 2HB TYR 50 -17.542 3.017 4.801 398 2HB TYR 50 1HB TYR 50 -18.410 1.871 5.819 399 HD1 TYR 50 1HD TYR 50 -17.995 0.674 3.420 400 HD2 TYR 50 2HD TYR 50 -20.861 3.730 4.184 401 HE1 TYR 50 1HE TYR 50 -19.297 -0.056 1.470 402 HE2 TYR 50 2HE TYR 50 -22.161 3.008 2.239 403 HH TYR 50 HH TYR 50 -21.538 0.064 0.600 404 H ASN 51 H ASN 51 -17.681 5.893 6.357 405 HA ASN 51 HA ASN 51 -16.930 6.887 8.313 406 1HB ASN 51 2HB ASN 51 -17.376 4.242 9.713 407 2HB ASN 51 1HB ASN 51 -16.926 5.767 10.465 408 1HD2 ASN 51 1HD2 ASN 51 -19.417 3.752 10.008 409 2HD2 ASN 51 2HD2 ASN 51 -20.736 4.865 10.099 410 HA PRO 52 HA PRO 52 -12.753 5.860 7.601 411 1HB PRO 52 2HB PRO 52 -11.627 6.860 9.925 412 2HB PRO 52 1HB PRO 52 -12.064 7.842 8.528 413 1HG PRO 52 2HG PRO 52 -13.579 7.371 11.059 414 2HG PRO 52 1HG PRO 52 -13.366 8.875 10.142 415 1HD PRO 52 2HD PRO 52 -15.635 7.460 9.992 416 2HD PRO 52 1HD PRO 52 -14.968 8.289 8.570 417 H THR 53 H THR 53 -11.245 3.324 9.634 418 HA THR 53 HA THR 53 -11.014 5.546 7.723 419 HB THR 53 HB THR 53 -9.526 5.747 9.702 420 HG1 THR 53 1HG THR 53 -8.907 6.464 7.536 421 1HG2 THR 53 1HG2 THR 53 -7.641 4.284 9.989 422 2HG2 THR 53 2HG2 THR 53 -8.181 3.277 8.646 423 3HG2 THR 53 3HG2 THR 53 -9.139 3.364 10.124 424 H TRP 54 H TRP 54 -10.626 5.007 5.663 425 HA TRP 54 HA TRP 54 -10.250 2.175 5.077 426 1HB TRP 54 2HB TRP 54 -11.103 4.468 3.320 427 2HB TRP 54 1HB TRP 54 -10.899 2.810 2.761 428 HD1 TRP 54 HD TRP 54 -12.855 4.526 5.645 429 HE1 TRP 54 1HE TRP 54 -15.170 3.423 5.784 430 HE3 TRP 54 3HE TRP 54 -12.323 1.081 1.909 431 HZ2 TRP 54 2HZ TRP 54 -16.585 1.352 4.476 432 HZ3 TRP 54 3HZ TRP 54 -14.204 -0.426 1.417 433 HH2 TRP 54 HH TRP 54 -16.291 -0.292 2.677 434 H HIS 55 H HIS 55 -8.481 1.341 4.295 435 HA HIS 55 HA HIS 55 -6.253 3.108 3.612 436 1HB HIS 55 2HB HIS 55 -6.180 0.100 3.879 437 2HB HIS 55 1HB HIS 55 -4.828 1.225 3.968 438 HD1 HIS 55 1HD HIS 55 -5.492 3.135 6.086 439 HD2 HIS 55 2HD HIS 55 -6.661 -0.843 6.350 440 HE1 HIS 55 1HE HIS 55 -5.907 2.717 8.530 441 HE2 HIS 55 2HE HIS 55 -6.512 0.275 8.676 442 H CYS 56 H CYS 56 -5.605 3.356 1.529 443 HA CYS 56 HA CYS 56 -6.748 1.496 -0.452 444 1HB CYS 56 2HB CYS 56 -6.416 4.486 -0.699 445 2HB CYS 56 1HB CYS 56 -6.893 3.423 -2.017 446 HG CYS 56 HG CYS 56 -8.669 3.907 0.492 447 H ILE 57 H ILE 57 -5.544 0.871 -2.144 448 HA ILE 57 HA ILE 57 -2.907 1.986 -2.614 449 HB ILE 57 HB ILE 57 -3.252 -0.945 -1.956 450 1HG1 ILE 57 2HG1 ILE 57 -1.872 1.244 -0.390 451 2HG1 ILE 57 1HG1 ILE 57 -3.374 0.449 0.063 452 1HG2 ILE 57 1HG2 ILE 57 -1.564 -0.605 -3.639 453 2HG2 ILE 57 2HG2 ILE 57 -0.779 -0.987 -2.106 454 3HG2 ILE 57 3HG2 ILE 57 -0.819 0.677 -2.684 455 1HD1 ILE 57 1HD1 ILE 57 -0.943 -1.208 -0.365 456 2HD1 ILE 57 2HD1 ILE 57 -2.319 -1.474 0.704 457 3HD1 ILE 57 3HD1 ILE 57 -1.099 -0.270 1.119 458 H VAL 58 H VAL 58 -2.424 1.885 -4.756 459 HA VAL 58 HA VAL 58 -3.636 -0.131 -6.454 460 HB VAL 58 HB VAL 58 -4.167 2.793 -6.995 461 1HG1 VAL 58 1HG1 VAL 58 -5.635 1.932 -8.774 462 2HG1 VAL 58 2HG1 VAL 58 -5.091 0.294 -8.407 463 3HG1 VAL 58 3HG1 VAL 58 -3.946 1.487 -9.021 464 1HG2 VAL 58 1HG2 VAL 58 -5.542 2.183 -5.154 465 2HG2 VAL 58 2HG2 VAL 58 -5.968 0.643 -5.899 466 3HG2 VAL 58 3HG2 VAL 58 -6.563 2.151 -6.591 467 H GLY 59 H GLY 59 -2.481 -0.519 -8.291 468 1HA GLY 59 2HA GLY 59 -0.791 1.240 -9.627 469 2HA GLY 59 1HA GLY 59 0.186 0.451 -8.398 470 H ARG 60 H ARG 60 1.448 -0.887 -9.530 471 HA ARG 60 HA ARG 60 0.240 -3.188 -10.783 472 1HB ARG 60 2HB ARG 60 1.931 -1.321 -12.455 473 2HB ARG 60 1HB ARG 60 1.369 -2.908 -12.954 474 1HG ARG 60 2HG ARG 60 -0.950 -2.119 -12.802 475 2HG ARG 60 1HG ARG 60 -0.359 -0.520 -12.349 476 1HD ARG 60 2HD ARG 60 -0.887 -0.588 -14.718 477 2HD ARG 60 1HD ARG 60 0.844 -0.369 -14.476 478 HE ARG 60 HE ARG 60 0.329 -3.105 -14.746 479 1HH1 ARG 60 1HH1 ARG 60 0.229 -0.191 -16.663 480 2HH1 ARG 60 2HH1 ARG 60 0.541 -1.012 -18.156 481 1HH2 ARG 60 1HH2 ARG 60 0.739 -4.187 -16.707 482 2HH2 ARG 60 2HH2 ARG 60 0.831 -3.282 -18.181 483 H ASN 61 H ASN 61 1.957 -2.762 -8.553 484 HA ASN 61 HA ASN 61 3.698 -4.813 -8.594 485 1HB ASN 61 2HB ASN 61 4.912 -3.774 -10.469 486 2HB ASN 61 1HB ASN 61 5.168 -2.324 -9.511 487 1HD2 ASN 61 1HD2 ASN 61 5.383 -5.183 -7.670 488 2HD2 ASN 61 2HD2 ASN 61 7.102 -5.301 -7.635 489 H PHE 62 H PHE 62 2.828 -4.643 -6.455 490 HA PHE 62 HA PHE 62 4.544 -3.100 -4.704 491 1HB PHE 62 2HB PHE 62 2.735 -1.939 -3.569 492 2HB PHE 62 1HB PHE 62 2.757 -1.522 -5.277 493 HD1 PHE 62 1HD PHE 62 1.244 -3.147 -6.770 494 HD2 PHE 62 2HD PHE 62 0.688 -2.350 -2.628 495 HE1 PHE 62 1HE PHE 62 -1.119 -3.799 -6.968 496 HE2 PHE 62 2HE PHE 62 -1.677 -3.002 -2.817 497 HZ PHE 62 HZ PHE 62 -2.582 -3.728 -4.988 498 H GLY 63 H GLY 63 4.992 -4.150 -2.925 499 1HA GLY 63 2HA GLY 63 3.278 -6.427 -2.137 500 2HA GLY 63 1HA GLY 63 4.985 -6.254 -1.731 501 H SER 64 H SER 64 2.259 -6.388 -0.129 502 HA SER 64 HA SER 64 3.179 -4.465 1.843 503 1HB SER 64 2HB SER 64 1.790 -3.045 0.486 504 2HB SER 64 1HB SER 64 0.467 -4.211 0.547 505 HG SER 64 HG SER 64 -0.025 -2.782 2.107 506 H TYR 65 H TYR 65 2.256 -4.603 3.866 507 HA TYR 65 HA TYR 65 0.497 -6.869 4.449 508 1HB TYR 65 2HB TYR 65 2.919 -7.540 4.778 509 2HB TYR 65 1HB TYR 65 3.022 -6.299 6.024 510 HD1 TYR 65 1HD TYR 65 0.674 -9.081 5.145 511 HD2 TYR 65 2HD TYR 65 2.906 -7.098 8.170 512 HE1 TYR 65 1HE TYR 65 -0.147 -10.700 6.802 513 HE2 TYR 65 2HE TYR 65 2.092 -8.713 9.837 514 HH TYR 65 HH TYR 65 0.066 -10.238 10.086 515 H VAL 66 H VAL 66 -1.075 -6.252 5.854 516 HA VAL 66 HA VAL 66 -0.639 -4.043 7.707 517 HB VAL 66 HB VAL 66 -2.876 -3.907 5.682 518 1HG1 VAL 66 1HG1 VAL 66 -3.302 -2.725 7.767 519 2HG1 VAL 66 2HG1 VAL 66 -3.092 -1.598 6.429 520 3HG1 VAL 66 3HG1 VAL 66 -1.785 -1.847 7.583 521 1HG2 VAL 66 1HG2 VAL 66 -0.832 -3.668 4.447 522 2HG2 VAL 66 2HG2 VAL 66 -0.201 -2.520 5.626 523 3HG2 VAL 66 3HG2 VAL 66 -1.576 -2.078 4.614 524 H THR 67 H THR 67 -2.524 -3.711 9.161 525 HA THR 67 HA THR 67 -4.054 -6.216 9.527 526 HB THR 67 HB THR 67 -3.324 -4.080 11.552 527 HG1 THR 67 1HG THR 67 -1.838 -5.485 12.271 528 1HG2 THR 67 1HG2 THR 67 -5.312 -4.958 12.375 529 2HG2 THR 67 2HG2 THR 67 -4.057 -5.902 13.180 530 3HG2 THR 67 3HG2 THR 67 -4.934 -6.586 11.812 531 H HIS 68 H HIS 68 -6.304 -6.034 10.153 532 HA HIS 68 HA HIS 68 -7.632 -3.500 10.118 533 1HB HIS 68 2HB HIS 68 -8.887 -3.940 7.991 534 2HB HIS 68 1HB HIS 68 -7.173 -3.589 7.766 535 HD1 HIS 68 1HD HIS 68 -9.540 -6.542 7.856 536 HD2 HIS 68 2HD HIS 68 -5.746 -5.540 6.491 537 HE1 HIS 68 1HE HIS 68 -8.748 -8.537 6.552 538 HE2 HIS 68 2HE HIS 68 -6.420 -7.939 5.798 539 H GLU 69 H GLU 69 -9.762 -3.615 10.727 540 HA GLU 69 HA GLU 69 -10.616 -5.792 12.235 541 1HB GLU 69 2HB GLU 69 -11.452 -3.534 12.580 542 2HB GLU 69 1HB GLU 69 -12.232 -3.556 11.008 543 1HG GLU 69 2HG GLU 69 -13.854 -3.894 12.745 544 2HG GLU 69 1HG GLU 69 -13.705 -5.352 11.767 545 H THR 70 H THR 70 -12.507 -7.157 11.928 546 HA THR 70 HA THR 70 -12.382 -8.731 9.647 547 HB THR 70 HB THR 70 -14.489 -9.753 10.445 548 HG1 THR 70 1HG THR 70 -14.484 -7.506 12.154 549 1HG2 THR 70 1HG2 THR 70 -13.673 -10.693 12.375 550 2HG2 THR 70 2HG2 THR 70 -12.911 -9.194 12.910 551 3HG2 THR 70 3HG2 THR 70 -12.199 -10.124 11.591 552 H LYS 71 H LYS 71 -13.778 -9.077 7.907 553 HA LYS 71 HA LYS 71 -15.062 -8.499 6.125 554 1HB LYS 71 2HB LYS 71 -16.497 -6.904 8.244 555 2HB LYS 71 1HB LYS 71 -17.077 -7.072 6.593 556 1HG LYS 71 2HG LYS 71 -16.644 -9.322 8.546 557 2HG LYS 71 1HG LYS 71 -18.200 -8.624 8.090 558 1HD LYS 71 2HD LYS 71 -17.808 -9.310 5.762 559 2HD LYS 71 1HD LYS 71 -16.274 -10.036 6.244 560 1HE LYS 71 2HE LYS 71 -17.466 -11.563 7.735 561 2HE LYS 71 1HE LYS 71 -19.000 -10.838 7.251 562 1HZ LYS 71 1HZ LYS 71 -18.080 -11.486 4.881 563 2HZ LYS 71 2HZ LYS 71 -18.948 -12.585 5.831 564 3HZ LYS 71 3HZ LYS 71 -17.259 -12.662 5.779 565 H HIS 72 H HIS 72 -12.706 -6.823 6.960 566 HA HIS 72 HA HIS 72 -13.356 -4.486 5.291 567 1HB HIS 72 2HB HIS 72 -11.504 -4.543 7.685 568 2HB HIS 72 1HB HIS 72 -11.730 -3.173 6.610 569 HD1 HIS 72 1HD HIS 72 -12.258 -2.532 9.407 570 HD2 HIS 72 2HD HIS 72 -15.205 -4.189 6.999 571 HE1 HIS 72 1HE HIS 72 -14.439 -1.937 10.507 572 HE2 HIS 72 2HE HIS 72 -16.202 -3.034 9.082 573 H PHE 73 H PHE 73 -12.568 -6.230 3.697 574 HA PHE 73 HA PHE 73 -9.850 -5.595 3.022 575 1HB PHE 73 2HB PHE 73 -9.311 -7.328 4.558 576 2HB PHE 73 1HB PHE 73 -10.580 -8.373 3.947 577 HD1 PHE 73 1HD PHE 73 -10.305 -8.988 1.358 578 HD2 PHE 73 2HD PHE 73 -7.164 -7.767 3.951 579 HE1 PHE 73 1HE PHE 73 -8.669 -10.067 -0.125 580 HE2 PHE 73 2HE PHE 73 -5.517 -8.840 2.471 581 HZ PHE 73 HZ PHE 73 -6.269 -9.994 0.429 582 H ILE 74 H ILE 74 -9.579 -5.606 0.878 583 HA ILE 74 HA ILE 74 -10.970 -7.421 -0.852 584 HB ILE 74 HB ILE 74 -12.783 -5.835 -0.464 585 1HG1 ILE 74 2HG1 ILE 74 -11.548 -5.543 -3.212 586 2HG1 ILE 74 1HG1 ILE 74 -12.578 -6.868 -2.684 587 1HG2 ILE 74 1HG2 ILE 74 -12.442 -3.482 -1.434 588 2HG2 ILE 74 2HG2 ILE 74 -10.719 -3.815 -1.261 589 3HG2 ILE 74 3HG2 ILE 74 -11.767 -3.834 0.156 590 1HD1 ILE 74 1HD1 ILE 74 -14.302 -5.720 -3.455 591 2HD1 ILE 74 2HD1 ILE 74 -13.297 -4.301 -3.744 592 3HD1 ILE 74 3HD1 ILE 74 -14.037 -4.552 -2.161 593 H TYR 75 H TYR 75 -10.022 -7.594 -2.808 594 HA TYR 75 HA TYR 75 -8.196 -5.573 -3.806 595 1HB TYR 75 2HB TYR 75 -6.768 -6.868 -2.275 596 2HB TYR 75 1HB TYR 75 -7.225 -8.355 -3.100 597 HD1 TYR 75 1HD TYR 75 -6.022 -4.981 -4.192 598 HD2 TYR 75 2HD TYR 75 -5.525 -9.200 -4.394 599 HE1 TYR 75 1HE TYR 75 -4.150 -4.680 -5.757 600 HE2 TYR 75 2HE TYR 75 -3.651 -8.910 -5.957 601 HH TYR 75 HH TYR 75 -2.250 -7.433 -6.910 602 H PHE 76 H PHE 76 -8.117 -5.617 -6.025 603 HA PHE 76 HA PHE 76 -8.621 -7.971 -7.552 604 1HB PHE 76 2HB PHE 76 -10.792 -7.293 -8.504 605 2HB PHE 76 1HB PHE 76 -10.897 -7.585 -6.769 606 HD1 PHE 76 1HD PHE 76 -10.389 -5.352 -5.334 607 HD2 PHE 76 2HD PHE 76 -11.919 -5.479 -9.302 608 HE1 PHE 76 1HE PHE 76 -11.362 -3.115 -5.027 609 HE2 PHE 76 2HE PHE 76 -12.895 -3.242 -9.002 610 HZ PHE 76 HZ PHE 76 -12.617 -2.055 -6.862 611 H TYR 77 H TYR 77 -8.065 -7.740 -9.674 612 HA TYR 77 HA TYR 77 -6.830 -5.216 -10.424 613 1HB TYR 77 2HB TYR 77 -6.876 -7.925 -11.761 614 2HB TYR 77 1HB TYR 77 -6.074 -6.516 -12.444 615 HD1 TYR 77 1HD TYR 77 -6.179 -8.341 -9.173 616 HD2 TYR 77 2HD TYR 77 -3.807 -6.383 -12.114 617 HE1 TYR 77 1HE TYR 77 -4.150 -8.881 -7.891 618 HE2 TYR 77 2HE TYR 77 -1.772 -6.915 -10.841 619 HH TYR 77 HH TYR 77 -1.032 -8.576 -9.166 620 H LEU 78 H LEU 78 -7.198 -4.251 -12.550 621 HA LEU 78 HA LEU 78 -9.516 -4.933 -14.061 622 1HB LEU 78 2HB LEU 78 -10.648 -3.892 -12.184 623 2HB LEU 78 1HB LEU 78 -9.637 -2.472 -12.326 624 HG LEU 78 HG LEU 78 -10.670 -1.848 -14.402 625 1HD1 LEU 78 1HD1 LEU 78 -12.167 -3.134 -15.627 626 2HD1 LEU 78 2HD1 LEU 78 -12.517 -4.195 -14.266 627 3HD1 LEU 78 3HD1 LEU 78 -10.970 -4.315 -15.098 628 1HD2 LEU 78 1HD2 LEU 78 -12.215 -0.879 -13.131 629 2HD2 LEU 78 2HD2 LEU 78 -12.154 -2.198 -11.964 630 3HD2 LEU 78 3HD2 LEU 78 -13.230 -2.304 -13.360 631 H GLY 79 H GLY 79 -9.364 -4.180 -16.080 632 1HA GLY 79 2HA GLY 79 -8.641 -3.013 -17.914 633 2HA GLY 79 1HA GLY 79 -8.213 -1.702 -16.825 634 H GLN 80 H GLN 80 -6.234 -2.261 -15.427 635 HA GLN 80 HA GLN 80 -4.292 -4.053 -16.262 636 1HB GLN 80 2HB GLN 80 -2.724 -2.576 -17.468 637 2HB GLN 80 1HB GLN 80 -4.222 -2.808 -18.357 638 1HG GLN 80 2HG GLN 80 -5.019 -0.633 -17.590 639 2HG GLN 80 1HG GLN 80 -3.517 -0.400 -16.696 640 1HE2 GLN 80 1HE2 GLN 80 -5.077 0.430 -19.420 641 2HE2 GLN 80 2HE2 GLN 80 -3.734 0.768 -20.454 642 H VAL 81 H VAL 81 -5.366 -2.921 -13.891 643 HA VAL 81 HA VAL 81 -2.909 -2.271 -12.530 644 HB VAL 81 HB VAL 81 -3.790 -0.205 -11.475 645 1HG1 VAL 81 1HG1 VAL 81 -3.292 1.279 -13.311 646 2HG1 VAL 81 2HG1 VAL 81 -3.608 -0.005 -14.478 647 3HG1 VAL 81 3HG1 VAL 81 -2.228 -0.124 -13.386 648 1HG2 VAL 81 1HG2 VAL 81 -5.868 -0.209 -13.653 649 2HG2 VAL 81 2HG2 VAL 81 -5.698 0.932 -12.320 650 3HG2 VAL 81 3HG2 VAL 81 -6.194 -0.730 -12.001 651 H ALA 82 H ALA 82 -2.951 -2.953 -10.458 652 HA ALA 82 HA ALA 82 -5.332 -4.337 -9.564 653 1HB ALA 82 1HB ALA 82 -2.611 -4.782 -9.279 654 2HB ALA 82 2HB ALA 82 -3.913 -5.667 -8.483 655 3HB ALA 82 3HB ALA 82 -3.145 -4.306 -7.666 656 H ILE 83 H ILE 83 -6.757 -3.596 -8.124 657 HA ILE 83 HA ILE 83 -6.068 -1.149 -6.641 658 HB ILE 83 HB ILE 83 -8.813 -2.168 -7.395 659 1HG1 ILE 83 2HG1 ILE 83 -8.818 0.021 -8.724 660 2HG1 ILE 83 1HG1 ILE 83 -7.073 0.042 -8.483 661 1HG2 ILE 83 1HG2 ILE 83 -9.219 0.373 -6.635 662 2HG2 ILE 83 2HG2 ILE 83 -7.882 -0.046 -5.567 663 3HG2 ILE 83 3HG2 ILE 83 -9.364 -1.001 -5.540 664 1HD1 ILE 83 1HD1 ILE 83 -8.562 -1.297 -10.470 665 2HD1 ILE 83 2HD1 ILE 83 -7.804 -2.521 -9.451 666 3HD1 ILE 83 3HD1 ILE 83 -6.815 -1.282 -10.224 667 H LEU 84 H LEU 84 -6.230 -1.105 -4.466 668 HA LEU 84 HA LEU 84 -7.300 -3.492 -3.118 669 1HB LEU 84 2HB LEU 84 -4.869 -3.598 -3.092 670 2HB LEU 84 1HB LEU 84 -4.783 -1.975 -2.436 671 HG LEU 84 HG LEU 84 -5.879 -2.762 -0.370 672 1HD1 LEU 84 1HD1 LEU 84 -6.824 -4.767 -0.154 673 2HD1 LEU 84 2HD1 LEU 84 -5.431 -5.590 -0.857 674 3HD1 LEU 84 3HD1 LEU 84 -6.676 -4.910 -1.904 675 1HD2 LEU 84 1HD2 LEU 84 -3.913 -3.392 0.538 676 2HD2 LEU 84 2HD2 LEU 84 -3.286 -2.990 -1.062 677 3HD2 LEU 84 3HD2 LEU 84 -3.648 -4.667 -0.651 678 H LEU 85 H LEU 85 -8.385 -3.154 -1.194 679 HA LEU 85 HA LEU 85 -8.483 -0.520 -0.015 680 1HB LEU 85 2HB LEU 85 -10.083 -0.324 -1.863 681 2HB LEU 85 1HB LEU 85 -10.949 -1.727 -1.268 682 HG LEU 85 HG LEU 85 -11.531 -0.503 0.783 683 1HD1 LEU 85 1HD1 LEU 85 -10.418 1.307 1.406 684 2HD1 LEU 85 2HD1 LEU 85 -10.952 2.156 -0.045 685 3HD1 LEU 85 3HD1 LEU 85 -9.456 1.221 -0.069 686 1HD2 LEU 85 1HD2 LEU 85 -12.778 1.439 -0.590 687 2HD2 LEU 85 2HD2 LEU 85 -13.301 -0.245 -0.598 688 3HD2 LEU 85 3HD2 LEU 85 -12.317 0.379 -1.922 689 H PHE 86 H PHE 86 -9.175 -0.522 2.081 690 HA PHE 86 HA PHE 86 -10.713 -2.531 3.299 691 1HB PHE 86 2HB PHE 86 -8.980 -3.685 4.615 692 2HB PHE 86 1HB PHE 86 -8.797 -3.977 2.891 693 HD1 PHE 86 1HD PHE 86 -7.171 -2.190 1.706 694 HD2 PHE 86 2HD PHE 86 -7.099 -3.279 5.816 695 HE1 PHE 86 1HE PHE 86 -4.826 -1.469 1.849 696 HE2 PHE 86 2HE PHE 86 -4.756 -2.559 5.968 697 HZ PHE 86 HZ PHE 86 -3.612 -1.653 3.984 698 H LYS 87 H LYS 87 -11.581 -1.595 5.024 699 HA LYS 87 HA LYS 87 -10.278 0.749 6.162 700 1HB LYS 87 2HB LYS 87 -12.412 1.259 7.183 701 2HB LYS 87 1HB LYS 87 -12.637 0.922 5.474 702 1HG LYS 87 2HG LYS 87 -13.507 -1.254 5.948 703 2HG LYS 87 1HG LYS 87 -13.104 -1.087 7.656 704 1HD LYS 87 2HD LYS 87 -15.081 0.630 6.163 705 2HD LYS 87 1HD LYS 87 -15.501 -0.724 7.211 706 1HE LYS 87 2HE LYS 87 -14.429 0.431 9.098 707 2HE LYS 87 1HE LYS 87 -14.059 1.792 8.040 708 1HZ LYS 87 1HZ LYS 87 -16.171 2.522 8.095 709 2HZ LYS 87 2HZ LYS 87 -16.241 1.656 9.546 710 3HZ LYS 87 3HZ LYS 87 -16.842 0.969 8.122 711 H SER 88 H SER 88 -10.655 1.088 8.567 712 HA SER 88 HA SER 88 -10.547 -1.329 10.177 713 1HB SER 88 2HB SER 88 -8.224 0.612 10.067 714 2HB SER 88 1HB SER 88 -8.387 -0.720 11.214 715 HG SER 88 HG SER 88 -7.126 -1.432 9.529 716 H GLY 89 H GLY 89 -11.408 -0.999 12.148 717 1HA GLY 89 2HA GLY 89 -12.410 0.080 13.908 718 2HA GLY 89 1HA GLY 89 -11.208 1.340 13.677 719 1H MET 1 1HT MET 1 28.875 -0.327 -1.665 720 2H MET 1 2HT MET 1 30.196 -0.025 -0.611 721 3H MET 1 3HT MET 1 29.026 1.197 -0.893 722 HA MET 1 HA MET 1 27.364 -0.408 0.026 723 1HB MET 1 2HB MET 1 29.951 -1.630 1.012 724 2HB MET 1 1HB MET 1 28.343 -2.081 1.561 725 1HG MET 1 2HG MET 1 27.782 -2.834 -0.693 726 2HG MET 1 1HG MET 1 29.393 -2.377 -1.244 727 1HE MET 1 1HE MET 1 28.460 -4.764 -2.054 728 2HE MET 1 2HE MET 1 28.817 -6.267 -1.200 729 3HE MET 1 3HE MET 1 30.118 -5.359 -1.972 730 H CYS 2 H CYS 2 26.512 0.488 1.817 731 HA CYS 2 HA CYS 2 28.192 1.645 3.872 732 1HB CYS 2 2HB CYS 2 26.315 3.377 2.248 733 2HB CYS 2 1HB CYS 2 27.142 3.881 3.716 734 HG CYS 2 HG CYS 2 28.679 4.753 1.944 735 H ASP 3 H ASP 3 27.222 1.584 5.823 736 HA ASP 3 HA ASP 3 24.854 0.135 6.191 737 1HB ASP 3 2HB ASP 3 26.249 2.013 8.111 738 2HB ASP 3 1HB ASP 3 25.020 0.832 8.556 739 H ARG 4 H ARG 4 22.758 0.698 6.491 740 HA ARG 4 HA ARG 4 20.852 1.920 6.360 741 1HB ARG 4 2HB ARG 4 22.661 3.988 7.603 742 2HB ARG 4 1HB ARG 4 20.951 4.277 7.309 743 1HG ARG 4 2HG ARG 4 21.140 3.630 9.564 744 2HG ARG 4 1HG ARG 4 20.481 2.237 8.708 745 1HD ARG 4 2HD ARG 4 22.177 1.507 10.260 746 2HD ARG 4 1HD ARG 4 22.744 1.264 8.610 747 HE ARG 4 HE ARG 4 24.471 2.669 9.081 748 1HH1 ARG 4 1HH1 ARG 4 21.883 3.357 11.319 749 2HH1 ARG 4 2HH1 ARG 4 22.775 4.572 12.168 750 1HH2 ARG 4 1HH2 ARG 4 25.647 4.262 10.202 751 2HH2 ARG 4 2HH2 ARG 4 24.911 5.086 11.537 752 H LYS 5 H LYS 5 22.161 1.651 4.000 753 HA LYS 5 HA LYS 5 22.771 3.986 2.593 754 1HB LYS 5 2HB LYS 5 23.320 1.775 1.735 755 2HB LYS 5 1HB LYS 5 21.613 1.380 1.584 756 1HG LYS 5 2HG LYS 5 22.643 1.949 -0.567 757 2HG LYS 5 1HG LYS 5 21.337 3.055 -0.133 758 1HD LYS 5 2HD LYS 5 22.977 4.686 0.654 759 2HD LYS 5 1HD LYS 5 24.285 3.580 0.230 760 1HE LYS 5 2HE LYS 5 23.981 5.284 -1.490 761 2HE LYS 5 1HE LYS 5 23.618 3.677 -2.115 762 1HZ LYS 5 1HZ LYS 5 21.261 4.139 -1.813 763 2HZ LYS 5 2HZ LYS 5 21.973 5.282 -2.836 764 3HZ LYS 5 3HZ LYS 5 21.617 5.687 -1.232 765 H ALA 6 H ALA 6 19.711 2.452 3.304 766 HA ALA 6 HA ALA 6 17.966 3.547 1.536 767 1HB ALA 6 1HB ALA 6 16.249 3.275 3.159 768 2HB ALA 6 2HB ALA 6 17.397 3.418 4.487 769 3HB ALA 6 3HB ALA 6 17.434 2.001 3.440 770 H VAL 7 H VAL 7 17.147 5.512 1.051 771 HA VAL 7 HA VAL 7 18.113 7.782 2.616 772 HB VAL 7 HB VAL 7 17.399 9.130 0.685 773 1HG1 VAL 7 1HG1 VAL 7 19.123 7.845 -0.930 774 2HG1 VAL 7 2HG1 VAL 7 19.491 7.059 0.604 775 3HG1 VAL 7 3HG1 VAL 7 19.625 8.812 0.455 776 1HG2 VAL 7 1HG2 VAL 7 16.726 8.135 -1.376 777 2HG2 VAL 7 2HG2 VAL 7 15.672 7.506 -0.109 778 3HG2 VAL 7 3HG2 VAL 7 16.989 6.513 -0.735 779 H ILE 8 H ILE 8 16.796 9.184 3.607 780 HA ILE 8 HA ILE 8 14.026 8.415 3.967 781 HB ILE 8 HB ILE 8 15.651 10.622 5.238 782 1HG1 ILE 8 2HG1 ILE 8 15.450 9.200 7.264 783 2HG1 ILE 8 1HG1 ILE 8 14.640 7.974 6.297 784 1HG2 ILE 8 1HG2 ILE 8 13.349 11.325 5.166 785 2HG2 ILE 8 2HG2 ILE 8 13.755 10.845 6.815 786 3HG2 ILE 8 3HG2 ILE 8 12.814 9.763 5.788 787 1HD1 ILE 8 1HD1 ILE 8 16.580 7.433 5.144 788 2HD1 ILE 8 2HD1 ILE 8 17.131 7.692 6.800 789 3HD1 ILE 8 3HD1 ILE 8 17.376 8.945 5.581 790 H LYS 9 H LYS 9 12.236 9.572 3.363 791 HA LYS 9 HA LYS 9 12.697 11.972 1.721 792 1HB LYS 9 2HB LYS 9 10.799 9.702 1.108 793 2HB LYS 9 1HB LYS 9 10.883 11.214 0.213 794 1HG LYS 9 2HG LYS 9 13.084 9.172 0.461 795 2HG LYS 9 1HG LYS 9 12.066 9.450 -0.955 796 1HD LYS 9 2HD LYS 9 12.948 11.729 -1.136 797 2HD LYS 9 1HD LYS 9 13.967 11.446 0.276 798 1HE LYS 9 2HE LYS 9 15.247 11.192 -1.778 799 2HE LYS 9 1HE LYS 9 15.127 9.656 -0.921 800 1HZ LYS 9 1HZ LYS 9 13.954 8.733 -2.574 801 2HZ LYS 9 2HZ LYS 9 14.597 9.976 -3.523 802 3HZ LYS 9 3HZ LYS 9 13.044 10.128 -2.872 803 H ASN 10 H ASN 10 10.429 10.154 3.737 804 HA ASN 10 HA ASN 10 9.098 12.697 4.370 805 1HB ASN 10 2HB ASN 10 7.714 10.047 3.901 806 2HB ASN 10 1HB ASN 10 6.927 11.521 4.456 807 1HD2 ASN 10 1HD2 ASN 10 7.414 9.658 1.845 808 2HD2 ASN 10 2HD2 ASN 10 7.249 10.834 0.592 809 H ALA 11 H ALA 11 10.997 12.057 6.018 810 HA ALA 11 HA ALA 11 10.513 10.157 8.014 811 1HB ALA 11 1HB ALA 11 11.881 12.206 9.285 812 2HB ALA 11 2HB ALA 11 12.339 12.364 7.590 813 3HB ALA 11 3HB ALA 11 12.592 10.835 8.430 814 H ASP 12 H ASP 12 9.157 10.071 9.670 815 HA ASP 12 HA ASP 12 8.143 12.426 10.983 816 1HB ASP 12 2HB ASP 12 6.241 10.605 9.484 817 2HB ASP 12 1HB ASP 12 5.749 11.842 10.635 818 H MET 13 H MET 13 9.652 10.853 12.288 819 HA MET 13 HA MET 13 8.124 9.718 14.346 820 1HB MET 13 2HB MET 13 7.649 7.959 12.711 821 2HB MET 13 1HB MET 13 9.369 7.709 12.458 822 1HG MET 13 2HG MET 13 9.592 7.009 14.803 823 2HG MET 13 1HG MET 13 7.853 7.210 15.009 824 1HE MET 13 1HE MET 13 6.607 6.326 12.505 825 2HE MET 13 2HE MET 13 5.997 5.366 13.853 826 3HE MET 13 3HE MET 13 6.537 4.569 12.376 827 H SER 14 H SER 14 9.449 8.754 16.031 828 HA SER 14 HA SER 14 11.733 10.124 16.640 829 1HB SER 14 2HB SER 14 10.486 8.772 18.269 830 2HB SER 14 1HB SER 14 11.069 7.297 17.496 831 HG SER 14 HG SER 14 12.221 8.442 19.445 832 H GLU 15 H GLU 15 13.903 9.890 16.371 833 HA GLU 15 HA GLU 15 14.927 8.822 14.046 834 1HB GLU 15 2HB GLU 15 16.389 9.324 16.636 835 2HB GLU 15 1HB GLU 15 17.149 9.109 15.065 836 1HG GLU 15 2HG GLU 15 16.023 11.114 14.243 837 2HG GLU 15 1HG GLU 15 15.263 11.331 15.820 838 H GLU 16 H GLU 16 14.917 7.361 17.265 839 HA GLU 16 HA GLU 16 16.432 5.104 16.638 840 1HB GLU 16 2HB GLU 16 15.431 4.073 18.629 841 2HB GLU 16 1HB GLU 16 15.931 5.730 18.938 842 1HG GLU 16 2HG GLU 16 13.619 6.476 18.687 843 2HG GLU 16 1HG GLU 16 13.118 4.814 18.377 844 H MET 17 H MET 17 12.916 5.575 16.475 845 HA MET 17 HA MET 17 12.334 2.928 15.714 846 1HB MET 17 2HB MET 17 10.771 5.447 15.144 847 2HB MET 17 1HB MET 17 10.155 3.808 14.992 848 1HG MET 17 2HG MET 17 10.477 3.461 17.386 849 2HG MET 17 1HG MET 17 11.090 5.107 17.539 850 1HE MET 17 1HE MET 17 7.925 4.106 19.239 851 2HE MET 17 2HE MET 17 8.125 5.852 19.382 852 3HE MET 17 3HE MET 17 9.535 4.795 19.442 853 H GLN 18 H GLN 18 12.851 5.853 13.774 854 HA GLN 18 HA GLN 18 12.390 4.586 11.296 855 1HB GLN 18 2HB GLN 18 13.568 6.550 10.315 856 2HB GLN 18 1HB GLN 18 12.249 6.962 11.398 857 1HG GLN 18 2HG GLN 18 13.904 7.364 13.188 858 2HG GLN 18 1HG GLN 18 15.188 7.062 12.019 859 1HE2 GLN 18 1HE2 GLN 18 13.156 9.351 13.374 860 2HE2 GLN 18 2HE2 GLN 18 13.457 10.647 12.278 861 H GLN 19 H GLN 19 15.314 4.981 13.239 862 HA GLN 19 HA GLN 19 17.049 4.020 11.186 863 1HB GLN 19 2HB GLN 19 18.756 3.886 12.922 864 2HB GLN 19 1HB GLN 19 17.888 5.413 13.021 865 1HG GLN 19 2HG GLN 19 16.585 4.579 14.872 866 2HG GLN 19 1HG GLN 19 17.381 3.013 14.762 867 1HE2 GLN 19 1HE2 GLN 19 18.891 2.725 16.223 868 2HE2 GLN 19 2HE2 GLN 19 19.901 3.947 16.909 869 H ASP 20 H ASP 20 15.345 2.508 13.885 870 HA ASP 20 HA ASP 20 16.569 -0.046 13.554 871 1HB ASP 20 2HB ASP 20 13.994 0.766 14.917 872 2HB ASP 20 1HB ASP 20 14.653 -0.867 14.957 873 H SER 21 H SER 21 13.680 1.474 12.259 874 HA SER 21 HA SER 21 12.619 -0.872 11.068 875 1HB SER 21 2HB SER 21 12.198 2.035 10.324 876 2HB SER 21 1HB SER 21 11.221 0.685 9.745 877 HG SER 21 HG SER 21 10.313 0.487 11.679 878 H VAL 22 H VAL 22 14.733 1.711 9.910 879 HA VAL 22 HA VAL 22 14.913 0.805 7.238 880 HB VAL 22 HB VAL 22 16.918 2.430 8.812 881 1HG1 VAL 22 1HG1 VAL 22 17.848 1.403 6.770 882 2HG1 VAL 22 2HG1 VAL 22 17.774 3.163 6.674 883 3HG1 VAL 22 3HG1 VAL 22 16.578 2.183 5.825 884 1HG2 VAL 22 1HG2 VAL 22 15.166 3.725 6.831 885 2HG2 VAL 22 2HG2 VAL 22 15.710 4.291 8.410 886 3HG2 VAL 22 3HG2 VAL 22 14.368 3.151 8.297 887 H GLU 23 H GLU 23 16.970 0.290 10.075 888 HA GLU 23 HA GLU 23 18.856 -1.358 8.761 889 1HB GLU 23 2HB GLU 23 19.404 -0.237 10.845 890 2HB GLU 23 1HB GLU 23 18.122 -1.100 11.682 891 1HG GLU 23 2HG GLU 23 20.276 -2.048 12.206 892 2HG GLU 23 1HG GLU 23 19.290 -3.202 11.311 893 H CYS 24 H CYS 24 15.948 -1.980 10.643 894 HA CYS 24 HA CYS 24 16.125 -4.790 10.688 895 1HB CYS 24 2HB CYS 24 14.636 -3.513 12.171 896 2HB CYS 24 1HB CYS 24 13.665 -3.032 10.786 897 HG CYS 24 HG CYS 24 12.716 -5.156 12.182 898 H ALA 25 H ALA 25 14.826 -2.530 8.338 899 HA ALA 25 HA ALA 25 13.485 -4.443 6.730 900 1HB ALA 25 1HB ALA 25 12.691 -2.413 6.141 901 2HB ALA 25 2HB ALA 25 14.026 -2.450 4.989 902 3HB ALA 25 3HB ALA 25 14.205 -1.593 6.520 903 H THR 26 H THR 26 16.720 -3.093 6.812 904 HA THR 26 HA THR 26 17.651 -4.118 4.390 905 HB THR 26 HB THR 26 19.181 -3.581 6.940 906 HG1 THR 26 1HG THR 26 18.003 -1.806 5.900 907 1HG2 THR 26 1HG2 THR 26 20.789 -4.690 5.777 908 2HG2 THR 26 2HG2 THR 26 20.998 -3.069 5.112 909 3HG2 THR 26 3HG2 THR 26 20.093 -4.284 4.207 910 H GLN 27 H GLN 27 17.692 -5.459 7.653 911 HA GLN 27 HA GLN 27 19.060 -7.838 7.079 912 1HB GLN 27 2HB GLN 27 16.941 -7.327 9.177 913 2HB GLN 27 1HB GLN 27 18.037 -8.702 9.154 914 1HG GLN 27 2HG GLN 27 18.830 -5.812 9.431 915 2HG GLN 27 1HG GLN 27 18.770 -7.004 10.729 916 1HE2 GLN 27 1HE2 GLN 27 20.792 -5.426 8.732 917 2HE2 GLN 27 2HE2 GLN 27 22.094 -6.558 8.657 918 H ALA 28 H ALA 28 15.636 -6.997 6.947 919 HA ALA 28 HA ALA 28 14.565 -9.521 6.462 920 1HB ALA 28 1HB ALA 28 13.320 -7.303 4.990 921 2HB ALA 28 2HB ALA 28 13.537 -7.031 6.715 922 3HB ALA 28 3HB ALA 28 12.621 -8.428 6.151 923 H LEU 29 H LEU 29 15.865 -7.129 4.192 924 HA LEU 29 HA LEU 29 15.210 -8.504 1.840 925 1HB LEU 29 2HB LEU 29 17.310 -6.467 2.491 926 2HB LEU 29 1HB LEU 29 17.179 -7.160 0.884 927 HG LEU 29 HG LEU 29 14.882 -5.785 2.252 928 1HD1 LEU 29 1HD1 LEU 29 16.519 -4.090 2.075 929 2HD1 LEU 29 2HD1 LEU 29 15.470 -3.887 0.673 930 3HD1 LEU 29 3HD1 LEU 29 17.044 -4.659 0.490 931 1HD2 LEU 29 1HD2 LEU 29 15.437 -6.534 -0.613 932 2HD2 LEU 29 2HD2 LEU 29 14.048 -5.599 -0.061 933 3HD2 LEU 29 3HD2 LEU 29 14.248 -7.273 0.459 934 H GLU 30 H GLU 30 18.209 -8.488 3.727 935 HA GLU 30 HA GLU 30 19.598 -10.273 2.044 936 1HB GLU 30 2HB GLU 30 21.137 -10.560 3.970 937 2HB GLU 30 1HB GLU 30 20.816 -8.878 3.576 938 1HG GLU 30 2HG GLU 30 19.233 -8.736 5.413 939 2HG GLU 30 1HG GLU 30 19.517 -10.432 5.801 940 H LYS 31 H LYS 31 17.308 -10.816 4.635 941 HA LYS 31 HA LYS 31 17.985 -13.634 4.783 942 1HB LYS 31 2HB LYS 31 16.350 -13.764 6.563 943 2HB LYS 31 1HB LYS 31 17.429 -12.402 6.834 944 1HG LYS 31 2HG LYS 31 15.705 -10.904 5.899 945 2HG LYS 31 1HG LYS 31 14.619 -12.286 5.766 946 1HD LYS 31 2HD LYS 31 15.841 -11.223 8.311 947 2HD LYS 31 1HD LYS 31 14.166 -11.013 7.796 948 1HE LYS 31 2HE LYS 31 13.852 -13.445 7.866 949 2HE LYS 31 1HE LYS 31 15.521 -13.640 8.399 950 1HZ LYS 31 1HZ LYS 31 14.749 -12.021 10.272 951 2HZ LYS 31 2HZ LYS 31 14.411 -13.675 10.381 952 3HZ LYS 31 3HZ LYS 31 13.209 -12.597 9.874 953 H TYR 32 H TYR 32 15.351 -11.617 3.551 954 HA TYR 32 HA TYR 32 14.110 -14.069 2.498 955 1HB TYR 32 2HB TYR 32 12.874 -11.386 3.109 956 2HB TYR 32 1HB TYR 32 12.027 -12.696 2.294 957 HD1 TYR 32 1HD TYR 32 12.478 -15.062 3.686 958 HD2 TYR 32 2HD TYR 32 12.251 -11.135 5.309 959 HE1 TYR 32 1HE TYR 32 11.827 -16.006 5.861 960 HE2 TYR 32 2HE TYR 32 11.602 -12.069 7.490 961 HH TYR 32 HH TYR 32 10.746 -15.384 7.891 962 H ASN 33 H ASN 33 14.920 -10.730 1.616 963 HA ASN 33 HA ASN 33 15.399 -9.777 -0.399 964 1HB ASN 33 2HB ASN 33 15.433 -12.610 -1.478 965 2HB ASN 33 1HB ASN 33 16.086 -11.185 -2.275 966 1HD2 ASN 33 1HD2 ASN 33 18.188 -10.997 -2.139 967 2HD2 ASN 33 2HD2 ASN 33 19.187 -11.574 -0.853 968 H ILE 34 H ILE 34 12.751 -9.957 0.443 969 HA ILE 34 HA ILE 34 11.382 -9.734 -2.109 970 HB ILE 34 HB ILE 34 10.339 -11.558 0.064 971 1HG1 ILE 34 2HG1 ILE 34 11.326 -12.168 -2.732 972 2HG1 ILE 34 1HG1 ILE 34 12.137 -12.600 -1.229 973 1HG2 ILE 34 1HG2 ILE 34 9.144 -10.884 -2.622 974 2HG2 ILE 34 2HG2 ILE 34 8.573 -10.277 -1.069 975 3HG2 ILE 34 3HG2 ILE 34 8.478 -12.000 -1.430 976 1HD1 ILE 34 1HD1 ILE 34 11.127 -14.572 -1.639 977 2HD1 ILE 34 2HD1 ILE 34 9.812 -13.837 -2.555 978 3HD1 ILE 34 3HD1 ILE 34 9.793 -13.788 -0.793 979 H GLU 35 H GLU 35 10.227 -7.932 -2.071 980 HA GLU 35 HA GLU 35 10.056 -6.159 0.005 981 1HB GLU 35 2HB GLU 35 8.156 -5.126 -1.256 982 2HB GLU 35 1HB GLU 35 9.587 -5.452 -2.225 983 1HG GLU 35 2HG GLU 35 8.508 -7.529 -3.033 984 2HG GLU 35 1HG GLU 35 7.052 -7.070 -2.149 985 H LYS 36 H LYS 36 7.577 -8.554 -0.899 986 HA LYS 36 HA LYS 36 5.675 -7.798 1.016 987 1HB LYS 36 2HB LYS 36 5.405 -9.367 -0.982 988 2HB LYS 36 1HB LYS 36 6.079 -10.622 0.042 989 1HG LYS 36 2HG LYS 36 3.618 -9.036 0.739 990 2HG LYS 36 1HG LYS 36 3.587 -10.590 -0.094 991 1HD LYS 36 2HD LYS 36 4.621 -10.033 2.684 992 2HD LYS 36 1HD LYS 36 3.170 -10.930 2.249 993 1HE LYS 36 2HE LYS 36 4.562 -12.616 1.130 994 2HE LYS 36 1HE LYS 36 6.008 -11.725 1.607 995 1HZ LYS 36 1HZ LYS 36 4.335 -13.487 3.162 996 2HZ LYS 36 2HZ LYS 36 4.736 -12.048 3.956 997 3HZ LYS 36 3HZ LYS 36 5.959 -13.064 3.378 998 H ASP 37 H ASP 37 8.198 -10.311 1.176 999 HA ASP 37 HA ASP 37 7.638 -11.271 3.730 1000 1HB ASP 37 2HB ASP 37 10.324 -11.042 2.354 1001 2HB ASP 37 1HB ASP 37 9.991 -12.041 3.766 1002 H ILE 38 H ILE 38 9.669 -8.564 2.724 1003 HA ILE 38 HA ILE 38 10.871 -7.900 5.131 1004 HB ILE 38 HB ILE 38 9.876 -6.001 2.997 1005 1HG1 ILE 38 2HG1 ILE 38 12.648 -7.148 3.287 1006 2HG1 ILE 38 1HG1 ILE 38 11.421 -7.896 2.280 1007 1HG2 ILE 38 1HG2 ILE 38 12.154 -5.567 4.911 1008 2HG2 ILE 38 2HG2 ILE 38 10.517 -4.986 5.215 1009 3HG2 ILE 38 3HG2 ILE 38 11.416 -4.400 3.815 1010 1HD1 ILE 38 1HD1 ILE 38 11.324 -5.373 1.357 1011 2HD1 ILE 38 2HD1 ILE 38 12.361 -6.633 0.685 1012 3HD1 ILE 38 3HD1 ILE 38 13.016 -5.474 1.843 1013 H ALA 39 H ALA 39 7.852 -6.577 3.797 1014 HA ALA 39 HA ALA 39 7.177 -5.031 6.050 1015 1HB ALA 39 1HB ALA 39 5.463 -6.100 3.816 1016 2HB ALA 39 2HB ALA 39 6.255 -4.528 3.893 1017 3HB ALA 39 3HB ALA 39 4.936 -4.905 5.000 1018 H ALA 40 H ALA 40 6.617 -8.394 5.294 1019 HA ALA 40 HA ALA 40 4.455 -8.824 7.060 1020 1HB ALA 40 1HB ALA 40 4.772 -10.429 5.381 1021 2HB ALA 40 2HB ALA 40 5.187 -11.247 6.886 1022 3HB ALA 40 3HB ALA 40 6.464 -10.671 5.816 1023 H HIS 41 H HIS 41 7.825 -9.922 7.453 1024 HA HIS 41 HA HIS 41 7.525 -10.605 10.162 1025 1HB HIS 41 2HB HIS 41 9.650 -11.364 10.002 1026 2HB HIS 41 1HB HIS 41 9.414 -11.077 8.283 1027 HD1 HIS 41 1HD HIS 41 10.855 -9.333 11.322 1028 HD2 HIS 41 2HD HIS 41 11.202 -9.334 7.182 1029 HE1 HIS 41 1HE HIS 41 12.791 -7.818 10.813 1030 HE2 HIS 41 2HE HIS 41 13.090 -7.973 8.322 1031 H ILE 42 H ILE 42 8.866 -7.678 8.646 1032 HA ILE 42 HA ILE 42 9.711 -6.427 11.000 1033 HB ILE 42 HB ILE 42 8.759 -5.161 8.427 1034 1HG1 ILE 42 2HG1 ILE 42 11.543 -5.754 9.434 1035 2HG1 ILE 42 1HG1 ILE 42 10.683 -6.706 8.226 1036 1HG2 ILE 42 1HG2 ILE 42 10.230 -3.978 10.774 1037 2HG2 ILE 42 2HG2 ILE 42 8.657 -3.496 10.140 1038 3HG2 ILE 42 3HG2 ILE 42 10.116 -3.209 9.191 1039 1HD1 ILE 42 1HD1 ILE 42 11.855 -5.403 6.827 1040 2HD1 ILE 42 2HD1 ILE 42 12.004 -4.086 7.991 1041 3HD1 ILE 42 3HD1 ILE 42 10.505 -4.300 7.087 1042 H LYS 43 H LYS 43 6.571 -6.302 9.344 1043 HA LYS 43 HA LYS 43 5.365 -4.361 10.951 1044 1HB LYS 43 2HB LYS 43 4.372 -5.179 8.867 1045 2HB LYS 43 1HB LYS 43 4.105 -6.754 9.598 1046 1HG LYS 43 2HG LYS 43 2.861 -4.251 10.692 1047 2HG LYS 43 1HG LYS 43 2.107 -5.201 9.413 1048 1HD LYS 43 2HD LYS 43 2.291 -7.191 10.974 1049 2HD LYS 43 1HD LYS 43 2.719 -6.043 12.238 1050 1HE LYS 43 2HE LYS 43 0.183 -5.959 10.615 1051 2HE LYS 43 1HE LYS 43 0.323 -6.627 12.241 1052 1HZ LYS 43 1HZ LYS 43 1.284 -3.905 11.873 1053 2HZ LYS 43 2HZ LYS 43 0.433 -4.589 13.167 1054 3HZ LYS 43 3HZ LYS 43 -0.391 -4.126 11.765 1055 H LYS 44 H LYS 44 5.301 -7.912 11.286 1056 HA LYS 44 HA LYS 44 3.827 -7.923 13.687 1057 1HB LYS 44 2HB LYS 44 4.642 -10.249 13.941 1058 2HB LYS 44 1HB LYS 44 3.990 -9.921 12.343 1059 1HG LYS 44 2HG LYS 44 6.238 -9.700 11.451 1060 2HG LYS 44 1HG LYS 44 6.914 -9.982 13.057 1061 1HD LYS 44 2HD LYS 44 6.987 -12.015 11.709 1062 2HD LYS 44 1HD LYS 44 5.900 -12.212 13.085 1063 1HE LYS 44 2HE LYS 44 3.981 -11.781 11.639 1064 2HE LYS 44 1HE LYS 44 5.061 -11.552 10.263 1065 1HZ LYS 44 1HZ LYS 44 4.422 -14.041 11.712 1066 2HZ LYS 44 2HZ LYS 44 5.852 -13.910 10.816 1067 3HZ LYS 44 3HZ LYS 44 4.354 -13.732 10.050 1068 H GLU 45 H GLU 45 7.307 -7.820 13.075 1069 HA GLU 45 HA GLU 45 8.207 -8.262 15.678 1070 1HB GLU 45 2HB GLU 45 9.701 -8.223 13.738 1071 2HB GLU 45 1HB GLU 45 9.417 -6.500 13.536 1072 1HG GLU 45 2HG GLU 45 10.457 -6.073 15.704 1073 2HG GLU 45 1HG GLU 45 10.741 -7.801 15.904 1074 H PHE 46 H PHE 46 7.573 -5.136 14.064 1075 HA PHE 46 HA PHE 46 8.003 -3.620 16.434 1076 1HB PHE 46 2HB PHE 46 6.729 -2.948 13.786 1077 2HB PHE 46 1HB PHE 46 6.847 -1.781 15.097 1078 HD1 PHE 46 1HD PHE 46 9.100 -4.200 13.335 1079 HD2 PHE 46 2HD PHE 46 8.584 -0.311 14.974 1080 HE1 PHE 46 1HE PHE 46 11.362 -3.588 12.588 1081 HE2 PHE 46 2HE PHE 46 10.842 0.311 14.230 1082 HZ PHE 46 HZ PHE 46 12.238 -1.327 13.033 1083 H ASP 47 H ASP 47 5.126 -4.829 14.787 1084 HA ASP 47 HA ASP 47 3.150 -3.608 16.291 1085 1HB ASP 47 2HB ASP 47 2.757 -4.927 14.238 1086 2HB ASP 47 1HB ASP 47 3.135 -6.400 15.126 1087 H LYS 48 H LYS 48 4.949 -6.573 16.919 1088 HA LYS 48 HA LYS 48 3.514 -7.217 19.305 1089 1HB LYS 48 2HB LYS 48 4.469 -8.989 17.996 1090 2HB LYS 48 1HB LYS 48 6.070 -8.271 18.101 1091 1HG LYS 48 2HG LYS 48 5.886 -10.180 19.567 1092 2HG LYS 48 1HG LYS 48 6.107 -8.699 20.500 1093 1HD LYS 48 2HD LYS 48 4.414 -10.124 21.527 1094 2HD LYS 48 1HD LYS 48 3.698 -8.620 20.941 1095 1HE LYS 48 2HE LYS 48 2.287 -10.538 20.406 1096 2HE LYS 48 1HE LYS 48 2.901 -9.770 18.942 1097 1HZ LYS 48 1HZ LYS 48 4.110 -11.570 18.402 1098 2HZ LYS 48 2HZ LYS 48 3.007 -12.389 19.387 1099 3HZ LYS 48 3HZ LYS 48 4.516 -11.937 20.003 1100 H LYS 49 H LYS 49 6.740 -5.920 18.629 1101 HA LYS 49 HA LYS 49 7.485 -5.679 21.370 1102 1HB LYS 49 2HB LYS 49 8.633 -4.382 18.900 1103 2HB LYS 49 1HB LYS 49 9.380 -4.344 20.487 1104 1HG LYS 49 2HG LYS 49 8.857 -6.802 18.836 1105 2HG LYS 49 1HG LYS 49 10.415 -6.003 19.059 1106 1HD LYS 49 2HD LYS 49 10.166 -6.399 21.512 1107 2HD LYS 49 1HD LYS 49 8.741 -7.375 21.147 1108 1HE LYS 49 2HE LYS 49 10.619 -8.845 21.379 1109 2HE LYS 49 1HE LYS 49 10.162 -8.783 19.678 1110 1HZ LYS 49 1HZ LYS 49 11.958 -7.245 19.268 1111 2HZ LYS 49 2HZ LYS 49 12.562 -8.655 19.981 1112 3HZ LYS 49 3HZ LYS 49 12.387 -7.250 20.905 1113 H TYR 50 H TYR 50 6.960 -3.202 18.925 1114 HA TYR 50 HA TYR 50 6.740 -1.119 20.867 1115 1HB TYR 50 2HB TYR 50 6.251 -1.070 17.884 1116 2HB TYR 50 1HB TYR 50 6.388 0.347 18.924 1117 HD1 TYR 50 1HD TYR 50 8.322 -2.761 18.151 1118 HD2 TYR 50 2HD TYR 50 8.446 1.407 18.977 1119 HE1 TYR 50 1HE TYR 50 10.755 -2.803 17.883 1120 HE2 TYR 50 2HE TYR 50 10.889 1.389 18.693 1121 HH TYR 50 HH TYR 50 12.699 -1.518 18.504 1122 H ASN 51 H ASN 51 4.530 -3.304 19.506 1123 HA ASN 51 HA ASN 51 2.348 -3.633 20.212 1124 1HB ASN 51 2HB ASN 51 2.211 -0.680 20.860 1125 2HB ASN 51 1HB ASN 51 1.007 -1.900 21.246 1126 1HD2 ASN 51 1HD2 ASN 51 3.383 -0.104 22.529 1127 2HD2 ASN 51 2HD2 ASN 51 3.852 -1.114 23.850 1128 HA PRO 52 HA PRO 52 0.704 -2.811 16.239 1129 1HB PRO 52 2HB PRO 52 -1.966 -3.251 16.742 1130 2HB PRO 52 1HB PRO 52 -0.780 -4.537 16.510 1131 1HG PRO 52 2HG PRO 52 -1.868 -3.401 19.054 1132 2HG PRO 52 1HG PRO 52 -1.560 -5.096 18.624 1133 1HD PRO 52 2HD PRO 52 0.131 -3.709 20.181 1134 2HD PRO 52 1HD PRO 52 0.716 -4.912 19.013 1135 H THR 53 H THR 53 -1.374 0.091 15.810 1136 HA THR 53 HA THR 53 -0.535 -2.580 14.911 1137 HB THR 53 HB THR 53 -2.972 -2.217 14.863 1138 HG1 THR 53 1HG THR 53 -1.820 -3.461 13.205 1139 1HG2 THR 53 1HG2 THR 53 -3.933 -0.714 13.166 1140 2HG2 THR 53 2HG2 THR 53 -2.336 -0.009 12.928 1141 3HG2 THR 53 3HG2 THR 53 -3.141 0.141 14.488 1142 H TRP 54 H TRP 54 1.014 -2.664 13.417 1143 HA TRP 54 HA TRP 54 1.846 -0.152 12.181 1144 1HB TRP 54 2HB TRP 54 3.290 -2.786 12.441 1145 2HB TRP 54 1HB TRP 54 3.950 -1.348 11.662 1146 HD1 TRP 54 HD TRP 54 2.403 -2.163 15.132 1147 HE1 TRP 54 1HE TRP 54 3.793 -0.942 16.916 1148 HE3 TRP 54 3HE TRP 54 5.733 0.209 12.066 1149 HZ2 TRP 54 2HZ TRP 54 6.009 0.810 17.009 1150 HZ3 TRP 54 3HZ TRP 54 7.453 1.648 13.084 1151 HH2 TRP 54 HH TRP 54 7.586 1.942 15.504 1152 H HIS 55 H HIS 55 1.697 0.264 10.110 1153 HA HIS 55 HA HIS 55 0.791 -1.885 8.311 1154 1HB HIS 55 2HB HIS 55 0.484 1.065 7.773 1155 2HB HIS 55 1HB HIS 55 -0.437 -0.278 7.098 1156 HD1 HIS 55 1HD HIS 55 -1.683 -1.680 9.316 1157 HD2 HIS 55 2HD HIS 55 -1.043 2.416 9.532 1158 HE1 HIS 55 1HE HIS 55 -3.300 -0.841 11.041 1159 HE2 HIS 55 2HE HIS 55 -2.973 1.657 11.076 1160 H CYS 56 H CYS 56 2.069 -2.363 6.546 1161 HA CYS 56 HA CYS 56 4.269 -0.492 5.965 1162 1HB CYS 56 2HB CYS 56 5.140 -2.265 7.409 1163 2HB CYS 56 1HB CYS 56 4.560 -3.483 6.278 1164 HG CYS 56 HG CYS 56 7.075 -1.757 5.928 1165 H ILE 57 H ILE 57 5.209 -0.622 3.914 1166 HA ILE 57 HA ILE 57 3.949 -2.261 1.870 1167 HB ILE 57 HB ILE 57 3.952 0.758 1.680 1168 1HG1 ILE 57 2HG1 ILE 57 1.653 -1.189 1.954 1169 2HG1 ILE 57 1HG1 ILE 57 2.204 -0.066 3.191 1170 1HG2 ILE 57 1HG2 ILE 57 4.371 -0.464 -0.449 1171 2HG2 ILE 57 2HG2 ILE 57 2.887 0.488 -0.451 1172 3HG2 ILE 57 3HG2 ILE 57 2.812 -1.261 -0.245 1173 1HD1 ILE 57 1HD1 ILE 57 1.676 1.781 1.547 1174 2HD1 ILE 57 2HD1 ILE 57 0.303 0.910 2.231 1175 3HD1 ILE 57 3HD1 ILE 57 0.845 0.551 0.592 1176 H VAL 58 H VAL 58 5.278 -2.583 0.089 1177 HA VAL 58 HA VAL 58 7.687 -1.014 -0.256 1178 HB VAL 58 HB VAL 58 7.913 -3.958 0.393 1179 1HG1 VAL 58 1HG1 VAL 58 10.070 -1.916 -0.126 1180 2HG1 VAL 58 2HG1 VAL 58 9.539 -3.148 -1.270 1181 3HG1 VAL 58 3HG1 VAL 58 10.305 -3.624 0.245 1182 1HG2 VAL 58 1HG2 VAL 58 7.469 -2.784 2.424 1183 2HG2 VAL 58 2HG2 VAL 58 8.623 -1.517 2.008 1184 3HG2 VAL 58 3HG2 VAL 58 9.195 -3.143 2.380 1185 H GLY 59 H GLY 59 8.381 -1.024 -2.315 1186 1HA GLY 59 2HA GLY 59 8.132 -3.123 -4.157 1187 2HA GLY 59 1HA GLY 59 6.752 -2.052 -4.360 1188 H ARG 60 H ARG 60 7.125 -0.921 -6.166 1189 HA ARG 60 HA ARG 60 9.074 1.098 -6.248 1190 1HB ARG 60 2HB ARG 60 10.531 0.256 -8.051 1191 2HB ARG 60 1HB ARG 60 10.676 -0.695 -6.579 1192 1HG ARG 60 2HG ARG 60 9.247 -2.417 -7.529 1193 2HG ARG 60 1HG ARG 60 9.051 -1.459 -8.996 1194 1HD ARG 60 2HD ARG 60 11.445 -1.607 -9.430 1195 2HD ARG 60 1HD ARG 60 11.668 -2.533 -7.944 1196 HE ARG 60 HE ARG 60 10.861 -3.548 -10.456 1197 1HH1 ARG 60 1HH1 ARG 60 10.295 -3.937 -7.034 1198 2HH1 ARG 60 2HH1 ARG 60 9.760 -5.576 -7.182 1199 1HH2 ARG 60 1HH2 ARG 60 10.160 -5.704 -10.653 1200 2HH2 ARG 60 2HH2 ARG 60 9.684 -6.580 -9.236 1201 H ASN 61 H ASN 61 6.297 0.764 -6.782 1202 HA ASN 61 HA ASN 61 5.812 2.445 -8.858 1203 1HB ASN 61 2HB ASN 61 6.802 0.787 -10.388 1204 2HB ASN 61 1HB ASN 61 5.647 -0.419 -9.840 1205 1HD2 ASN 61 1HD2 ASN 61 4.287 2.694 -10.056 1206 2HD2 ASN 61 2HD2 ASN 61 3.510 2.497 -11.581 1207 H PHE 62 H PHE 62 4.323 2.881 -7.078 1208 HA PHE 62 HA PHE 62 1.720 1.890 -7.587 1209 1HB PHE 62 2HB PHE 62 1.320 0.634 -5.549 1210 2HB PHE 62 1HB PHE 62 2.643 -0.091 -6.455 1211 HD1 PHE 62 1HD PHE 62 1.974 2.265 -3.655 1212 HD2 PHE 62 2HD PHE 62 4.652 -0.549 -5.391 1213 HE1 PHE 62 1HE PHE 62 3.410 2.410 -1.663 1214 HE2 PHE 62 2HE PHE 62 6.091 -0.411 -3.400 1215 HZ PHE 62 HZ PHE 62 5.471 1.068 -1.533 1216 H GLY 63 H GLY 63 0.151 3.093 -6.672 1217 1HA GLY 63 2HA GLY 63 1.038 5.320 -4.942 1218 2HA GLY 63 1HA GLY 63 -0.356 5.375 -6.017 1219 H SER 64 H SER 64 0.010 5.715 -2.961 1220 HA SER 64 HA SER 64 -2.376 4.200 -2.318 1221 1HB SER 64 2HB SER 64 -1.347 3.075 -0.354 1222 2HB SER 64 1HB SER 64 -0.709 2.510 -1.899 1223 HG SER 64 HG SER 64 0.719 3.280 0.060 1224 H TYR 65 H TYR 65 -3.373 4.705 -0.383 1225 HA TYR 65 HA TYR 65 -2.429 7.111 1.019 1226 1HB TYR 65 2HB TYR 65 -5.156 6.525 -0.104 1227 2HB TYR 65 1HB TYR 65 -4.976 7.578 1.293 1228 HD1 TYR 65 1HD TYR 65 -2.989 9.395 0.915 1229 HD2 TYR 65 2HD TYR 65 -5.346 7.594 -2.133 1230 HE1 TYR 65 1HE TYR 65 -2.533 11.307 -0.556 1231 HE2 TYR 65 2HE TYR 65 -4.894 9.501 -3.616 1232 HH TYR 65 HH TYR 65 -2.810 11.325 -3.689 1233 H VAL 66 H VAL 66 -2.788 7.131 3.244 1234 HA VAL 66 HA VAL 66 -4.325 5.023 4.512 1235 HB VAL 66 HB VAL 66 -1.358 5.206 5.032 1236 1HG1 VAL 66 1HG1 VAL 66 -2.297 4.449 7.006 1237 2HG1 VAL 66 2HG1 VAL 66 -1.917 2.946 6.168 1238 3HG1 VAL 66 3HG1 VAL 66 -3.571 3.553 6.178 1239 1HG2 VAL 66 1HG2 VAL 66 -1.267 2.931 3.994 1240 2HG2 VAL 66 2HG2 VAL 66 -1.628 4.234 2.863 1241 3HG2 VAL 66 3HG2 VAL 66 -2.920 3.181 3.437 1242 H THR 67 H THR 67 -4.323 5.253 6.896 1243 HA THR 67 HA THR 67 -3.852 8.059 7.715 1244 HB THR 67 HB THR 67 -5.888 6.016 8.672 1245 HG1 THR 67 1HG THR 67 -6.779 6.915 6.961 1246 1HG2 THR 67 1HG2 THR 67 -6.613 7.357 10.349 1247 2HG2 THR 67 2HG2 THR 67 -6.013 8.829 9.590 1248 3HG2 THR 67 3HG2 THR 67 -4.893 7.737 10.402 1249 H HIS 68 H HIS 68 -2.756 8.440 9.644 1250 HA HIS 68 HA HIS 68 -1.986 6.233 11.359 1251 1HB HIS 68 2HB HIS 68 0.448 6.630 10.991 1252 2HB HIS 68 1HB HIS 68 -0.373 5.986 9.568 1253 HD1 HIS 68 1HD HIS 68 1.059 9.204 10.917 1254 HD2 HIS 68 2HD HIS 68 -0.348 7.617 7.346 1255 HE1 HIS 68 1HE HIS 68 1.593 10.920 9.164 1256 HE2 HIS 68 2HE HIS 68 0.630 9.989 7.033 1257 H GLU 69 H GLU 69 -1.574 6.878 13.369 1258 HA GLU 69 HA GLU 69 -2.182 9.426 14.287 1259 1HB GLU 69 2HB GLU 69 -2.242 7.454 15.711 1260 2HB GLU 69 1HB GLU 69 -0.500 7.267 15.568 1261 1HG GLU 69 2HG GLU 69 -1.107 8.216 17.706 1262 2HG GLU 69 1HG GLU 69 -0.165 9.362 16.752 1263 H THR 70 H THR 70 -0.968 11.193 14.944 1264 HA THR 70 HA THR 70 1.237 11.930 13.447 1265 HB THR 70 HB THR 70 1.628 13.663 15.249 1266 HG1 THR 70 1HG THR 70 0.692 12.275 16.921 1267 1HG2 THR 70 1HG2 THR 70 -0.566 13.421 13.469 1268 2HG2 THR 70 2HG2 THR 70 0.225 14.879 14.072 1269 3HG2 THR 70 3HG2 THR 70 -1.127 14.175 14.962 1270 H LYS 71 H LYS 71 3.433 12.076 13.823 1271 HA LYS 71 HA LYS 71 5.479 11.416 14.541 1272 1HB LYS 71 2HB LYS 71 4.062 10.959 17.170 1273 2HB LYS 71 1HB LYS 71 5.806 11.003 16.946 1274 1HG LYS 71 2HG LYS 71 3.873 13.274 16.533 1275 2HG LYS 71 1HG LYS 71 5.074 13.113 17.818 1276 1HD LYS 71 2HD LYS 71 6.873 13.276 16.226 1277 2HD LYS 71 1HD LYS 71 5.734 13.257 14.879 1278 1HE LYS 71 2HE LYS 71 5.966 15.399 16.984 1279 2HE LYS 71 1HE LYS 71 6.524 15.511 15.315 1280 1HZ LYS 71 1HZ LYS 71 3.775 15.530 16.356 1281 2HZ LYS 71 2HZ LYS 71 4.060 14.965 14.788 1282 3HZ LYS 71 3HZ LYS 71 4.495 16.545 15.209 1283 H HIS 72 H HIS 72 3.816 9.613 13.227 1284 HA HIS 72 HA HIS 72 5.173 7.161 13.855 1285 1HB HIS 72 2HB HIS 72 2.153 7.272 14.033 1286 2HB HIS 72 1HB HIS 72 3.106 5.793 14.004 1287 HD1 HIS 72 1HD HIS 72 2.627 8.869 16.175 1288 HD2 HIS 72 2HD HIS 72 3.952 4.945 16.442 1289 HE1 HIS 72 1HE HIS 72 3.025 8.462 18.624 1290 HE2 HIS 72 2HE HIS 72 3.704 6.040 18.772 1291 H PHE 73 H PHE 73 5.892 8.108 11.757 1292 HA PHE 73 HA PHE 73 4.706 6.659 9.605 1293 1HB PHE 73 2HB PHE 73 3.179 8.512 9.511 1294 2HB PHE 73 1HB PHE 73 4.499 9.670 9.629 1295 HD1 PHE 73 1HD PHE 73 3.635 6.754 7.455 1296 HD2 PHE 73 2HD PHE 73 4.952 10.793 7.695 1297 HE1 PHE 73 1HE PHE 73 3.776 6.850 5.002 1298 HE2 PHE 73 2HE PHE 73 5.094 10.897 5.242 1299 HZ PHE 73 HZ PHE 73 4.506 8.923 3.892 1300 H ILE 74 H ILE 74 6.180 6.259 8.005 1301 HA ILE 74 HA ILE 74 8.486 7.958 7.670 1302 HB ILE 74 HB ILE 74 9.184 6.663 9.613 1303 1HG1 ILE 74 2HG1 ILE 74 10.594 5.809 7.073 1304 2HG1 ILE 74 1HG1 ILE 74 10.882 7.303 7.960 1305 1HG2 ILE 74 1HG2 ILE 74 7.851 4.698 9.405 1306 2HG2 ILE 74 2HG2 ILE 74 9.543 4.202 9.359 1307 3HG2 ILE 74 3HG2 ILE 74 8.605 4.279 7.868 1308 1HD1 ILE 74 1HD1 ILE 74 11.636 4.510 8.662 1309 2HD1 ILE 74 2HD1 ILE 74 11.411 5.704 9.937 1310 3HD1 ILE 74 3HD1 ILE 74 12.612 5.979 8.675 1311 H TYR 75 H TYR 75 9.334 7.806 5.702 1312 HA TYR 75 HA TYR 75 8.794 5.456 4.035 1313 1HB TYR 75 2HB TYR 75 7.061 7.163 3.520 1314 2HB TYR 75 1HB TYR 75 8.334 8.320 3.148 1315 HD1 TYR 75 1HD TYR 75 10.087 7.418 1.326 1316 HD2 TYR 75 2HD TYR 75 6.077 6.059 1.760 1317 HE1 TYR 75 1HE TYR 75 10.106 6.633 -1.002 1318 HE2 TYR 75 2HE TYR 75 6.087 5.271 -0.569 1319 HH TYR 75 HH TYR 75 7.825 6.177 -2.810 1320 H PHE 76 H PHE 76 10.555 4.880 2.818 1321 HA PHE 76 HA PHE 76 12.561 6.765 2.051 1322 1HB PHE 76 2HB PHE 76 14.389 5.878 3.418 1323 2HB PHE 76 1HB PHE 76 13.114 6.538 4.432 1324 HD1 PHE 76 1HD PHE 76 14.263 3.310 2.963 1325 HD2 PHE 76 2HD PHE 76 12.331 5.285 6.202 1326 HE1 PHE 76 1HE PHE 76 14.149 1.182 4.190 1327 HE2 PHE 76 2HE PHE 76 12.218 3.156 7.433 1328 HZ PHE 76 HZ PHE 76 13.127 1.103 6.428 1329 H TYR 77 H TYR 77 13.953 5.990 0.525 1330 HA TYR 77 HA TYR 77 13.245 3.507 -0.740 1331 1HB TYR 77 2HB TYR 77 15.365 5.574 -1.359 1332 2HB TYR 77 1HB TYR 77 15.101 4.133 -2.333 1333 HD1 TYR 77 1HD TYR 77 13.016 6.890 -0.875 1334 HD2 TYR 77 2HD TYR 77 13.880 4.447 -4.250 1335 HE1 TYR 77 1HE TYR 77 11.296 8.078 -2.169 1336 HE2 TYR 77 2HE TYR 77 12.164 5.631 -5.552 1337 HH TYR 77 HH TYR 77 11.071 8.309 -5.152 1338 H LEU 78 H LEU 78 14.542 1.679 -0.961 1339 HA LEU 78 HA LEU 78 17.153 1.464 0.136 1340 1HB LEU 78 2HB LEU 78 15.908 1.543 2.239 1341 2HB LEU 78 1HB LEU 78 14.899 0.215 1.705 1342 HG LEU 78 HG LEU 78 16.779 -1.308 1.761 1343 1HD1 LEU 78 1HD1 LEU 78 18.801 -0.460 1.359 1344 2HD1 LEU 78 2HD1 LEU 78 18.826 0.005 3.060 1345 3HD1 LEU 78 3HD1 LEU 78 18.303 1.164 1.836 1346 1HD2 LEU 78 1HD2 LEU 78 17.209 -0.013 4.359 1347 2HD2 LEU 78 2HD2 LEU 78 16.642 -1.639 3.977 1348 3HD2 LEU 78 3HD2 LEU 78 15.519 -0.280 3.934 1349 H GLY 79 H GLY 79 18.175 -0.392 -0.528 1350 1HA GLY 79 2HA GLY 79 18.518 -2.237 -1.862 1351 2HA GLY 79 1HA GLY 79 17.013 -2.832 -1.174 1352 H GLN 80 H GLN 80 17.673 -0.074 -3.293 1353 HA GLN 80 HA GLN 80 16.640 0.632 -5.188 1354 1HB GLN 80 2HB GLN 80 16.709 -0.941 -7.058 1355 2HB GLN 80 1HB GLN 80 18.197 -0.995 -6.128 1356 1HG GLN 80 2HG GLN 80 17.507 -3.047 -5.068 1357 2HG GLN 80 1HG GLN 80 15.944 -2.975 -5.880 1358 1HE2 GLN 80 1HE2 GLN 80 15.797 -4.302 -7.526 1359 2HE2 GLN 80 2HE2 GLN 80 17.079 -4.773 -8.582 1360 H VAL 81 H VAL 81 14.842 0.080 -3.136 1361 HA VAL 81 HA VAL 81 12.416 -0.234 -4.654 1362 HB VAL 81 HB VAL 81 11.452 -2.015 -3.264 1363 1HG1 VAL 81 1HG1 VAL 81 14.019 -2.986 -4.497 1364 2HG1 VAL 81 2HG1 VAL 81 12.616 -2.486 -5.440 1365 3HG1 VAL 81 3HG1 VAL 81 12.494 -3.858 -4.338 1366 1HG2 VAL 81 1HG2 VAL 81 14.229 -2.450 -2.181 1367 2HG2 VAL 81 2HG2 VAL 81 12.761 -3.327 -1.753 1368 3HG2 VAL 81 3HG2 VAL 81 12.940 -1.633 -1.297 1369 H ALA 82 H ALA 82 10.764 0.895 -3.748 1370 HA ALA 82 HA ALA 82 11.344 2.651 -1.591 1371 1HB ALA 82 1HB ALA 82 8.864 2.094 -3.189 1372 2HB ALA 82 2HB ALA 82 9.912 3.511 -3.235 1373 3HB ALA 82 3HB ALA 82 8.870 3.230 -1.840 1374 H ILE 83 H ILE 83 10.733 2.607 0.519 1375 HA ILE 83 HA ILE 83 9.153 0.289 1.415 1376 HB ILE 83 HB ILE 83 11.577 1.437 2.807 1377 1HG1 ILE 83 2HG1 ILE 83 11.118 -1.219 1.431 1378 2HG1 ILE 83 1HG1 ILE 83 12.178 0.072 0.877 1379 1HG2 ILE 83 1HG2 ILE 83 11.265 -0.338 4.443 1380 2HG2 ILE 83 2HG2 ILE 83 9.813 -0.878 3.600 1381 3HG2 ILE 83 3HG2 ILE 83 9.843 0.704 4.380 1382 1HD1 ILE 83 1HD1 ILE 83 13.467 -0.238 3.019 1383 2HD1 ILE 83 2HD1 ILE 83 13.559 -1.561 1.855 1384 3HD1 ILE 83 3HD1 ILE 83 12.517 -1.703 3.271 1385 H LEU 84 H LEU 84 7.638 0.658 2.957 1386 HA LEU 84 HA LEU 84 7.493 3.330 4.161 1387 1HB LEU 84 2HB LEU 84 6.046 3.343 2.193 1388 2HB LEU 84 1HB LEU 84 5.225 1.905 2.768 1389 HG LEU 84 HG LEU 84 4.370 3.171 4.702 1390 1HD1 LEU 84 1HD1 LEU 84 6.395 4.977 4.046 1391 2HD1 LEU 84 2HD1 LEU 84 5.166 5.155 5.299 1392 3HD1 LEU 84 3HD1 LEU 84 4.886 5.817 3.687 1393 1HD2 LEU 84 1HD2 LEU 84 3.773 3.859 1.892 1394 2HD2 LEU 84 2HD2 LEU 84 3.099 4.926 3.124 1395 3HD2 LEU 84 3HD2 LEU 84 2.725 3.203 3.150 1396 H LEU 85 H LEU 85 6.625 3.409 6.202 1397 HA LEU 85 HA LEU 85 5.302 1.121 7.358 1398 1HB LEU 85 2HB LEU 85 7.645 0.448 7.536 1399 2HB LEU 85 1HB LEU 85 8.032 1.957 8.340 1400 HG LEU 85 HG LEU 85 6.590 1.303 10.235 1401 1HD1 LEU 85 1HD1 LEU 85 6.434 -1.509 9.569 1402 2HD1 LEU 85 2HD1 LEU 85 5.512 -0.513 8.442 1403 3HD1 LEU 85 3HD1 LEU 85 5.186 -0.420 10.174 1404 1HD2 LEU 85 1HD2 LEU 85 8.604 -0.843 9.606 1405 2HD2 LEU 85 2HD2 LEU 85 8.103 -0.263 11.194 1406 3HD2 LEU 85 3HD2 LEU 85 9.040 0.783 10.128 1407 H PHE 86 H PHE 86 4.177 1.611 9.221 1408 HA PHE 86 HA PHE 86 4.584 3.809 10.883 1409 1HB PHE 86 2HB PHE 86 2.755 5.313 10.122 1410 2HB PHE 86 1HB PHE 86 4.095 5.217 8.990 1411 HD1 PHE 86 1HD PHE 86 0.748 3.703 9.632 1412 HD2 PHE 86 2HD PHE 86 3.671 4.872 6.770 1413 HE1 PHE 86 1HE PHE 86 -0.810 3.140 7.812 1414 HE2 PHE 86 2HE PHE 86 2.116 4.313 4.949 1415 HZ PHE 86 HZ PHE 86 -0.127 3.447 5.471 1416 H LYS 87 H LYS 87 3.365 3.592 12.681 1417 HA LYS 87 HA LYS 87 1.317 1.515 12.615 1418 1HB LYS 87 2HB LYS 87 1.553 1.338 14.994 1419 2HB LYS 87 1HB LYS 87 3.153 1.323 14.275 1420 1HG LYS 87 2HG LYS 87 3.539 3.594 14.932 1421 2HG LYS 87 1HG LYS 87 1.874 3.759 15.490 1422 1HD LYS 87 2HD LYS 87 3.932 1.875 16.641 1423 2HD LYS 87 1HD LYS 87 3.436 3.408 17.357 1424 1HE LYS 87 2HE LYS 87 1.134 2.550 17.532 1425 2HE LYS 87 1HE LYS 87 1.677 1.005 16.878 1426 1HZ LYS 87 1HZ LYS 87 1.719 0.652 19.142 1427 2HZ LYS 87 2HZ LYS 87 2.266 2.212 19.499 1428 3HZ LYS 87 3HZ LYS 87 3.329 1.076 18.833 1429 H SER 88 H SER 88 -0.515 1.840 14.229 1430 HA SER 88 HA SER 88 -1.417 4.601 14.437 1431 1HB SER 88 2HB SER 88 -2.989 2.488 12.941 1432 2HB SER 88 1HB SER 88 -3.580 4.100 13.347 1433 HG SER 88 HG SER 88 -1.372 3.476 11.674 1434 H GLY 89 H GLY 89 -2.656 4.945 16.182 1435 1HA GLY 89 2HA GLY 89 -4.361 3.080 17.410 1436 2HA GLY 89 1HA GLY 89 -2.802 3.019 18.221 1437 1H MET 1 1HT MET 1 -10.822 -8.131 14.109 1438 2H MET 1 2HT MET 1 -10.556 -9.705 13.479 1439 3H MET 1 3HT MET 1 -11.109 -8.448 12.451 1440 HA MET 1 HA MET 1 -9.111 -7.327 12.545 1441 1HB MET 1 2HB MET 1 -8.852 -7.743 15.009 1442 2HB MET 1 1HB MET 1 -8.245 -9.346 14.627 1443 1HG MET 1 2HG MET 1 -6.965 -6.815 13.634 1444 2HG MET 1 1HG MET 1 -6.512 -7.609 15.139 1445 1HE MET 1 1HE MET 1 -6.346 -10.101 15.178 1446 2HE MET 1 2HE MET 1 -4.845 -10.664 14.441 1447 3HE MET 1 3HE MET 1 -6.397 -11.093 13.720 1448 H LYS 2 H LYS 2 -7.789 -7.779 10.889 1449 HA LYS 2 HA LYS 2 -6.804 -10.430 10.384 1450 1HB LYS 2 2HB LYS 2 -8.793 -9.161 8.501 1451 2HB LYS 2 1HB LYS 2 -7.754 -10.507 8.056 1452 1HG LYS 2 2HG LYS 2 -9.821 -10.532 10.245 1453 2HG LYS 2 1HG LYS 2 -10.001 -11.244 8.643 1454 1HD LYS 2 2HD LYS 2 -8.142 -12.760 9.096 1455 2HD LYS 2 1HD LYS 2 -7.930 -12.036 10.691 1456 1HE LYS 2 2HE LYS 2 -9.168 -14.131 10.836 1457 2HE LYS 2 1HE LYS 2 -10.172 -12.767 11.327 1458 1HZ LYS 2 1HZ LYS 2 -10.246 -13.769 8.553 1459 2HZ LYS 2 2HZ LYS 2 -11.417 -12.886 9.394 1460 3HZ LYS 2 3HZ LYS 2 -11.163 -14.517 9.762 1461 H ASP 3 H ASP 3 -4.944 -10.414 9.317 1462 HA ASP 3 HA ASP 3 -3.879 -7.814 8.591 1463 1HB ASP 3 2HB ASP 3 -1.700 -9.029 8.511 1464 2HB ASP 3 1HB ASP 3 -2.516 -9.125 10.071 1465 H THR 4 H THR 4 -3.988 -7.132 6.566 1466 HA THR 4 HA THR 4 -4.482 -8.832 4.345 1467 HB THR 4 HB THR 4 -3.633 -5.955 4.530 1468 HG1 THR 4 1HG THR 4 -5.789 -5.560 4.027 1469 1HG2 THR 4 1HG2 THR 4 -4.930 -6.375 2.092 1470 2HG2 THR 4 2HG2 THR 4 -3.684 -7.617 2.210 1471 3HG2 THR 4 3HG2 THR 4 -3.250 -5.914 2.357 1472 H GLY 5 H GLY 5 -3.066 -9.618 2.821 1473 1HA GLY 5 2HA GLY 5 -0.271 -8.812 2.913 1474 2HA GLY 5 1HA GLY 5 -0.600 -10.482 3.350 1475 H ILE 6 H ILE 6 0.393 -8.618 0.893 1476 HA ILE 6 HA ILE 6 -0.123 -10.664 -1.046 1477 HB ILE 6 HB ILE 6 -1.160 -9.030 -2.696 1478 1HG1 ILE 6 2HG1 ILE 6 -2.614 -7.286 -1.499 1479 2HG1 ILE 6 1HG1 ILE 6 -1.536 -7.504 -0.124 1480 1HG2 ILE 6 1HG2 ILE 6 -3.271 -9.778 -2.188 1481 2HG2 ILE 6 2HG2 ILE 6 -3.055 -9.539 -0.452 1482 3HG2 ILE 6 3HG2 ILE 6 -2.280 -10.904 -1.260 1483 1HD1 ILE 6 1HD1 ILE 6 0.008 -7.062 -2.481 1484 2HD1 ILE 6 2HD1 ILE 6 -0.083 -6.099 -1.008 1485 3HD1 ILE 6 3HD1 ILE 6 -1.218 -5.805 -2.327 1486 H GLN 7 H GLN 7 1.330 -10.693 -2.651 1487 HA GLN 7 HA GLN 7 3.331 -8.537 -2.683 1488 1HB GLN 7 2HB GLN 7 4.863 -10.262 -3.635 1489 2HB GLN 7 1HB GLN 7 4.308 -10.629 -2.009 1490 1HG GLN 7 2HG GLN 7 2.656 -12.182 -2.932 1491 2HG GLN 7 1HG GLN 7 3.241 -11.830 -4.556 1492 1HE2 GLN 7 1HE2 GLN 7 3.389 -14.011 -2.154 1493 2HE2 GLN 7 2HE2 GLN 7 4.933 -14.717 -2.473 1494 H VAL 8 H VAL 8 1.801 -7.390 -4.115 1495 HA VAL 8 HA VAL 8 1.145 -8.414 -6.676 1496 HB VAL 8 HB VAL 8 1.279 -5.518 -5.835 1497 1HG1 VAL 8 1HG1 VAL 8 0.307 -4.961 -7.775 1498 2HG1 VAL 8 2HG1 VAL 8 -0.741 -6.379 -7.771 1499 3HG1 VAL 8 3HG1 VAL 8 0.922 -6.513 -8.343 1500 1HG2 VAL 8 1HG2 VAL 8 -0.873 -7.585 -5.500 1501 2HG2 VAL 8 2HG2 VAL 8 -1.213 -5.855 -5.484 1502 3HG2 VAL 8 3HG2 VAL 8 -0.138 -6.553 -4.275 1503 H ASP 9 H ASP 9 2.134 -8.272 -8.594 1504 HA ASP 9 HA ASP 9 4.330 -6.500 -9.105 1505 1HB ASP 9 1HB ASP 9 5.570 -8.185 -7.893 1506 2HB ASP 9 2HB ASP 9 5.964 -8.315 -9.604 1507 H ARG 10 H ARG 10 4.232 -5.955 -11.187 1508 HA ARG 10 HA ARG 10 2.343 -7.129 -12.921 1509 1HB ARG 10 2HB ARG 10 2.989 -4.784 -13.107 1510 2HB ARG 10 1HB ARG 10 4.623 -5.251 -13.557 1511 1HG ARG 10 2HG ARG 10 3.829 -6.218 -15.612 1512 2HG ARG 10 1HG ARG 10 2.154 -5.915 -15.146 1513 1HD ARG 10 2HD ARG 10 2.934 -4.231 -16.724 1514 2HD ARG 10 1HD ARG 10 2.583 -3.511 -15.154 1515 HE ARG 10 HE ARG 10 4.753 -2.842 -15.066 1516 1HH1 ARG 10 1HH1 ARG 10 4.558 -5.560 -17.248 1517 2HH1 ARG 10 2HH1 ARG 10 6.245 -5.528 -17.636 1518 1HH2 ARG 10 1HH2 ARG 10 6.970 -2.796 -15.583 1519 2HH2 ARG 10 2HH2 ARG 10 7.614 -3.958 -16.694 1520 H ASP 11 H ASP 11 2.467 -8.692 -14.361 1521 HA ASP 11 HA ASP 11 4.927 -9.539 -15.572 1522 1HB ASP 11 2HB ASP 11 3.500 -11.421 -13.672 1523 2HB ASP 11 1HB ASP 11 4.816 -11.871 -14.751 1524 H LEU 12 H LEU 12 2.575 -8.493 -16.585 1525 HA LEU 12 HA LEU 12 0.897 -10.626 -17.563 1526 1HB LEU 12 2HB LEU 12 0.952 -7.723 -18.379 1527 2HB LEU 12 1HB LEU 12 -0.335 -8.873 -18.688 1528 HG LEU 12 HG LEU 12 0.501 -7.866 -15.967 1529 1HD1 LEU 12 1HD1 LEU 12 -2.201 -7.351 -17.005 1530 2HD1 LEU 12 2HD1 LEU 12 -0.897 -6.473 -17.805 1531 3HD1 LEU 12 3HD1 LEU 12 -1.126 -6.319 -16.063 1532 1HD2 LEU 12 1HD2 LEU 12 -1.295 -9.113 -15.064 1533 2HD2 LEU 12 2HD2 LEU 12 -0.381 -10.224 -16.084 1534 3HD2 LEU 12 3HD2 LEU 12 -1.898 -9.539 -16.666 1535 H ASP 13 H ASP 13 3.584 -11.009 -18.321 1536 HA ASP 13 HA ASP 13 3.870 -10.162 -21.070 1537 1HB ASP 13 2HB ASP 13 5.816 -10.371 -19.502 1538 2HB ASP 13 1HB ASP 13 5.573 -12.114 -19.508 1539 H GLY 14 H GLY 14 1.592 -11.378 -21.187 1540 1HA GLY 14 2HA GLY 14 0.460 -13.019 -22.331 1541 2HA GLY 14 1HA GLY 14 2.019 -13.613 -22.885 1542 H LYS 15 H LYS 15 1.929 -15.751 -22.530 1543 HA LYS 15 HA LYS 15 0.637 -16.892 -20.255 1544 1HB LYS 15 2HB LYS 15 0.754 -18.063 -22.416 1545 2HB LYS 15 1HB LYS 15 2.501 -18.158 -22.271 1546 1HG LYS 15 2HG LYS 15 1.873 -20.255 -21.599 1547 2HG LYS 15 1HG LYS 15 1.973 -19.420 -20.052 1548 1HD LYS 15 2HD LYS 15 -0.556 -19.872 -21.633 1549 2HD LYS 15 1HD LYS 15 -0.043 -20.817 -20.236 1550 1HE LYS 15 2HE LYS 15 -0.064 -18.690 -18.907 1551 2HE LYS 15 1HE LYS 15 -0.795 -17.903 -20.305 1552 1HZ LYS 15 1HZ LYS 15 -2.558 -18.515 -18.909 1553 2HZ LYS 15 2HZ LYS 15 -1.936 -20.066 -18.641 1554 3HZ LYS 15 3HZ LYS 15 -2.570 -19.659 -20.156 1555 H SER 16 H SER 16 2.164 -15.267 -18.962 1556 HA SER 16 HA SER 16 3.729 -15.067 -17.326 1557 1HB SER 16 2HB SER 16 2.803 -17.177 -16.508 1558 2HB SER 16 1HB SER 16 3.863 -18.082 -17.590 1559 HG SER 16 HG SER 16 5.641 -17.203 -16.441 1560 H HIS 17 H HIS 17 5.889 -14.644 -17.152 1561 HA HIS 17 HA HIS 17 7.937 -15.990 -18.533 1562 1HB HIS 17 2HB HIS 17 6.903 -14.977 -20.520 1563 2HB HIS 17 1HB HIS 17 7.058 -13.382 -19.792 1564 HD1 HIS 17 1HD HIS 17 9.778 -12.912 -19.092 1565 HD2 HIS 17 2HD HIS 17 8.894 -15.440 -22.270 1566 HE1 HIS 17 1HE HIS 17 11.874 -13.009 -20.475 1567 HE2 HIS 17 2HE HIS 17 11.285 -14.469 -22.443 1568 H LYS 18 H LYS 18 6.899 -12.805 -17.359 1569 HA LYS 18 HA LYS 18 9.445 -11.876 -16.616 1570 1HB LYS 18 2HB LYS 18 6.728 -11.170 -15.495 1571 2HB LYS 18 1HB LYS 18 8.206 -10.270 -15.182 1572 1HG LYS 18 2HG LYS 18 6.920 -10.661 -17.876 1573 2HG LYS 18 1HG LYS 18 6.852 -9.196 -16.895 1574 1HD LYS 18 2HD LYS 18 9.292 -8.996 -17.041 1575 2HD LYS 18 1HD LYS 18 9.347 -10.452 -18.035 1576 1HE LYS 18 2HE LYS 18 9.473 -8.446 -19.415 1577 2HE LYS 18 1HE LYS 18 7.991 -9.344 -19.739 1578 1HZ LYS 18 1HZ LYS 18 8.071 -6.721 -19.264 1579 2HZ LYS 18 2HZ LYS 18 7.781 -7.296 -17.700 1580 3HZ LYS 18 3HZ LYS 18 6.717 -7.688 -18.954 1581 1H MET 1 1HT MET 1 -8.171 14.324 12.463 1582 2H MET 1 2HT MET 1 -6.735 15.262 12.479 1583 3H MET 1 3HT MET 1 -6.659 13.567 12.742 1584 HA MET 1 HA MET 1 -7.677 13.343 10.477 1585 1HB MET 1 2HB MET 1 -6.653 16.190 10.372 1586 2HB MET 1 1HB MET 1 -7.244 15.265 8.999 1587 1HG MET 1 2HG MET 1 -9.456 15.149 10.021 1588 2HG MET 1 1HG MET 1 -8.866 16.070 11.403 1589 1HE MET 1 1HE MET 1 -11.062 18.779 9.934 1590 2HE MET 1 2HE MET 1 -10.920 17.431 11.063 1591 3HE MET 1 3HE MET 1 -11.505 17.149 9.423 1592 H LYS 2 H LYS 2 -6.248 12.231 9.265 1593 HA LYS 2 HA LYS 2 -3.555 12.991 8.858 1594 1HB LYS 2 2HB LYS 2 -2.413 11.269 10.112 1595 2HB LYS 2 1HB LYS 2 -3.376 12.242 11.213 1596 1HG LYS 2 2HG LYS 2 -4.230 9.579 10.112 1597 2HG LYS 2 1HG LYS 2 -3.447 9.805 11.671 1598 1HD LYS 2 2HD LYS 2 -6.091 10.997 10.835 1599 2HD LYS 2 1HD LYS 2 -5.875 9.609 11.897 1600 1HE LYS 2 2HE LYS 2 -4.893 12.408 12.436 1601 2HE LYS 2 1HE LYS 2 -6.302 11.648 13.171 1602 1HZ LYS 2 1HZ LYS 2 -4.323 9.875 13.674 1603 2HZ LYS 2 2HZ LYS 2 -4.885 11.042 14.763 1604 3HZ LYS 2 3HZ LYS 2 -3.518 11.356 13.819 1605 H ASP 3 H ASP 3 -2.851 12.068 7.031 1606 HA ASP 3 HA ASP 3 -3.577 9.413 6.285 1607 1HB ASP 3 2HB ASP 3 -4.831 9.996 4.245 1608 2HB ASP 3 1HB ASP 3 -5.672 10.509 5.704 1609 H THR 4 H THR 4 -1.680 8.737 5.547 1610 HA THR 4 HA THR 4 0.210 10.473 4.293 1611 HB THR 4 HB THR 4 0.801 8.516 5.736 1612 HG1 THR 4 1HG THR 4 2.204 9.440 4.024 1613 1HG2 THR 4 1HG2 THR 4 -0.936 7.043 4.342 1614 2HG2 THR 4 2HG2 THR 4 0.442 6.364 5.209 1615 3HG2 THR 4 3HG2 THR 4 0.549 6.652 3.472 1616 H GLY 5 H GLY 5 0.827 10.524 2.131 1617 1HA GLY 5 2HA GLY 5 -0.667 8.849 0.246 1618 2HA GLY 5 1HA GLY 5 -0.817 10.593 0.089 1619 H ILE 6 H ILE 6 0.581 8.145 -1.364 1620 HA ILE 6 HA ILE 6 2.673 9.777 -2.465 1621 HB ILE 6 HB ILE 6 4.436 7.977 -2.039 1622 1HG1 ILE 6 2HG1 ILE 6 4.122 6.847 0.211 1623 2HG1 ILE 6 1HG1 ILE 6 2.420 7.279 0.094 1624 1HG2 ILE 6 1HG2 ILE 6 4.257 10.306 -1.013 1625 2HG2 ILE 6 2HG2 ILE 6 5.269 9.128 -0.177 1626 3HG2 ILE 6 3HG2 ILE 6 3.653 9.491 0.430 1627 1HD1 ILE 6 1HD1 ILE 6 1.993 5.592 -1.284 1628 2HD1 ILE 6 2HD1 ILE 6 3.577 4.971 -0.822 1629 3HD1 ILE 6 3HD1 ILE 6 3.403 5.939 -2.286 1630 H GLN 7 H GLN 7 3.375 9.126 -4.440 1631 HA GLN 7 HA GLN 7 2.214 6.637 -5.503 1632 1HB GLN 7 2HB GLN 7 1.021 8.574 -6.400 1633 2HB GLN 7 1HB GLN 7 2.540 9.291 -6.916 1634 1HG GLN 7 2HG GLN 7 2.885 7.417 -8.460 1635 2HG GLN 7 1HG GLN 7 1.339 6.734 -7.958 1636 1HE2 GLN 7 1HE2 GLN 7 -0.229 7.108 -9.332 1637 2HE2 GLN 7 2HE2 GLN 7 -0.408 8.507 -10.330 1638 H VAL 8 H VAL 8 3.755 5.236 -5.989 1639 HA VAL 8 HA VAL 8 6.410 6.243 -6.733 1640 HB VAL 8 HB VAL 8 5.634 3.463 -5.836 1641 1HG1 VAL 8 1HG1 VAL 8 8.311 3.695 -5.432 1642 2HG1 VAL 8 2HG1 VAL 8 8.102 4.631 -6.911 1643 3HG1 VAL 8 3HG1 VAL 8 7.574 2.950 -6.849 1644 1HG2 VAL 8 1HG2 VAL 8 7.108 4.258 -3.829 1645 2HG2 VAL 8 2HG2 VAL 8 5.399 4.686 -3.901 1646 3HG2 VAL 8 3HG2 VAL 8 6.624 5.865 -4.370 1647 H ASP 9 H ASP 9 7.438 5.575 -8.588 1648 HA ASP 9 HA ASP 9 6.508 3.550 -10.314 1649 1HB ASP 9 2HB ASP 9 4.651 5.113 -10.700 1650 2HB ASP 9 1HB ASP 9 5.798 6.375 -11.143 1651 H ARG 10 H ARG 10 8.546 2.931 -10.718 1652 HA ARG 10 HA ARG 10 10.099 4.224 -12.642 1653 1HB ARG 10 2HB ARG 10 12.020 4.979 -11.304 1654 2HB ARG 10 1HB ARG 10 10.565 5.890 -10.928 1655 1HG ARG 10 2HG ARG 10 10.241 4.548 -8.917 1656 2HG ARG 10 1HG ARG 10 11.698 3.627 -9.294 1657 1HD ARG 10 2HD ARG 10 12.181 5.341 -7.640 1658 2HD ARG 10 1HD ARG 10 13.026 5.680 -9.149 1659 HE ARG 10 HE ARG 10 11.902 7.652 -9.242 1660 1HH1 ARG 10 1HH1 ARG 10 10.051 5.456 -7.255 1661 2HH1 ARG 10 2HH1 ARG 10 8.815 6.618 -6.907 1662 1HH2 ARG 10 1HH2 ARG 10 10.281 9.179 -8.779 1663 2HH2 ARG 10 2HH2 ARG 10 8.946 8.731 -7.770 1664 H ASP 11 H ASP 11 11.529 2.807 -13.481 1665 HA ASP 11 HA ASP 11 11.729 0.204 -12.232 1666 1HB ASP 11 2HB ASP 11 12.774 1.189 -14.888 1667 2HB ASP 11 1HB ASP 11 12.800 -0.485 -14.341 1668 H LEU 12 H LEU 12 13.044 2.072 -10.700 1669 HA LEU 12 HA LEU 12 14.996 2.340 -9.576 1670 1HB LEU 12 2HB LEU 12 15.842 -0.003 -11.278 1671 2HB LEU 12 1HB LEU 12 16.862 0.713 -10.047 1672 HG LEU 12 HG LEU 12 15.298 0.086 -8.309 1673 1HD1 LEU 12 1HD1 LEU 12 13.585 -0.796 -10.612 1674 2HD1 LEU 12 2HD1 LEU 12 13.177 0.292 -9.284 1675 3HD1 LEU 12 3HD1 LEU 12 13.369 -1.435 -8.983 1676 1HD2 LEU 12 1HD2 LEU 12 15.665 -2.308 -10.090 1677 2HD2 LEU 12 2HD2 LEU 12 15.649 -2.247 -8.327 1678 3HD2 LEU 12 3HD2 LEU 12 16.999 -1.549 -9.220 1679 H ASP 13 H ASP 13 15.210 2.081 -13.073 1680 HA ASP 13 HA ASP 13 16.325 3.303 -14.631 1681 1HB ASP 13 2HB ASP 13 16.675 5.253 -12.342 1682 2HB ASP 13 1HB ASP 13 16.984 5.614 -14.038 1683 H GLY 14 H GLY 14 18.303 3.100 -15.494 1684 1HA GLY 14 2HA GLY 14 20.374 1.850 -14.046 1685 2HA GLY 14 1HA GLY 14 20.523 2.535 -15.657 1686 H LYS 15 H LYS 15 22.456 3.543 -15.465 1687 HA LYS 15 HA LYS 15 23.249 5.050 -13.196 1688 1HB LYS 15 2HB LYS 15 25.111 5.810 -14.615 1689 2HB LYS 15 1HB LYS 15 24.896 4.067 -14.693 1690 1HG LYS 15 2HG LYS 15 23.732 4.304 -16.828 1691 2HG LYS 15 1HG LYS 15 23.958 6.054 -16.752 1692 1HD LYS 15 2HD LYS 15 26.384 5.742 -16.768 1693 2HD LYS 15 1HD LYS 15 26.162 3.993 -16.833 1694 1HE LYS 15 2HE LYS 15 25.009 4.225 -18.981 1695 2HE LYS 15 1HE LYS 15 25.237 5.971 -18.914 1696 1HZ LYS 15 1HZ LYS 15 27.740 5.152 -18.610 1697 2HZ LYS 15 2HZ LYS 15 27.050 5.464 -20.123 1698 3HZ LYS 15 3HZ LYS 15 27.146 3.875 -19.549 1699 H SER 16 H SER 16 21.897 5.936 -16.347 1700 HA SER 16 HA SER 16 22.114 8.700 -16.154 1701 1HB SER 16 2HB SER 16 19.924 7.083 -17.481 1702 2HB SER 16 1HB SER 16 20.254 8.789 -17.778 1703 HG SER 16 HG SER 16 21.452 7.920 -19.307 1704 H HIS 17 H HIS 17 21.128 10.216 -14.991 1705 HA HIS 17 HA HIS 17 19.456 9.568 -12.826 1706 1HB HIS 17 2HB HIS 17 19.270 11.960 -12.454 1707 2HB HIS 17 1HB HIS 17 20.929 11.558 -12.882 1708 HD1 HIS 17 1HD HIS 17 21.361 11.906 -15.650 1709 HD2 HIS 17 2HD HIS 17 18.362 14.106 -13.797 1710 HE1 HIS 17 1HE HIS 17 20.905 13.845 -17.182 1711 HE2 HIS 17 2HE HIS 17 19.037 15.122 -16.076 1712 H LYS 18 H LYS 18 17.281 9.671 -12.523 1713 HA LYS 18 HA LYS 18 15.549 9.209 -14.625 1714 1HB LYS 18 2HB LYS 18 13.725 9.804 -12.985 1715 2HB LYS 18 1HB LYS 18 14.863 8.581 -12.446 1716 1HG LYS 18 2HG LYS 18 14.365 10.082 -10.637 1717 2HG LYS 18 1HG LYS 18 16.045 10.288 -11.125 1718 1HD LYS 18 2HD LYS 18 15.504 12.309 -12.316 1719 2HD LYS 18 1HD LYS 18 13.779 12.063 -12.031 1720 1HE LYS 18 2HE LYS 18 15.879 12.555 -9.920 1721 2HE LYS 18 1HE LYS 18 14.716 13.739 -10.514 1722 1HZ LYS 18 1HZ LYS 18 13.895 12.852 -8.484 1723 2HZ LYS 18 2HZ LYS 18 14.132 11.257 -8.996 1724 3HZ LYS 18 3HZ LYS 18 12.939 12.210 -9.725 Start of MODEL 18 1 1H MET 1 1HT MET 1 -25.118 -1.540 -21.256 2 2H MET 1 2HT MET 1 -26.542 -0.827 -20.615 3 3H MET 1 3HT MET 1 -26.548 -2.474 -21.101 4 HA MET 1 HA MET 1 -25.036 -1.282 -18.874 5 1HB MET 1 2HB MET 1 -27.440 -1.524 -18.478 6 2HB MET 1 1HB MET 1 -27.372 -3.203 -18.997 7 1HG MET 1 2HG MET 1 -25.916 -3.730 -17.108 8 2HG MET 1 1HG MET 1 -25.988 -2.047 -16.588 9 1HE MET 1 1HE MET 1 -26.361 -3.197 -14.442 10 2HE MET 1 2HE MET 1 -27.218 -4.737 -14.519 11 3HE MET 1 3HE MET 1 -27.984 -3.338 -13.767 12 H CYS 2 H CYS 2 -23.422 -2.481 -18.040 13 HA CYS 2 HA CYS 2 -23.169 -5.301 -18.639 14 1HB CYS 2 2HB CYS 2 -21.075 -3.324 -19.573 15 2HB CYS 2 1HB CYS 2 -20.894 -5.076 -19.587 16 HG CYS 2 HG CYS 2 -23.277 -4.258 -21.233 17 H ASP 3 H ASP 3 -22.172 -6.363 -17.022 18 HA ASP 3 HA ASP 3 -21.616 -5.075 -14.594 19 1HB ASP 3 2HB ASP 3 -20.735 -7.812 -15.538 20 2HB ASP 3 1HB ASP 3 -20.703 -7.253 -13.870 21 H ARG 4 H ARG 4 -19.812 -4.234 -13.720 22 HA ARG 4 HA ARG 4 -17.661 -3.479 -15.327 23 1HB ARG 4 2HB ARG 4 -16.520 -2.939 -13.120 24 2HB ARG 4 1HB ARG 4 -18.053 -2.147 -13.439 25 1HG ARG 4 2HG ARG 4 -17.947 -2.840 -11.138 26 2HG ARG 4 1HG ARG 4 -19.181 -3.775 -11.980 27 1HD ARG 4 2HD ARG 4 -17.769 -5.685 -12.085 28 2HD ARG 4 1HD ARG 4 -16.374 -4.765 -11.528 29 HE ARG 4 HE ARG 4 -18.392 -4.639 -9.583 30 1HH1 ARG 4 1HH1 ARG 4 -16.185 -6.945 -10.996 31 2HH1 ARG 4 2HH1 ARG 4 -16.104 -7.929 -9.574 32 1HH2 ARG 4 1HH2 ARG 4 -18.288 -5.936 -7.711 33 2HH2 ARG 4 2HH2 ARG 4 -17.298 -7.356 -7.709 34 H LYS 5 H LYS 5 -15.585 -4.198 -15.583 35 HA LYS 5 HA LYS 5 -15.185 -6.994 -15.441 36 1HB LYS 5 2HB LYS 5 -13.170 -4.787 -15.924 37 2HB LYS 5 1HB LYS 5 -12.910 -6.495 -16.250 38 1HG LYS 5 2HG LYS 5 -14.965 -4.745 -17.582 39 2HG LYS 5 1HG LYS 5 -13.430 -5.260 -18.282 40 1HD LYS 5 2HD LYS 5 -15.677 -7.083 -17.428 41 2HD LYS 5 1HD LYS 5 -15.294 -6.630 -19.089 42 1HE LYS 5 2HE LYS 5 -13.086 -7.672 -18.850 43 2HE LYS 5 1HE LYS 5 -13.489 -8.138 -17.198 44 1HZ LYS 5 1HZ LYS 5 -13.789 -9.848 -19.064 45 2HZ LYS 5 2HZ LYS 5 -15.188 -8.984 -19.457 46 3HZ LYS 5 3HZ LYS 5 -15.031 -9.684 -17.925 47 H ALA 6 H ALA 6 -12.208 -6.082 -14.505 48 HA ALA 6 HA ALA 6 -10.992 -6.224 -12.592 49 1HB ALA 6 1HB ALA 6 -11.683 -4.907 -10.911 50 2HB ALA 6 2HB ALA 6 -13.199 -5.783 -10.718 51 3HB ALA 6 3HB ALA 6 -13.047 -4.545 -11.965 52 H VAL 7 H VAL 7 -10.276 -8.077 -11.726 53 HA VAL 7 HA VAL 7 -12.227 -10.175 -11.147 54 HB VAL 7 HB VAL 7 -10.303 -11.696 -11.216 55 1HG1 VAL 7 1HG1 VAL 7 -11.397 -11.767 -13.224 56 2HG1 VAL 7 2HG1 VAL 7 -9.817 -11.202 -13.765 57 3HG1 VAL 7 3HG1 VAL 7 -11.136 -10.051 -13.543 58 1HG2 VAL 7 1HG2 VAL 7 -8.159 -10.960 -12.062 59 2HG2 VAL 7 2HG2 VAL 7 -8.574 -10.052 -10.608 60 3HG2 VAL 7 3HG2 VAL 7 -8.758 -9.307 -12.196 61 H ILE 8 H ILE 8 -12.409 -11.075 -9.190 62 HA ILE 8 HA ILE 8 -11.118 -9.743 -6.962 63 HB ILE 8 HB ILE 8 -13.258 -11.872 -7.045 64 1HG1 ILE 8 2HG1 ILE 8 -14.685 -10.049 -6.156 65 2HG1 ILE 8 1HG1 ILE 8 -13.324 -8.941 -6.286 66 1HG2 ILE 8 1HG2 ILE 8 -13.378 -10.954 -4.522 67 2HG2 ILE 8 2HG2 ILE 8 -11.640 -10.845 -4.802 68 3HG2 ILE 8 3HG2 ILE 8 -12.467 -12.389 -4.994 69 1HD1 ILE 8 1HD1 ILE 8 -14.386 -10.418 -8.664 70 2HD1 ILE 8 2HD1 ILE 8 -13.385 -8.967 -8.619 71 3HD1 ILE 8 3HD1 ILE 8 -15.076 -8.887 -8.123 72 H LYS 9 H LYS 9 -9.687 -10.643 -5.546 73 HA LYS 9 HA LYS 9 -8.733 -13.356 -6.170 74 1HB LYS 9 2HB LYS 9 -7.067 -10.949 -5.424 75 2HB LYS 9 1HB LYS 9 -6.448 -12.587 -5.594 76 1HG LYS 9 2HG LYS 9 -7.695 -10.923 -7.773 77 2HG LYS 9 1HG LYS 9 -5.976 -11.272 -7.573 78 1HD LYS 9 2HD LYS 9 -6.431 -13.661 -7.874 79 2HD LYS 9 1HD LYS 9 -8.148 -13.308 -8.076 80 1HE LYS 9 2HE LYS 9 -7.075 -13.626 -10.236 81 2HE LYS 9 1HE LYS 9 -7.634 -11.964 -10.057 82 1HZ LYS 9 1HZ LYS 9 -5.361 -11.328 -9.463 83 2HZ LYS 9 2HZ LYS 9 -5.435 -12.011 -11.008 84 3HZ LYS 9 3HZ LYS 9 -4.843 -12.920 -9.710 85 H ASN 10 H ASN 10 -9.295 -10.915 -3.700 86 HA ASN 10 HA ASN 10 -9.249 -13.054 -1.694 87 1HB ASN 10 2HB ASN 10 -7.880 -10.377 -1.354 88 2HB ASN 10 1HB ASN 10 -8.066 -11.593 -0.095 89 1HD2 ASN 10 1HD2 ASN 10 -5.902 -10.336 -2.098 90 2HD2 ASN 10 2HD2 ASN 10 -4.883 -11.703 -2.379 91 H ALA 11 H ALA 11 -11.596 -12.439 -2.535 92 HA ALA 11 HA ALA 11 -12.909 -10.157 -1.661 93 1HB ALA 11 1HB ALA 11 -14.446 -11.233 -2.862 94 2HB ALA 11 2HB ALA 11 -14.798 -12.168 -1.409 95 3HB ALA 11 3HB ALA 11 -13.662 -12.791 -2.606 96 H ASP 12 H ASP 12 -13.897 -9.530 0.206 97 HA ASP 12 HA ASP 12 -14.421 -11.167 2.431 98 1HB ASP 12 2HB ASP 12 -11.975 -11.272 2.621 99 2HB ASP 12 1HB ASP 12 -11.893 -9.513 2.643 100 H MET 13 H MET 13 -16.134 -9.565 1.430 101 HA MET 13 HA MET 13 -16.794 -7.703 3.421 102 1HB MET 13 2HB MET 13 -14.954 -6.403 2.417 103 2HB MET 13 1HB MET 13 -15.766 -6.465 0.860 104 1HG MET 13 2HG MET 13 -17.657 -5.226 1.822 105 2HG MET 13 1HG MET 13 -16.789 -5.121 3.351 106 1HE MET 13 1HE MET 13 -14.312 -3.020 3.392 107 2HE MET 13 2HE MET 13 -13.486 -3.582 1.938 108 3HE MET 13 3HE MET 13 -14.204 -4.747 3.049 109 H SER 14 H SER 14 -18.801 -6.568 2.963 110 HA SER 14 HA SER 14 -20.768 -8.079 1.827 111 1HB SER 14 2HB SER 14 -21.228 -6.160 3.276 112 2HB SER 14 1HB SER 14 -20.707 -5.059 2.004 113 HG SER 14 HG SER 14 -22.868 -6.885 1.785 114 H GLU 15 H GLU 15 -21.753 -8.290 -0.132 115 HA GLU 15 HA GLU 15 -20.285 -8.061 -2.458 116 1HB GLU 15 2HB GLU 15 -23.287 -8.129 -2.175 117 2HB GLU 15 1HB GLU 15 -22.399 -8.466 -3.654 118 1HG GLU 15 2HG GLU 15 -21.332 -10.383 -2.581 119 2HG GLU 15 1HG GLU 15 -22.224 -10.045 -1.098 120 H GLU 16 H GLU 16 -22.760 -5.856 -1.230 121 HA GLU 16 HA GLU 16 -22.767 -4.117 -3.433 122 1HB GLU 16 2HB GLU 16 -23.849 -2.501 -1.926 123 2HB GLU 16 1HB GLU 16 -24.559 -4.104 -1.788 124 1HG GLU 16 2HG GLU 16 -23.275 -4.497 0.251 125 2HG GLU 16 1HG GLU 16 -22.563 -2.892 0.111 126 H MET 17 H MET 17 -20.839 -4.102 -0.472 127 HA MET 17 HA MET 17 -19.628 -1.597 -0.914 128 1HB MET 17 2HB MET 17 -18.593 -3.974 0.636 129 2HB MET 17 1HB MET 17 -17.943 -2.343 0.729 130 1HG MET 17 2HG MET 17 -20.066 -1.536 1.606 131 2HG MET 17 1HG MET 17 -20.738 -3.160 1.492 132 1HE MET 17 1HE MET 17 -20.795 -3.206 5.066 133 2HE MET 17 2HE MET 17 -21.472 -2.326 3.693 134 3HE MET 17 3HE MET 17 -20.366 -1.515 4.803 135 H GLN 18 H GLN 18 -18.568 -4.885 -1.718 136 HA GLN 18 HA GLN 18 -16.103 -4.098 -2.833 137 1HB GLN 18 2HB GLN 18 -16.141 -6.348 -3.935 138 2HB GLN 18 1HB GLN 18 -16.344 -6.368 -2.191 139 1HG GLN 18 2HG GLN 18 -18.787 -6.592 -2.529 140 2HG GLN 18 1HG GLN 18 -18.495 -6.705 -4.264 141 1HE2 GLN 18 1HE2 GLN 18 -18.714 -8.383 -1.366 142 2HE2 GLN 18 2HE2 GLN 18 -18.120 -9.908 -1.909 143 H GLN 19 H GLN 19 -19.315 -4.478 -4.261 144 HA GLN 19 HA GLN 19 -18.401 -4.123 -6.938 145 1HB GLN 19 2HB GLN 19 -20.762 -3.785 -7.511 146 2HB GLN 19 1HB GLN 19 -20.543 -5.202 -6.493 147 1HG GLN 19 2HG GLN 19 -21.292 -3.951 -4.560 148 2HG GLN 19 1HG GLN 19 -21.473 -2.502 -5.547 149 1HE2 GLN 19 1HE2 GLN 19 -23.484 -2.096 -6.086 150 2HE2 GLN 19 2HE2 GLN 19 -24.724 -3.263 -6.376 151 H ASP 20 H ASP 20 -19.593 -1.959 -4.430 152 HA ASP 20 HA ASP 20 -19.786 0.360 -6.027 153 1HB ASP 20 2HB ASP 20 -20.830 0.193 -3.806 154 2HB ASP 20 1HB ASP 20 -19.236 0.125 -3.058 155 H SER 21 H SER 21 -17.116 -1.033 -4.191 156 HA SER 21 HA SER 21 -15.350 1.146 -4.570 157 1HB SER 21 2HB SER 21 -14.719 -1.780 -4.090 158 2HB SER 21 1HB SER 21 -13.567 -0.452 -3.944 159 HG SER 21 HG SER 21 -14.691 0.325 -2.206 160 H VAL 22 H VAL 22 -15.868 -1.871 -6.345 161 HA VAL 22 HA VAL 22 -13.846 -1.485 -8.263 162 HB VAL 22 HB VAL 22 -16.446 -2.978 -8.627 163 1HG1 VAL 22 1HG1 VAL 22 -15.631 -3.009 -10.742 164 2HG1 VAL 22 2HG1 VAL 22 -14.682 -4.346 -10.092 165 3HG1 VAL 22 3HG1 VAL 22 -13.967 -2.740 -10.224 166 1HG2 VAL 22 1HG2 VAL 22 -14.361 -3.487 -6.804 167 2HG2 VAL 22 2HG2 VAL 22 -14.199 -4.673 -8.100 168 3HG2 VAL 22 3HG2 VAL 22 -15.720 -4.533 -7.219 169 H GLU 23 H GLU 23 -17.290 -0.672 -8.275 170 HA GLU 23 HA GLU 23 -17.310 0.447 -10.874 171 1HB GLU 23 2HB GLU 23 -19.150 0.881 -8.519 172 2HB GLU 23 1HB GLU 23 -19.451 1.521 -10.129 173 1HG GLU 23 2HG GLU 23 -19.537 -0.739 -11.026 174 2HG GLU 23 1HG GLU 23 -19.200 -1.395 -9.426 175 H CYS 24 H CYS 24 -16.979 1.862 -7.648 176 HA CYS 24 HA CYS 24 -16.806 4.545 -8.521 177 1HB CYS 24 2HB CYS 24 -15.850 3.203 -5.993 178 2HB CYS 24 1HB CYS 24 -15.739 4.939 -6.262 179 HG CYS 24 HG CYS 24 -18.105 3.619 -5.168 180 H ALA 25 H ALA 25 -14.422 1.995 -8.179 181 HA ALA 25 HA ALA 25 -12.139 3.679 -8.437 182 1HB ALA 25 1HB ALA 25 -12.307 0.746 -9.121 183 2HB ALA 25 2HB ALA 25 -12.145 1.354 -7.473 184 3HB ALA 25 3HB ALA 25 -10.876 1.669 -8.658 185 H THR 26 H THR 26 -14.148 1.802 -10.637 186 HA THR 26 HA THR 26 -12.633 2.134 -12.955 187 HB THR 26 HB THR 26 -15.625 1.835 -12.672 188 HG1 THR 26 1HG THR 26 -13.572 -0.081 -13.058 189 1HG2 THR 26 1HG2 THR 26 -15.077 0.596 -14.974 190 2HG2 THR 26 2HG2 THR 26 -13.882 1.893 -15.044 191 3HG2 THR 26 3HG2 THR 26 -15.595 2.280 -14.876 192 H GLN 27 H GLN 27 -15.320 4.032 -11.662 193 HA GLN 27 HA GLN 27 -15.431 5.964 -13.693 194 1HB GLN 27 2HB GLN 27 -16.095 6.227 -10.753 195 2HB GLN 27 1HB GLN 27 -16.553 7.385 -11.994 196 1HG GLN 27 2HG GLN 27 -17.899 5.676 -13.098 197 2HG GLN 27 1HG GLN 27 -17.436 4.512 -11.858 198 1HE2 GLN 27 1HE2 GLN 27 -18.933 4.203 -10.390 199 2HE2 GLN 27 2HE2 GLN 27 -20.067 5.375 -9.819 200 H ALA 28 H ALA 28 -13.471 5.663 -10.810 201 HA ALA 28 HA ALA 28 -12.332 8.210 -10.729 202 1HB ALA 28 1HB ALA 28 -10.477 6.105 -9.987 203 2HB ALA 28 2HB ALA 28 -12.076 5.866 -9.295 204 3HB ALA 28 3HB ALA 28 -11.204 7.370 -9.000 205 H LEU 29 H LEU 29 -11.368 5.308 -12.517 206 HA LEU 29 HA LEU 29 -8.962 6.372 -13.534 207 1HB LEU 29 2HB LEU 29 -10.751 4.137 -14.435 208 2HB LEU 29 1HB LEU 29 -9.309 4.576 -15.333 209 HG LEU 29 HG LEU 29 -9.241 3.850 -12.417 210 1HD1 LEU 29 1HD1 LEU 29 -8.269 1.659 -13.406 211 2HD1 LEU 29 2HD1 LEU 29 -9.169 2.112 -14.854 212 3HD1 LEU 29 3HD1 LEU 29 -10.019 1.861 -13.330 213 1HD2 LEU 29 1HD2 LEU 29 -7.327 5.098 -13.195 214 2HD2 LEU 29 2HD2 LEU 29 -7.134 4.004 -14.565 215 3HD2 LEU 29 3HD2 LEU 29 -6.866 3.418 -12.924 216 H GLU 30 H GLU 30 -12.226 6.195 -14.869 217 HA GLU 30 HA GLU 30 -11.601 7.422 -17.341 218 1HB GLU 30 2HB GLU 30 -14.250 7.292 -15.889 219 2HB GLU 30 1HB GLU 30 -14.031 7.712 -17.582 220 1HG GLU 30 2HG GLU 30 -13.358 5.060 -16.328 221 2HG GLU 30 1HG GLU 30 -14.782 5.411 -17.305 222 H LYS 31 H LYS 31 -12.539 8.689 -14.206 223 HA LYS 31 HA LYS 31 -12.832 11.379 -15.235 224 1HB LYS 31 2HB LYS 31 -13.018 10.284 -12.430 225 2HB LYS 31 1HB LYS 31 -13.329 11.957 -12.871 226 1HG LYS 31 2HG LYS 31 -15.178 11.241 -14.296 227 2HG LYS 31 1HG LYS 31 -14.860 9.562 -13.857 228 1HD LYS 31 2HD LYS 31 -15.404 10.004 -11.556 229 2HD LYS 31 1HD LYS 31 -15.550 11.733 -11.881 230 1HE LYS 31 2HE LYS 31 -17.744 10.672 -11.722 231 2HE LYS 31 1HE LYS 31 -17.457 11.310 -13.339 232 1HZ LYS 31 1HZ LYS 31 -17.995 9.305 -14.081 233 2HZ LYS 31 2HZ LYS 31 -17.984 8.635 -12.529 234 3HZ LYS 31 3HZ LYS 31 -16.550 8.721 -13.421 235 H TYR 32 H TYR 32 -10.541 9.555 -13.264 236 HA TYR 32 HA TYR 32 -8.812 11.933 -13.209 237 1HB TYR 32 2HB TYR 32 -8.697 9.485 -11.440 238 2HB TYR 32 1HB TYR 32 -7.681 10.915 -11.295 239 HD1 TYR 32 1HD TYR 32 -11.327 10.085 -11.448 240 HD2 TYR 32 2HD TYR 32 -8.260 12.427 -9.657 241 HE1 TYR 32 1HE TYR 32 -12.990 11.104 -9.950 242 HE2 TYR 32 2HE TYR 32 -9.914 13.449 -8.150 243 HH TYR 32 HH TYR 32 -12.970 13.584 -8.594 244 H ASN 33 H ASN 33 -8.724 8.415 -13.674 245 HA ASN 33 HA ASN 33 -7.364 7.080 -14.911 246 1HB ASN 33 2HB ASN 33 -7.867 8.656 -16.742 247 2HB ASN 33 1HB ASN 33 -6.516 9.666 -16.240 248 1HD2 ASN 33 1HD2 ASN 33 -4.791 9.422 -17.439 249 2HD2 ASN 33 2HD2 ASN 33 -4.282 7.969 -18.222 250 H ILE 34 H ILE 34 -6.497 7.811 -12.408 251 HA ILE 34 HA ILE 34 -3.636 7.448 -12.691 252 HB ILE 34 HB ILE 34 -4.751 9.757 -11.092 253 1HG1 ILE 34 2HG1 ILE 34 -2.997 9.713 -13.557 254 2HG1 ILE 34 1HG1 ILE 34 -4.673 10.248 -13.485 255 1HG2 ILE 34 1HG2 ILE 34 -2.938 8.890 -9.860 256 2HG2 ILE 34 2HG2 ILE 34 -2.286 10.260 -10.758 257 3HG2 ILE 34 3HG2 ILE 34 -1.981 8.615 -11.313 258 1HD1 ILE 34 1HD1 ILE 34 -2.571 11.561 -11.814 259 2HD1 ILE 34 2HD1 ILE 34 -4.134 12.189 -12.341 260 3HD1 ILE 34 3HD1 ILE 34 -2.817 12.012 -13.502 261 H GLU 35 H GLU 35 -3.243 5.751 -11.459 262 HA GLU 35 HA GLU 35 -4.865 4.479 -9.703 263 1HB GLU 35 2HB GLU 35 -1.855 4.664 -9.524 264 2HB GLU 35 1HB GLU 35 -2.843 3.431 -8.753 265 1HG GLU 35 2HG GLU 35 -3.582 2.635 -10.926 266 2HG GLU 35 1HG GLU 35 -2.643 3.897 -11.721 267 H LYS 36 H LYS 36 -2.491 6.973 -8.814 268 HA LYS 36 HA LYS 36 -2.844 6.889 -6.053 269 1HB LYS 36 2HB LYS 36 -1.048 8.144 -7.180 270 2HB LYS 36 1HB LYS 36 -2.235 9.305 -7.760 271 1HG LYS 36 2HG LYS 36 -2.799 9.644 -5.274 272 2HG LYS 36 1HG LYS 36 -1.248 8.856 -4.973 273 1HD LYS 36 2HD LYS 36 -0.811 11.179 -5.000 274 2HD LYS 36 1HD LYS 36 -0.238 10.558 -6.549 275 1HE LYS 36 2HE LYS 36 -1.443 12.591 -6.956 276 2HE LYS 36 1HE LYS 36 -2.410 11.244 -7.554 277 1HZ LYS 36 1HZ LYS 36 -2.916 12.050 -4.811 278 2HZ LYS 36 2HZ LYS 36 -4.000 11.586 -6.024 279 3HZ LYS 36 3HZ LYS 36 -3.381 13.160 -6.000 280 H ASP 37 H ASP 37 -4.420 9.072 -8.393 281 HA ASP 37 HA ASP 37 -6.069 10.386 -6.564 282 1HB ASP 37 2HB ASP 37 -6.470 9.883 -9.515 283 2HB ASP 37 1HB ASP 37 -7.448 10.991 -8.557 284 H ILE 38 H ILE 38 -6.651 7.430 -8.420 285 HA ILE 38 HA ILE 38 -9.338 7.035 -8.035 286 HB ILE 38 HB ILE 38 -7.209 4.898 -7.793 287 1HG1 ILE 38 2HG1 ILE 38 -8.722 5.805 -10.250 288 2HG1 ILE 38 1HG1 ILE 38 -7.069 6.261 -9.879 289 1HG2 ILE 38 1HG2 ILE 38 -9.086 3.462 -8.742 290 2HG2 ILE 38 2HG2 ILE 38 -10.169 4.776 -8.280 291 3HG2 ILE 38 3HG2 ILE 38 -9.218 3.943 -7.050 292 1HD1 ILE 38 1HD1 ILE 38 -6.667 4.523 -11.265 293 2HD1 ILE 38 2HD1 ILE 38 -8.156 3.686 -10.828 294 3HD1 ILE 38 3HD1 ILE 38 -6.768 3.640 -9.741 295 H ALA 39 H ALA 39 -6.738 6.024 -5.841 296 HA ALA 39 HA ALA 39 -8.451 5.060 -3.807 297 1HB ALA 39 1HB ALA 39 -5.548 5.638 -4.045 298 2HB ALA 39 2HB ALA 39 -6.374 4.136 -3.630 299 3HB ALA 39 3HB ALA 39 -6.230 5.424 -2.433 300 H ALA 40 H ALA 40 -7.114 8.235 -4.483 301 HA ALA 40 HA ALA 40 -7.408 9.377 -1.946 302 1HB ALA 40 1HB ALA 40 -7.064 11.439 -2.961 303 2HB ALA 40 2HB ALA 40 -7.847 10.943 -4.460 304 3HB ALA 40 3HB ALA 40 -6.255 10.308 -4.046 305 H HIS 41 H HIS 41 -9.622 9.719 -4.726 306 HA HIS 41 HA HIS 41 -11.656 10.956 -3.207 307 1HB HIS 41 2HB HIS 41 -12.806 11.121 -5.168 308 2HB HIS 41 1HB HIS 41 -11.220 10.758 -5.835 309 HD1 HIS 41 1HD HIS 41 -14.411 8.942 -4.881 310 HD2 HIS 41 2HD HIS 41 -11.174 8.578 -7.460 311 HE1 HIS 41 1HE HIS 41 -14.938 6.965 -6.338 312 HE2 HIS 41 2HE HIS 41 -13.031 6.843 -7.972 313 H ILE 42 H ILE 42 -11.249 7.595 -4.320 314 HA ILE 42 HA ILE 42 -13.658 6.605 -3.294 315 HB ILE 42 HB ILE 42 -11.033 5.170 -3.720 316 1HG1 ILE 42 2HG1 ILE 42 -13.553 5.354 -5.375 317 2HG1 ILE 42 1HG1 ILE 42 -11.994 6.078 -5.756 318 1HG2 ILE 42 1HG2 ILE 42 -12.345 3.093 -3.644 319 2HG2 ILE 42 2HG2 ILE 42 -13.765 4.021 -3.165 320 3HG2 ILE 42 3HG2 ILE 42 -12.363 3.944 -2.099 321 1HD1 ILE 42 1HD1 ILE 42 -11.727 3.250 -5.321 322 2HD1 ILE 42 2HD1 ILE 42 -11.299 4.222 -6.729 323 3HD1 ILE 42 3HD1 ILE 42 -12.937 3.594 -6.556 324 H LYS 43 H LYS 43 -10.502 7.031 -1.760 325 HA LYS 43 HA LYS 43 -11.029 5.626 0.605 326 1HB LYS 43 2HB LYS 43 -8.778 6.369 -0.002 327 2HB LYS 43 1HB LYS 43 -9.265 8.047 0.189 328 1HG LYS 43 2HG LYS 43 -9.667 7.653 2.572 329 2HG LYS 43 1HG LYS 43 -9.158 5.975 2.372 330 1HD LYS 43 2HD LYS 43 -7.342 7.325 3.270 331 2HD LYS 43 1HD LYS 43 -6.943 6.742 1.652 332 1HE LYS 43 2HE LYS 43 -6.309 9.086 1.942 333 2HE LYS 43 1HE LYS 43 -7.552 8.901 0.708 334 1HZ LYS 43 1HZ LYS 43 -8.670 9.336 3.300 335 2HZ LYS 43 2HZ LYS 43 -8.941 10.177 1.859 336 3HZ LYS 43 3HZ LYS 43 -7.635 10.596 2.848 337 H LYS 44 H LYS 44 -11.260 9.143 0.010 338 HA LYS 44 HA LYS 44 -12.389 9.753 2.512 339 1HB LYS 44 2HB LYS 44 -12.637 11.253 -0.099 340 2HB LYS 44 1HB LYS 44 -13.023 11.906 1.488 341 1HG LYS 44 2HG LYS 44 -10.688 11.622 2.167 342 2HG LYS 44 1HG LYS 44 -10.307 10.988 0.565 343 1HD LYS 44 2HD LYS 44 -11.375 13.745 1.168 344 2HD LYS 44 1HD LYS 44 -9.704 13.352 0.759 345 1HE LYS 44 2HE LYS 44 -10.444 12.513 -1.422 346 2HE LYS 44 1HE LYS 44 -12.108 12.924 -1.012 347 1HZ LYS 44 1HZ LYS 44 -11.101 14.626 -2.388 348 2HZ LYS 44 2HZ LYS 44 -9.858 14.848 -1.261 349 3HZ LYS 44 3HZ LYS 44 -11.452 15.248 -0.853 350 H GLU 45 H GLU 45 -13.938 9.041 -0.597 351 HA GLU 45 HA GLU 45 -16.551 9.693 0.043 352 1HB GLU 45 2HB GLU 45 -15.835 9.098 -2.215 353 2HB GLU 45 1HB GLU 45 -15.572 7.435 -1.710 354 1HG GLU 45 2HG GLU 45 -17.958 7.198 -1.241 355 2HG GLU 45 1HG GLU 45 -18.220 8.866 -1.750 356 H PHE 46 H PHE 46 -14.937 6.543 0.493 357 HA PHE 46 HA PHE 46 -17.204 5.298 1.644 358 1HB PHE 46 2HB PHE 46 -14.287 4.591 1.591 359 2HB PHE 46 1HB PHE 46 -15.460 3.610 2.463 360 HD1 PHE 46 1HD PHE 46 -15.343 5.265 -0.893 361 HD2 PHE 46 2HD PHE 46 -16.062 1.719 1.340 362 HE1 PHE 46 1HE PHE 46 -15.896 4.074 -2.972 363 HE2 PHE 46 2HE PHE 46 -16.618 0.520 -0.734 364 HZ PHE 46 HZ PHE 46 -16.535 1.697 -2.895 365 H ASP 47 H ASP 47 -14.383 6.888 3.074 366 HA ASP 47 HA ASP 47 -14.900 6.231 5.746 367 1HB ASP 47 2HB ASP 47 -13.532 8.617 4.503 368 2HB ASP 47 1HB ASP 47 -13.631 8.387 6.246 369 H LYS 48 H LYS 48 -16.138 8.810 3.718 370 HA LYS 48 HA LYS 48 -17.478 10.244 5.764 371 1HB LYS 48 2HB LYS 48 -16.827 10.860 3.273 372 2HB LYS 48 1HB LYS 48 -18.451 10.277 2.945 373 1HG LYS 48 2HG LYS 48 -17.664 12.538 4.764 374 2HG LYS 48 1HG LYS 48 -18.518 12.646 3.224 375 1HD LYS 48 2HD LYS 48 -20.425 11.482 4.165 376 2HD LYS 48 1HD LYS 48 -19.560 11.252 5.686 377 1HE LYS 48 2HE LYS 48 -21.132 13.099 5.854 378 2HE LYS 48 1HE LYS 48 -19.468 13.660 6.011 379 1HZ LYS 48 1HZ LYS 48 -19.518 14.399 3.726 380 2HZ LYS 48 2HZ LYS 48 -20.797 15.104 4.578 381 3HZ LYS 48 3HZ LYS 48 -21.093 13.811 3.529 382 H LYS 49 H LYS 49 -18.585 7.852 3.393 383 HA LYS 49 HA LYS 49 -21.274 7.872 4.403 384 1HB LYS 49 2HB LYS 49 -19.998 5.945 2.470 385 2HB LYS 49 1HB LYS 49 -21.719 6.179 2.732 386 1HG LYS 49 2HG LYS 49 -21.505 8.487 1.905 387 2HG LYS 49 1HG LYS 49 -19.796 8.188 1.586 388 1HD LYS 49 2HD LYS 49 -20.395 6.408 0.022 389 2HD LYS 49 1HD LYS 49 -22.107 6.689 0.350 390 1HE LYS 49 2HE LYS 49 -20.181 8.672 -0.860 391 2HE LYS 49 1HE LYS 49 -21.409 7.759 -1.735 392 1HZ LYS 49 1HZ LYS 49 -21.686 10.121 -0.094 393 2HZ LYS 49 2HZ LYS 49 -22.859 8.937 0.194 394 3HZ LYS 49 3HZ LYS 49 -22.656 9.564 -1.364 395 H TYR 50 H TYR 50 -19.099 5.108 3.977 396 HA TYR 50 HA TYR 50 -20.500 3.546 5.885 397 1HB TYR 50 2HB TYR 50 -17.826 3.073 4.565 398 2HB TYR 50 1HB TYR 50 -18.723 1.876 5.494 399 HD1 TYR 50 1HD TYR 50 -18.126 0.864 3.029 400 HD2 TYR 50 2HD TYR 50 -21.177 3.706 3.880 401 HE1 TYR 50 1HE TYR 50 -19.318 0.188 0.990 402 HE2 TYR 50 2HE TYR 50 -22.374 3.038 1.846 403 HH TYR 50 HH TYR 50 -21.765 0.252 0.182 404 H ASN 51 H ASN 51 -18.075 5.883 6.265 405 HA ASN 51 HA ASN 51 -17.356 6.751 8.299 406 1HB ASN 51 2HB ASN 51 -17.804 4.016 9.513 407 2HB ASN 51 1HB ASN 51 -17.397 5.496 10.370 408 1HD2 ASN 51 1HD2 ASN 51 -19.844 3.475 9.707 409 2HD2 ASN 51 2HD2 ASN 51 -21.183 4.558 9.843 410 HA PRO 52 HA PRO 52 -13.197 5.591 7.530 411 1HB PRO 52 2HB PRO 52 -11.951 6.878 9.574 412 2HB PRO 52 1HB PRO 52 -12.613 7.717 8.167 413 1HG PRO 52 2HG PRO 52 -13.804 7.357 10.891 414 2HG PRO 52 1HG PRO 52 -13.752 8.812 9.876 415 1HD PRO 52 2HD PRO 52 -15.953 7.252 10.057 416 2HD PRO 52 1HD PRO 52 -15.519 8.116 8.569 417 H THR 53 H THR 53 -11.532 3.413 9.845 418 HA THR 53 HA THR 53 -11.372 5.544 7.825 419 HB THR 53 HB THR 53 -9.900 5.862 9.789 420 HG1 THR 53 1HG THR 53 -8.944 6.808 8.149 421 1HG2 THR 53 1HG2 THR 53 -8.312 4.418 10.492 422 2HG2 THR 53 2HG2 THR 53 -8.095 3.702 8.895 423 3HG2 THR 53 3HG2 THR 53 -9.482 3.247 9.885 424 H TRP 54 H TRP 54 -11.083 4.950 5.795 425 HA TRP 54 HA TRP 54 -10.528 2.148 5.226 426 1HB TRP 54 2HB TRP 54 -11.488 4.363 3.423 427 2HB TRP 54 1HB TRP 54 -11.262 2.687 2.935 428 HD1 TRP 54 HD TRP 54 -13.210 4.488 5.771 429 HE1 TRP 54 1HE TRP 54 -15.514 3.365 5.966 430 HE3 TRP 54 3HE TRP 54 -12.648 0.890 2.185 431 HZ2 TRP 54 2HZ TRP 54 -16.904 1.219 4.772 432 HZ3 TRP 54 3HZ TRP 54 -14.513 -0.670 1.781 433 HH2 TRP 54 HH TRP 54 -16.593 -0.511 3.050 434 H HIS 55 H HIS 55 -8.774 1.406 4.294 435 HA HIS 55 HA HIS 55 -6.668 3.312 3.567 436 1HB HIS 55 2HB HIS 55 -6.396 0.331 4.005 437 2HB HIS 55 1HB HIS 55 -5.103 1.525 3.930 438 HD1 HIS 55 1HD HIS 55 -5.665 3.547 5.925 439 HD2 HIS 55 2HD HIS 55 -6.792 -0.397 6.567 440 HE1 HIS 55 1HE HIS 55 -5.951 3.325 8.414 441 HE2 HIS 55 2HE HIS 55 -6.704 0.948 8.771 442 H CYS 56 H CYS 56 -6.177 3.582 1.463 443 HA CYS 56 HA CYS 56 -7.227 1.585 -0.435 444 1HB CYS 56 2HB CYS 56 -6.922 4.569 -0.793 445 2HB CYS 56 1HB CYS 56 -7.403 3.454 -2.067 446 HG CYS 56 HG CYS 56 -9.532 4.528 -1.006 447 H ILE 57 H ILE 57 -5.987 0.899 -2.105 448 HA ILE 57 HA ILE 57 -3.318 2.023 -2.467 449 HB ILE 57 HB ILE 57 -3.739 -0.939 -2.058 450 1HG1 ILE 57 2HG1 ILE 57 -2.266 -0.520 -0.004 451 2HG1 ILE 57 1HG1 ILE 57 -2.679 1.180 -0.193 452 1HG2 ILE 57 1HG2 ILE 57 -1.568 0.682 -3.104 453 2HG2 ILE 57 2HG2 ILE 57 -1.848 -1.052 -3.216 454 3HG2 ILE 57 3HG2 ILE 57 -1.062 -0.381 -1.791 455 1HD1 ILE 57 1HD1 ILE 57 -4.136 -0.865 1.109 456 2HD1 ILE 57 2HD1 ILE 57 -5.086 -0.308 -0.268 457 3HD1 ILE 57 3HD1 ILE 57 -4.535 0.845 0.949 458 H VAL 58 H VAL 58 -2.504 1.741 -4.548 459 HA VAL 58 HA VAL 58 -3.836 0.013 -6.438 460 HB VAL 58 HB VAL 58 -3.938 3.003 -6.886 461 1HG1 VAL 58 1HG1 VAL 58 -5.129 2.510 -8.908 462 2HG1 VAL 58 2HG1 VAL 58 -5.138 0.785 -8.536 463 3HG1 VAL 58 3HG1 VAL 58 -3.619 1.597 -8.914 464 1HG2 VAL 58 1HG2 VAL 58 -6.117 1.050 -6.173 465 2HG2 VAL 58 2HG2 VAL 58 -6.412 2.678 -6.780 466 3HG2 VAL 58 3HG2 VAL 58 -5.583 2.448 -5.241 467 H GLY 59 H GLY 59 -2.491 -0.591 -8.016 468 1HA GLY 59 2HA GLY 59 -0.429 0.997 -9.122 469 2HA GLY 59 1HA GLY 59 0.245 -0.071 -7.901 470 H ARG 60 H ARG 60 1.311 -1.594 -9.060 471 HA ARG 60 HA ARG 60 -0.170 -3.597 -10.381 472 1HB ARG 60 2HB ARG 60 0.608 -3.299 -12.689 473 2HB ARG 60 1HB ARG 60 -0.403 -1.960 -12.159 474 1HG ARG 60 2HG ARG 60 1.580 -0.599 -11.781 475 2HG ARG 60 1HG ARG 60 2.605 -1.942 -12.290 476 1HD ARG 60 2HD ARG 60 1.537 -1.896 -14.502 477 2HD ARG 60 1HD ARG 60 0.547 -0.531 -13.987 478 HE ARG 60 HE ARG 60 3.239 0.125 -13.597 479 1HH1 ARG 60 1HH1 ARG 60 1.009 -0.478 -16.211 480 2HH1 ARG 60 2HH1 ARG 60 1.841 0.554 -17.326 481 1HH2 ARG 60 1HH2 ARG 60 4.336 1.483 -15.061 482 2HH2 ARG 60 2HH2 ARG 60 3.729 1.666 -16.673 483 H ASN 61 H ASN 61 2.026 -3.262 -8.460 484 HA ASN 61 HA ASN 61 3.437 -5.505 -8.706 485 1HB ASN 61 2HB ASN 61 5.592 -5.006 -9.711 486 2HB ASN 61 1HB ASN 61 4.306 -4.775 -10.885 487 1HD2 ASN 61 1HD2 ASN 61 6.954 -3.487 -9.387 488 2HD2 ASN 61 2HD2 ASN 61 6.805 -1.871 -9.931 489 H PHE 62 H PHE 62 3.142 -5.174 -6.497 490 HA PHE 62 HA PHE 62 5.389 -4.078 -5.118 491 1HB PHE 62 2HB PHE 62 4.217 -2.354 -3.852 492 2HB PHE 62 1HB PHE 62 4.137 -2.001 -5.578 493 HD1 PHE 62 1HD PHE 62 2.012 -3.070 -6.767 494 HD2 PHE 62 2HD PHE 62 2.281 -2.111 -2.638 495 HE1 PHE 62 1HE PHE 62 -0.440 -2.980 -6.640 496 HE2 PHE 62 2HE PHE 62 -0.173 -2.018 -2.496 497 HZ PHE 62 HZ PHE 62 -1.541 -2.453 -4.503 498 H GLY 63 H GLY 63 5.616 -4.956 -3.142 499 1HA GLY 63 2HA GLY 63 3.732 -7.001 -2.327 500 2HA GLY 63 1HA GLY 63 5.243 -6.589 -1.518 501 H SER 64 H SER 64 2.216 -6.844 -0.694 502 HA SER 64 HA SER 64 2.241 -4.335 0.847 503 1HB SER 64 2HB SER 64 0.559 -4.180 -0.925 504 2HB SER 64 1HB SER 64 -0.196 -5.665 -0.347 505 HG SER 64 HG SER 64 -1.341 -4.100 0.620 506 H TYR 65 H TYR 65 1.463 -4.341 2.906 507 HA TYR 65 HA TYR 65 0.384 -6.740 4.105 508 1HB TYR 65 2HB TYR 65 2.904 -7.007 4.167 509 2HB TYR 65 1HB TYR 65 2.954 -5.584 5.201 510 HD1 TYR 65 1HD TYR 65 0.878 -8.695 5.080 511 HD2 TYR 65 2HD TYR 65 3.328 -6.113 7.411 512 HE1 TYR 65 1HE TYR 65 0.515 -10.133 7.041 513 HE2 TYR 65 2HE TYR 65 2.971 -7.545 9.379 514 HH TYR 65 HH TYR 65 2.341 -9.809 9.920 515 H VAL 66 H VAL 66 -1.179 -6.069 5.445 516 HA VAL 66 HA VAL 66 -0.858 -3.713 7.116 517 HB VAL 66 HB VAL 66 -3.059 -3.830 5.048 518 1HG1 VAL 66 1HG1 VAL 66 -2.417 -1.890 7.239 519 2HG1 VAL 66 2HG1 VAL 66 -3.946 -2.685 6.872 520 3HG1 VAL 66 3HG1 VAL 66 -3.343 -1.401 5.822 521 1HG2 VAL 66 1HG2 VAL 66 -1.045 -3.305 3.891 522 2HG2 VAL 66 2HG2 VAL 66 -0.549 -2.165 5.144 523 3HG2 VAL 66 3HG2 VAL 66 -1.927 -1.792 4.108 524 H THR 67 H THR 67 -2.815 -3.370 8.512 525 HA THR 67 HA THR 67 -4.176 -5.931 9.053 526 HB THR 67 HB THR 67 -3.566 -3.641 10.944 527 HG1 THR 67 1HG THR 67 -1.727 -4.677 10.946 528 1HG2 THR 67 1HG2 THR 67 -4.157 -5.660 12.578 529 2HG2 THR 67 2HG2 THR 67 -5.248 -6.042 11.246 530 3HG2 THR 67 3HG2 THR 67 -5.345 -4.472 12.043 531 H HIS 68 H HIS 68 -6.433 -5.856 9.622 532 HA HIS 68 HA HIS 68 -7.892 -3.384 9.402 533 1HB HIS 68 2HB HIS 68 -9.133 -4.073 7.349 534 2HB HIS 68 1HB HIS 68 -7.427 -3.733 7.057 535 HD1 HIS 68 1HD HIS 68 -9.766 -6.673 7.506 536 HD2 HIS 68 2HD HIS 68 -5.989 -5.812 6.010 537 HE1 HIS 68 1HE HIS 68 -8.969 -8.798 6.431 538 HE2 HIS 68 2HE HIS 68 -6.636 -8.287 5.639 539 H GLU 69 H GLU 69 -10.037 -3.551 9.969 540 HA GLU 69 HA GLU 69 -10.760 -5.661 11.689 541 1HB GLU 69 2HB GLU 69 -11.605 -3.388 11.961 542 2HB GLU 69 1HB GLU 69 -12.449 -3.496 10.424 543 1HG GLU 69 2HG GLU 69 -13.967 -3.767 12.289 544 2HG GLU 69 1HG GLU 69 -13.889 -5.233 11.315 545 H THR 70 H THR 70 -12.215 -7.346 11.461 546 HA THR 70 HA THR 70 -12.327 -8.689 9.033 547 HB THR 70 HB THR 70 -14.100 -10.081 10.085 548 HG1 THR 70 1HG THR 70 -13.817 -8.315 12.281 549 1HG2 THR 70 1HG2 THR 70 -11.448 -9.803 10.944 550 2HG2 THR 70 2HG2 THR 70 -12.511 -11.201 11.120 551 3HG2 THR 70 3HG2 THR 70 -12.432 -9.985 12.395 552 H LYS 71 H LYS 71 -13.965 -9.076 7.534 553 HA LYS 71 HA LYS 71 -15.651 -8.537 6.120 554 1HB LYS 71 2HB LYS 71 -16.833 -7.460 8.676 555 2HB LYS 71 1HB LYS 71 -17.702 -7.464 7.146 556 1HG LYS 71 2HG LYS 71 -16.624 -9.901 8.548 557 2HG LYS 71 1HG LYS 71 -18.306 -9.371 8.550 558 1HD LYS 71 2HD LYS 71 -18.434 -9.662 6.145 559 2HD LYS 71 1HD LYS 71 -16.725 -10.096 6.084 560 1HE LYS 71 2HE LYS 71 -17.161 -12.070 7.432 561 2HE LYS 71 1HE LYS 71 -18.863 -11.630 7.552 562 1HZ LYS 71 1HZ LYS 71 -18.561 -13.292 5.859 563 2HZ LYS 71 2HZ LYS 71 -17.405 -12.345 5.066 564 3HZ LYS 71 3HZ LYS 71 -19.016 -11.837 5.126 565 H HIS 72 H HIS 72 -13.435 -6.863 6.273 566 HA HIS 72 HA HIS 72 -14.505 -4.521 4.984 567 1HB HIS 72 2HB HIS 72 -12.835 -4.248 7.494 568 2HB HIS 72 1HB HIS 72 -13.171 -2.932 6.375 569 HD1 HIS 72 1HD HIS 72 -15.072 -5.326 8.633 570 HD2 HIS 72 2HD HIS 72 -15.444 -1.554 6.938 571 HE1 HIS 72 1HE HIS 72 -17.175 -4.357 9.608 572 HE2 HIS 72 2HE HIS 72 -17.329 -2.037 8.639 573 H PHE 73 H PHE 73 -13.195 -6.517 3.817 574 HA PHE 73 HA PHE 73 -10.670 -5.279 3.049 575 1HB PHE 73 2HB PHE 73 -9.928 -6.872 4.681 576 2HB PHE 73 1HB PHE 73 -10.953 -8.131 4.003 577 HD1 PHE 73 1HD PHE 73 -8.394 -5.774 2.636 578 HD2 PHE 73 2HD PHE 73 -9.767 -9.786 2.979 579 HE1 PHE 73 1HE PHE 73 -6.532 -6.530 1.219 580 HE2 PHE 73 2HE PHE 73 -7.906 -10.549 1.563 581 HZ PHE 73 HZ PHE 73 -6.286 -8.919 0.679 582 H ILE 74 H ILE 74 -10.094 -5.612 0.928 583 HA ILE 74 HA ILE 74 -11.407 -7.570 -0.712 584 HB ILE 74 HB ILE 74 -13.185 -5.904 -0.621 585 1HG1 ILE 74 2HG1 ILE 74 -11.745 -5.878 -3.286 586 2HG1 ILE 74 1HG1 ILE 74 -12.830 -7.146 -2.723 587 1HG2 ILE 74 1HG2 ILE 74 -12.070 -3.901 -0.093 588 2HG2 ILE 74 2HG2 ILE 74 -12.733 -3.657 -1.709 589 3HG2 ILE 74 3HG2 ILE 74 -11.019 -4.019 -1.504 590 1HD1 ILE 74 1HD1 ILE 74 -13.457 -4.384 -3.639 591 2HD1 ILE 74 2HD1 ILE 74 -14.541 -5.203 -2.516 592 3HD1 ILE 74 3HD1 ILE 74 -14.200 -5.920 -4.090 593 H TYR 75 H TYR 75 -10.312 -7.978 -2.554 594 HA TYR 75 HA TYR 75 -8.265 -6.112 -3.486 595 1HB TYR 75 2HB TYR 75 -7.119 -7.602 -1.888 596 2HB TYR 75 1HB TYR 75 -7.692 -9.002 -2.786 597 HD1 TYR 75 1HD TYR 75 -5.985 -5.785 -3.656 598 HD2 TYR 75 2HD TYR 75 -6.046 -10.023 -4.018 599 HE1 TYR 75 1HE TYR 75 -3.973 -5.689 -5.070 600 HE2 TYR 75 2HE TYR 75 -4.037 -9.939 -5.429 601 HH TYR 75 HH TYR 75 -2.164 -8.472 -5.882 602 H PHE 76 H PHE 76 -8.103 -6.104 -5.688 603 HA PHE 76 HA PHE 76 -8.779 -8.365 -7.296 604 1HB PHE 76 2HB PHE 76 -10.782 -7.370 -8.371 605 2HB PHE 76 1HB PHE 76 -11.037 -7.757 -6.672 606 HD1 PHE 76 1HD PHE 76 -10.408 -5.692 -5.048 607 HD2 PHE 76 2HD PHE 76 -11.615 -5.389 -9.115 608 HE1 PHE 76 1HE PHE 76 -11.142 -3.380 -4.652 609 HE2 PHE 76 2HE PHE 76 -12.353 -3.074 -8.727 610 HZ PHE 76 HZ PHE 76 -12.117 -2.067 -6.492 611 H TYR 77 H TYR 77 -7.995 -8.183 -9.327 612 HA TYR 77 HA TYR 77 -6.470 -5.796 -9.957 613 1HB TYR 77 2HB TYR 77 -6.717 -8.451 -11.383 614 2HB TYR 77 1HB TYR 77 -5.671 -7.137 -11.910 615 HD1 TYR 77 1HD TYR 77 -6.355 -9.087 -8.784 616 HD2 TYR 77 2HD TYR 77 -3.457 -7.282 -11.321 617 HE1 TYR 77 1HE TYR 77 -4.564 -9.934 -7.332 618 HE2 TYR 77 2HE TYR 77 -1.657 -8.124 -9.873 619 HH TYR 77 HH TYR 77 -1.471 -10.196 -8.183 620 H LEU 78 H LEU 78 -6.763 -4.485 -11.754 621 HA LEU 78 HA LEU 78 -8.707 -4.960 -13.755 622 1HB LEU 78 2HB LEU 78 -10.259 -4.486 -11.942 623 2HB LEU 78 1HB LEU 78 -9.448 -2.969 -11.613 624 HG LEU 78 HG LEU 78 -10.150 -2.102 -13.794 625 1HD1 LEU 78 1HD1 LEU 78 -10.532 -4.808 -14.417 626 2HD1 LEU 78 2HD1 LEU 78 -10.840 -3.410 -15.446 627 3HD1 LEU 78 3HD1 LEU 78 -12.132 -4.069 -14.445 628 1HD2 LEU 78 1HD2 LEU 78 -11.969 -2.902 -11.663 629 2HD2 LEU 78 2HD2 LEU 78 -12.783 -2.656 -13.208 630 3HD2 LEU 78 3HD2 LEU 78 -11.816 -1.360 -12.504 631 H GLY 79 H GLY 79 -8.595 -3.487 -15.436 632 1HA GLY 79 2HA GLY 79 -7.577 -1.934 -16.785 633 2HA GLY 79 1HA GLY 79 -7.555 -0.908 -15.357 634 H GLN 80 H GLN 80 -5.888 -3.981 -15.826 635 HA GLN 80 HA GLN 80 -3.699 -4.556 -15.630 636 1HB GLN 80 2HB GLN 80 -3.284 -1.893 -17.001 637 2HB GLN 80 1HB GLN 80 -2.093 -3.182 -16.886 638 1HG GLN 80 2HG GLN 80 -3.542 -4.644 -18.193 639 2HG GLN 80 1HG GLN 80 -4.740 -3.356 -18.308 640 1HE2 GLN 80 1HE2 GLN 80 -4.716 -2.344 -20.169 641 2HE2 GLN 80 2HE2 GLN 80 -3.333 -2.062 -21.167 642 H VAL 81 H VAL 81 -4.836 -3.312 -13.366 643 HA VAL 81 HA VAL 81 -2.418 -2.501 -12.015 644 HB VAL 81 HB VAL 81 -3.377 -0.415 -11.088 645 1HG1 VAL 81 1HG1 VAL 81 -1.851 -0.479 -13.091 646 2HG1 VAL 81 2HG1 VAL 81 -2.847 0.969 -12.941 647 3HG1 VAL 81 3HG1 VAL 81 -3.290 -0.291 -14.094 648 1HG2 VAL 81 1HG2 VAL 81 -5.479 -0.687 -13.230 649 2HG2 VAL 81 2HG2 VAL 81 -5.319 0.612 -12.051 650 3HG2 VAL 81 3HG2 VAL 81 -5.757 -1.010 -11.519 651 H ALA 82 H ALA 82 -2.422 -3.231 -9.985 652 HA ALA 82 HA ALA 82 -4.608 -4.770 -9.023 653 1HB ALA 82 1HB ALA 82 -1.961 -4.812 -8.550 654 2HB ALA 82 2HB ALA 82 -3.154 -5.570 -7.494 655 3HB ALA 82 3HB ALA 82 -2.517 -3.972 -7.102 656 H ILE 83 H ILE 83 -6.218 -4.270 -7.678 657 HA ILE 83 HA ILE 83 -6.207 -1.591 -6.447 658 HB ILE 83 HB ILE 83 -8.602 -3.184 -7.382 659 1HG1 ILE 83 2HG1 ILE 83 -7.349 -0.663 -8.493 660 2HG1 ILE 83 1HG1 ILE 83 -7.295 -2.255 -9.243 661 1HG2 ILE 83 1HG2 ILE 83 -9.814 -1.033 -6.905 662 2HG2 ILE 83 2HG2 ILE 83 -8.365 -0.489 -6.060 663 3HG2 ILE 83 3HG2 ILE 83 -9.242 -1.905 -5.483 664 1HD1 ILE 83 1HD1 ILE 83 -9.886 -0.872 -8.652 665 2HD1 ILE 83 2HD1 ILE 83 -9.574 -2.205 -9.763 666 3HD1 ILE 83 3HD1 ILE 83 -8.984 -0.587 -10.141 667 H LEU 84 H LEU 84 -6.469 -1.473 -4.302 668 HA LEU 84 HA LEU 84 -7.530 -3.798 -2.866 669 1HB LEU 84 2HB LEU 84 -5.083 -3.969 -2.848 670 2HB LEU 84 1HB LEU 84 -4.974 -2.357 -2.170 671 HG LEU 84 HG LEU 84 -6.117 -3.138 -0.134 672 1HD1 LEU 84 1HD1 LEU 84 -7.209 -5.066 -0.040 673 2HD1 LEU 84 2HD1 LEU 84 -5.774 -5.961 -0.541 674 3HD1 LEU 84 3HD1 LEU 84 -6.866 -5.296 -1.754 675 1HD2 LEU 84 1HD2 LEU 84 -4.207 -4.959 0.357 676 2HD2 LEU 84 2HD2 LEU 84 -3.904 -3.222 0.320 677 3HD2 LEU 84 3HD2 LEU 84 -3.539 -4.210 -1.095 678 H LEU 85 H LEU 85 -8.626 -3.333 -0.984 679 HA LEU 85 HA LEU 85 -8.627 -0.653 0.101 680 1HB LEU 85 2HB LEU 85 -10.195 -0.421 -1.749 681 2HB LEU 85 1HB LEU 85 -11.098 -1.815 -1.185 682 HG LEU 85 HG LEU 85 -11.734 -0.595 0.846 683 1HD1 LEU 85 1HD1 LEU 85 -10.397 1.058 1.505 684 2HD1 LEU 85 2HD1 LEU 85 -11.196 2.054 0.287 685 3HD1 LEU 85 3HD1 LEU 85 -9.687 1.231 -0.100 686 1HD2 LEU 85 1HD2 LEU 85 -12.309 0.855 -1.734 687 2HD2 LEU 85 2HD2 LEU 85 -13.206 1.069 -0.230 688 3HD2 LEU 85 3HD2 LEU 85 -13.221 -0.491 -1.051 689 H PHE 86 H PHE 86 -9.386 -0.548 2.186 690 HA PHE 86 HA PHE 86 -11.026 -2.406 3.464 691 1HB PHE 86 2HB PHE 86 -9.371 -3.665 4.817 692 2HB PHE 86 1HB PHE 86 -9.268 -4.042 3.103 693 HD1 PHE 86 1HD PHE 86 -7.717 -1.875 5.700 694 HD2 PHE 86 2HD PHE 86 -7.225 -3.991 2.044 695 HE1 PHE 86 1HE PHE 86 -5.311 -1.363 5.732 696 HE2 PHE 86 2HE PHE 86 -4.817 -3.488 2.071 697 HZ PHE 86 HZ PHE 86 -3.857 -2.172 3.917 698 H LYS 87 H LYS 87 -11.720 -1.492 5.307 699 HA LYS 87 HA LYS 87 -10.213 0.816 6.281 700 1HB LYS 87 2HB LYS 87 -12.248 1.638 7.221 701 2HB LYS 87 1HB LYS 87 -12.576 1.121 5.583 702 1HG LYS 87 2HG LYS 87 -14.397 0.286 6.671 703 2HG LYS 87 1HG LYS 87 -13.312 -1.100 6.723 704 1HD LYS 87 2HD LYS 87 -14.343 -0.781 8.889 705 2HD LYS 87 1HD LYS 87 -12.621 -0.435 9.000 706 1HE LYS 87 2HE LYS 87 -13.073 1.952 8.883 707 2HE LYS 87 1HE LYS 87 -14.797 1.629 8.703 708 1HZ LYS 87 1HZ LYS 87 -13.642 2.139 11.035 709 2HZ LYS 87 2HZ LYS 87 -13.507 0.453 11.028 710 3HZ LYS 87 3HZ LYS 87 -15.028 1.180 10.885 711 H SER 88 H SER 88 -10.525 1.289 8.665 712 HA SER 88 HA SER 88 -10.395 -1.153 10.281 713 1HB SER 88 2HB SER 88 -8.073 -0.609 9.689 714 2HB SER 88 1HB SER 88 -8.293 1.026 10.314 715 HG SER 88 HG SER 88 -7.283 -0.439 11.812 716 H GLY 89 H GLY 89 -11.236 -0.960 12.280 717 1HA GLY 89 2HA GLY 89 -12.940 1.184 12.882 718 2HA GLY 89 1HA GLY 89 -12.427 -0.053 14.021 719 1H MET 1 1HT MET 1 30.644 -3.973 9.471 720 2H MET 1 2HT MET 1 29.250 -4.488 8.614 721 3H MET 1 3HT MET 1 30.427 -5.633 9.108 722 HA MET 1 HA MET 1 28.501 -5.712 10.498 723 1HB MET 1 2HB MET 1 30.983 -4.567 11.799 724 2HB MET 1 1HB MET 1 29.721 -5.457 12.638 725 1HG MET 1 2HG MET 1 30.219 -7.430 11.271 726 2HG MET 1 1HG MET 1 31.505 -6.532 10.465 727 1HE MET 1 1HE MET 1 33.711 -5.650 11.743 728 2HE MET 1 2HE MET 1 33.955 -5.855 13.478 729 3HE MET 1 3HE MET 1 32.652 -4.824 12.887 730 H CYS 2 H CYS 2 27.750 -3.421 9.214 731 HA CYS 2 HA CYS 2 26.360 -2.011 11.191 732 1HB CYS 2 2HB CYS 2 27.459 0.190 11.059 733 2HB CYS 2 1HB CYS 2 28.525 -1.029 11.750 734 HG CYS 2 HG CYS 2 29.063 0.564 9.249 735 H ASP 3 H ASP 3 25.627 -3.202 8.835 736 HA ASP 3 HA ASP 3 25.486 -1.545 6.585 737 1HB ASP 3 2HB ASP 3 23.602 -2.972 5.879 738 2HB ASP 3 1HB ASP 3 24.952 -3.928 6.484 739 H ARG 4 H ARG 4 24.225 0.133 6.023 740 HA ARG 4 HA ARG 4 21.659 0.682 7.025 741 1HB ARG 4 2HB ARG 4 23.122 1.116 9.080 742 2HB ARG 4 1HB ARG 4 23.761 2.498 8.209 743 1HG ARG 4 2HG ARG 4 20.856 2.090 8.893 744 2HG ARG 4 1HG ARG 4 21.986 3.081 9.815 745 1HD ARG 4 2HD ARG 4 22.374 4.405 7.710 746 2HD ARG 4 1HD ARG 4 21.033 3.513 6.995 747 HE ARG 4 HE ARG 4 20.155 4.606 9.406 748 1HH1 ARG 4 1HH1 ARG 4 21.184 5.664 6.243 749 2HH1 ARG 4 2HH1 ARG 4 20.214 7.098 6.270 750 1HH2 ARG 4 1HH2 ARG 4 18.878 6.493 9.441 751 2HH2 ARG 4 2HH2 ARG 4 18.905 7.569 8.086 752 H LYS 5 H LYS 5 20.716 1.951 5.559 753 HA LYS 5 HA LYS 5 21.981 4.218 4.396 754 1HB LYS 5 2HB LYS 5 22.047 3.443 2.072 755 2HB LYS 5 1HB LYS 5 23.119 2.498 3.089 756 1HG LYS 5 2HG LYS 5 20.362 1.609 2.283 757 2HG LYS 5 1HG LYS 5 21.830 1.184 1.407 758 1HD LYS 5 2HD LYS 5 21.205 0.498 4.282 759 2HD LYS 5 1HD LYS 5 21.162 -0.609 2.913 760 1HE LYS 5 2HE LYS 5 23.600 0.837 3.945 761 2HE LYS 5 1HE LYS 5 23.222 -0.867 4.190 762 1HZ LYS 5 1HZ LYS 5 23.740 0.448 1.577 763 2HZ LYS 5 2HZ LYS 5 23.328 -1.179 1.782 764 3HZ LYS 5 3HZ LYS 5 24.793 -0.595 2.395 765 H ALA 6 H ALA 6 20.160 3.501 1.882 766 HA ALA 6 HA ALA 6 17.994 3.815 1.234 767 1HB ALA 6 1HB ALA 6 17.188 3.713 4.133 768 2HB ALA 6 2HB ALA 6 17.473 2.270 3.159 769 3HB ALA 6 3HB ALA 6 16.189 3.396 2.715 770 H VAL 7 H VAL 7 17.081 5.697 0.614 771 HA VAL 7 HA VAL 7 17.794 8.088 2.111 772 HB VAL 7 HB VAL 7 16.945 9.300 0.159 773 1HG1 VAL 7 1HG1 VAL 7 18.683 8.073 -1.481 774 2HG1 VAL 7 2HG1 VAL 7 19.153 7.350 0.058 775 3HG1 VAL 7 3HG1 VAL 7 19.179 9.103 -0.139 776 1HG2 VAL 7 1HG2 VAL 7 16.600 6.590 -1.105 777 2HG2 VAL 7 2HG2 VAL 7 16.308 8.154 -1.864 778 3HG2 VAL 7 3HG2 VAL 7 15.278 7.611 -0.540 779 H ILE 8 H ILE 8 16.385 9.410 3.095 780 HA ILE 8 HA ILE 8 13.717 8.408 3.578 781 HB ILE 8 HB ILE 8 15.068 9.373 5.418 782 1HG1 ILE 8 2HG1 ILE 8 13.206 10.896 6.275 783 2HG1 ILE 8 1HG1 ILE 8 12.419 10.635 4.720 784 1HG2 ILE 8 1HG2 ILE 8 15.354 11.536 3.577 785 2HG2 ILE 8 2HG2 ILE 8 16.142 11.293 5.136 786 3HG2 ILE 8 3HG2 ILE 8 14.592 12.129 5.053 787 1HD1 ILE 8 1HD1 ILE 8 12.607 8.153 5.244 788 2HD1 ILE 8 2HD1 ILE 8 11.429 9.096 6.154 789 3HD1 ILE 8 3HD1 ILE 8 12.968 8.655 6.894 790 H LYS 9 H LYS 9 11.792 9.379 3.023 791 HA LYS 9 HA LYS 9 12.001 11.465 0.957 792 1HB LYS 9 2HB LYS 9 9.858 9.372 1.333 793 2HB LYS 9 1HB LYS 9 9.875 10.598 0.073 794 1HG LYS 9 2HG LYS 9 11.894 8.395 0.433 795 2HG LYS 9 1HG LYS 9 10.623 8.466 -0.788 796 1HD LYS 9 2HD LYS 9 12.913 10.409 -0.502 797 2HD LYS 9 1HD LYS 9 12.784 9.135 -1.717 798 1HE LYS 9 2HE LYS 9 10.767 10.196 -2.608 799 2HE LYS 9 1HE LYS 9 10.902 11.470 -1.396 800 1HZ LYS 9 1HZ LYS 9 12.414 11.072 -3.844 801 2HZ LYS 9 2HZ LYS 9 13.311 11.595 -2.510 802 3HZ LYS 9 3HZ LYS 9 11.992 12.505 -3.050 803 H ASN 10 H ASN 10 10.113 10.385 3.758 804 HA ASN 10 HA ASN 10 9.012 13.120 3.913 805 1HB ASN 10 2HB ASN 10 7.649 10.536 4.688 806 2HB ASN 10 1HB ASN 10 6.994 12.146 4.970 807 1HD2 ASN 10 1HD2 ASN 10 6.733 9.580 3.039 808 2HD2 ASN 10 2HD2 ASN 10 6.216 10.335 1.573 809 H ALA 11 H ALA 11 9.709 10.237 5.895 810 HA ALA 11 HA ALA 11 10.515 10.020 8.014 811 1HB ALA 11 1HB ALA 11 11.459 12.654 8.585 812 2HB ALA 11 2HB ALA 11 11.878 12.238 6.923 813 3HB ALA 11 3HB ALA 11 12.386 11.191 8.249 814 H ASP 12 H ASP 12 9.416 9.988 9.885 815 HA ASP 12 HA ASP 12 8.276 12.193 11.176 816 1HB ASP 12 2HB ASP 12 6.712 12.119 9.225 817 2HB ASP 12 1HB ASP 12 6.224 10.505 9.729 818 H MET 13 H MET 13 9.718 10.576 12.428 819 HA MET 13 HA MET 13 8.150 9.329 14.390 820 1HB MET 13 2HB MET 13 7.786 7.664 12.592 821 2HB MET 13 1HB MET 13 9.522 7.401 12.507 822 1HG MET 13 2HG MET 13 9.490 6.638 14.847 823 2HG MET 13 1HG MET 13 7.739 6.831 14.862 824 1HE MET 13 1HE MET 13 6.736 4.246 12.030 825 2HE MET 13 2HE MET 13 6.892 6.003 12.074 826 3HE MET 13 3HE MET 13 6.047 5.159 13.371 827 H SER 14 H SER 14 9.416 8.456 16.117 828 HA SER 14 HA SER 14 11.666 9.786 16.827 829 1HB SER 14 2HB SER 14 11.012 6.920 17.545 830 2HB SER 14 1HB SER 14 12.148 7.952 18.414 831 HG SER 14 HG SER 14 9.355 8.342 18.113 832 H GLU 15 H GLU 15 13.847 9.623 16.611 833 HA GLU 15 HA GLU 15 14.985 8.707 14.286 834 1HB GLU 15 2HB GLU 15 16.334 9.039 16.963 835 2HB GLU 15 1HB GLU 15 17.161 8.941 15.415 836 1HG GLU 15 2HG GLU 15 16.046 10.990 14.689 837 2HG GLU 15 1HG GLU 15 15.221 11.087 16.244 838 H GLU 16 H GLU 16 15.021 7.062 17.424 839 HA GLU 16 HA GLU 16 16.507 4.837 16.643 840 1HB GLU 16 2HB GLU 16 15.535 3.704 18.597 841 2HB GLU 16 1HB GLU 16 16.061 5.337 18.982 842 1HG GLU 16 2HG GLU 16 13.755 6.122 18.822 843 2HG GLU 16 1HG GLU 16 13.226 4.486 18.433 844 H MET 17 H MET 17 13.008 5.357 16.551 845 HA MET 17 HA MET 17 12.365 2.756 15.683 846 1HB MET 17 2HB MET 17 10.838 5.319 15.219 847 2HB MET 17 1HB MET 17 10.191 3.692 15.065 848 1HG MET 17 2HG MET 17 10.564 3.313 17.445 849 2HG MET 17 1HG MET 17 11.217 4.943 17.601 850 1HE MET 17 1HE MET 17 7.998 4.096 19.388 851 2HE MET 17 2HE MET 17 8.437 5.798 19.530 852 3HE MET 17 3HE MET 17 9.694 4.560 19.530 853 H GLN 18 H GLN 18 12.928 5.761 13.882 854 HA GLN 18 HA GLN 18 12.409 4.617 11.352 855 1HB GLN 18 2HB GLN 18 13.579 6.615 10.443 856 2HB GLN 18 1HB GLN 18 12.292 6.993 11.578 857 1HG GLN 18 2HG GLN 18 13.989 7.293 13.341 858 2HG GLN 18 1HG GLN 18 15.245 7.020 12.136 859 1HE2 GLN 18 1HE2 GLN 18 13.259 9.279 13.617 860 2HE2 GLN 18 2HE2 GLN 18 13.571 10.617 12.578 861 H GLN 19 H GLN 19 15.385 4.966 13.242 862 HA GLN 19 HA GLN 19 17.046 4.012 11.117 863 1HB GLN 19 2HB GLN 19 18.824 3.893 12.765 864 2HB GLN 19 1HB GLN 19 17.950 5.408 12.930 865 1HG GLN 19 2HG GLN 19 16.787 4.579 14.860 866 2HG GLN 19 1HG GLN 19 17.516 2.989 14.661 867 1HE2 GLN 19 1HE2 GLN 19 17.804 6.012 16.111 868 2HE2 GLN 19 2HE2 GLN 19 19.418 5.854 16.704 869 H ASP 20 H ASP 20 15.386 2.542 13.846 870 HA ASP 20 HA ASP 20 16.563 -0.037 13.535 871 1HB ASP 20 2HB ASP 20 15.524 0.671 15.653 872 2HB ASP 20 1HB ASP 20 13.955 0.755 14.857 873 H SER 21 H SER 21 13.727 1.562 12.233 874 HA SER 21 HA SER 21 12.564 -0.752 11.070 875 1HB SER 21 2HB SER 21 12.269 2.161 10.283 876 2HB SER 21 1HB SER 21 11.228 0.847 9.741 877 HG SER 21 HG SER 21 10.433 0.628 11.771 878 H VAL 22 H VAL 22 14.718 1.780 9.847 879 HA VAL 22 HA VAL 22 14.894 0.826 7.202 880 HB VAL 22 HB VAL 22 16.967 2.384 8.754 881 1HG1 VAL 22 1HG1 VAL 22 18.172 2.575 6.884 882 2HG1 VAL 22 2HG1 VAL 22 16.745 2.868 5.890 883 3HG1 VAL 22 3HG1 VAL 22 17.226 1.216 6.278 884 1HG2 VAL 22 1HG2 VAL 22 15.805 4.284 8.424 885 2HG2 VAL 22 2HG2 VAL 22 14.425 3.191 8.307 886 3HG2 VAL 22 3HG2 VAL 22 15.217 3.774 6.843 887 H GLU 23 H GLU 23 16.928 0.288 10.049 888 HA GLU 23 HA GLU 23 18.778 -1.422 8.766 889 1HB GLU 23 2HB GLU 23 19.298 -0.289 10.873 890 2HB GLU 23 1HB GLU 23 18.029 -1.193 11.687 891 1HG GLU 23 2HG GLU 23 19.233 -3.268 11.260 892 2HG GLU 23 1HG GLU 23 20.504 -2.361 10.445 893 H CYS 24 H CYS 24 15.847 -1.967 10.638 894 HA CYS 24 HA CYS 24 15.948 -4.777 10.698 895 1HB CYS 24 2HB CYS 24 14.468 -3.478 12.159 896 2HB CYS 24 1HB CYS 24 13.538 -2.948 10.761 897 HG CYS 24 HG CYS 24 13.602 -5.979 11.373 898 H ALA 25 H ALA 25 14.772 -2.517 8.285 899 HA ALA 25 HA ALA 25 13.393 -4.432 6.701 900 1HB ALA 25 1HB ALA 25 14.431 -2.150 5.226 901 2HB ALA 25 2HB ALA 25 13.608 -1.678 6.713 902 3HB ALA 25 3HB ALA 25 12.763 -2.650 5.508 903 H THR 26 H THR 26 16.649 -3.122 6.772 904 HA THR 26 HA THR 26 17.566 -4.252 4.384 905 HB THR 26 HB THR 26 19.117 -3.580 6.888 906 HG1 THR 26 1HG THR 26 19.292 -1.591 6.074 907 1HG2 THR 26 1HG2 THR 26 20.647 -4.801 5.658 908 2HG2 THR 26 2HG2 THR 26 20.951 -3.142 5.145 909 3HG2 THR 26 3HG2 THR 26 20.017 -4.226 4.114 910 H GLN 27 H GLN 27 17.687 -5.409 7.718 911 HA GLN 27 HA GLN 27 19.061 -7.805 7.247 912 1HB GLN 27 2HB GLN 27 16.976 -7.202 9.356 913 2HB GLN 27 1HB GLN 27 18.092 -8.559 9.388 914 1HG GLN 27 2HG GLN 27 19.976 -7.012 9.508 915 2HG GLN 27 1HG GLN 27 18.858 -5.651 9.472 916 1HE2 GLN 27 1HE2 GLN 27 20.712 -7.448 11.446 917 2HE2 GLN 27 2HE2 GLN 27 19.857 -7.250 12.935 918 H ALA 28 H ALA 28 15.630 -6.999 7.115 919 HA ALA 28 HA ALA 28 14.577 -9.565 6.792 920 1HB ALA 28 1HB ALA 28 12.736 -8.306 5.521 921 2HB ALA 28 2HB ALA 28 13.650 -6.851 5.913 922 3HB ALA 28 3HB ALA 28 13.023 -7.875 7.205 923 H LEU 29 H LEU 29 15.720 -7.236 4.359 924 HA LEU 29 HA LEU 29 15.094 -8.719 2.081 925 1HB LEU 29 2HB LEU 29 17.205 -6.667 2.651 926 2HB LEU 29 1HB LEU 29 17.079 -7.431 1.074 927 HG LEU 29 HG LEU 29 14.786 -5.983 2.374 928 1HD1 LEU 29 1HD1 LEU 29 15.523 -4.315 0.419 929 2HD1 LEU 29 2HD1 LEU 29 17.109 -4.958 0.850 930 3HD1 LEU 29 3HD1 LEU 29 16.117 -4.165 2.074 931 1HD2 LEU 29 1HD2 LEU 29 13.828 -7.248 0.734 932 2HD2 LEU 29 2HD2 LEU 29 15.292 -7.281 -0.249 933 3HD2 LEU 29 3HD2 LEU 29 14.285 -5.833 -0.214 934 H GLU 30 H GLU 30 17.977 -8.719 4.110 935 HA GLU 30 HA GLU 30 19.494 -10.518 2.552 936 1HB GLU 30 2HB GLU 30 19.629 -9.969 5.522 937 2HB GLU 30 1HB GLU 30 20.857 -10.813 4.589 938 1HG GLU 30 2HG GLU 30 21.241 -8.797 3.266 939 2HG GLU 30 1HG GLU 30 20.010 -7.952 4.204 940 H LYS 31 H LYS 31 16.958 -10.993 4.891 941 HA LYS 31 HA LYS 31 17.512 -13.785 5.276 942 1HB LYS 31 2HB LYS 31 15.195 -12.047 6.111 943 2HB LYS 31 1HB LYS 31 15.331 -13.753 6.517 944 1HG LYS 31 2HG LYS 31 17.365 -13.327 7.760 945 2HG LYS 31 1HG LYS 31 17.313 -11.625 7.298 946 1HD LYS 31 2HD LYS 31 15.248 -11.319 8.516 947 2HD LYS 31 1HD LYS 31 15.184 -13.040 8.900 948 1HE LYS 31 2HE LYS 31 16.001 -11.739 10.797 949 2HE LYS 31 1HE LYS 31 17.240 -12.838 10.195 950 1HZ LYS 31 1HZ LYS 31 17.398 -10.067 10.514 951 2HZ LYS 31 2HZ LYS 31 17.494 -10.387 8.856 952 3HZ LYS 31 3HZ LYS 31 18.585 -11.119 9.922 953 H TYR 32 H TYR 32 15.024 -11.906 3.575 954 HA TYR 32 HA TYR 32 14.395 -14.365 2.090 955 1HB TYR 32 2HB TYR 32 12.485 -12.126 2.768 956 2HB TYR 32 1HB TYR 32 12.099 -13.526 1.778 957 HD1 TYR 32 1HD TYR 32 12.806 -12.361 5.191 958 HD2 TYR 32 2HD TYR 32 11.653 -15.667 2.777 959 HE1 TYR 32 1HE TYR 32 12.111 -13.587 7.214 960 HE2 TYR 32 2HE TYR 32 10.959 -16.902 4.787 961 HH TYR 32 HH TYR 32 10.584 -15.430 7.810 962 H ASN 33 H ASN 33 14.680 -10.856 1.913 963 HA ASN 33 HA ASN 33 15.213 -9.466 0.189 964 1HB ASN 33 2HB ASN 33 16.974 -11.110 -0.367 965 2HB ASN 33 1HB ASN 33 15.816 -12.016 -1.335 966 1HD2 ASN 33 1HD2 ASN 33 16.008 -11.679 -3.414 967 2HD2 ASN 33 2HD2 ASN 33 16.508 -10.210 -4.172 968 H ILE 34 H ILE 34 12.610 -9.918 0.634 969 HA ILE 34 HA ILE 34 11.469 -9.686 -2.046 970 HB ILE 34 HB ILE 34 10.308 -11.490 0.084 971 1HG1 ILE 34 2HG1 ILE 34 11.498 -12.134 -2.623 972 2HG1 ILE 34 1HG1 ILE 34 12.238 -12.484 -1.065 973 1HG2 ILE 34 1HG2 ILE 34 8.422 -10.701 -0.949 974 2HG2 ILE 34 2HG2 ILE 34 8.812 -12.062 -2.001 975 3HG2 ILE 34 3HG2 ILE 34 9.248 -10.423 -2.484 976 1HD1 ILE 34 1HD1 ILE 34 9.579 -13.602 -1.897 977 2HD1 ILE 34 2HD1 ILE 34 10.602 -14.106 -0.552 978 3HD1 ILE 34 3HD1 ILE 34 11.114 -14.412 -2.210 979 H GLU 35 H GLU 35 10.005 -8.093 -2.186 980 HA GLU 35 HA GLU 35 9.724 -6.100 -0.348 981 1HB GLU 35 2HB GLU 35 7.550 -6.940 -2.269 982 2HB GLU 35 1HB GLU 35 7.798 -5.338 -1.592 983 1HG GLU 35 2HG GLU 35 9.624 -6.765 -3.509 984 2HG GLU 35 1HG GLU 35 8.552 -5.420 -3.883 985 H LYS 36 H LYS 36 7.438 -8.772 -0.837 986 HA LYS 36 HA LYS 36 5.582 -8.093 1.119 987 1HB LYS 36 2HB LYS 36 5.215 -9.821 -0.582 988 2HB LYS 36 1HB LYS 36 6.415 -10.845 0.192 989 1HG LYS 36 2HG LYS 36 4.962 -10.806 2.247 990 2HG LYS 36 1HG LYS 36 3.724 -10.032 1.252 991 1HD LYS 36 2HD LYS 36 3.320 -12.410 1.329 992 2HD LYS 36 1HD LYS 36 3.823 -11.952 -0.297 993 1HE LYS 36 2HE LYS 36 6.083 -12.728 0.168 994 2HE LYS 36 1HE LYS 36 5.613 -13.148 1.814 995 1HZ LYS 36 1HZ LYS 36 5.666 -14.988 0.062 996 2HZ LYS 36 2HZ LYS 36 4.219 -14.323 -0.507 997 3HZ LYS 36 3HZ LYS 36 4.315 -14.905 1.079 998 H ASP 37 H ASP 37 8.236 -10.452 1.402 999 HA ASP 37 HA ASP 37 7.931 -11.123 4.057 1000 1HB ASP 37 2HB ASP 37 10.502 -10.910 2.485 1001 2HB ASP 37 1HB ASP 37 10.316 -11.773 4.010 1002 H ILE 38 H ILE 38 9.806 -8.403 2.729 1003 HA ILE 38 HA ILE 38 11.109 -7.522 4.977 1004 HB ILE 38 HB ILE 38 9.781 -5.825 2.858 1005 1HG1 ILE 38 2HG1 ILE 38 12.650 -6.733 3.172 1006 2HG1 ILE 38 1HG1 ILE 38 11.489 -7.419 2.042 1007 1HG2 ILE 38 1HG2 ILE 38 10.187 -4.455 4.803 1008 2HG2 ILE 38 2HG2 ILE 38 11.371 -4.061 3.557 1009 3HG2 ILE 38 3HG2 ILE 38 11.838 -5.066 4.930 1010 1HD1 ILE 38 1HD1 ILE 38 13.124 -5.045 1.815 1011 2HD1 ILE 38 2HD1 ILE 38 11.422 -4.723 1.480 1012 3HD1 ILE 38 3HD1 ILE 38 12.281 -5.964 0.568 1013 H ALA 39 H ALA 39 7.754 -6.893 4.064 1014 HA ALA 39 HA ALA 39 7.127 -5.153 6.179 1015 1HB ALA 39 1HB ALA 39 5.781 -5.516 4.092 1016 2HB ALA 39 2HB ALA 39 4.848 -5.476 5.588 1017 3HB ALA 39 3HB ALA 39 5.201 -7.019 4.811 1018 H ALA 40 H ALA 40 7.167 -8.656 5.942 1019 HA ALA 40 HA ALA 40 5.711 -9.225 8.285 1020 1HB ALA 40 1HB ALA 40 6.375 -10.812 6.402 1021 2HB ALA 40 2HB ALA 40 6.439 -11.439 8.048 1022 3HB ALA 40 3HB ALA 40 7.924 -10.956 7.231 1023 H HIS 41 H HIS 41 9.185 -8.820 7.718 1024 HA HIS 41 HA HIS 41 10.026 -9.430 10.334 1025 1HB HIS 41 2HB HIS 41 11.246 -7.910 8.059 1026 2HB HIS 41 1HB HIS 41 12.049 -7.969 9.624 1027 HD1 HIS 41 1HD HIS 41 12.290 -10.615 10.521 1028 HD2 HIS 41 2HD HIS 41 12.031 -9.901 6.440 1029 HE1 HIS 41 1HE HIS 41 13.279 -12.645 9.425 1030 HE2 HIS 41 2HE HIS 41 13.336 -12.072 6.977 1031 H ILE 42 H ILE 42 9.750 -6.243 8.769 1032 HA ILE 42 HA ILE 42 10.249 -4.754 11.095 1033 HB ILE 42 HB ILE 42 8.787 -3.902 8.597 1034 1HG1 ILE 42 2HG1 ILE 42 11.708 -3.694 9.361 1035 2HG1 ILE 42 1HG1 ILE 42 11.036 -4.782 8.149 1036 1HG2 ILE 42 1HG2 ILE 42 10.088 -1.703 9.598 1037 2HG2 ILE 42 2HG2 ILE 42 9.493 -2.497 11.054 1038 3HG2 ILE 42 3HG2 ILE 42 8.367 -2.047 9.774 1039 1HD1 ILE 42 1HD1 ILE 42 11.190 -3.217 6.600 1040 2HD1 ILE 42 2HD1 ILE 42 12.004 -2.187 7.780 1041 3HD1 ILE 42 3HD1 ILE 42 10.254 -2.088 7.580 1042 H LYS 43 H LYS 43 7.162 -5.662 9.573 1043 HA LYS 43 HA LYS 43 5.531 -4.143 11.286 1044 1HB LYS 43 2HB LYS 43 4.865 -5.170 9.089 1045 2HB LYS 43 1HB LYS 43 4.766 -6.719 9.911 1046 1HG LYS 43 2HG LYS 43 3.163 -4.313 10.736 1047 2HG LYS 43 1HG LYS 43 2.592 -5.510 9.576 1048 1HD LYS 43 2HD LYS 43 2.926 -7.257 11.333 1049 2HD LYS 43 1HD LYS 43 3.291 -5.963 12.473 1050 1HE LYS 43 2HE LYS 43 0.968 -6.655 12.667 1051 2HE LYS 43 1HE LYS 43 1.087 -4.992 12.094 1052 1HZ LYS 43 1HZ LYS 43 0.491 -5.618 9.942 1053 2HZ LYS 43 2HZ LYS 43 -0.554 -6.512 10.927 1054 3HZ LYS 43 3HZ LYS 43 0.789 -7.260 10.221 1055 H LYS 44 H LYS 44 6.183 -7.662 11.393 1056 HA LYS 44 HA LYS 44 4.797 -8.111 13.779 1057 1HB LYS 44 2HB LYS 44 7.124 -9.659 12.632 1058 2HB LYS 44 1HB LYS 44 6.048 -10.236 13.898 1059 1HG LYS 44 2HG LYS 44 4.163 -10.134 12.351 1060 2HG LYS 44 1HG LYS 44 5.237 -9.545 11.081 1061 1HD LYS 44 2HD LYS 44 6.530 -11.619 11.210 1062 2HD LYS 44 1HD LYS 44 5.460 -12.207 12.485 1063 1HE LYS 44 2HE LYS 44 4.645 -11.535 9.660 1064 2HE LYS 44 1HE LYS 44 4.873 -13.157 10.309 1065 1HZ LYS 44 1HZ LYS 44 3.071 -12.758 11.862 1066 2HZ LYS 44 2HZ LYS 44 2.537 -12.522 10.274 1067 3HZ LYS 44 3HZ LYS 44 2.863 -11.188 11.263 1068 H GLU 45 H GLU 45 8.309 -7.667 13.321 1069 HA GLU 45 HA GLU 45 9.059 -7.944 15.975 1070 1HB GLU 45 2HB GLU 45 10.262 -6.196 13.828 1071 2HB GLU 45 1HB GLU 45 11.032 -6.530 15.372 1072 1HG GLU 45 2HG GLU 45 10.280 -8.618 13.339 1073 2HG GLU 45 1HG GLU 45 11.889 -7.922 13.530 1074 H PHE 46 H PHE 46 8.100 -4.976 14.270 1075 HA PHE 46 HA PHE 46 8.409 -3.343 16.582 1076 1HB PHE 46 2HB PHE 46 7.108 -2.870 13.913 1077 2HB PHE 46 1HB PHE 46 7.131 -1.652 15.185 1078 HD1 PHE 46 1HD PHE 46 9.617 -4.002 13.664 1079 HD2 PHE 46 2HD PHE 46 8.707 -0.032 14.891 1080 HE1 PHE 46 1HE PHE 46 11.845 -3.268 12.927 1081 HE2 PHE 46 2HE PHE 46 10.934 0.710 14.157 1082 HZ PHE 46 HZ PHE 46 12.507 -0.909 13.174 1083 H ASP 47 H ASP 47 5.612 -4.881 15.036 1084 HA ASP 47 HA ASP 47 3.638 -3.666 16.614 1085 1HB ASP 47 2HB ASP 47 3.748 -6.257 15.104 1086 2HB ASP 47 1HB ASP 47 2.353 -5.870 16.105 1087 H LYS 48 H LYS 48 5.611 -6.525 17.169 1088 HA LYS 48 HA LYS 48 4.273 -7.337 19.534 1089 1HB LYS 48 2HB LYS 48 5.562 -8.926 18.256 1090 2HB LYS 48 1HB LYS 48 7.021 -7.965 18.454 1091 1HG LYS 48 2HG LYS 48 7.034 -9.903 19.910 1092 2HG LYS 48 1HG LYS 48 7.003 -8.407 20.841 1093 1HD LYS 48 2HD LYS 48 5.479 -10.061 21.792 1094 2HD LYS 48 1HD LYS 48 4.596 -8.662 21.177 1095 1HE LYS 48 2HE LYS 48 3.475 -10.744 20.574 1096 2HE LYS 48 1HE LYS 48 4.050 -9.893 19.140 1097 1HZ LYS 48 1HZ LYS 48 5.961 -11.377 19.078 1098 2HZ LYS 48 2HZ LYS 48 4.516 -12.252 19.000 1099 3HZ LYS 48 3HZ LYS 48 5.395 -12.199 20.445 1100 H LYS 49 H LYS 49 7.199 -5.444 18.914 1101 HA LYS 49 HA LYS 49 7.712 -5.056 21.723 1102 1HB LYS 49 2HB LYS 49 8.987 -3.715 19.342 1103 2HB LYS 49 1HB LYS 49 9.594 -3.700 20.991 1104 1HG LYS 49 2HG LYS 49 9.913 -6.124 20.889 1105 2HG LYS 49 1HG LYS 49 9.325 -6.121 19.226 1106 1HD LYS 49 2HD LYS 49 11.765 -6.161 19.292 1107 2HD LYS 49 1HD LYS 49 11.174 -4.666 18.567 1108 1HE LYS 49 2HE LYS 49 13.022 -4.244 20.112 1109 2HE LYS 49 1HE LYS 49 11.531 -3.488 20.669 1110 1HZ LYS 49 1HZ LYS 49 11.404 -4.842 22.453 1111 2HZ LYS 49 2HZ LYS 49 13.079 -4.945 22.238 1112 3HZ LYS 49 3HZ LYS 49 12.075 -6.174 21.653 1113 H TYR 50 H TYR 50 7.283 -2.694 19.117 1114 HA TYR 50 HA TYR 50 6.638 -0.605 20.932 1115 1HB TYR 50 2HB TYR 50 6.423 -0.716 17.924 1116 2HB TYR 50 1HB TYR 50 6.272 0.744 18.898 1117 HD1 TYR 50 1HD TYR 50 8.187 1.097 16.967 1118 HD2 TYR 50 2HD TYR 50 8.654 -1.114 20.572 1119 HE1 TYR 50 1HE TYR 50 10.617 1.421 16.846 1120 HE2 TYR 50 2HE TYR 50 11.083 -0.797 20.460 1121 HH TYR 50 HH TYR 50 12.650 0.440 17.668 1122 H ASN 51 H ASN 51 4.728 -3.024 19.489 1123 HA ASN 51 HA ASN 51 2.526 -3.506 20.023 1124 1HB ASN 51 2HB ASN 51 2.114 -0.566 20.604 1125 2HB ASN 51 1HB ASN 51 0.991 -1.878 20.937 1126 1HD2 ASN 51 1HD2 ASN 51 3.131 0.129 22.329 1127 2HD2 ASN 51 2HD2 ASN 51 3.590 -0.816 23.700 1128 HA PRO 52 HA PRO 52 1.164 -2.793 15.911 1129 1HB PRO 52 2HB PRO 52 -1.409 -3.683 16.123 1130 2HB PRO 52 1HB PRO 52 -0.009 -4.757 16.040 1131 1HG PRO 52 2HG PRO 52 -1.547 -3.832 18.436 1132 2HG PRO 52 1HG PRO 52 -0.942 -5.455 18.054 1133 1HD PRO 52 2HD PRO 52 0.335 -3.827 19.778 1134 2HD PRO 52 1HD PRO 52 1.214 -4.944 18.713 1135 H THR 53 H THR 53 -1.358 -0.287 15.354 1136 HA THR 53 HA THR 53 -0.113 -2.816 14.513 1137 HB THR 53 HB THR 53 -2.577 -2.798 14.388 1138 HG1 THR 53 1HG THR 53 -1.405 -2.721 11.808 1139 1HG2 THR 53 1HG2 THR 53 -3.753 -1.439 12.803 1140 2HG2 THR 53 2HG2 THR 53 -2.256 -0.642 12.319 1141 3HG2 THR 53 3HG2 THR 53 -2.899 -0.399 13.943 1142 H TRP 54 H TRP 54 1.532 -2.657 13.155 1143 HA TRP 54 HA TRP 54 2.076 -0.090 11.907 1144 1HB TRP 54 2HB TRP 54 3.755 -2.591 12.071 1145 2HB TRP 54 1HB TRP 54 4.278 -1.060 11.374 1146 HD1 TRP 54 HD TRP 54 2.769 -2.152 14.788 1147 HE1 TRP 54 1HE TRP 54 4.043 -0.901 16.640 1148 HE3 TRP 54 3HE TRP 54 5.958 0.570 11.868 1149 HZ2 TRP 54 2HZ TRP 54 6.120 1.003 16.832 1150 HZ3 TRP 54 3HZ TRP 54 7.554 2.090 12.964 1151 HH2 TRP 54 HH TRP 54 7.632 2.300 15.395 1152 H HIS 55 H HIS 55 1.741 0.368 9.876 1153 HA HIS 55 HA HIS 55 0.877 -1.755 8.057 1154 1HB HIS 55 2HB HIS 55 0.853 1.215 7.518 1155 2HB HIS 55 1HB HIS 55 -0.102 -0.036 6.729 1156 HD1 HIS 55 1HD HIS 55 -1.552 -1.416 8.872 1157 HD2 HIS 55 2HD HIS 55 -0.791 2.662 9.080 1158 HE1 HIS 55 1HE HIS 55 -3.259 -0.496 10.474 1159 HE2 HIS 55 2HE HIS 55 -2.833 1.986 10.517 1160 H CYS 56 H CYS 56 2.073 -2.329 6.254 1161 HA CYS 56 HA CYS 56 4.404 -0.678 5.613 1162 1HB CYS 56 2HB CYS 56 5.202 -2.341 7.220 1163 2HB CYS 56 1HB CYS 56 4.575 -3.634 6.203 1164 HG CYS 56 HG CYS 56 7.278 -2.702 5.972 1165 H ILE 57 H ILE 57 5.106 -0.743 3.570 1166 HA ILE 57 HA ILE 57 3.970 -2.644 1.666 1167 HB ILE 57 HB ILE 57 3.850 0.338 1.180 1168 1HG1 ILE 57 2HG1 ILE 57 2.221 -0.334 2.910 1169 2HG1 ILE 57 1HG1 ILE 57 1.423 0.155 1.420 1170 1HG2 ILE 57 1HG2 ILE 57 4.136 -0.985 -0.832 1171 2HG2 ILE 57 2HG2 ILE 57 2.507 -0.310 -0.775 1172 3HG2 ILE 57 3HG2 ILE 57 2.772 -2.007 -0.380 1173 1HD1 ILE 57 1HD1 ILE 57 0.673 -1.948 0.970 1174 2HD1 ILE 57 2HD1 ILE 57 0.682 -1.987 2.734 1175 3HD1 ILE 57 3HD1 ILE 57 2.003 -2.724 1.828 1176 H VAL 58 H VAL 58 5.313 -2.944 -0.170 1177 HA VAL 58 HA VAL 58 7.655 -1.265 -0.488 1178 HB VAL 58 HB VAL 58 7.988 -4.192 0.199 1179 1HG1 VAL 58 1HG1 VAL 58 9.598 -2.889 -1.439 1180 2HG1 VAL 58 2HG1 VAL 58 10.224 -4.016 -0.234 1181 3HG1 VAL 58 3HG1 VAL 58 10.259 -2.279 0.077 1182 1HG2 VAL 58 1HG2 VAL 58 9.190 -3.306 2.206 1183 2HG2 VAL 58 2HG2 VAL 58 7.450 -3.020 2.206 1184 3HG2 VAL 58 3HG2 VAL 58 8.559 -1.709 1.806 1185 H GLY 59 H GLY 59 8.428 -1.307 -2.548 1186 1HA GLY 59 2HA GLY 59 8.234 -3.465 -4.326 1187 2HA GLY 59 1HA GLY 59 6.831 -2.438 -4.574 1188 H ARG 60 H ARG 60 7.301 -1.627 -6.556 1189 HA ARG 60 HA ARG 60 9.406 0.373 -6.671 1190 1HB ARG 60 2HB ARG 60 9.358 -1.911 -8.654 1191 2HB ARG 60 1HB ARG 60 10.446 -0.530 -8.690 1192 1HG ARG 60 2HG ARG 60 11.503 -1.248 -6.650 1193 2HG ARG 60 1HG ARG 60 10.344 -2.567 -6.476 1194 1HD ARG 60 2HD ARG 60 12.428 -3.415 -7.355 1195 2HD ARG 60 1HD ARG 60 11.162 -3.545 -8.574 1196 HE ARG 60 HE ARG 60 12.520 -1.127 -8.958 1197 1HH1 ARG 60 1HH1 ARG 60 13.078 -4.563 -9.214 1198 2HH1 ARG 60 2HH1 ARG 60 14.270 -4.403 -10.459 1199 1HH2 ARG 60 1HH2 ARG 60 14.093 -0.918 -10.596 1200 2HH2 ARG 60 2HH2 ARG 60 14.846 -2.336 -11.243 1201 H ASN 61 H ASN 61 6.444 0.216 -6.850 1202 HA ASN 61 HA ASN 61 5.833 2.229 -8.541 1203 1HB ASN 61 2HB ASN 61 6.600 0.921 -10.451 1204 2HB ASN 61 1HB ASN 61 5.532 -0.403 -10.005 1205 1HD2 ASN 61 1HD2 ASN 61 3.671 -0.487 -10.997 1206 2HD2 ASN 61 2HD2 ASN 61 2.877 0.825 -11.796 1207 H PHE 62 H PHE 62 4.511 2.428 -6.664 1208 HA PHE 62 HA PHE 62 1.877 1.270 -7.009 1209 1HB PHE 62 2HB PHE 62 1.743 0.348 -4.751 1210 2HB PHE 62 1HB PHE 62 3.032 -0.432 -5.660 1211 HD1 PHE 62 1HD PHE 62 5.388 0.819 -5.398 1212 HD2 PHE 62 2HD PHE 62 2.203 0.920 -2.581 1213 HE1 PHE 62 1HE PHE 62 6.988 1.389 -3.619 1214 HE2 PHE 62 2HE PHE 62 3.797 1.491 -0.795 1215 HZ PHE 62 HZ PHE 62 6.192 1.726 -1.314 1216 H GLY 63 H GLY 63 0.359 2.670 -6.478 1217 1HA GLY 63 2HA GLY 63 1.132 5.001 -4.828 1218 2HA GLY 63 1HA GLY 63 -0.086 5.053 -6.097 1219 H SER 64 H SER 64 -0.077 5.505 -2.996 1220 HA SER 64 HA SER 64 -2.690 4.350 -2.646 1221 1HB SER 64 2HB SER 64 -2.114 2.960 -0.685 1222 2HB SER 64 1HB SER 64 -1.372 2.380 -2.174 1223 HG SER 64 HG SER 64 0.132 2.406 -0.473 1224 H TYR 65 H TYR 65 -3.583 4.640 -0.473 1225 HA TYR 65 HA TYR 65 -2.531 6.974 0.961 1226 1HB TYR 65 2HB TYR 65 -5.334 6.524 -0.047 1227 2HB TYR 65 1HB TYR 65 -5.005 7.595 1.310 1228 HD1 TYR 65 1HD TYR 65 -3.671 7.005 -2.137 1229 HD2 TYR 65 2HD TYR 65 -4.861 9.821 0.817 1230 HE1 TYR 65 1HE TYR 65 -3.195 8.838 -3.698 1231 HE2 TYR 65 2HE TYR 65 -4.391 11.663 -0.732 1232 HH TYR 65 HH TYR 65 -4.256 11.977 -3.236 1233 H VAL 66 H VAL 66 -2.913 6.983 3.185 1234 HA VAL 66 HA VAL 66 -4.492 4.904 4.441 1235 HB VAL 66 HB VAL 66 -1.529 5.000 4.991 1236 1HG1 VAL 66 1HG1 VAL 66 -3.726 3.150 5.899 1237 2HG1 VAL 66 2HG1 VAL 66 -2.765 4.242 6.891 1238 3HG1 VAL 66 3HG1 VAL 66 -2.012 2.834 6.147 1239 1HG2 VAL 66 1HG2 VAL 66 -1.451 2.765 3.863 1240 2HG2 VAL 66 2HG2 VAL 66 -1.763 4.117 2.777 1241 3HG2 VAL 66 3HG2 VAL 66 -3.085 3.065 3.279 1242 H THR 67 H THR 67 -4.517 5.162 6.825 1243 HA THR 67 HA THR 67 -3.849 7.932 7.618 1244 HB THR 67 HB THR 67 -6.278 7.454 7.609 1245 HG1 THR 67 1HG THR 67 -5.216 8.779 9.293 1246 1HG2 THR 67 1HG2 THR 67 -7.060 5.965 9.566 1247 2HG2 THR 67 2HG2 THR 67 -5.481 5.199 9.391 1248 3HG2 THR 67 3HG2 THR 67 -6.609 5.215 8.034 1249 H HIS 68 H HIS 68 -3.145 8.237 9.858 1250 HA HIS 68 HA HIS 68 -2.445 5.974 11.451 1251 1HB HIS 68 2HB HIS 68 0.033 6.310 11.237 1252 2HB HIS 68 1HB HIS 68 -0.751 5.642 9.807 1253 HD1 HIS 68 1HD HIS 68 0.569 8.946 11.103 1254 HD2 HIS 68 2HD HIS 68 -0.406 7.092 7.516 1255 HE1 HIS 68 1HE HIS 68 1.293 10.541 9.303 1256 HE2 HIS 68 2HE HIS 68 0.612 9.440 7.145 1257 H GLU 69 H GLU 69 -1.709 6.476 13.465 1258 HA GLU 69 HA GLU 69 -2.392 8.978 14.536 1259 1HB GLU 69 2HB GLU 69 -2.433 6.943 15.863 1260 2HB GLU 69 1HB GLU 69 -0.697 6.743 15.664 1261 1HG GLU 69 2HG GLU 69 -1.203 7.581 17.861 1262 2HG GLU 69 1HG GLU 69 -0.319 8.793 16.936 1263 H THR 70 H THR 70 -1.117 10.656 15.372 1264 HA THR 70 HA THR 70 1.021 11.519 13.834 1265 HB THR 70 HB THR 70 1.443 13.166 15.630 1266 HG1 THR 70 1HG THR 70 0.971 11.738 17.389 1267 1HG2 THR 70 1HG2 THR 70 -1.361 12.677 14.737 1268 2HG2 THR 70 2HG2 THR 70 -0.235 13.948 14.260 1269 3HG2 THR 70 3HG2 THR 70 -0.991 13.991 15.852 1270 H LYS 71 H LYS 71 3.253 11.740 14.246 1271 HA LYS 71 HA LYS 71 5.320 10.985 14.814 1272 1HB LYS 71 2HB LYS 71 3.960 10.198 17.400 1273 2HB LYS 71 1HB LYS 71 5.695 10.291 17.151 1274 1HG LYS 71 2HG LYS 71 4.001 12.699 16.672 1275 2HG LYS 71 1HG LYS 71 4.427 12.235 18.318 1276 1HD LYS 71 2HD LYS 71 6.006 13.868 17.458 1277 2HD LYS 71 1HD LYS 71 6.806 12.317 17.714 1278 1HE LYS 71 2HE LYS 71 6.754 11.837 15.367 1279 2HE LYS 71 1HE LYS 71 5.760 13.260 15.048 1280 1HZ LYS 71 1HZ LYS 71 8.376 13.605 16.336 1281 2HZ LYS 71 2HZ LYS 71 7.531 14.661 15.321 1282 3HZ LYS 71 3HZ LYS 71 8.322 13.317 14.670 1283 H HIS 72 H HIS 72 3.688 9.309 13.307 1284 HA HIS 72 HA HIS 72 5.017 6.790 13.754 1285 1HB HIS 72 2HB HIS 72 1.991 6.913 13.824 1286 2HB HIS 72 1HB HIS 72 2.958 5.442 13.801 1287 HD1 HIS 72 1HD HIS 72 4.826 5.515 15.960 1288 HD2 HIS 72 2HD HIS 72 1.185 7.480 16.327 1289 HE1 HIS 72 1HE HIS 72 4.461 5.794 18.431 1290 HE2 HIS 72 2HE HIS 72 2.212 6.915 18.631 1291 H PHE 73 H PHE 73 5.798 7.882 11.722 1292 HA PHE 73 HA PHE 73 4.619 6.583 9.471 1293 1HB PHE 73 2HB PHE 73 3.123 8.480 9.508 1294 2HB PHE 73 1HB PHE 73 4.479 9.596 9.637 1295 HD1 PHE 73 1HD PHE 73 3.481 6.778 7.394 1296 HD2 PHE 73 2HD PHE 73 4.935 10.765 7.727 1297 HE1 PHE 73 1HE PHE 73 3.577 6.944 4.942 1298 HE2 PHE 73 2HE PHE 73 5.032 10.939 5.275 1299 HZ PHE 73 HZ PHE 73 4.352 9.026 3.878 1300 H ILE 74 H ILE 74 6.093 6.252 7.862 1301 HA ILE 74 HA ILE 74 8.401 7.938 7.574 1302 HB ILE 74 HB ILE 74 9.120 6.629 9.499 1303 1HG1 ILE 74 2HG1 ILE 74 10.511 5.789 6.944 1304 2HG1 ILE 74 1HG1 ILE 74 10.800 7.283 7.829 1305 1HG2 ILE 74 1HG2 ILE 74 7.838 4.658 9.360 1306 2HG2 ILE 74 2HG2 ILE 74 9.513 4.152 9.149 1307 3HG2 ILE 74 3HG2 ILE 74 8.449 4.281 7.749 1308 1HD1 ILE 74 1HD1 ILE 74 12.533 5.638 8.266 1309 2HD1 ILE 74 2HD1 ILE 74 11.319 4.503 8.856 1310 3HD1 ILE 74 3HD1 ILE 74 11.621 6.004 9.730 1311 H TYR 75 H TYR 75 9.306 7.767 5.614 1312 HA TYR 75 HA TYR 75 8.753 5.438 3.932 1313 1HB TYR 75 2HB TYR 75 6.975 7.091 3.430 1314 2HB TYR 75 1HB TYR 75 8.211 8.287 3.053 1315 HD1 TYR 75 1HD TYR 75 9.997 7.417 1.238 1316 HD2 TYR 75 2HD TYR 75 6.015 5.976 1.656 1317 HE1 TYR 75 1HE TYR 75 10.050 6.618 -1.080 1318 HE2 TYR 75 2HE TYR 75 6.059 5.176 -0.669 1319 HH TYR 75 HH TYR 75 8.200 6.152 -2.906 1320 H PHE 76 H PHE 76 10.447 4.955 2.574 1321 HA PHE 76 HA PHE 76 12.402 6.849 1.778 1322 1HB PHE 76 2HB PHE 76 14.293 5.982 3.112 1323 2HB PHE 76 1HB PHE 76 13.051 6.726 4.111 1324 HD1 PHE 76 1HD PHE 76 14.042 3.377 2.797 1325 HD2 PHE 76 2HD PHE 76 12.358 5.622 5.996 1326 HE1 PHE 76 1HE PHE 76 13.916 1.334 4.163 1327 HE2 PHE 76 2HE PHE 76 12.234 3.582 7.367 1328 HZ PHE 76 HZ PHE 76 13.014 1.434 6.450 1329 H TYR 77 H TYR 77 13.745 6.081 0.194 1330 HA TYR 77 HA TYR 77 13.058 3.519 -0.932 1331 1HB TYR 77 2HB TYR 77 15.001 5.654 -1.828 1332 2HB TYR 77 1HB TYR 77 14.713 4.161 -2.715 1333 HD1 TYR 77 1HD TYR 77 12.951 7.175 -1.401 1334 HD2 TYR 77 2HD TYR 77 13.004 4.051 -4.288 1335 HE1 TYR 77 1HE TYR 77 11.061 8.227 -2.574 1336 HE2 TYR 77 2HE TYR 77 11.114 5.096 -5.464 1337 HH TYR 77 HH TYR 77 10.065 8.260 -4.805 1338 H LEU 78 H LEU 78 14.483 1.795 -1.300 1339 HA LEU 78 HA LEU 78 17.157 1.772 -0.300 1340 1HB LEU 78 2HB LEU 78 16.003 1.660 1.830 1341 2HB LEU 78 1HB LEU 78 15.019 0.328 1.262 1342 HG LEU 78 HG LEU 78 16.953 -1.132 1.187 1343 1HD1 LEU 78 1HD1 LEU 78 18.998 0.123 2.488 1344 2HD1 LEU 78 2HD1 LEU 78 18.390 1.399 1.433 1345 3HD1 LEU 78 3HD1 LEU 78 18.906 -0.141 0.748 1346 1HD2 LEU 78 1HD2 LEU 78 17.325 0.112 3.841 1347 2HD2 LEU 78 2HD2 LEU 78 16.966 -1.560 3.409 1348 3HD2 LEU 78 3HD2 LEU 78 15.679 -0.355 3.410 1349 H GLY 79 H GLY 79 18.316 0.095 -1.131 1350 1HA GLY 79 2HA GLY 79 18.804 -1.662 -2.526 1351 2HA GLY 79 1HA GLY 79 17.413 -2.444 -1.789 1352 H GLN 80 H GLN 80 17.470 0.472 -3.774 1353 HA GLN 80 HA GLN 80 16.398 1.020 -5.692 1354 1HB GLN 80 2HB GLN 80 16.899 -1.889 -6.348 1355 2HB GLN 80 1HB GLN 80 16.422 -0.657 -7.508 1356 1HG GLN 80 2HG GLN 80 18.497 0.559 -7.067 1357 2HG GLN 80 1HG GLN 80 18.974 -0.683 -5.911 1358 1HE2 GLN 80 1HE2 GLN 80 19.448 0.370 -8.950 1359 2HE2 GLN 80 2HE2 GLN 80 19.930 -1.103 -9.714 1360 H VAL 81 H VAL 81 14.766 0.325 -3.490 1361 HA VAL 81 HA VAL 81 12.298 -0.190 -4.890 1362 HB VAL 81 HB VAL 81 11.537 -2.007 -3.444 1363 1HG1 VAL 81 1HG1 VAL 81 12.654 -3.773 -4.528 1364 2HG1 VAL 81 2HG1 VAL 81 14.148 -2.847 -4.668 1365 3HG1 VAL 81 3HG1 VAL 81 12.744 -2.407 -5.638 1366 1HG2 VAL 81 1HG2 VAL 81 12.864 -3.096 -1.852 1367 2HG2 VAL 81 2HG2 VAL 81 13.162 -1.382 -1.568 1368 3HG2 VAL 81 3HG2 VAL 81 14.346 -2.348 -2.445 1369 H ALA 82 H ALA 82 10.599 0.815 -3.948 1370 HA ALA 82 HA ALA 82 11.141 2.660 -1.834 1371 1HB ALA 82 1HB ALA 82 8.868 2.068 -3.627 1372 2HB ALA 82 2HB ALA 82 9.624 3.608 -3.217 1373 3HB ALA 82 3HB ALA 82 8.488 2.859 -2.097 1374 H ILE 83 H ILE 83 10.726 2.534 0.285 1375 HA ILE 83 HA ILE 83 9.224 0.187 1.254 1376 HB ILE 83 HB ILE 83 11.549 1.566 2.608 1377 1HG1 ILE 83 2HG1 ILE 83 11.314 -1.171 1.338 1378 2HG1 ILE 83 1HG1 ILE 83 12.248 0.184 0.713 1379 1HG2 ILE 83 1HG2 ILE 83 11.126 -0.804 3.917 1380 2HG2 ILE 83 2HG2 ILE 83 9.484 -0.253 3.584 1381 3HG2 ILE 83 3HG2 ILE 83 10.598 0.782 4.476 1382 1HD1 ILE 83 1HD1 ILE 83 12.756 -1.277 3.294 1383 2HD1 ILE 83 2HD1 ILE 83 13.687 0.091 2.684 1384 3HD1 ILE 83 3HD1 ILE 83 13.681 -1.435 1.802 1385 H LEU 84 H LEU 84 7.733 0.499 2.879 1386 HA LEU 84 HA LEU 84 7.392 3.214 3.929 1387 1HB LEU 84 2HB LEU 84 5.931 3.045 1.985 1388 2HB LEU 84 1HB LEU 84 5.221 1.573 2.623 1389 HG LEU 84 HG LEU 84 4.279 2.841 4.508 1390 1HD1 LEU 84 1HD1 LEU 84 4.354 5.465 3.852 1391 2HD1 LEU 84 2HD1 LEU 84 5.972 4.956 3.370 1392 3HD1 LEU 84 3HD1 LEU 84 5.425 4.703 5.027 1393 1HD2 LEU 84 1HD2 LEU 84 2.677 2.667 2.892 1394 2HD2 LEU 84 2HD2 LEU 84 3.647 3.503 1.680 1395 3HD2 LEU 84 3HD2 LEU 84 2.839 4.421 2.952 1396 H LEU 85 H LEU 85 6.713 3.318 6.001 1397 HA LEU 85 HA LEU 85 5.483 1.028 7.287 1398 1HB LEU 85 2HB LEU 85 7.875 0.530 7.483 1399 2HB LEU 85 1HB LEU 85 8.151 2.102 8.207 1400 HG LEU 85 HG LEU 85 6.641 1.413 10.091 1401 1HD1 LEU 85 1HD1 LEU 85 6.293 -1.024 10.376 1402 2HD1 LEU 85 2HD1 LEU 85 6.850 -1.258 8.720 1403 3HD1 LEU 85 3HD1 LEU 85 5.385 -0.330 9.034 1404 1HD2 LEU 85 1HD2 LEU 85 8.380 -0.326 10.954 1405 2HD2 LEU 85 2HD2 LEU 85 8.869 1.343 10.670 1406 3HD2 LEU 85 3HD2 LEU 85 9.250 0.098 9.480 1407 H PHE 86 H PHE 86 4.216 1.609 8.991 1408 HA PHE 86 HA PHE 86 4.539 3.885 10.584 1409 1HB PHE 86 2HB PHE 86 2.763 5.338 9.697 1410 2HB PHE 86 1HB PHE 86 4.077 5.138 8.549 1411 HD1 PHE 86 1HD PHE 86 3.606 2.888 6.984 1412 HD2 PHE 86 2HD PHE 86 0.726 5.465 8.743 1413 HE1 PHE 86 1HE PHE 86 1.985 2.246 5.255 1414 HE2 PHE 86 2HE PHE 86 -0.905 4.830 7.024 1415 HZ PHE 86 HZ PHE 86 -0.275 3.216 5.274 1416 H LYS 87 H LYS 87 3.478 3.464 12.393 1417 HA LYS 87 HA LYS 87 1.449 1.400 12.409 1418 1HB LYS 87 2HB LYS 87 1.638 1.465 14.826 1419 2HB LYS 87 1HB LYS 87 3.229 1.360 14.090 1420 1HG LYS 87 2HG LYS 87 3.639 3.685 14.500 1421 2HG LYS 87 1HG LYS 87 1.987 3.915 15.076 1422 1HD LYS 87 2HD LYS 87 4.038 2.118 16.363 1423 2HD LYS 87 1HD LYS 87 3.625 3.740 16.917 1424 1HE LYS 87 2HE LYS 87 1.764 1.369 16.765 1425 2HE LYS 87 1HE LYS 87 2.463 2.054 18.232 1426 1HZ LYS 87 1HZ LYS 87 0.567 3.412 16.393 1427 2HZ LYS 87 2HZ LYS 87 1.284 4.130 17.746 1428 3HZ LYS 87 3HZ LYS 87 0.219 2.832 17.944 1429 H SER 88 H SER 88 -0.396 1.676 13.974 1430 HA SER 88 HA SER 88 -1.503 4.347 14.175 1431 1HB SER 88 2HB SER 88 -2.886 2.216 12.523 1432 2HB SER 88 1HB SER 88 -3.554 3.797 12.931 1433 HG SER 88 HG SER 88 -2.672 3.998 10.920 1434 H GLY 89 H GLY 89 -2.706 4.506 15.971 1435 1HA GLY 89 2HA GLY 89 -3.821 3.916 17.888 1436 2HA GLY 89 1HA GLY 89 -4.468 2.568 16.964 1437 1H MET 1 1HT MET 1 -10.420 -9.939 12.813 1438 2H MET 1 2HT MET 1 -11.241 -8.434 12.782 1439 3H MET 1 3HT MET 1 -10.371 -8.909 14.183 1440 HA MET 1 HA MET 1 -9.500 -7.506 11.930 1441 1HB MET 1 2HB MET 1 -8.123 -8.469 14.447 1442 2HB MET 1 1HB MET 1 -7.506 -7.223 13.370 1443 1HG MET 1 2HG MET 1 -9.457 -5.836 13.861 1444 2HG MET 1 1HG MET 1 -10.067 -7.083 14.947 1445 1HE MET 1 1HE MET 1 -6.814 -7.558 16.897 1446 2HE MET 1 2HE MET 1 -8.374 -8.233 16.426 1447 3HE MET 1 3HE MET 1 -8.247 -7.235 17.874 1448 H LYS 2 H LYS 2 -7.920 -7.904 10.444 1449 HA LYS 2 HA LYS 2 -6.296 -10.273 10.568 1450 1HB LYS 2 2HB LYS 2 -8.411 -10.003 8.430 1451 2HB LYS 2 1HB LYS 2 -7.068 -11.137 8.351 1452 1HG LYS 2 2HG LYS 2 -7.877 -12.187 10.432 1453 2HG LYS 2 1HG LYS 2 -9.262 -11.095 10.411 1454 1HD LYS 2 2HD LYS 2 -9.998 -12.013 8.295 1455 2HD LYS 2 1HD LYS 2 -8.565 -13.039 8.212 1456 1HE LYS 2 2HE LYS 2 -10.471 -14.331 8.961 1457 2HE LYS 2 1HE LYS 2 -9.286 -14.185 10.258 1458 1HZ LYS 2 1HZ LYS 2 -10.651 -12.323 11.137 1459 2HZ LYS 2 2HZ LYS 2 -11.438 -13.821 11.170 1460 3HZ LYS 2 3HZ LYS 2 -11.832 -12.685 9.979 1461 H ASP 3 H ASP 3 -4.455 -10.083 9.456 1462 HA ASP 3 HA ASP 3 -3.949 -7.512 8.239 1463 1HB ASP 3 2HB ASP 3 -1.579 -8.274 8.210 1464 2HB ASP 3 1HB ASP 3 -2.311 -8.309 9.811 1465 H THR 4 H THR 4 -3.952 -7.101 6.151 1466 HA THR 4 HA THR 4 -4.377 -9.170 4.222 1467 HB THR 4 HB THR 4 -3.985 -6.205 4.020 1468 HG1 THR 4 1HG THR 4 -6.216 -7.912 3.758 1469 1HG2 THR 4 1HG2 THR 4 -4.721 -8.053 1.768 1470 2HG2 THR 4 2HG2 THR 4 -3.176 -7.222 1.940 1471 3HG2 THR 4 3HG2 THR 4 -4.655 -6.292 1.708 1472 H GLY 5 H GLY 5 -2.982 -9.772 2.524 1473 1HA GLY 5 2HA GLY 5 -0.298 -8.697 2.432 1474 2HA GLY 5 1HA GLY 5 -0.394 -10.341 3.045 1475 H ILE 6 H ILE 6 0.400 -8.735 0.411 1476 HA ILE 6 HA ILE 6 -0.053 -10.984 -1.313 1477 HB ILE 6 HB ILE 6 -1.167 -9.646 -3.112 1478 1HG1 ILE 6 2HG1 ILE 6 -2.549 -7.681 -2.219 1479 2HG1 ILE 6 1HG1 ILE 6 -1.447 -7.678 -0.847 1480 1HG2 ILE 6 1HG2 ILE 6 -3.344 -10.090 -2.351 1481 2HG2 ILE 6 2HG2 ILE 6 -2.897 -9.822 -0.666 1482 3HG2 ILE 6 3HG2 ILE 6 -2.313 -11.253 -1.515 1483 1HD1 ILE 6 1HD1 ILE 6 0.132 -6.627 -2.001 1484 2HD1 ILE 6 2HD1 ILE 6 -1.127 -6.295 -3.190 1485 3HD1 ILE 6 3HD1 ILE 6 -0.062 -7.686 -3.398 1486 H GLN 7 H GLN 7 1.382 -11.089 -2.973 1487 HA GLN 7 HA GLN 7 3.411 -8.971 -3.043 1488 1HB GLN 7 2HB GLN 7 4.288 -11.137 -2.444 1489 2HB GLN 7 1HB GLN 7 3.532 -11.880 -3.848 1490 1HG GLN 7 2HG GLN 7 4.983 -10.531 -5.310 1491 2HG GLN 7 1HG GLN 7 5.770 -9.866 -3.880 1492 1HE2 GLN 7 1HE2 GLN 7 7.677 -10.737 -3.603 1493 2HE2 GLN 7 2HE2 GLN 7 8.092 -12.397 -3.835 1494 H VAL 8 H VAL 8 2.217 -7.594 -4.499 1495 HA VAL 8 HA VAL 8 1.524 -8.596 -7.115 1496 HB VAL 8 HB VAL 8 1.632 -5.741 -6.115 1497 1HG1 VAL 8 1HG1 VAL 8 0.712 -5.025 -8.075 1498 2HG1 VAL 8 2HG1 VAL 8 -0.068 -6.572 -8.402 1499 3HG1 VAL 8 3HG1 VAL 8 1.659 -6.378 -8.692 1500 1HG2 VAL 8 1HG2 VAL 8 -1.011 -6.504 -6.488 1501 2HG2 VAL 8 2HG2 VAL 8 -0.180 -6.268 -4.952 1502 3HG2 VAL 8 3HG2 VAL 8 -0.257 -7.876 -5.674 1503 H ASP 9 H ASP 9 2.632 -8.279 -9.028 1504 HA ASP 9 HA ASP 9 4.897 -6.594 -9.314 1505 1HB ASP 9 1HB ASP 9 5.480 -9.547 -8.981 1506 2HB ASP 9 2HB ASP 9 5.929 -8.279 -7.843 1507 H ARG 10 H ARG 10 2.694 -6.827 -10.852 1508 HA ARG 10 HA ARG 10 1.990 -7.061 -13.001 1509 1HB ARG 10 2HB ARG 10 4.934 -7.565 -13.448 1510 2HB ARG 10 1HB ARG 10 3.763 -7.430 -14.752 1511 1HG ARG 10 2HG ARG 10 4.403 -5.287 -12.736 1512 2HG ARG 10 1HG ARG 10 4.972 -5.343 -14.404 1513 1HD ARG 10 2HD ARG 10 2.095 -5.159 -13.513 1514 2HD ARG 10 1HD ARG 10 3.063 -3.840 -14.173 1515 HE ARG 10 HE ARG 10 3.098 -5.925 -16.021 1516 1HH1 ARG 10 1HH1 ARG 10 0.788 -3.715 -14.620 1517 2HH1 ARG 10 2HH1 ARG 10 -0.227 -3.691 -16.022 1518 1HH2 ARG 10 1HH2 ARG 10 1.763 -5.897 -17.864 1519 2HH2 ARG 10 2HH2 ARG 10 0.325 -4.930 -17.863 1520 H ASP 11 H ASP 11 1.539 -9.220 -11.388 1521 HA ASP 11 HA ASP 11 2.385 -11.639 -12.727 1522 1HB ASP 11 2HB ASP 11 0.433 -11.220 -10.454 1523 2HB ASP 11 1HB ASP 11 1.007 -12.783 -11.025 1524 H LEU 12 H LEU 12 1.072 -10.074 -14.557 1525 HA LEU 12 HA LEU 12 -1.688 -10.951 -14.735 1526 1HB LEU 12 2HB LEU 12 -0.020 -9.299 -16.636 1527 2HB LEU 12 1HB LEU 12 -1.742 -9.595 -16.792 1528 HG LEU 12 HG LEU 12 -0.404 -8.065 -14.561 1529 1HD1 LEU 12 1HD1 LEU 12 -2.341 -6.991 -16.582 1530 2HD1 LEU 12 2HD1 LEU 12 -0.605 -7.026 -16.893 1531 3HD1 LEU 12 3HD1 LEU 12 -1.238 -6.111 -15.523 1532 1HD2 LEU 12 1HD2 LEU 12 -2.271 -9.092 -13.582 1533 2HD2 LEU 12 2HD2 LEU 12 -3.255 -8.882 -15.031 1534 3HD2 LEU 12 3HD2 LEU 12 -2.834 -7.485 -14.039 1535 H ASP 13 H ASP 13 -0.019 -13.125 -14.734 1536 HA ASP 13 HA ASP 13 -0.682 -14.362 -17.240 1537 1HB ASP 13 2HB ASP 13 2.232 -14.067 -16.467 1538 2HB ASP 13 1HB ASP 13 1.627 -15.085 -17.770 1539 H GLY 14 H GLY 14 1.167 -14.590 -14.226 1540 1HA GLY 14 2HA GLY 14 -0.229 -16.891 -13.343 1541 2HA GLY 14 1HA GLY 14 1.331 -17.357 -14.007 1542 H LYS 15 H LYS 15 2.872 -17.554 -12.541 1543 HA LYS 15 HA LYS 15 3.215 -15.551 -10.482 1544 1HB LYS 15 2HB LYS 15 1.631 -17.091 -9.421 1545 2HB LYS 15 1HB LYS 15 2.703 -18.442 -9.759 1546 1HG LYS 15 2HG LYS 15 4.396 -17.478 -8.292 1547 2HG LYS 15 1HG LYS 15 3.334 -16.107 -7.965 1548 1HD LYS 15 2HD LYS 15 3.232 -17.740 -6.157 1549 2HD LYS 15 1HD LYS 15 1.679 -17.623 -6.988 1550 1HE LYS 15 2HE LYS 15 2.205 -19.638 -8.263 1551 2HE LYS 15 1HE LYS 15 3.766 -19.751 -7.451 1552 1HZ LYS 15 1HZ LYS 15 1.222 -19.754 -5.943 1553 2HZ LYS 15 2HZ LYS 15 2.751 -20.263 -5.427 1554 3HZ LYS 15 3HZ LYS 15 1.893 -21.180 -6.560 1555 H SER 16 H SER 16 4.243 -18.722 -11.706 1556 HA SER 16 HA SER 16 6.905 -18.495 -10.716 1557 1HB SER 16 2HB SER 16 7.368 -20.458 -12.143 1558 2HB SER 16 1HB SER 16 5.908 -20.683 -11.179 1559 HG SER 16 HG SER 16 4.683 -20.171 -13.013 1560 H HIS 17 H HIS 17 5.446 -18.065 -13.928 1561 HA HIS 17 HA HIS 17 7.865 -17.325 -15.212 1562 1HB HIS 17 2HB HIS 17 5.000 -16.770 -16.011 1563 2HB HIS 17 1HB HIS 17 6.404 -16.574 -17.055 1564 HD1 HIS 17 1HD HIS 17 7.889 -19.032 -17.056 1565 HD2 HIS 17 2HD HIS 17 3.765 -19.097 -16.551 1566 HE1 HIS 17 1HE HIS 17 7.172 -21.359 -17.685 1567 HE2 HIS 17 2HE HIS 17 4.663 -21.350 -17.455 1568 H LYS 18 H LYS 18 5.127 -15.420 -13.974 1569 HA LYS 18 HA LYS 18 4.954 -13.244 -13.333 1570 1HB LYS 18 2HB LYS 18 7.975 -13.354 -13.247 1571 2HB LYS 18 1HB LYS 18 6.978 -12.092 -12.538 1572 1HG LYS 18 2HG LYS 18 5.975 -13.739 -11.028 1573 2HG LYS 18 1HG LYS 18 6.999 -14.993 -11.732 1574 1HD LYS 18 2HD LYS 18 8.992 -13.777 -11.000 1575 2HD LYS 18 1HD LYS 18 7.969 -12.521 -10.299 1576 1HE LYS 18 2HE LYS 18 8.749 -14.069 -8.586 1577 2HE LYS 18 1HE LYS 18 6.998 -14.159 -8.770 1578 1HZ LYS 18 1HZ LYS 18 7.965 -16.356 -8.587 1579 2HZ LYS 18 2HZ LYS 18 8.967 -16.064 -9.920 1580 3HZ LYS 18 3HZ LYS 18 7.290 -16.146 -10.125 1581 1H MET 1 1HT MET 1 -8.794 13.554 9.460 1582 2H MET 1 2HT MET 1 -7.663 14.326 10.493 1583 3H MET 1 3HT MET 1 -9.006 13.491 11.159 1584 HA MET 1 HA MET 1 -7.134 12.153 11.440 1585 1HB MET 1 2HB MET 1 -8.811 11.231 9.095 1586 2HB MET 1 1HB MET 1 -7.840 10.185 10.120 1587 1HG MET 1 2HG MET 1 -9.216 10.793 12.044 1588 2HG MET 1 1HG MET 1 -10.193 11.834 11.011 1589 1HE MET 1 1HE MET 1 -9.080 7.947 9.782 1590 2HE MET 1 2HE MET 1 -9.974 7.311 11.162 1591 3HE MET 1 3HE MET 1 -8.668 8.468 11.416 1592 H LYS 2 H LYS 2 -5.116 11.568 10.851 1593 HA LYS 2 HA LYS 2 -3.860 12.880 8.680 1594 1HB LYS 2 2HB LYS 2 -2.851 10.596 10.380 1595 2HB LYS 2 1HB LYS 2 -1.865 11.593 9.320 1596 1HG LYS 2 2HG LYS 2 -2.420 13.563 10.673 1597 2HG LYS 2 1HG LYS 2 -3.369 12.538 11.751 1598 1HD LYS 2 2HD LYS 2 -1.169 12.947 12.695 1599 2HD LYS 2 1HD LYS 2 -1.345 11.243 12.273 1600 1HE LYS 2 2HE LYS 2 0.845 12.083 11.615 1601 2HE LYS 2 1HE LYS 2 -0.106 11.626 10.202 1602 1HZ LYS 2 1HZ LYS 2 0.248 14.397 11.215 1603 2HZ LYS 2 2HZ LYS 2 -0.638 13.949 9.844 1604 3HZ LYS 2 3HZ LYS 2 1.039 13.731 9.874 1605 H ASP 3 H ASP 3 -3.019 12.062 6.757 1606 HA ASP 3 HA ASP 3 -3.643 9.324 6.048 1607 1HB ASP 3 2HB ASP 3 -4.781 10.069 3.927 1608 2HB ASP 3 1HB ASP 3 -5.697 10.329 5.406 1609 H THR 4 H THR 4 -1.765 8.584 5.332 1610 HA THR 4 HA THR 4 0.209 10.260 4.128 1611 HB THR 4 HB THR 4 0.746 8.288 5.545 1612 HG1 THR 4 1HG THR 4 1.696 8.170 2.873 1613 1HG2 THR 4 1HG2 THR 4 -1.092 6.861 4.379 1614 2HG2 THR 4 2HG2 THR 4 0.394 6.108 4.955 1615 3HG2 THR 4 3HG2 THR 4 0.203 6.485 3.242 1616 H GLY 5 H GLY 5 0.942 10.182 1.963 1617 1HA GLY 5 2HA GLY 5 -0.632 8.629 0.057 1618 2HA GLY 5 1HA GLY 5 -0.727 10.378 -0.087 1619 H ILE 6 H ILE 6 0.589 7.889 -1.539 1620 HA ILE 6 HA ILE 6 2.728 9.456 -2.654 1621 HB ILE 6 HB ILE 6 4.440 7.607 -2.243 1622 1HG1 ILE 6 2HG1 ILE 6 4.085 6.517 0.046 1623 2HG1 ILE 6 1HG1 ILE 6 2.389 6.941 -0.137 1624 1HG2 ILE 6 1HG2 ILE 6 3.710 9.139 0.231 1625 2HG2 ILE 6 2HG2 ILE 6 4.328 9.938 -1.215 1626 3HG2 ILE 6 3HG2 ILE 6 5.312 8.733 -0.386 1627 1HD1 ILE 6 1HD1 ILE 6 2.026 5.184 -1.430 1628 2HD1 ILE 6 2HD1 ILE 6 3.659 4.645 -1.033 1629 3HD1 ILE 6 3HD1 ILE 6 3.375 5.603 -2.486 1630 H GLN 7 H GLN 7 3.246 8.862 -4.678 1631 HA GLN 7 HA GLN 7 1.978 6.416 -5.718 1632 1HB GLN 7 2HB GLN 7 1.791 7.625 -7.888 1633 2HB GLN 7 1HB GLN 7 0.840 8.345 -6.597 1634 1HG GLN 7 2HG GLN 7 2.541 10.060 -6.285 1635 2HG GLN 7 1HG GLN 7 3.520 9.332 -7.554 1636 1HE2 GLN 7 1HE2 GLN 7 1.575 11.825 -6.952 1637 2HE2 GLN 7 2HE2 GLN 7 0.903 12.093 -8.521 1638 H VAL 8 H VAL 8 3.967 5.279 -5.239 1639 HA VAL 8 HA VAL 8 6.448 6.030 -6.403 1640 HB VAL 8 HB VAL 8 5.607 3.262 -5.543 1641 1HG1 VAL 8 1HG1 VAL 8 7.606 2.838 -6.505 1642 2HG1 VAL 8 2HG1 VAL 8 8.215 3.426 -4.958 1643 3HG1 VAL 8 3HG1 VAL 8 8.157 4.507 -6.351 1644 1HG2 VAL 8 1HG2 VAL 8 6.598 5.603 -3.956 1645 2HG2 VAL 8 2HG2 VAL 8 6.813 3.943 -3.400 1646 3HG2 VAL 8 3HG2 VAL 8 5.189 4.583 -3.660 1647 H ASP 9 H ASP 9 7.432 5.386 -8.284 1648 HA ASP 9 HA ASP 9 6.556 3.322 -9.975 1649 1HB ASP 9 2HB ASP 9 5.542 4.636 -11.798 1650 2HB ASP 9 1HB ASP 9 4.585 4.721 -10.323 1651 H ARG 10 H ARG 10 9.031 3.812 -9.225 1652 HA ARG 10 HA ARG 10 10.538 5.628 -10.749 1653 1HB ARG 10 2HB ARG 10 11.378 2.996 -9.526 1654 2HB ARG 10 1HB ARG 10 12.488 4.196 -10.172 1655 1HG ARG 10 2HG ARG 10 11.611 5.815 -8.506 1656 2HG ARG 10 1HG ARG 10 10.652 4.509 -7.809 1657 1HD ARG 10 2HD ARG 10 12.714 4.791 -6.561 1658 2HD ARG 10 1HD ARG 10 12.709 3.236 -7.390 1659 HE ARG 10 HE ARG 10 14.579 3.912 -8.491 1660 1HH1 ARG 10 1HH1 ARG 10 12.875 6.765 -7.424 1661 2HH1 ARG 10 2HH1 ARG 10 14.062 7.859 -8.049 1662 1HH2 ARG 10 1HH2 ARG 10 16.143 5.350 -9.307 1663 2HH2 ARG 10 2HH2 ARG 10 15.918 7.056 -9.116 1664 H ASP 11 H ASP 11 11.391 5.578 -12.742 1665 HA ASP 11 HA ASP 11 10.541 3.473 -14.541 1666 1HB ASP 11 2HB ASP 11 11.482 4.920 -16.306 1667 2HB ASP 11 1HB ASP 11 10.347 5.789 -15.277 1668 H LEU 12 H LEU 12 12.207 2.297 -12.821 1669 HA LEU 12 HA LEU 12 14.943 2.360 -13.666 1670 1HB LEU 12 2HB LEU 12 13.470 0.405 -11.905 1671 2HB LEU 12 1HB LEU 12 15.208 0.442 -12.129 1672 HG LEU 12 HG LEU 12 13.534 2.613 -10.861 1673 1HD1 LEU 12 1HD1 LEU 12 14.849 2.000 -8.838 1674 2HD1 LEU 12 2HD1 LEU 12 15.473 0.609 -9.722 1675 3HD1 LEU 12 3HD1 LEU 12 13.746 0.738 -9.390 1676 1HD2 LEU 12 1HD2 LEU 12 15.349 3.650 -12.013 1677 2HD2 LEU 12 2HD2 LEU 12 16.488 2.439 -11.425 1678 3HD2 LEU 12 3HD2 LEU 12 15.768 3.590 -10.300 1679 H ASP 13 H ASP 13 13.713 1.944 -15.982 1680 HA ASP 13 HA ASP 13 14.806 -0.482 -16.900 1681 1HB ASP 13 2HB ASP 13 12.840 -1.442 -15.753 1682 2HB ASP 13 1HB ASP 13 11.784 -0.452 -16.757 1683 H GLY 14 H GLY 14 14.977 2.189 -17.662 1684 1HA GLY 14 2HA GLY 14 14.947 3.527 -19.523 1685 2HA GLY 14 1HA GLY 14 14.782 2.031 -20.426 1686 H LYS 15 H LYS 15 12.513 3.578 -18.161 1687 HA LYS 15 HA LYS 15 10.346 4.229 -18.409 1688 1HB LYS 15 2HB LYS 15 11.267 4.821 -21.227 1689 2HB LYS 15 1HB LYS 15 9.774 5.402 -20.514 1690 1HG LYS 15 2HG LYS 15 12.557 6.071 -19.585 1691 2HG LYS 15 1HG LYS 15 11.488 7.123 -20.510 1692 1HD LYS 15 2HD LYS 15 10.838 6.039 -17.773 1693 2HD LYS 15 1HD LYS 15 11.572 7.614 -18.060 1694 1HE LYS 15 2HE LYS 15 9.248 7.985 -17.784 1695 2HE LYS 15 1HE LYS 15 9.586 8.157 -19.504 1696 1HZ LYS 15 1HZ LYS 15 8.872 5.478 -18.763 1697 2HZ LYS 15 2HZ LYS 15 8.251 6.460 -19.992 1698 3HZ LYS 15 3HZ LYS 15 7.652 6.598 -18.418 1699 H SER 16 H SER 16 10.340 1.630 -18.350 1700 HA SER 16 HA SER 16 8.147 0.870 -19.992 1701 1HB SER 16 2HB SER 16 9.246 -0.978 -21.212 1702 2HB SER 16 1HB SER 16 9.899 0.592 -21.679 1703 HG SER 16 HG SER 16 11.062 -1.384 -20.030 1704 H HIS 17 H HIS 17 7.065 -0.858 -19.162 1705 HA HIS 17 HA HIS 17 6.470 -2.531 -17.748 1706 1HB HIS 17 2HB HIS 17 9.446 -2.810 -17.293 1707 2HB HIS 17 1HB HIS 17 8.226 -3.941 -16.720 1708 HD1 HIS 17 1HD HIS 17 6.580 -4.699 -18.954 1709 HD2 HIS 17 2HD HIS 17 10.583 -3.756 -19.544 1710 HE1 HIS 17 1HE HIS 17 7.211 -5.782 -21.134 1711 HE2 HIS 17 2HE HIS 17 9.614 -5.127 -21.511 1712 H LYS 18 H LYS 18 9.124 -0.632 -16.274 1713 HA LYS 18 HA LYS 18 7.351 0.197 -14.150 1714 1HB LYS 18 2HB LYS 18 9.812 -1.449 -13.530 1715 2HB LYS 18 1HB LYS 18 8.812 -0.627 -12.341 1716 1HG LYS 18 2HG LYS 18 6.910 -2.036 -12.981 1717 2HG LYS 18 1HG LYS 18 7.939 -2.877 -14.141 1718 1HD LYS 18 2HD LYS 18 8.370 -2.763 -11.157 1719 2HD LYS 18 1HD LYS 18 7.724 -4.138 -12.056 1720 1HE LYS 18 2HE LYS 18 9.827 -4.303 -13.302 1721 2HE LYS 18 1HE LYS 18 10.469 -2.933 -12.398 1722 1HZ LYS 18 1HZ LYS 18 11.275 -4.946 -11.431 1723 2HZ LYS 18 2HZ LYS 18 9.715 -5.587 -11.306 1724 3HZ LYS 18 3HZ LYS 18 10.161 -4.263 -10.354 Start of MODEL 19 1 1H MET 1 1HT MET 1 -25.282 -6.092 -11.767 2 2H MET 1 2HT MET 1 -25.709 -6.633 -10.195 3 3H MET 1 3HT MET 1 -26.711 -7.009 -11.537 4 HA MET 1 HA MET 1 -25.476 -8.904 -10.921 5 1HB MET 1 2HB MET 1 -24.409 -9.328 -13.093 6 2HB MET 1 1HB MET 1 -25.955 -8.516 -13.285 7 1HG MET 1 2HG MET 1 -24.806 -6.395 -13.632 8 2HG MET 1 1HG MET 1 -23.252 -7.200 -13.422 9 1HE MET 1 1HE MET 1 -22.430 -9.135 -16.142 10 2HE MET 1 2HE MET 1 -23.917 -10.049 -15.885 11 3HE MET 1 3HE MET 1 -22.988 -9.466 -14.502 12 H CYS 2 H CYS 2 -23.348 -6.161 -11.687 13 HA CYS 2 HA CYS 2 -21.537 -6.691 -9.622 14 1HB CYS 2 2HB CYS 2 -19.595 -7.508 -10.905 15 2HB CYS 2 1HB CYS 2 -20.921 -8.667 -10.911 16 HG CYS 2 HG CYS 2 -20.057 -6.981 -13.372 17 H ASP 3 H ASP 3 -21.873 -5.447 -12.917 18 HA ASP 3 HA ASP 3 -21.349 -3.444 -13.854 19 1HB ASP 3 2HB ASP 3 -21.146 -2.546 -10.970 20 2HB ASP 3 1HB ASP 3 -21.178 -1.471 -12.365 21 H ARG 4 H ARG 4 -19.531 -2.750 -14.800 22 HA ARG 4 HA ARG 4 -17.327 -2.448 -15.262 23 1HB ARG 4 2HB ARG 4 -17.273 -2.100 -12.270 24 2HB ARG 4 1HB ARG 4 -15.829 -1.935 -13.257 25 1HG ARG 4 2HG ARG 4 -16.872 0.222 -12.746 26 2HG ARG 4 1HG ARG 4 -16.822 -0.105 -14.479 27 1HD ARG 4 2HD ARG 4 -19.155 -0.752 -14.454 28 2HD ARG 4 1HD ARG 4 -19.221 -0.551 -12.704 29 HE ARG 4 HE ARG 4 -18.385 1.866 -13.797 30 1HH1 ARG 4 1HH1 ARG 4 -21.217 -0.172 -13.856 31 2HH1 ARG 4 2HH1 ARG 4 -22.315 1.149 -14.075 32 1HH2 ARG 4 1HH2 ARG 4 -19.828 3.603 -14.087 33 2HH2 ARG 4 2HH2 ARG 4 -21.527 3.293 -14.206 34 H LYS 5 H LYS 5 -15.685 -3.765 -15.779 35 HA LYS 5 HA LYS 5 -15.804 -6.493 -15.119 36 1HB LYS 5 2HB LYS 5 -13.542 -4.930 -16.359 37 2HB LYS 5 1HB LYS 5 -13.694 -6.683 -16.358 38 1HG LYS 5 2HG LYS 5 -15.928 -6.318 -17.532 39 2HG LYS 5 1HG LYS 5 -15.372 -4.664 -17.799 40 1HD LYS 5 2HD LYS 5 -13.371 -5.531 -18.914 41 2HD LYS 5 1HD LYS 5 -13.955 -7.176 -18.657 42 1HE LYS 5 2HE LYS 5 -15.332 -5.041 -20.284 43 2HE LYS 5 1HE LYS 5 -14.427 -6.407 -20.931 44 1HZ LYS 5 1HZ LYS 5 -16.895 -6.589 -19.288 45 2HZ LYS 5 2HZ LYS 5 -16.024 -7.903 -19.900 46 3HZ LYS 5 3HZ LYS 5 -16.799 -6.835 -20.958 47 H ALA 6 H ALA 6 -12.558 -6.048 -14.909 48 HA ALA 6 HA ALA 6 -11.004 -6.117 -13.251 49 1HB ALA 6 1HB ALA 6 -11.331 -4.937 -11.244 50 2HB ALA 6 2HB ALA 6 -13.082 -5.142 -11.311 51 3HB ALA 6 3HB ALA 6 -12.277 -4.065 -12.451 52 H VAL 7 H VAL 7 -10.316 -7.978 -12.415 53 HA VAL 7 HA VAL 7 -12.235 -9.958 -11.543 54 HB VAL 7 HB VAL 7 -10.288 -11.444 -11.386 55 1HG1 VAL 7 1HG1 VAL 7 -11.503 -11.303 -13.478 56 2HG1 VAL 7 2HG1 VAL 7 -9.782 -11.533 -13.788 57 3HG1 VAL 7 3HG1 VAL 7 -10.508 -9.938 -13.984 58 1HG2 VAL 7 1HG2 VAL 7 -8.096 -10.745 -12.085 59 2HG2 VAL 7 2HG2 VAL 7 -8.640 -9.699 -10.774 60 3HG2 VAL 7 3HG2 VAL 7 -8.688 -9.122 -12.440 61 H ILE 8 H ILE 8 -12.461 -10.738 -9.509 62 HA ILE 8 HA ILE 8 -11.365 -9.132 -7.359 63 HB ILE 8 HB ILE 8 -13.294 -11.460 -7.303 64 1HG1 ILE 8 2HG1 ILE 8 -14.941 -9.697 -6.687 65 2HG1 ILE 8 1HG1 ILE 8 -13.695 -8.481 -6.948 66 1HG2 ILE 8 1HG2 ILE 8 -13.716 -10.586 -4.934 67 2HG2 ILE 8 2HG2 ILE 8 -12.157 -9.779 -5.093 68 3HG2 ILE 8 3HG2 ILE 8 -12.255 -11.535 -5.208 69 1HD1 ILE 8 1HD1 ILE 8 -15.401 -8.916 -8.805 70 2HD1 ILE 8 2HD1 ILE 8 -14.471 -10.381 -9.122 71 3HD1 ILE 8 3HD1 ILE 8 -13.697 -8.803 -9.245 72 H LYS 9 H LYS 9 -9.474 -9.598 -6.453 73 HA LYS 9 HA LYS 9 -8.174 -12.110 -6.913 74 1HB LYS 9 2HB LYS 9 -6.972 -9.923 -6.767 75 2HB LYS 9 1HB LYS 9 -7.339 -9.884 -5.046 76 1HG LYS 9 2HG LYS 9 -5.073 -10.666 -5.452 77 2HG LYS 9 1HG LYS 9 -6.061 -11.929 -4.715 78 1HD LYS 9 2HD LYS 9 -6.392 -12.961 -6.905 79 2HD LYS 9 1HD LYS 9 -5.435 -11.685 -7.658 80 1HE LYS 9 2HE LYS 9 -4.112 -13.711 -7.339 81 2HE LYS 9 1HE LYS 9 -3.481 -12.380 -6.372 82 1HZ LYS 9 1HZ LYS 9 -5.389 -13.859 -4.890 83 2HZ LYS 9 2HZ LYS 9 -3.760 -13.568 -4.539 84 3HZ LYS 9 3HZ LYS 9 -4.193 -14.898 -5.489 85 H ASN 10 H ASN 10 -9.552 -10.474 -4.087 86 HA ASN 10 HA ASN 10 -10.217 -12.995 -2.874 87 1HB ASN 10 2HB ASN 10 -8.184 -11.198 -1.529 88 2HB ASN 10 1HB ASN 10 -8.959 -12.589 -0.779 89 1HD2 ASN 10 1HD2 ASN 10 -6.219 -11.582 -2.198 90 2HD2 ASN 10 2HD2 ASN 10 -5.616 -13.084 -2.802 91 H ALA 11 H ALA 11 -12.279 -12.519 -2.454 92 HA ALA 11 HA ALA 11 -13.077 -9.882 -1.569 93 1HB ALA 11 1HB ALA 11 -15.342 -10.712 -1.723 94 2HB ALA 11 2HB ALA 11 -14.759 -12.367 -1.904 95 3HB ALA 11 3HB ALA 11 -14.446 -11.178 -3.169 96 H ASP 12 H ASP 12 -14.056 -9.399 0.430 97 HA ASP 12 HA ASP 12 -14.362 -11.360 2.478 98 1HB ASP 12 2HB ASP 12 -11.875 -11.101 2.403 99 2HB ASP 12 1HB ASP 12 -12.085 -9.408 2.834 100 H MET 13 H MET 13 -16.310 -9.870 1.757 101 HA MET 13 HA MET 13 -17.110 -8.421 3.993 102 1HB MET 13 2HB MET 13 -17.118 -6.113 3.150 103 2HB MET 13 1HB MET 13 -15.484 -6.736 3.291 104 1HG MET 13 2HG MET 13 -15.271 -6.996 0.958 105 2HG MET 13 1HG MET 13 -16.999 -6.759 0.702 106 1HE MET 13 1HE MET 13 -14.282 -5.298 2.723 107 2HE MET 13 2HE MET 13 -14.771 -3.610 2.869 108 3HE MET 13 3HE MET 13 -13.633 -4.094 1.611 109 H SER 14 H SER 14 -18.871 -6.558 2.830 110 HA SER 14 HA SER 14 -20.948 -8.279 1.958 111 1HB SER 14 2HB SER 14 -20.780 -5.258 1.920 112 2HB SER 14 1HB SER 14 -22.253 -6.195 1.664 113 HG SER 14 HG SER 14 -22.334 -5.814 3.777 114 H GLU 15 H GLU 15 -21.744 -8.704 -0.039 115 HA GLU 15 HA GLU 15 -20.099 -8.525 -2.276 116 1HB GLU 15 2HB GLU 15 -23.100 -8.860 -2.188 117 2HB GLU 15 1HB GLU 15 -22.080 -9.205 -3.579 118 1HG GLU 15 2HG GLU 15 -20.933 -10.943 -2.307 119 2HG GLU 15 1HG GLU 15 -21.956 -10.597 -0.913 120 H GLU 16 H GLU 16 -22.819 -6.486 -1.309 121 HA GLU 16 HA GLU 16 -22.929 -4.872 -3.592 122 1HB GLU 16 2HB GLU 16 -24.094 -3.239 -2.170 123 2HB GLU 16 1HB GLU 16 -24.698 -4.870 -1.918 124 1HG GLU 16 2HG GLU 16 -23.363 -5.050 0.119 125 2HG GLU 16 1HG GLU 16 -22.761 -3.413 -0.133 126 H MET 17 H MET 17 -21.067 -4.488 -0.599 127 HA MET 17 HA MET 17 -19.967 -1.983 -1.133 128 1HB MET 17 2HB MET 17 -18.803 -4.305 0.410 129 2HB MET 17 1HB MET 17 -18.153 -2.670 0.434 130 1HG MET 17 2HG MET 17 -20.193 -1.832 1.411 131 2HG MET 17 1HG MET 17 -20.934 -3.426 1.300 132 1HE MET 17 1HE MET 17 -17.859 -1.673 3.945 133 2HE MET 17 2HE MET 17 -17.781 -1.760 2.185 134 3HE MET 17 3HE MET 17 -16.993 -2.997 3.164 135 H GLN 18 H GLN 18 -18.817 -5.211 -1.998 136 HA GLN 18 HA GLN 18 -16.371 -4.471 -3.130 137 1HB GLN 18 2HB GLN 18 -18.176 -6.750 -3.948 138 2HB GLN 18 1HB GLN 18 -16.458 -6.618 -4.300 139 1HG GLN 18 2HG GLN 18 -15.909 -6.798 -1.976 140 2HG GLN 18 1HG GLN 18 -17.613 -6.741 -1.528 141 1HE2 GLN 18 1HE2 GLN 18 -18.443 -8.620 -1.032 142 2HE2 GLN 18 2HE2 GLN 18 -17.965 -10.152 -1.666 143 H GLN 19 H GLN 19 -19.567 -4.813 -4.600 144 HA GLN 19 HA GLN 19 -18.800 -4.235 -7.240 145 1HB GLN 19 2HB GLN 19 -21.459 -3.753 -5.885 146 2HB GLN 19 1HB GLN 19 -21.189 -3.737 -7.621 147 1HG GLN 19 2HG GLN 19 -20.536 -6.090 -7.542 148 2HG GLN 19 1HG GLN 19 -20.807 -6.104 -5.801 149 1HE2 GLN 19 1HE2 GLN 19 -22.648 -6.990 -5.244 150 2HE2 GLN 19 2HE2 GLN 19 -24.121 -6.952 -6.148 151 H ASP 20 H ASP 20 -19.954 -2.146 -4.634 152 HA ASP 20 HA ASP 20 -20.010 0.243 -6.127 153 1HB ASP 20 2HB ASP 20 -21.159 0.003 -3.963 154 2HB ASP 20 1HB ASP 20 -19.602 -0.127 -3.150 155 H SER 21 H SER 21 -17.460 -1.341 -4.292 156 HA SER 21 HA SER 21 -15.613 0.807 -4.449 157 1HB SER 21 2HB SER 21 -15.350 -0.992 -2.799 158 2HB SER 21 1HB SER 21 -15.102 -2.160 -4.097 159 HG SER 21 HG SER 21 -13.137 -1.376 -4.456 160 H VAL 22 H VAL 22 -16.167 -2.079 -6.414 161 HA VAL 22 HA VAL 22 -14.032 -1.645 -8.216 162 HB VAL 22 HB VAL 22 -16.622 -3.123 -8.713 163 1HG1 VAL 22 1HG1 VAL 22 -15.481 -4.266 -10.478 164 2HG1 VAL 22 2HG1 VAL 22 -13.958 -3.470 -10.079 165 3HG1 VAL 22 3HG1 VAL 22 -15.297 -2.532 -10.740 166 1HG2 VAL 22 1HG2 VAL 22 -15.909 -4.660 -7.279 167 2HG2 VAL 22 2HG2 VAL 22 -14.458 -3.713 -6.952 168 3HG2 VAL 22 3HG2 VAL 22 -14.464 -4.893 -8.263 169 H GLU 23 H GLU 23 -17.468 -0.808 -8.326 170 HA GLU 23 HA GLU 23 -17.383 0.422 -10.872 171 1HB GLU 23 2HB GLU 23 -19.477 -0.365 -9.883 172 2HB GLU 23 1HB GLU 23 -19.314 0.799 -8.576 173 1HG GLU 23 2HG GLU 23 -19.504 2.625 -10.182 174 2HG GLU 23 1HG GLU 23 -19.675 1.456 -11.488 175 H CYS 24 H CYS 24 -17.077 1.602 -7.572 176 HA CYS 24 HA CYS 24 -16.974 4.352 -8.185 177 1HB CYS 24 2HB CYS 24 -17.414 3.496 -5.920 178 2HB CYS 24 1HB CYS 24 -15.768 2.877 -5.834 179 HG CYS 24 HG CYS 24 -15.062 5.509 -6.053 180 H ALA 25 H ALA 25 -14.522 1.841 -8.118 181 HA ALA 25 HA ALA 25 -12.286 3.595 -8.278 182 1HB ALA 25 1HB ALA 25 -10.973 1.670 -8.587 183 2HB ALA 25 2HB ALA 25 -12.322 0.753 -9.257 184 3HB ALA 25 3HB ALA 25 -12.294 1.149 -7.540 185 H THR 26 H THR 26 -14.290 1.858 -10.595 186 HA THR 26 HA THR 26 -12.835 2.376 -12.900 187 HB THR 26 HB THR 26 -15.828 2.118 -12.573 188 HG1 THR 26 1HG THR 26 -14.413 0.331 -11.909 189 1HG2 THR 26 1HG2 THR 26 -14.955 3.078 -14.794 190 2HG2 THR 26 2HG2 THR 26 -16.067 1.710 -14.836 191 3HG2 THR 26 3HG2 THR 26 -14.339 1.451 -15.075 192 H GLN 27 H GLN 27 -15.370 4.256 -11.319 193 HA GLN 27 HA GLN 27 -15.507 6.347 -13.192 194 1HB GLN 27 2HB GLN 27 -15.983 6.444 -10.204 195 2HB GLN 27 1HB GLN 27 -16.490 7.671 -11.355 196 1HG GLN 27 2HG GLN 27 -17.950 6.051 -12.446 197 2HG GLN 27 1HG GLN 27 -17.435 4.815 -11.303 198 1HE2 GLN 27 1HE2 GLN 27 -17.531 7.615 -9.578 199 2HE2 GLN 27 2HE2 GLN 27 -19.142 7.518 -8.967 200 H ALA 28 H ALA 28 -13.539 5.890 -10.291 201 HA ALA 28 HA ALA 28 -12.240 8.315 -10.146 202 1HB ALA 28 1HB ALA 28 -10.868 7.302 -8.659 203 2HB ALA 28 2HB ALA 28 -10.542 5.940 -9.730 204 3HB ALA 28 3HB ALA 28 -12.038 5.990 -8.805 205 H LEU 29 H LEU 29 -11.535 5.557 -12.225 206 HA LEU 29 HA LEU 29 -9.131 6.556 -13.305 207 1HB LEU 29 2HB LEU 29 -11.119 4.537 -14.294 208 2HB LEU 29 1HB LEU 29 -9.674 4.944 -15.204 209 HG LEU 29 HG LEU 29 -9.576 3.974 -12.362 210 1HD1 LEU 29 1HD1 LEU 29 -9.527 1.790 -13.015 211 2HD1 LEU 29 2HD1 LEU 29 -8.895 2.169 -14.617 212 3HD1 LEU 29 3HD1 LEU 29 -10.605 2.421 -14.260 213 1HD2 LEU 29 1HD2 LEU 29 -7.267 3.542 -12.829 214 2HD2 LEU 29 2HD2 LEU 29 -7.627 5.208 -13.284 215 3HD2 LEU 29 3HD2 LEU 29 -7.484 3.965 -14.527 216 H GLU 30 H GLU 30 -12.438 6.570 -14.573 217 HA GLU 30 HA GLU 30 -11.800 8.130 -16.869 218 1HB GLU 30 2HB GLU 30 -14.469 7.658 -15.525 219 2HB GLU 30 1HB GLU 30 -14.245 8.355 -17.124 220 1HG GLU 30 2HG GLU 30 -13.229 6.274 -17.894 221 2HG GLU 30 1HG GLU 30 -13.453 5.574 -16.290 222 H LYS 31 H LYS 31 -12.697 8.872 -13.596 223 HA LYS 31 HA LYS 31 -13.317 11.629 -14.126 224 1HB LYS 31 2HB LYS 31 -13.204 9.897 -11.696 225 2HB LYS 31 1HB LYS 31 -13.195 11.644 -11.504 226 1HG LYS 31 2HG LYS 31 -15.438 10.606 -11.330 227 2HG LYS 31 1HG LYS 31 -15.316 11.846 -12.576 228 1HD LYS 31 2HD LYS 31 -14.969 10.009 -14.244 229 2HD LYS 31 1HD LYS 31 -15.328 8.858 -12.956 230 1HE LYS 31 2HE LYS 31 -17.527 9.876 -12.650 231 2HE LYS 31 1HE LYS 31 -17.173 11.031 -13.933 232 1HZ LYS 31 1HZ LYS 31 -16.876 8.224 -14.623 233 2HZ LYS 31 2HZ LYS 31 -17.518 9.500 -15.529 234 3HZ LYS 31 3HZ LYS 31 -18.459 8.750 -14.340 235 H TYR 32 H TYR 32 -10.532 9.794 -13.016 236 HA TYR 32 HA TYR 32 -9.014 12.306 -13.062 237 1HB TYR 32 2HB TYR 32 -8.703 10.131 -10.986 238 2HB TYR 32 1HB TYR 32 -7.726 11.593 -11.102 239 HD1 TYR 32 1HD TYR 32 -9.265 13.826 -11.218 240 HD2 TYR 32 2HD TYR 32 -10.353 10.144 -9.388 241 HE1 TYR 32 1HE TYR 32 -10.881 15.017 -9.798 242 HE2 TYR 32 2HE TYR 32 -11.972 11.322 -7.963 243 HH TYR 32 HH TYR 32 -12.006 14.155 -7.172 244 H ASN 33 H ASN 33 -8.818 8.766 -13.148 245 HA ASN 33 HA ASN 33 -7.474 7.360 -14.332 246 1HB ASN 33 2HB ASN 33 -8.043 8.930 -16.225 247 2HB ASN 33 1HB ASN 33 -6.554 9.800 -15.867 248 1HD2 ASN 33 1HD2 ASN 33 -7.879 7.559 -17.822 249 2HD2 ASN 33 2HD2 ASN 33 -6.463 6.683 -18.283 250 H ILE 34 H ILE 34 -6.558 8.059 -11.923 251 HA ILE 34 HA ILE 34 -3.674 7.962 -12.293 252 HB ILE 34 HB ILE 34 -4.954 10.009 -10.473 253 1HG1 ILE 34 2HG1 ILE 34 -3.327 10.358 -13.001 254 2HG1 ILE 34 1HG1 ILE 34 -5.050 10.678 -12.829 255 1HG2 ILE 34 1HG2 ILE 34 -3.016 10.194 -9.396 256 2HG2 ILE 34 2HG2 ILE 34 -2.112 10.289 -10.907 257 3HG2 ILE 34 3HG2 ILE 34 -2.501 8.717 -10.210 258 1HD1 ILE 34 1HD1 ILE 34 -3.131 12.553 -12.637 259 2HD1 ILE 34 2HD1 ILE 34 -3.317 12.107 -10.940 260 3HD1 ILE 34 3HD1 ILE 34 -4.710 12.671 -11.862 261 H GLU 35 H GLU 35 -3.135 6.183 -11.251 262 HA GLU 35 HA GLU 35 -4.573 4.655 -9.542 263 1HB GLU 35 2HB GLU 35 -1.578 5.029 -9.388 264 2HB GLU 35 1HB GLU 35 -2.483 3.627 -8.830 265 1HG GLU 35 2HG GLU 35 -3.177 3.153 -11.118 266 2HG GLU 35 1HG GLU 35 -2.290 4.565 -11.686 267 H LYS 36 H LYS 36 -2.283 7.184 -8.520 268 HA LYS 36 HA LYS 36 -2.570 6.884 -5.764 269 1HB LYS 36 2HB LYS 36 -0.843 8.298 -6.759 270 2HB LYS 36 1HB LYS 36 -2.069 9.416 -7.339 271 1HG LYS 36 2HG LYS 36 -2.719 9.738 -4.905 272 2HG LYS 36 1HG LYS 36 -1.224 8.890 -4.506 273 1HD LYS 36 2HD LYS 36 -0.856 11.280 -4.444 274 2HD LYS 36 1HD LYS 36 0.039 10.578 -5.789 275 1HE LYS 36 2HE LYS 36 -1.679 11.297 -7.344 276 2HE LYS 36 1HE LYS 36 -2.645 11.931 -6.013 277 1HZ LYS 36 1HZ LYS 36 -1.612 13.829 -6.604 278 2HZ LYS 36 2HZ LYS 36 -0.277 13.043 -7.284 279 3HZ LYS 36 3HZ LYS 36 -0.380 13.236 -5.606 280 H ASP 37 H ASP 37 -4.243 9.247 -7.851 281 HA ASP 37 HA ASP 37 -5.928 10.301 -5.903 282 1HB ASP 37 2HB ASP 37 -6.385 10.056 -8.880 283 2HB ASP 37 1HB ASP 37 -7.329 11.077 -7.800 284 H ILE 38 H ILE 38 -6.498 7.587 -8.116 285 HA ILE 38 HA ILE 38 -9.152 7.074 -7.685 286 HB ILE 38 HB ILE 38 -6.925 5.042 -7.918 287 1HG1 ILE 38 2HG1 ILE 38 -8.760 6.187 -10.031 288 2HG1 ILE 38 1HG1 ILE 38 -7.092 6.671 -9.785 289 1HG2 ILE 38 1HG2 ILE 38 -9.882 4.683 -8.384 290 2HG2 ILE 38 2HG2 ILE 38 -8.960 4.020 -7.034 291 3HG2 ILE 38 3HG2 ILE 38 -8.631 3.475 -8.678 292 1HD1 ILE 38 1HD1 ILE 38 -8.195 4.197 -10.971 293 2HD1 ILE 38 2HD1 ILE 38 -6.674 4.083 -10.085 294 3HD1 ILE 38 3HD1 ILE 38 -6.812 5.175 -11.464 295 H ALA 39 H ALA 39 -6.465 5.771 -5.753 296 HA ALA 39 HA ALA 39 -8.064 4.438 -3.866 297 1HB ALA 39 1HB ALA 39 -5.884 3.686 -3.952 298 2HB ALA 39 2HB ALA 39 -5.895 4.628 -2.461 299 3HB ALA 39 3HB ALA 39 -5.210 5.316 -3.934 300 H ALA 40 H ALA 40 -6.837 7.735 -3.959 301 HA ALA 40 HA ALA 40 -7.335 8.365 -1.250 302 1HB ALA 40 1HB ALA 40 -5.876 9.832 -2.246 303 2HB ALA 40 2HB ALA 40 -7.367 10.775 -2.244 304 3HB ALA 40 3HB ALA 40 -6.839 9.962 -3.718 305 H HIS 41 H HIS 41 -9.182 9.394 -4.129 306 HA HIS 41 HA HIS 41 -11.294 10.523 -2.695 307 1HB HIS 41 2HB HIS 41 -12.081 11.065 -4.731 308 2HB HIS 41 1HB HIS 41 -10.584 10.367 -5.337 309 HD1 HIS 41 1HD HIS 41 -14.204 9.448 -4.764 310 HD2 HIS 41 2HD HIS 41 -10.899 8.161 -6.925 311 HE1 HIS 41 1HE HIS 41 -15.068 7.658 -6.301 312 HE2 HIS 41 2HE HIS 41 -13.083 6.992 -7.694 313 H ILE 42 H ILE 42 -10.936 7.231 -4.009 314 HA ILE 42 HA ILE 42 -13.508 6.319 -3.426 315 HB ILE 42 HB ILE 42 -10.908 4.794 -3.552 316 1HG1 ILE 42 2HG1 ILE 42 -13.199 5.025 -5.504 317 2HG1 ILE 42 1HG1 ILE 42 -11.666 5.882 -5.636 318 1HG2 ILE 42 1HG2 ILE 42 -12.638 2.860 -3.996 319 2HG2 ILE 42 2HG2 ILE 42 -13.677 3.866 -2.985 320 3HG2 ILE 42 3HG2 ILE 42 -12.136 3.278 -2.357 321 1HD1 ILE 42 1HD1 ILE 42 -11.043 4.167 -6.906 322 2HD1 ILE 42 2HD1 ILE 42 -12.350 3.139 -6.326 323 3HD1 ILE 42 3HD1 ILE 42 -10.862 3.285 -5.390 324 H LYS 43 H LYS 43 -10.558 5.918 -1.418 325 HA LYS 43 HA LYS 43 -11.861 4.664 0.709 326 1HB LYS 43 2HB LYS 43 -9.913 5.277 2.073 327 2HB LYS 43 1HB LYS 43 -9.451 4.617 0.518 328 1HG LYS 43 2HG LYS 43 -7.993 6.368 0.747 329 2HG LYS 43 1HG LYS 43 -9.278 7.087 -0.212 330 1HD LYS 43 2HD LYS 43 -8.601 8.632 1.509 331 2HD LYS 43 1HD LYS 43 -10.227 8.064 1.858 332 1HE LYS 43 2HE LYS 43 -7.824 6.759 3.083 333 2HE LYS 43 1HE LYS 43 -8.538 8.206 3.788 334 1HZ LYS 43 1HZ LYS 43 -9.907 6.840 4.845 335 2HZ LYS 43 2HZ LYS 43 -9.428 5.502 3.927 336 3HZ LYS 43 3HZ LYS 43 -10.655 6.521 3.360 337 H LYS 44 H LYS 44 -11.565 8.060 -0.085 338 HA LYS 44 HA LYS 44 -12.389 9.079 2.415 339 1HB LYS 44 2HB LYS 44 -12.499 10.237 -0.363 340 2HB LYS 44 1HB LYS 44 -12.997 11.136 1.064 341 1HG LYS 44 2HG LYS 44 -10.786 11.025 1.981 342 2HG LYS 44 1HG LYS 44 -10.256 9.951 0.688 343 1HD LYS 44 2HD LYS 44 -9.510 12.251 0.306 344 2HD LYS 44 1HD LYS 44 -10.631 11.722 -0.950 345 1HE LYS 44 2HE LYS 44 -12.450 12.901 0.174 346 2HE LYS 44 1HE LYS 44 -11.342 13.416 1.444 347 1HZ LYS 44 1HZ LYS 44 -10.926 15.191 0.207 348 2HZ LYS 44 2HZ LYS 44 -11.814 14.582 -1.097 349 3HZ LYS 44 3HZ LYS 44 -10.177 14.190 -0.933 350 H GLU 45 H GLU 45 -14.225 8.352 -0.531 351 HA GLU 45 HA GLU 45 -16.716 9.223 0.416 352 1HB GLU 45 2HB GLU 45 -16.098 7.048 -1.590 353 2HB GLU 45 1HB GLU 45 -17.673 7.792 -1.357 354 1HG GLU 45 2HG GLU 45 -15.174 9.200 -2.271 355 2HG GLU 45 1HG GLU 45 -16.527 8.714 -3.292 356 H PHE 46 H PHE 46 -15.142 6.054 0.587 357 HA PHE 46 HA PHE 46 -17.352 4.761 1.804 358 1HB PHE 46 2HB PHE 46 -14.469 4.012 1.480 359 2HB PHE 46 1HB PHE 46 -15.595 2.997 2.375 360 HD1 PHE 46 1HD PHE 46 -15.522 4.809 -0.897 361 HD2 PHE 46 2HD PHE 46 -16.493 1.253 1.217 362 HE1 PHE 46 1HE PHE 46 -16.257 3.764 -3.000 363 HE2 PHE 46 2HE PHE 46 -17.227 0.198 -0.872 364 HZ PHE 46 HZ PHE 46 -17.110 1.451 -2.990 365 H ASP 47 H ASP 47 -14.396 6.208 3.168 366 HA ASP 47 HA ASP 47 -14.910 5.300 5.796 367 1HB ASP 47 2HB ASP 47 -13.325 7.041 6.543 368 2HB ASP 47 1HB ASP 47 -12.693 6.079 5.212 369 H LYS 48 H LYS 48 -16.062 8.046 3.983 370 HA LYS 48 HA LYS 48 -17.147 9.431 6.225 371 1HB LYS 48 2HB LYS 48 -16.588 10.653 4.223 372 2HB LYS 48 1HB LYS 48 -17.664 9.651 3.260 373 1HG LYS 48 2HG LYS 48 -18.625 11.840 3.704 374 2HG LYS 48 1HG LYS 48 -19.584 10.550 4.432 375 1HD LYS 48 2HD LYS 48 -19.346 12.440 5.962 376 2HD LYS 48 1HD LYS 48 -18.552 10.999 6.601 377 1HE LYS 48 2HE LYS 48 -16.392 11.848 5.814 378 2HE LYS 48 1HE LYS 48 -17.190 13.286 5.179 379 1HZ LYS 48 1HZ LYS 48 -16.092 13.166 7.592 380 2HZ LYS 48 2HZ LYS 48 -17.670 12.701 7.984 381 3HZ LYS 48 3HZ LYS 48 -17.391 14.184 7.218 382 H LYS 49 H LYS 49 -18.424 7.178 3.829 383 HA LYS 49 HA LYS 49 -21.107 7.341 4.868 384 1HB LYS 49 2HB LYS 49 -19.914 5.462 2.836 385 2HB LYS 49 1HB LYS 49 -21.626 5.619 3.194 386 1HG LYS 49 2HG LYS 49 -21.565 7.944 2.428 387 2HG LYS 49 1HG LYS 49 -19.851 7.763 2.050 388 1HD LYS 49 2HD LYS 49 -20.392 6.001 0.440 389 2HD LYS 49 1HD LYS 49 -22.107 6.176 0.822 390 1HE LYS 49 2HE LYS 49 -20.326 8.305 -0.363 391 2HE LYS 49 1HE LYS 49 -21.525 7.354 -1.239 392 1HZ LYS 49 1HZ LYS 49 -22.378 9.535 -0.648 393 2HZ LYS 49 2HZ LYS 49 -22.106 9.226 0.992 394 3HZ LYS 49 3HZ LYS 49 -23.252 8.321 0.141 395 H TYR 50 H TYR 50 -18.628 4.813 4.740 396 HA TYR 50 HA TYR 50 -20.178 3.132 6.520 397 1HB TYR 50 2HB TYR 50 -17.512 2.690 5.181 398 2HB TYR 50 1HB TYR 50 -18.346 1.492 6.167 399 HD1 TYR 50 1HD TYR 50 -19.157 3.759 3.301 400 HD2 TYR 50 2HD TYR 50 -19.513 -0.120 5.005 401 HE1 TYR 50 1HE TYR 50 -20.423 3.027 1.334 402 HE2 TYR 50 2HE TYR 50 -20.776 -0.872 3.033 403 HH TYR 50 HH TYR 50 -20.773 0.382 0.256 404 H ASN 51 H ASN 51 -17.755 5.481 6.835 405 HA ASN 51 HA ASN 51 -17.019 6.394 8.853 406 1HB ASN 51 2HB ASN 51 -18.627 4.929 10.126 407 2HB ASN 51 1HB ASN 51 -17.392 3.674 10.123 408 1HD2 ASN 51 1HD2 ASN 51 -16.198 3.577 11.863 409 2HD2 ASN 51 2HD2 ASN 51 -15.843 4.885 12.936 410 HA PRO 52 HA PRO 52 -12.851 5.334 7.826 411 1HB PRO 52 2HB PRO 52 -11.641 6.505 10.032 412 2HB PRO 52 1HB PRO 52 -12.086 7.350 8.546 413 1HG PRO 52 2HG PRO 52 -13.553 7.186 11.145 414 2HG PRO 52 1HG PRO 52 -13.342 8.574 10.060 415 1HD PRO 52 2HD PRO 52 -15.636 7.206 10.117 416 2HD PRO 52 1HD PRO 52 -14.980 7.829 8.589 417 H THR 53 H THR 53 -11.196 3.012 9.986 418 HA THR 53 HA THR 53 -11.030 5.232 8.063 419 HB THR 53 HB THR 53 -9.472 5.404 9.970 420 HG1 THR 53 1HG THR 53 -8.805 6.219 7.957 421 1HG2 THR 53 1HG2 THR 53 -9.073 3.109 10.520 422 2HG2 THR 53 2HG2 THR 53 -7.544 3.871 10.080 423 3HG2 THR 53 3HG2 THR 53 -8.363 2.810 8.933 424 H TRP 54 H TRP 54 -10.563 4.808 5.985 425 HA TRP 54 HA TRP 54 -10.270 1.991 5.255 426 1HB TRP 54 2HB TRP 54 -11.153 4.379 3.644 427 2HB TRP 54 1HB TRP 54 -10.934 2.765 2.972 428 HD1 TRP 54 HD TRP 54 -12.905 4.293 5.948 429 HE1 TRP 54 1HE TRP 54 -15.197 3.142 6.045 430 HE3 TRP 54 3HE TRP 54 -12.327 1.039 2.053 431 HZ2 TRP 54 2HZ TRP 54 -16.579 1.097 4.648 432 HZ3 TRP 54 3HZ TRP 54 -14.175 -0.488 1.505 433 HH2 TRP 54 HH TRP 54 -16.257 -0.456 2.779 434 H HIS 55 H HIS 55 -8.509 1.186 4.406 435 HA HIS 55 HA HIS 55 -6.340 3.017 3.640 436 1HB HIS 55 2HB HIS 55 -6.046 0.053 4.099 437 2HB HIS 55 1HB HIS 55 -4.812 1.307 4.200 438 HD1 HIS 55 1HD HIS 55 -5.732 3.216 6.215 439 HD2 HIS 55 2HD HIS 55 -6.582 -0.829 6.577 440 HE1 HIS 55 1HE HIS 55 -6.178 2.843 8.659 441 HE2 HIS 55 2HE HIS 55 -6.603 0.369 8.869 442 H CYS 56 H CYS 56 -5.549 2.964 1.528 443 HA CYS 56 HA CYS 56 -6.512 0.810 -0.202 444 1HB CYS 56 2HB CYS 56 -8.184 2.641 -0.314 445 2HB CYS 56 1HB CYS 56 -6.920 3.719 -0.898 446 HG CYS 56 HG CYS 56 -8.485 2.476 -2.793 447 H ILE 57 H ILE 57 -5.424 0.549 -2.152 448 HA ILE 57 HA ILE 57 -3.048 2.144 -2.682 449 HB ILE 57 HB ILE 57 -2.879 -0.843 -2.236 450 1HG1 ILE 57 2HG1 ILE 57 -1.725 1.440 -0.620 451 2HG1 ILE 57 1HG1 ILE 57 -3.065 0.410 -0.126 452 1HG2 ILE 57 1HG2 ILE 57 -1.413 -0.039 -4.023 453 2HG2 ILE 57 2HG2 ILE 57 -0.488 -0.566 -2.616 454 3HG2 ILE 57 3HG2 ILE 57 -0.727 1.156 -2.921 455 1HD1 ILE 57 1HD1 ILE 57 -0.306 -0.622 -0.711 456 2HD1 ILE 57 2HD1 ILE 57 -1.644 -1.483 0.050 457 3HD1 ILE 57 3HD1 ILE 57 -0.860 -0.147 0.895 458 H VAL 58 H VAL 58 -2.266 1.877 -4.840 459 HA VAL 58 HA VAL 58 -3.624 0.022 -6.601 460 HB VAL 58 HB VAL 58 -3.940 3.000 -7.030 461 1HG1 VAL 58 1HG1 VAL 58 -5.225 2.442 -8.982 462 2HG1 VAL 58 2HG1 VAL 58 -5.072 0.717 -8.641 463 3HG1 VAL 58 3HG1 VAL 58 -3.652 1.655 -9.101 464 1HG2 VAL 58 1HG2 VAL 58 -5.432 2.308 -5.297 465 2HG2 VAL 58 2HG2 VAL 58 -5.925 0.886 -6.214 466 3HG2 VAL 58 3HG2 VAL 58 -6.373 2.497 -6.775 467 H GLY 59 H GLY 59 -2.330 -0.579 -8.220 468 1HA GLY 59 2HA GLY 59 -0.501 1.099 -9.553 469 2HA GLY 59 1HA GLY 59 0.355 0.201 -8.309 470 H ARG 60 H ARG 60 1.487 -1.311 -9.354 471 HA ARG 60 HA ARG 60 0.228 -3.552 -10.493 472 1HB ARG 60 2HB ARG 60 0.992 -3.299 -12.845 473 2HB ARG 60 1HB ARG 60 -0.253 -2.145 -12.391 474 1HG ARG 60 2HG ARG 60 1.492 -0.437 -12.057 475 2HG ARG 60 1HG ARG 60 2.698 -1.604 -12.599 476 1HD ARG 60 2HD ARG 60 0.333 -0.735 -14.250 477 2HD ARG 60 1HD ARG 60 1.926 0.007 -14.354 478 HE ARG 60 HE ARG 60 1.110 -2.407 -15.577 479 1HH1 ARG 60 1HH1 ARG 60 3.847 -0.929 -13.993 480 2HH1 ARG 60 2HH1 ARG 60 5.012 -1.918 -14.806 481 1HH2 ARG 60 1HH2 ARG 60 2.645 -3.701 -16.657 482 2HH2 ARG 60 2HH2 ARG 60 4.331 -3.489 -16.320 483 H ASN 61 H ASN 61 2.165 -3.127 -8.581 484 HA ASN 61 HA ASN 61 3.986 -5.064 -8.795 485 1HB ASN 61 2HB ASN 61 4.912 -4.054 -10.846 486 2HB ASN 61 1HB ASN 61 5.235 -2.563 -9.975 487 1HD2 ASN 61 1HD2 ASN 61 5.784 -5.332 -8.076 488 2HD2 ASN 61 2HD2 ASN 61 7.497 -5.400 -8.261 489 H PHE 62 H PHE 62 3.402 -4.853 -6.572 490 HA PHE 62 HA PHE 62 5.294 -3.433 -4.998 491 1HB PHE 62 2HB PHE 62 3.824 -1.801 -3.965 492 2HB PHE 62 1HB PHE 62 3.873 -1.554 -5.707 493 HD1 PHE 62 1HD PHE 62 1.845 -3.105 -3.012 494 HD2 PHE 62 2HD PHE 62 1.900 -1.491 -6.950 495 HE1 PHE 62 1HE PHE 62 -0.611 -3.235 -3.099 496 HE2 PHE 62 2HE PHE 62 -0.554 -1.613 -7.039 497 HZ PHE 62 HZ PHE 62 -1.813 -2.486 -5.113 498 H GLY 63 H GLY 63 5.411 -4.173 -2.974 499 1HA GLY 63 2HA GLY 63 3.610 -6.358 -2.237 500 2HA GLY 63 1HA GLY 63 5.112 -5.926 -1.425 501 H SER 64 H SER 64 2.042 -6.219 -0.686 502 HA SER 64 HA SER 64 2.026 -3.753 0.933 503 1HB SER 64 2HB SER 64 -0.377 -5.132 -0.272 504 2HB SER 64 1HB SER 64 -0.421 -3.705 0.762 505 HG SER 64 HG SER 64 -0.141 -2.599 -0.987 506 H TYR 65 H TYR 65 1.413 -3.850 3.015 507 HA TYR 65 HA TYR 65 0.360 -6.299 4.166 508 1HB TYR 65 2HB TYR 65 2.942 -6.394 4.167 509 2HB TYR 65 1HB TYR 65 2.857 -5.109 5.367 510 HD1 TYR 65 1HD TYR 65 0.895 -5.751 7.245 511 HD2 TYR 65 2HD TYR 65 3.352 -8.459 5.068 512 HE1 TYR 65 1HE TYR 65 0.589 -7.437 9.006 513 HE2 TYR 65 2HE TYR 65 3.053 -10.151 6.827 514 HH TYR 65 HH TYR 65 0.720 -9.838 9.302 515 H VAL 66 H VAL 66 -1.222 -5.681 5.496 516 HA VAL 66 HA VAL 66 -0.939 -3.398 7.270 517 HB VAL 66 HB VAL 66 -3.165 -3.430 5.225 518 1HG1 VAL 66 1HG1 VAL 66 -3.536 -1.108 6.017 519 2HG1 VAL 66 2HG1 VAL 66 -2.339 -1.390 7.275 520 3HG1 VAL 66 3HG1 VAL 66 -3.826 -2.334 7.248 521 1HG2 VAL 66 1HG2 VAL 66 -2.035 -1.443 4.234 522 2HG2 VAL 66 2HG2 VAL 66 -1.141 -2.949 4.030 523 3HG2 VAL 66 3HG2 VAL 66 -0.638 -1.784 5.254 524 H THR 67 H THR 67 -2.897 -3.195 8.707 525 HA THR 67 HA THR 67 -4.070 -5.832 9.205 526 HB THR 67 HB THR 67 -4.761 -4.773 11.367 527 HG1 THR 67 1HG THR 67 -3.112 -2.616 10.604 528 1HG2 THR 67 1HG2 THR 67 -2.668 -4.807 12.435 529 2HG2 THR 67 2HG2 THR 67 -1.823 -4.376 10.949 530 3HG2 THR 67 3HG2 THR 67 -2.565 -5.969 11.112 531 H HIS 68 H HIS 68 -6.439 -5.818 9.907 532 HA HIS 68 HA HIS 68 -8.094 -3.667 8.995 533 1HB HIS 68 2HB HIS 68 -9.140 -4.940 7.123 534 2HB HIS 68 1HB HIS 68 -7.459 -4.504 6.827 535 HD1 HIS 68 1HD HIS 68 -9.468 -7.502 7.996 536 HD2 HIS 68 2HD HIS 68 -5.842 -6.573 6.206 537 HE1 HIS 68 1HE HIS 68 -8.421 -9.713 7.419 538 HE2 HIS 68 2HE HIS 68 -6.277 -9.126 6.232 539 H GLU 69 H GLU 69 -10.188 -3.842 9.611 540 HA GLU 69 HA GLU 69 -10.829 -5.793 11.601 541 1HB GLU 69 2HB GLU 69 -11.594 -3.455 11.740 542 2HB GLU 69 1HB GLU 69 -12.564 -3.689 10.292 543 1HG GLU 69 2HG GLU 69 -13.897 -5.370 11.466 544 2HG GLU 69 1HG GLU 69 -12.934 -5.105 12.918 545 H THR 70 H THR 70 -12.368 -7.440 11.507 546 HA THR 70 HA THR 70 -12.568 -8.916 9.173 547 HB THR 70 HB THR 70 -14.375 -10.169 10.296 548 HG1 THR 70 1HG THR 70 -15.355 -9.410 12.023 549 1HG2 THR 70 1HG2 THR 70 -12.491 -9.637 12.513 550 2HG2 THR 70 2HG2 THR 70 -11.825 -10.232 10.993 551 3HG2 THR 70 3HG2 THR 70 -13.056 -11.168 11.840 552 H LYS 71 H LYS 71 -14.191 -9.279 7.659 553 HA LYS 71 HA LYS 71 -15.828 -8.711 6.187 554 1HB LYS 71 2HB LYS 71 -17.025 -7.476 8.670 555 2HB LYS 71 1HB LYS 71 -17.868 -7.590 7.131 556 1HG LYS 71 2HG LYS 71 -16.856 -9.911 8.761 557 2HG LYS 71 1HG LYS 71 -18.533 -9.373 8.646 558 1HD LYS 71 2HD LYS 71 -18.526 -9.845 6.247 559 2HD LYS 71 1HD LYS 71 -16.843 -10.367 6.350 560 1HE LYS 71 2HE LYS 71 -17.492 -12.168 7.866 561 2HE LYS 71 1HE LYS 71 -19.172 -11.643 7.780 562 1HZ LYS 71 1HZ LYS 71 -19.254 -13.187 6.164 563 2HZ LYS 71 2HZ LYS 71 -17.593 -13.128 5.849 564 3HZ LYS 71 3HZ LYS 71 -18.618 -11.951 5.198 565 H HIS 72 H HIS 72 -13.544 -7.083 6.388 566 HA HIS 72 HA HIS 72 -14.534 -4.725 5.038 567 1HB HIS 72 2HB HIS 72 -12.799 -4.423 7.501 568 2HB HIS 72 1HB HIS 72 -13.339 -3.123 6.444 569 HD1 HIS 72 1HD HIS 72 -16.208 -3.247 6.255 570 HD2 HIS 72 2HD HIS 72 -14.297 -4.470 9.734 571 HE1 HIS 72 1HE HIS 72 -17.959 -3.138 8.058 572 HE2 HIS 72 2HE HIS 72 -16.802 -3.969 10.136 573 H PHE 73 H PHE 73 -13.298 -6.651 3.793 574 HA PHE 73 HA PHE 73 -10.689 -5.527 3.136 575 1HB PHE 73 2HB PHE 73 -10.028 -7.210 4.684 576 2HB PHE 73 1HB PHE 73 -11.165 -8.373 4.023 577 HD1 PHE 73 1HD PHE 73 -10.732 -8.955 1.452 578 HD2 PHE 73 2HD PHE 73 -7.820 -7.431 4.156 579 HE1 PHE 73 1HE PHE 73 -8.945 -9.873 0.037 580 HE2 PHE 73 2HE PHE 73 -6.026 -8.350 2.741 581 HZ PHE 73 HZ PHE 73 -6.588 -9.571 0.679 582 H ILE 74 H ILE 74 -10.236 -5.613 0.977 583 HA ILE 74 HA ILE 74 -11.533 -7.504 -0.761 584 HB ILE 74 HB ILE 74 -13.347 -5.897 -0.510 585 1HG1 ILE 74 2HG1 ILE 74 -11.972 -5.715 -3.200 586 2HG1 ILE 74 1HG1 ILE 74 -13.064 -6.994 -2.682 587 1HG2 ILE 74 1HG2 ILE 74 -12.254 -3.902 0.110 588 2HG2 ILE 74 2HG2 ILE 74 -12.994 -3.575 -1.457 589 3HG2 ILE 74 3HG2 ILE 74 -11.264 -3.900 -1.350 590 1HD1 ILE 74 1HD1 ILE 74 -14.644 -5.811 -3.700 591 2HD1 ILE 74 2HD1 ILE 74 -13.644 -4.360 -3.760 592 3HD1 ILE 74 3HD1 ILE 74 -14.565 -4.736 -2.305 593 H TYR 75 H TYR 75 -10.514 -7.737 -2.691 594 HA TYR 75 HA TYR 75 -8.553 -5.755 -3.563 595 1HB TYR 75 2HB TYR 75 -7.431 -7.449 -2.020 596 2HB TYR 75 1HB TYR 75 -7.763 -8.654 -3.259 597 HD1 TYR 75 1HD TYR 75 -6.982 -7.858 -5.718 598 HD2 TYR 75 2HD TYR 75 -5.353 -6.488 -2.036 599 HE1 TYR 75 1HE TYR 75 -4.920 -7.199 -6.880 600 HE2 TYR 75 2HE TYR 75 -3.289 -5.829 -3.187 601 HH TYR 75 HH TYR 75 -2.762 -5.152 -5.767 602 H PHE 76 H PHE 76 -8.277 -5.746 -5.811 603 HA PHE 76 HA PHE 76 -9.041 -7.942 -7.452 604 1HB PHE 76 2HB PHE 76 -11.024 -6.937 -8.502 605 2HB PHE 76 1HB PHE 76 -11.286 -7.243 -6.789 606 HD1 PHE 76 1HD PHE 76 -10.549 -5.140 -5.262 607 HD2 PHE 76 2HD PHE 76 -11.823 -4.963 -9.317 608 HE1 PHE 76 1HE PHE 76 -11.204 -2.790 -4.949 609 HE2 PHE 76 2HE PHE 76 -12.482 -2.613 -9.012 610 HZ PHE 76 HZ PHE 76 -12.172 -1.522 -6.826 611 H TYR 77 H TYR 77 -8.294 -7.755 -9.489 612 HA TYR 77 HA TYR 77 -6.735 -5.385 -10.135 613 1HB TYR 77 2HB TYR 77 -7.003 -8.029 -11.586 614 2HB TYR 77 1HB TYR 77 -5.897 -6.735 -12.032 615 HD1 TYR 77 1HD TYR 77 -6.759 -8.791 -9.021 616 HD2 TYR 77 2HD TYR 77 -3.714 -6.938 -11.341 617 HE1 TYR 77 1HE TYR 77 -5.054 -9.744 -7.531 618 HE2 TYR 77 2HE TYR 77 -1.998 -7.887 -9.858 619 HH TYR 77 HH TYR 77 -1.773 -8.758 -7.623 620 H LEU 78 H LEU 78 -6.939 -4.284 -12.183 621 HA LEU 78 HA LEU 78 -9.287 -4.784 -13.790 622 1HB LEU 78 2HB LEU 78 -10.252 -3.464 -11.995 623 2HB LEU 78 1HB LEU 78 -9.024 -2.230 -12.209 624 HG LEU 78 HG LEU 78 -9.920 -1.636 -14.376 625 1HD1 LEU 78 1HD1 LEU 78 -11.164 -4.224 -14.181 626 2HD1 LEU 78 2HD1 LEU 78 -10.964 -3.177 -15.585 627 3HD1 LEU 78 3HD1 LEU 78 -12.364 -2.981 -14.531 628 1HD2 LEU 78 1HD2 LEU 78 -12.425 -1.261 -13.500 629 2HD2 LEU 78 2HD2 LEU 78 -11.051 -0.306 -12.941 630 3HD2 LEU 78 3HD2 LEU 78 -11.635 -1.661 -11.974 631 H GLY 79 H GLY 79 -8.933 -4.268 -15.841 632 1HA GLY 79 2HA GLY 79 -7.970 -3.401 -17.730 633 2HA GLY 79 1HA GLY 79 -7.459 -2.035 -16.744 634 H GLN 80 H GLN 80 -5.523 -2.245 -15.499 635 HA GLN 80 HA GLN 80 -3.803 -4.469 -15.894 636 1HB GLN 80 2HB GLN 80 -3.022 -1.866 -17.230 637 2HB GLN 80 1HB GLN 80 -1.994 -3.282 -17.075 638 1HG GLN 80 2HG GLN 80 -3.596 -4.554 -18.454 639 2HG GLN 80 1HG GLN 80 -4.538 -3.078 -18.668 640 1HE2 GLN 80 1HE2 GLN 80 -2.355 -5.004 -20.111 641 2HE2 GLN 80 2HE2 GLN 80 -1.582 -3.863 -21.154 642 H VAL 81 H VAL 81 -4.846 -3.209 -13.652 643 HA VAL 81 HA VAL 81 -2.413 -2.539 -12.244 644 HB VAL 81 HB VAL 81 -3.267 -0.434 -11.300 645 1HG1 VAL 81 1HG1 VAL 81 -1.770 -0.462 -13.285 646 2HG1 VAL 81 2HG1 VAL 81 -2.796 0.969 -13.192 647 3HG1 VAL 81 3HG1 VAL 81 -3.197 -0.332 -14.313 648 1HG2 VAL 81 1HG2 VAL 81 -5.618 -1.147 -12.938 649 2HG2 VAL 81 2HG2 VAL 81 -5.161 0.557 -12.930 650 3HG2 VAL 81 3HG2 VAL 81 -5.519 -0.267 -11.414 651 H ALA 82 H ALA 82 -2.480 -3.248 -10.208 652 HA ALA 82 HA ALA 82 -4.795 -4.670 -9.287 653 1HB ALA 82 1HB ALA 82 -2.561 -4.174 -7.422 654 2HB ALA 82 2HB ALA 82 -2.167 -5.032 -8.910 655 3HB ALA 82 3HB ALA 82 -3.399 -5.673 -7.823 656 H ILE 83 H ILE 83 -6.223 -4.146 -7.729 657 HA ILE 83 HA ILE 83 -5.930 -1.510 -6.440 658 HB ILE 83 HB ILE 83 -8.510 -2.805 -7.335 659 1HG1 ILE 83 2HG1 ILE 83 -7.031 -0.402 -8.430 660 2HG1 ILE 83 1HG1 ILE 83 -7.182 -1.967 -9.223 661 1HG2 ILE 83 1HG2 ILE 83 -8.931 -1.526 -5.377 662 2HG2 ILE 83 2HG2 ILE 83 -9.466 -0.557 -6.750 663 3HG2 ILE 83 3HG2 ILE 83 -7.933 -0.192 -5.957 664 1HD1 ILE 83 1HD1 ILE 83 -8.918 -1.058 -10.274 665 2HD1 ILE 83 2HD1 ILE 83 -9.043 0.266 -9.117 666 3HD1 ILE 83 3HD1 ILE 83 -9.790 -1.291 -8.759 667 H LEU 84 H LEU 84 -6.456 -1.360 -4.281 668 HA LEU 84 HA LEU 84 -7.539 -3.715 -2.934 669 1HB LEU 84 2HB LEU 84 -5.157 -4.071 -2.820 670 2HB LEU 84 1HB LEU 84 -4.897 -2.432 -2.253 671 HG LEU 84 HG LEU 84 -6.016 -2.950 -0.149 672 1HD1 LEU 84 1HD1 LEU 84 -6.885 -5.285 -1.632 673 2HD1 LEU 84 2HD1 LEU 84 -7.540 -4.571 -0.159 674 3HD1 LEU 84 3HD1 LEU 84 -6.195 -5.707 -0.065 675 1HD2 LEU 84 1HD2 LEU 84 -3.531 -3.528 -0.708 676 2HD2 LEU 84 2HD2 LEU 84 -4.088 -5.193 -0.537 677 3HD2 LEU 84 3HD2 LEU 84 -4.249 -4.067 0.811 678 H LEU 85 H LEU 85 -8.740 -3.265 -1.152 679 HA LEU 85 HA LEU 85 -8.612 -0.654 0.098 680 1HB LEU 85 2HB LEU 85 -10.113 -0.283 -1.808 681 2HB LEU 85 1HB LEU 85 -11.126 -1.610 -1.271 682 HG LEU 85 HG LEU 85 -11.631 -0.354 0.803 683 1HD1 LEU 85 1HD1 LEU 85 -9.701 1.016 1.039 684 2HD1 LEU 85 2HD1 LEU 85 -11.082 2.087 0.800 685 3HD1 LEU 85 3HD1 LEU 85 -9.969 1.770 -0.532 686 1HD2 LEU 85 1HD2 LEU 85 -13.367 -0.019 -0.610 687 2HD2 LEU 85 2HD2 LEU 85 -12.337 0.569 -1.914 688 3HD2 LEU 85 3HD2 LEU 85 -12.763 1.637 -0.577 689 H PHE 86 H PHE 86 -9.367 -0.642 2.168 690 HA PHE 86 HA PHE 86 -11.138 -2.506 3.302 691 1HB PHE 86 2HB PHE 86 -9.513 -3.814 4.659 692 2HB PHE 86 1HB PHE 86 -9.388 -4.142 2.934 693 HD1 PHE 86 1HD PHE 86 -7.530 -3.061 1.626 694 HD2 PHE 86 2HD PHE 86 -7.693 -3.006 5.874 695 HE1 PHE 86 1HE PHE 86 -5.135 -2.507 1.706 696 HE2 PHE 86 2HE PHE 86 -5.301 -2.463 5.964 697 HZ PHE 86 HZ PHE 86 -4.014 -2.209 3.880 698 H LYS 87 H LYS 87 -11.850 -1.683 5.205 699 HA LYS 87 HA LYS 87 -10.336 0.555 6.311 700 1HB LYS 87 2HB LYS 87 -12.362 1.213 7.461 701 2HB LYS 87 1HB LYS 87 -12.692 0.968 5.756 702 1HG LYS 87 2HG LYS 87 -13.766 -1.118 6.186 703 2HG LYS 87 1HG LYS 87 -13.265 -1.079 7.880 704 1HD LYS 87 2HD LYS 87 -14.635 0.905 8.252 705 2HD LYS 87 1HD LYS 87 -15.111 0.907 6.555 706 1HE LYS 87 2HE LYS 87 -16.207 -1.237 6.834 707 2HE LYS 87 1HE LYS 87 -15.678 -1.310 8.516 708 1HZ LYS 87 1HZ LYS 87 -17.259 0.137 9.164 709 2HZ LYS 87 2HZ LYS 87 -18.053 -0.392 7.766 710 3HZ LYS 87 3HZ LYS 87 -17.180 1.057 7.746 711 H SER 88 H SER 88 -10.571 0.844 8.744 712 HA SER 88 HA SER 88 -10.480 -1.667 10.222 713 1HB SER 88 2HB SER 88 -8.181 0.305 10.210 714 2HB SER 88 1HB SER 88 -8.301 -1.127 11.229 715 HG SER 88 HG SER 88 -8.057 -1.011 8.410 716 H GLY 89 H GLY 89 -11.222 -1.470 12.256 717 1HA GLY 89 2HA GLY 89 -12.624 0.823 13.051 718 2HA GLY 89 1HA GLY 89 -12.203 -0.522 14.101 719 1H MET 1 1HT MET 1 19.078 9.512 4.987 720 2H MET 1 2HT MET 1 19.188 7.956 4.271 721 3H MET 1 3HT MET 1 18.794 9.320 3.307 722 HA MET 1 HA MET 1 21.125 8.419 3.207 723 1HB MET 1 2HB MET 1 20.274 10.588 2.311 724 2HB MET 1 1HB MET 1 20.651 11.337 3.855 725 1HG MET 1 2HG MET 1 23.013 10.843 3.535 726 2HG MET 1 1HG MET 1 22.645 10.050 2.004 727 1HE MET 1 1HE MET 1 21.011 13.977 2.849 728 2HE MET 1 2HE MET 1 22.695 14.330 3.233 729 3HE MET 1 3HE MET 1 21.861 13.007 4.049 730 H CYS 2 H CYS 2 20.675 7.471 5.709 731 HA CYS 2 HA CYS 2 23.101 7.951 7.028 732 1HB CYS 2 2HB CYS 2 22.088 10.095 7.643 733 2HB CYS 2 1HB CYS 2 20.702 9.256 8.331 734 HG CYS 2 HG CYS 2 22.769 8.205 9.953 735 H ASP 3 H ASP 3 23.544 6.270 8.322 736 HA ASP 3 HA ASP 3 23.322 4.311 9.450 737 1HB ASP 3 2HB ASP 3 20.559 5.382 10.062 738 2HB ASP 3 1HB ASP 3 21.322 4.017 10.871 739 H ARG 4 H ARG 4 23.107 2.343 8.631 740 HA ARG 4 HA ARG 4 22.485 0.656 7.228 741 1HB ARG 4 2HB ARG 4 19.729 1.652 7.963 742 2HB ARG 4 1HB ARG 4 20.099 0.072 7.288 743 1HG ARG 4 2HG ARG 4 21.027 1.114 9.957 744 2HG ARG 4 1HG ARG 4 19.728 -0.050 9.686 745 1HD ARG 4 2HD ARG 4 21.333 -1.603 8.684 746 2HD ARG 4 1HD ARG 4 22.630 -0.441 8.958 747 HE ARG 4 HE ARG 4 21.372 -0.950 11.403 748 1HH1 ARG 4 1HH1 ARG 4 23.345 -2.604 9.048 749 2HH1 ARG 4 2HH1 ARG 4 24.057 -3.673 10.209 750 1HH2 ARG 4 1HH2 ARG 4 22.308 -2.354 12.933 751 2HH2 ARG 4 2HH2 ARG 4 23.467 -3.532 12.415 752 H LYS 5 H LYS 5 22.966 3.234 5.978 753 HA LYS 5 HA LYS 5 22.671 4.352 4.015 754 1HB LYS 5 2HB LYS 5 21.887 1.585 3.066 755 2HB LYS 5 1HB LYS 5 22.357 2.922 2.031 756 1HG LYS 5 2HG LYS 5 24.222 1.482 2.217 757 2HG LYS 5 1HG LYS 5 24.577 2.925 3.168 758 1HD LYS 5 2HD LYS 5 25.256 0.904 4.347 759 2HD LYS 5 1HD LYS 5 23.961 1.731 5.206 760 1HE LYS 5 2HE LYS 5 23.609 -0.689 5.163 761 2HE LYS 5 1HE LYS 5 22.333 0.168 4.300 762 1HZ LYS 5 1HZ LYS 5 22.973 -0.687 2.323 763 2HZ LYS 5 2HZ LYS 5 23.584 -1.928 3.296 764 3HZ LYS 5 3HZ LYS 5 24.617 -0.718 2.722 765 H ALA 6 H ALA 6 20.564 3.087 2.037 766 HA ALA 6 HA ALA 6 18.428 3.551 1.407 767 1HB ALA 6 1HB ALA 6 17.960 2.106 3.372 768 2HB ALA 6 2HB ALA 6 16.693 3.288 3.047 769 3HB ALA 6 3HB ALA 6 17.836 3.559 4.363 770 H VAL 7 H VAL 7 17.524 5.408 0.683 771 HA VAL 7 HA VAL 7 18.194 7.862 2.106 772 HB VAL 7 HB VAL 7 17.391 9.002 0.092 773 1HG1 VAL 7 1HG1 VAL 7 19.213 7.897 -1.458 774 2HG1 VAL 7 2HG1 VAL 7 19.605 7.022 0.023 775 3HG1 VAL 7 3HG1 VAL 7 19.668 8.785 -0.003 776 1HG2 VAL 7 1HG2 VAL 7 17.406 6.612 -1.586 777 2HG2 VAL 7 2HG2 VAL 7 16.321 8.004 -1.605 778 3HG2 VAL 7 3HG2 VAL 7 16.052 6.691 -0.459 779 H ILE 8 H ILE 8 16.739 9.180 3.011 780 HA ILE 8 HA ILE 8 14.039 8.155 3.339 781 HB ILE 8 HB ILE 8 15.503 10.422 4.688 782 1HG1 ILE 8 2HG1 ILE 8 15.248 8.991 6.691 783 2HG1 ILE 8 1HG1 ILE 8 14.465 7.763 5.701 784 1HG2 ILE 8 1HG2 ILE 8 13.293 11.197 4.644 785 2HG2 ILE 8 2HG2 ILE 8 13.456 10.419 6.217 786 3HG2 ILE 8 3HG2 ILE 8 12.628 9.586 4.902 787 1HD1 ILE 8 1HD1 ILE 8 16.899 7.406 6.257 788 2HD1 ILE 8 2HD1 ILE 8 17.247 8.737 5.152 789 3HD1 ILE 8 3HD1 ILE 8 16.456 7.277 4.556 790 H LYS 9 H LYS 9 12.277 8.938 2.410 791 HA LYS 9 HA LYS 9 12.548 11.091 0.487 792 1HB LYS 9 2HB LYS 9 10.200 9.306 1.147 793 2HB LYS 9 1HB LYS 9 10.240 10.475 -0.165 794 1HG LYS 9 2HG LYS 9 12.024 8.064 0.111 795 2HG LYS 9 1HG LYS 9 10.644 8.221 -0.978 796 1HD LYS 9 2HD LYS 9 13.147 9.909 -1.037 797 2HD LYS 9 1HD LYS 9 12.757 8.599 -2.153 798 1HE LYS 9 2HE LYS 9 10.776 9.832 -2.899 799 2HE LYS 9 1HE LYS 9 11.176 11.143 -1.790 800 1HZ LYS 9 1HZ LYS 9 13.323 11.346 -3.013 801 2HZ LYS 9 2HZ LYS 9 11.958 11.750 -3.926 802 3HZ LYS 9 3HZ LYS 9 12.721 10.259 -4.161 803 H ASN 10 H ASN 10 10.858 10.436 3.517 804 HA ASN 10 HA ASN 10 10.689 13.182 4.181 805 1HB ASN 10 2HB ASN 10 8.927 13.181 2.472 806 2HB ASN 10 1HB ASN 10 8.092 11.886 3.327 807 1HD2 ASN 10 1HD2 ASN 10 6.428 12.566 4.439 808 2HD2 ASN 10 2HD2 ASN 10 6.279 14.091 5.238 809 H ALA 11 H ALA 11 11.742 11.859 5.910 810 HA ALA 11 HA ALA 11 10.425 10.018 7.520 811 1HB ALA 11 1HB ALA 11 12.734 11.828 7.854 812 2HB ALA 11 2HB ALA 11 12.609 10.087 8.105 813 3HB ALA 11 3HB ALA 11 12.005 11.202 9.333 814 H ASP 12 H ASP 12 9.273 10.187 9.471 815 HA ASP 12 HA ASP 12 8.528 12.706 10.581 816 1HB ASP 12 2HB ASP 12 7.102 12.770 8.601 817 2HB ASP 12 1HB ASP 12 6.436 11.196 9.013 818 H MET 13 H MET 13 9.638 11.026 12.082 819 HA MET 13 HA MET 13 7.800 10.315 14.062 820 1HB MET 13 2HB MET 13 7.920 7.855 13.957 821 2HB MET 13 1HB MET 13 7.115 8.537 12.554 822 1HG MET 13 2HG MET 13 9.249 8.317 11.299 823 2HG MET 13 1HG MET 13 9.922 7.474 12.695 824 1HE MET 13 1HE MET 13 8.520 5.758 13.884 825 2HE MET 13 2HE MET 13 8.155 4.270 13.009 826 3HE MET 13 3HE MET 13 6.881 5.450 13.312 827 H SER 14 H SER 14 9.051 8.308 15.418 828 HA SER 14 HA SER 14 11.281 9.618 16.528 829 1HB SER 14 2HB SER 14 10.375 6.752 16.848 830 2HB SER 14 1HB SER 14 11.564 7.556 17.870 831 HG SER 14 HG SER 14 9.120 7.487 18.413 832 H GLU 15 H GLU 15 13.452 9.289 16.378 833 HA GLU 15 HA GLU 15 14.549 8.446 13.948 834 1HB GLU 15 2HB GLU 15 16.726 8.662 15.064 835 2HB GLU 15 1HB GLU 15 15.679 10.032 15.406 836 1HG GLU 15 2HG GLU 15 15.132 9.067 17.585 837 2HG GLU 15 1HG GLU 15 16.190 7.701 17.240 838 H GLU 16 H GLU 16 14.336 6.781 17.054 839 HA GLU 16 HA GLU 16 15.837 4.523 16.320 840 1HB GLU 16 2HB GLU 16 14.761 3.412 18.236 841 2HB GLU 16 1HB GLU 16 15.330 5.023 18.652 842 1HG GLU 16 2HG GLU 16 13.057 5.886 18.419 843 2HG GLU 16 1HG GLU 16 12.489 4.270 18.005 844 H MET 17 H MET 17 12.414 5.277 15.967 845 HA MET 17 HA MET 17 11.612 2.698 15.135 846 1HB MET 17 2HB MET 17 10.367 5.389 14.553 847 2HB MET 17 1HB MET 17 9.594 3.836 14.266 848 1HG MET 17 2HG MET 17 9.604 3.350 16.631 849 2HG MET 17 1HG MET 17 10.481 4.844 16.959 850 1HE MET 17 1HE MET 17 7.595 6.109 18.597 851 2HE MET 17 2HE MET 17 8.784 4.813 18.718 852 3HE MET 17 3HE MET 17 7.093 4.431 18.399 853 H GLN 18 H GLN 18 12.437 5.620 13.295 854 HA GLN 18 HA GLN 18 12.134 4.413 10.756 855 1HB GLN 18 2HB GLN 18 13.432 6.370 9.924 856 2HB GLN 18 1HB GLN 18 12.049 6.802 10.919 857 1HG GLN 18 2HG GLN 18 13.589 7.086 12.840 858 2HG GLN 18 1HG GLN 18 14.940 6.791 11.747 859 1HE2 GLN 18 1HE2 GLN 18 12.950 9.100 13.094 860 2HE2 GLN 18 2HE2 GLN 18 13.337 10.422 12.055 861 H GLN 19 H GLN 19 14.894 4.836 12.906 862 HA GLN 19 HA GLN 19 16.801 3.770 11.073 863 1HB GLN 19 2HB GLN 19 16.812 4.343 14.022 864 2HB GLN 19 1HB GLN 19 18.155 3.490 13.269 865 1HG GLN 19 2HG GLN 19 18.480 5.387 11.748 866 2HG GLN 19 1HG GLN 19 17.159 6.236 12.545 867 1HE2 GLN 19 1HE2 GLN 19 17.908 7.771 13.802 868 2HE2 GLN 19 2HE2 GLN 19 19.300 7.672 14.822 869 H ASP 20 H ASP 20 14.789 2.425 13.622 870 HA ASP 20 HA ASP 20 15.984 -0.167 13.581 871 1HB ASP 20 2HB ASP 20 14.690 0.672 15.521 872 2HB ASP 20 1HB ASP 20 13.228 0.649 14.539 873 H SER 21 H SER 21 13.381 1.395 11.840 874 HA SER 21 HA SER 21 12.306 -0.967 10.683 875 1HB SER 21 2HB SER 21 11.202 0.581 9.090 876 2HB SER 21 1HB SER 21 11.002 1.106 10.762 877 HG SER 21 HG SER 21 12.824 2.126 8.841 878 H VAL 22 H VAL 22 14.625 1.468 9.580 879 HA VAL 22 HA VAL 22 15.141 0.376 7.049 880 HB VAL 22 HB VAL 22 17.035 1.931 8.820 881 1HG1 VAL 22 1HG1 VAL 22 17.048 1.738 5.816 882 2HG1 VAL 22 2HG1 VAL 22 18.047 0.726 6.860 883 3HG1 VAL 22 3HG1 VAL 22 18.260 2.478 6.864 884 1HG2 VAL 22 1HG2 VAL 22 15.579 3.247 6.610 885 2HG2 VAL 22 2HG2 VAL 22 16.045 3.867 8.195 886 3HG2 VAL 22 3HG2 VAL 22 14.634 2.820 8.037 887 H GLU 23 H GLU 23 16.753 -0.098 10.163 888 HA GLU 23 HA GLU 23 18.690 -1.929 9.233 889 1HB GLU 23 2HB GLU 23 18.940 -0.715 11.348 890 2HB GLU 23 1HB GLU 23 17.540 -1.554 12.004 891 1HG GLU 23 2HG GLU 23 18.725 -3.674 11.834 892 2HG GLU 23 1HG GLU 23 20.127 -2.837 11.172 893 H CYS 24 H CYS 24 15.550 -2.328 10.799 894 HA CYS 24 HA CYS 24 15.567 -5.144 10.880 895 1HB CYS 24 2HB CYS 24 14.018 -3.785 12.217 896 2HB CYS 24 1HB CYS 24 13.202 -3.261 10.748 897 HG CYS 24 HG CYS 24 12.767 -5.903 12.182 898 H ALA 25 H ALA 25 14.683 -2.857 8.377 899 HA ALA 25 HA ALA 25 13.322 -4.678 6.688 900 1HB ALA 25 1HB ALA 25 13.270 -2.134 6.583 901 2HB ALA 25 2HB ALA 25 13.392 -2.986 5.045 902 3HB ALA 25 3HB ALA 25 14.824 -2.241 5.756 903 H THR 26 H THR 26 16.659 -3.669 7.075 904 HA THR 26 HA THR 26 17.712 -4.912 4.806 905 HB THR 26 HB THR 26 19.042 -4.350 7.458 906 HG1 THR 26 1HG THR 26 19.748 -2.468 6.399 907 1HG2 THR 26 1HG2 THR 26 20.155 -5.207 4.830 908 2HG2 THR 26 2HG2 THR 26 20.595 -5.718 6.460 909 3HG2 THR 26 3HG2 THR 26 21.082 -4.128 5.873 910 H GLN 27 H GLN 27 17.352 -6.043 8.132 911 HA GLN 27 HA GLN 27 18.567 -8.542 7.857 912 1HB GLN 27 2HB GLN 27 16.234 -7.780 9.627 913 2HB GLN 27 1HB GLN 27 17.236 -9.211 9.823 914 1HG GLN 27 2HG GLN 27 18.173 -6.359 10.043 915 2HG GLN 27 1HG GLN 27 17.859 -7.456 11.387 916 1HE2 GLN 27 1HE2 GLN 27 19.613 -8.306 12.220 917 2HE2 GLN 27 2HE2 GLN 27 21.076 -8.675 11.376 918 H ALA 28 H ALA 28 15.204 -7.558 7.340 919 HA ALA 28 HA ALA 28 14.088 -10.054 6.794 920 1HB ALA 28 1HB ALA 28 12.692 -8.132 7.106 921 2HB ALA 28 2HB ALA 28 12.393 -8.781 5.493 922 3HB ALA 28 3HB ALA 28 13.386 -7.338 5.693 923 H LEU 29 H LEU 29 15.661 -7.742 4.605 924 HA LEU 29 HA LEU 29 15.224 -9.095 2.214 925 1HB LEU 29 2HB LEU 29 17.413 -7.245 3.102 926 2HB LEU 29 1HB LEU 29 17.362 -7.908 1.477 927 HG LEU 29 HG LEU 29 15.084 -6.354 2.670 928 1HD1 LEU 29 1HD1 LEU 29 16.572 -4.637 2.611 929 2HD1 LEU 29 2HD1 LEU 29 16.115 -4.634 0.907 930 3HD1 LEU 29 3HD1 LEU 29 17.604 -5.431 1.418 931 1HD2 LEU 29 1HD2 LEU 29 14.226 -7.503 0.872 932 2HD2 LEU 29 2HD2 LEU 29 15.749 -7.460 -0.016 933 3HD2 LEU 29 3HD2 LEU 29 14.760 -6.006 0.107 934 H GLU 30 H GLU 30 17.860 -9.380 4.543 935 HA GLU 30 HA GLU 30 19.383 -11.251 3.063 936 1HB GLU 30 2HB GLU 30 19.326 -10.741 6.042 937 2HB GLU 30 1HB GLU 30 20.563 -11.658 5.191 938 1HG GLU 30 2HG GLU 30 21.186 -9.661 3.935 939 2HG GLU 30 1HG GLU 30 19.944 -8.741 4.783 940 H LYS 31 H LYS 31 16.699 -11.571 5.275 941 HA LYS 31 HA LYS 31 17.008 -14.406 5.606 942 1HB LYS 31 2HB LYS 31 14.746 -12.546 6.341 943 2HB LYS 31 1HB LYS 31 14.812 -14.250 6.769 944 1HG LYS 31 2HG LYS 31 16.816 -13.858 8.089 945 2HG LYS 31 1HG LYS 31 16.794 -12.154 7.633 946 1HD LYS 31 2HD LYS 31 14.615 -11.896 8.728 947 2HD LYS 31 1HD LYS 31 14.648 -13.600 9.189 948 1HE LYS 31 2HE LYS 31 16.670 -13.201 10.509 949 2HE LYS 31 1HE LYS 31 16.638 -11.500 10.046 950 1HZ LYS 31 1HZ LYS 31 15.675 -11.690 12.191 951 2HZ LYS 31 2HZ LYS 31 14.649 -12.943 11.705 952 3HZ LYS 31 3HZ LYS 31 14.408 -11.378 11.113 953 H TYR 32 H TYR 32 14.957 -12.264 3.690 954 HA TYR 32 HA TYR 32 14.094 -14.631 2.179 955 1HB TYR 32 2HB TYR 32 12.412 -12.217 2.860 956 2HB TYR 32 1HB TYR 32 11.908 -13.543 1.817 957 HD1 TYR 32 1HD TYR 32 12.281 -15.956 3.015 958 HD2 TYR 32 2HD TYR 32 11.597 -12.258 5.001 959 HE1 TYR 32 1HE TYR 32 11.426 -17.173 4.974 960 HE2 TYR 32 2HE TYR 32 10.743 -13.460 6.963 961 HH TYR 32 HH TYR 32 9.745 -15.650 7.493 962 H ASN 33 H ASN 33 14.622 -11.133 2.070 963 HA ASN 33 HA ASN 33 15.386 -9.779 0.400 964 1HB ASN 33 2HB ASN 33 16.967 -11.696 -0.066 965 2HB ASN 33 1HB ASN 33 15.807 -12.279 -1.254 966 1HD2 ASN 33 1HD2 ASN 33 18.566 -10.598 -0.904 967 2HD2 ASN 33 2HD2 ASN 33 18.502 -9.607 -2.318 968 H ILE 34 H ILE 34 12.747 -9.933 0.694 969 HA ILE 34 HA ILE 34 11.776 -9.571 -2.029 970 HB ILE 34 HB ILE 34 10.308 -11.327 -0.054 971 1HG1 ILE 34 2HG1 ILE 34 11.738 -12.043 -2.622 972 2HG1 ILE 34 1HG1 ILE 34 12.267 -12.464 -0.997 973 1HG2 ILE 34 1HG2 ILE 34 9.600 -11.001 -2.941 974 2HG2 ILE 34 2HG2 ILE 34 9.037 -9.828 -1.751 975 3HG2 ILE 34 3HG2 ILE 34 8.590 -11.527 -1.594 976 1HD1 ILE 34 1HD1 ILE 34 9.657 -13.423 -1.195 977 2HD1 ILE 34 2HD1 ILE 34 11.152 -14.359 -1.213 978 3HD1 ILE 34 3HD1 ILE 34 10.430 -13.821 -2.731 979 H GLU 35 H GLU 35 10.508 -7.831 -2.179 980 HA GLU 35 HA GLU 35 10.240 -5.929 -0.248 981 1HB GLU 35 2HB GLU 35 8.373 -5.007 -1.609 982 2HB GLU 35 1HB GLU 35 9.795 -5.430 -2.553 983 1HG GLU 35 2HG GLU 35 8.701 -7.549 -3.188 984 2HG GLU 35 1HG GLU 35 7.259 -7.032 -2.316 985 H LYS 36 H LYS 36 7.839 -8.433 -1.023 986 HA LYS 36 HA LYS 36 5.846 -7.634 0.757 987 1HB LYS 36 2HB LYS 36 5.493 -9.326 -0.972 988 2HB LYS 36 1HB LYS 36 6.584 -10.424 -0.139 989 1HG LYS 36 2HG LYS 36 5.014 -10.358 1.813 990 2HG LYS 36 1HG LYS 36 3.888 -9.466 0.785 991 1HD LYS 36 2HD LYS 36 3.314 -11.809 0.755 992 2HD LYS 36 1HD LYS 36 3.935 -11.336 -0.828 993 1HE LYS 36 2HE LYS 36 6.107 -12.286 -0.277 994 2HE LYS 36 1HE LYS 36 5.525 -12.720 1.331 995 1HZ LYS 36 1HZ LYS 36 4.892 -13.933 -1.264 996 2HZ LYS 36 2HZ LYS 36 3.724 -13.984 -0.041 997 3HZ LYS 36 3HZ LYS 36 5.247 -14.676 0.214 998 H ASP 37 H ASP 37 8.297 -10.171 1.250 999 HA ASP 37 HA ASP 37 7.719 -10.804 3.873 1000 1HB ASP 37 2HB ASP 37 10.425 -10.795 2.526 1001 2HB ASP 37 1HB ASP 37 10.037 -11.640 4.022 1002 H ILE 38 H ILE 38 9.892 -8.257 2.679 1003 HA ILE 38 HA ILE 38 11.079 -7.442 5.015 1004 HB ILE 38 HB ILE 38 10.074 -5.691 2.769 1005 1HG1 ILE 38 2HG1 ILE 38 12.812 -6.849 3.341 1006 2HG1 ILE 38 1HG1 ILE 38 11.699 -7.423 2.104 1007 1HG2 ILE 38 1HG2 ILE 38 11.936 -5.068 5.051 1008 2HG2 ILE 38 2HG2 ILE 38 10.420 -4.267 4.644 1009 3HG2 ILE 38 3HG2 ILE 38 11.820 -4.089 3.589 1010 1HD1 ILE 38 1HD1 ILE 38 12.740 -6.054 0.711 1011 2HD1 ILE 38 2HD1 ILE 38 13.581 -5.237 2.030 1012 3HD1 ILE 38 3HD1 ILE 38 11.958 -4.727 1.567 1013 H ALA 39 H ALA 39 7.840 -6.657 3.856 1014 HA ALA 39 HA ALA 39 7.187 -4.801 5.873 1015 1HB ALA 39 1HB ALA 39 4.820 -5.323 5.225 1016 2HB ALA 39 2HB ALA 39 5.464 -6.540 4.123 1017 3HB ALA 39 3HB ALA 39 5.869 -4.839 3.893 1018 H ALA 40 H ALA 40 7.023 -8.301 5.715 1019 HA ALA 40 HA ALA 40 5.376 -8.721 7.962 1020 1HB ALA 40 1HB ALA 40 7.512 -10.667 7.205 1021 2HB ALA 40 2HB ALA 40 6.168 -10.362 6.105 1022 3HB ALA 40 3HB ALA 40 5.856 -10.965 7.733 1023 H HIS 41 H HIS 41 8.924 -8.736 7.644 1024 HA HIS 41 HA HIS 41 9.474 -9.260 10.356 1025 1HB HIS 41 2HB HIS 41 11.069 -8.029 8.129 1026 2HB HIS 41 1HB HIS 41 11.729 -8.161 9.755 1027 HD1 HIS 41 1HD HIS 41 11.588 -10.773 10.711 1028 HD2 HIS 41 2HD HIS 41 11.604 -10.182 6.601 1029 HE1 HIS 41 1HE HIS 41 12.333 -12.960 9.724 1030 HE2 HIS 41 2HE HIS 41 12.550 -12.499 7.258 1031 H ILE 42 H ILE 42 9.597 -6.174 8.585 1032 HA ILE 42 HA ILE 42 10.243 -4.549 10.745 1033 HB ILE 42 HB ILE 42 8.639 -3.806 8.297 1034 1HG1 ILE 42 2HG1 ILE 42 11.615 -3.704 8.827 1035 2HG1 ILE 42 1HG1 ILE 42 10.796 -4.825 7.744 1036 1HG2 ILE 42 1HG2 ILE 42 8.838 -2.246 10.444 1037 2HG2 ILE 42 2HG2 ILE 42 8.887 -1.601 8.804 1038 3HG2 ILE 42 3HG2 ILE 42 10.386 -1.859 9.694 1039 1HD1 ILE 42 1HD1 ILE 42 9.948 -2.553 6.671 1040 2HD1 ILE 42 2HD1 ILE 42 11.484 -3.297 6.227 1041 3HD1 ILE 42 3HD1 ILE 42 11.450 -1.966 7.383 1042 H LYS 43 H LYS 43 7.004 -5.239 9.411 1043 HA LYS 43 HA LYS 43 5.594 -3.624 11.212 1044 1HB LYS 43 2HB LYS 43 4.771 -4.705 9.050 1045 2HB LYS 43 1HB LYS 43 4.502 -6.154 10.002 1046 1HG LYS 43 2HG LYS 43 3.284 -3.500 10.703 1047 2HG LYS 43 1HG LYS 43 2.506 -4.651 9.620 1048 1HD LYS 43 2HD LYS 43 3.377 -5.459 12.378 1049 2HD LYS 43 1HD LYS 43 1.840 -4.645 12.110 1050 1HE LYS 43 2HE LYS 43 1.475 -7.018 12.147 1051 2HE LYS 43 1HE LYS 43 1.219 -6.419 10.511 1052 1HZ LYS 43 1HZ LYS 43 3.101 -7.445 9.743 1053 2HZ LYS 43 2HZ LYS 43 2.607 -8.555 10.919 1054 3HZ LYS 43 3HZ LYS 43 3.858 -7.470 11.257 1055 H LYS 44 H LYS 44 6.061 -7.166 11.326 1056 HA LYS 44 HA LYS 44 4.771 -7.575 13.757 1057 1HB LYS 44 2HB LYS 44 7.047 -9.130 12.523 1058 2HB LYS 44 1HB LYS 44 6.083 -9.689 13.884 1059 1HG LYS 44 2HG LYS 44 4.085 -9.667 12.493 1060 2HG LYS 44 1HG LYS 44 5.034 -9.080 11.127 1061 1HD LYS 44 2HD LYS 44 6.382 -11.122 11.187 1062 2HD LYS 44 1HD LYS 44 5.438 -11.708 12.557 1063 1HE LYS 44 2HE LYS 44 4.375 -11.115 9.797 1064 2HE LYS 44 1HE LYS 44 4.691 -12.717 10.460 1065 1HZ LYS 44 1HZ LYS 44 2.379 -12.262 10.666 1066 2HZ LYS 44 2HZ LYS 44 2.664 -10.762 11.395 1067 3HZ LYS 44 3HZ LYS 44 3.045 -12.189 12.221 1068 H GLU 45 H GLU 45 8.220 -6.943 13.159 1069 HA GLU 45 HA GLU 45 9.124 -7.258 15.768 1070 1HB GLU 45 2HB GLU 45 10.639 -7.000 13.871 1071 2HB GLU 45 1HB GLU 45 10.118 -5.334 13.659 1072 1HG GLU 45 2HG GLU 45 11.055 -4.745 15.819 1073 2HG GLU 45 1HG GLU 45 11.536 -6.419 16.081 1074 H PHE 46 H PHE 46 7.890 -4.318 14.183 1075 HA PHE 46 HA PHE 46 8.206 -2.700 16.497 1076 1HB PHE 46 2HB PHE 46 6.680 -2.323 13.937 1077 2HB PHE 46 1HB PHE 46 6.652 -1.132 15.232 1078 HD1 PHE 46 1HD PHE 46 9.184 -0.719 16.183 1079 HD2 PHE 46 2HD PHE 46 8.097 -1.794 12.215 1080 HE1 PHE 46 1HE PHE 46 11.275 0.269 15.350 1081 HE2 PHE 46 2HE PHE 46 10.189 -0.812 11.372 1082 HZ PHE 46 HZ PHE 46 11.782 0.218 12.942 1083 H ASP 47 H ASP 47 5.396 -4.346 15.081 1084 HA ASP 47 HA ASP 47 3.475 -3.367 16.857 1085 1HB ASP 47 2HB ASP 47 3.640 -5.961 15.328 1086 2HB ASP 47 1HB ASP 47 2.248 -5.544 16.323 1087 H LYS 48 H LYS 48 5.839 -5.897 17.213 1088 HA LYS 48 HA LYS 48 4.723 -7.009 19.607 1089 1HB LYS 48 2HB LYS 48 6.416 -7.984 17.804 1090 2HB LYS 48 1HB LYS 48 7.604 -7.329 18.921 1091 1HG LYS 48 2HG LYS 48 5.491 -9.382 19.525 1092 2HG LYS 48 1HG LYS 48 7.233 -9.639 19.423 1093 1HD LYS 48 2HD LYS 48 7.590 -8.245 21.368 1094 2HD LYS 48 1HD LYS 48 5.872 -7.847 21.428 1095 1HE LYS 48 2HE LYS 48 5.327 -10.171 21.852 1096 2HE LYS 48 1HE LYS 48 7.032 -10.608 21.751 1097 1HZ LYS 48 1HZ LYS 48 7.342 -10.015 23.857 1098 2HZ LYS 48 2HZ LYS 48 5.662 -9.882 24.011 1099 3HZ LYS 48 3HZ LYS 48 6.588 -8.516 23.639 1100 H LYS 49 H LYS 49 7.324 -4.744 18.851 1101 HA LYS 49 HA LYS 49 8.025 -4.402 21.631 1102 1HB LYS 49 2HB LYS 49 9.018 -2.947 19.186 1103 2HB LYS 49 1HB LYS 49 9.721 -2.852 20.795 1104 1HG LYS 49 2HG LYS 49 10.255 -5.242 20.689 1105 2HG LYS 49 1HG LYS 49 9.576 -5.309 19.061 1106 1HD LYS 49 2HD LYS 49 11.242 -3.687 18.300 1107 2HD LYS 49 1HD LYS 49 11.918 -3.614 19.928 1108 1HE LYS 49 2HE LYS 49 11.804 -6.059 18.165 1109 2HE LYS 49 1HE LYS 49 13.234 -5.075 18.472 1110 1HZ LYS 49 1HZ LYS 49 13.621 -6.463 20.148 1111 2HZ LYS 49 2HZ LYS 49 12.074 -7.143 20.073 1112 3HZ LYS 49 3HZ LYS 49 12.332 -5.726 20.960 1113 H TYR 50 H TYR 50 6.944 -2.167 19.093 1114 HA TYR 50 HA TYR 50 6.336 -0.150 21.062 1115 1HB TYR 50 2HB TYR 50 5.990 -0.137 18.063 1116 2HB TYR 50 1HB TYR 50 5.750 1.255 19.116 1117 HD1 TYR 50 1HD TYR 50 8.364 -1.330 18.425 1118 HD2 TYR 50 2HD TYR 50 7.509 2.739 19.313 1119 HE1 TYR 50 1HE TYR 50 10.755 -0.809 18.281 1120 HE2 TYR 50 2HE TYR 50 9.905 3.277 19.161 1121 HH TYR 50 HH TYR 50 11.967 2.162 17.890 1122 H ASN 51 H ASN 51 4.576 -2.599 19.406 1123 HA ASN 51 HA ASN 51 2.443 -3.329 19.969 1124 1HB ASN 51 2HB ASN 51 1.825 -0.518 20.898 1125 2HB ASN 51 1HB ASN 51 0.814 -1.942 21.101 1126 1HD2 ASN 51 1HD2 ASN 51 2.836 0.053 22.670 1127 2HD2 ASN 51 2HD2 ASN 51 3.409 -1.004 23.910 1128 HA PRO 52 HA PRO 52 0.853 -2.465 15.988 1129 1HB PRO 52 2HB PRO 52 -1.821 -3.091 17.135 1130 2HB PRO 52 1HB PRO 52 -1.001 -3.800 15.740 1131 1HG PRO 52 2HG PRO 52 -1.179 -5.132 18.039 1132 2HG PRO 52 1HG PRO 52 0.286 -5.214 17.045 1133 1HD PRO 52 2HD PRO 52 -0.219 -3.684 19.560 1134 2HD PRO 52 1HD PRO 52 1.254 -4.514 19.018 1135 H THR 53 H THR 53 -1.376 0.314 15.567 1136 HA THR 53 HA THR 53 -0.366 -2.290 14.649 1137 HB THR 53 HB THR 53 -2.834 -2.098 14.647 1138 HG1 THR 53 1HG THR 53 -1.651 -2.196 12.071 1139 1HG2 THR 53 1HG2 THR 53 -2.467 -0.020 12.509 1140 2HG2 THR 53 2HG2 THR 53 -2.994 0.316 14.158 1141 3HG2 THR 53 3HG2 THR 53 -3.988 -0.688 13.103 1142 H TRP 54 H TRP 54 1.275 -2.181 13.328 1143 HA TRP 54 HA TRP 54 1.872 0.310 11.946 1144 1HB TRP 54 2HB TRP 54 3.521 -2.198 12.253 1145 2HB TRP 54 1HB TRP 54 4.065 -0.703 11.500 1146 HD1 TRP 54 HD TRP 54 2.521 -1.641 14.941 1147 HE1 TRP 54 1HE TRP 54 3.806 -0.351 16.751 1148 HE3 TRP 54 3HE TRP 54 5.767 0.917 11.935 1149 HZ2 TRP 54 2HZ TRP 54 5.932 1.520 16.887 1150 HZ3 TRP 54 3HZ TRP 54 7.395 2.438 12.985 1151 HH2 TRP 54 HH TRP 54 7.471 2.734 15.408 1152 H HIS 55 H HIS 55 1.852 0.592 9.815 1153 HA HIS 55 HA HIS 55 1.018 -1.686 8.142 1154 1HB HIS 55 2HB HIS 55 0.681 1.220 7.421 1155 2HB HIS 55 1HB HIS 55 -0.174 -0.174 6.771 1156 HD1 HIS 55 1HD HIS 55 -1.504 -1.500 8.973 1157 HD2 HIS 55 2HD HIS 55 -0.946 2.612 9.046 1158 HE1 HIS 55 1HE HIS 55 -3.220 -0.618 10.584 1159 HE2 HIS 55 2HE HIS 55 -2.928 1.883 10.538 1160 H CYS 56 H CYS 56 2.236 -2.155 6.302 1161 HA CYS 56 HA CYS 56 4.452 -0.342 5.675 1162 1HB CYS 56 2HB CYS 56 5.346 -1.982 7.252 1163 2HB CYS 56 1HB CYS 56 4.791 -3.295 6.218 1164 HG CYS 56 HG CYS 56 6.795 -3.047 4.822 1165 H ILE 57 H ILE 57 5.427 -0.625 3.659 1166 HA ILE 57 HA ILE 57 4.223 -2.426 1.717 1167 HB ILE 57 HB ILE 57 4.244 0.568 1.280 1168 1HG1 ILE 57 2HG1 ILE 57 1.910 -1.308 1.713 1169 2HG1 ILE 57 1HG1 ILE 57 2.488 -0.109 2.865 1170 1HG2 ILE 57 1HG2 ILE 57 3.797 0.204 -0.882 1171 2HG2 ILE 57 2HG2 ILE 57 2.674 -1.106 -0.525 1172 3HG2 ILE 57 3HG2 ILE 57 4.404 -1.425 -0.594 1173 1HD1 ILE 57 1HD1 ILE 57 1.153 0.353 0.219 1174 2HD1 ILE 57 2HD1 ILE 57 1.996 1.627 1.099 1175 3HD1 ILE 57 3HD1 ILE 57 0.603 0.828 1.825 1176 H VAL 58 H VAL 58 5.643 -2.880 0.001 1177 HA VAL 58 HA VAL 58 8.117 -1.329 -0.160 1178 HB VAL 58 HB VAL 58 8.121 -4.327 0.221 1179 1HG1 VAL 58 1HG1 VAL 58 10.575 -4.056 0.317 1180 2HG1 VAL 58 2HG1 VAL 58 10.381 -2.359 -0.121 1181 3HG1 VAL 58 3HG1 VAL 58 9.901 -3.622 -1.254 1182 1HG2 VAL 58 1HG2 VAL 58 7.766 -3.591 2.362 1183 2HG2 VAL 58 2HG2 VAL 58 8.576 -2.049 2.083 1184 3HG2 VAL 58 3HG2 VAL 58 9.527 -3.520 2.286 1185 H GLY 59 H GLY 59 8.860 -1.112 -2.167 1186 1HA GLY 59 2HA GLY 59 8.839 -2.928 -4.240 1187 2HA GLY 59 1HA GLY 59 7.310 -2.067 -4.362 1188 H ARG 60 H ARG 60 7.566 -0.769 -6.080 1189 HA ARG 60 HA ARG 60 8.959 1.620 -5.936 1190 1HB ARG 60 2HB ARG 60 11.003 0.211 -6.063 1191 2HB ARG 60 1HB ARG 60 10.468 -0.389 -7.625 1192 1HG ARG 60 2HG ARG 60 10.617 1.861 -8.551 1193 2HG ARG 60 1HG ARG 60 11.115 2.482 -6.978 1194 1HD ARG 60 2HD ARG 60 12.618 0.337 -8.450 1195 2HD ARG 60 1HD ARG 60 12.960 2.051 -8.655 1196 HE ARG 60 HE ARG 60 13.790 0.400 -6.505 1197 1HH1 ARG 60 1HH1 ARG 60 12.729 3.642 -7.233 1198 2HH1 ARG 60 2HH1 ARG 60 13.572 4.354 -5.902 1199 1HH2 ARG 60 1HH2 ARG 60 14.904 1.341 -4.748 1200 2HH2 ARG 60 2HH2 ARG 60 14.801 3.049 -4.489 1201 H ASN 61 H ASN 61 6.483 0.941 -6.742 1202 HA ASN 61 HA ASN 61 6.031 2.342 -9.061 1203 1HB ASN 61 2HB ASN 61 7.193 0.463 -10.213 1204 2HB ASN 61 1HB ASN 61 5.986 -0.646 -9.574 1205 1HD2 ASN 61 1HD2 ASN 61 4.297 -1.048 -10.797 1206 2HD2 ASN 61 2HD2 ASN 61 3.765 -0.095 -12.135 1207 H PHE 62 H PHE 62 4.589 2.791 -7.106 1208 HA PHE 62 HA PHE 62 1.986 1.686 -7.588 1209 1HB PHE 62 2HB PHE 62 1.693 0.592 -5.439 1210 2HB PHE 62 1HB PHE 62 3.051 -0.123 -6.301 1211 HD1 PHE 62 1HD PHE 62 2.208 2.334 -3.651 1212 HD2 PHE 62 2HD PHE 62 5.164 -0.242 -5.308 1213 HE1 PHE 62 1HE PHE 62 3.667 2.768 -1.718 1214 HE2 PHE 62 2HE PHE 62 6.622 0.181 -3.375 1215 HZ PHE 62 HZ PHE 62 5.876 1.689 -1.576 1216 H GLY 63 H GLY 63 0.358 2.856 -6.731 1217 1HA GLY 63 2HA GLY 63 1.111 5.331 -5.321 1218 2HA GLY 63 1HA GLY 63 -0.411 5.048 -6.166 1219 H SER 64 H SER 64 0.470 5.698 -3.195 1220 HA SER 64 HA SER 64 -1.441 3.763 -2.074 1221 1HB SER 64 2HB SER 64 1.217 4.471 -0.824 1222 2HB SER 64 1HB SER 64 -0.027 3.470 -0.079 1223 HG SER 64 HG SER 64 1.755 2.382 -1.270 1224 H TYR 65 H TYR 65 -2.630 4.368 -0.344 1225 HA TYR 65 HA TYR 65 -2.330 7.023 0.810 1226 1HB TYR 65 2HB TYR 65 -3.935 6.968 -1.292 1227 2HB TYR 65 1HB TYR 65 -5.065 6.249 -0.151 1228 HD1 TYR 65 1HD TYR 65 -2.665 9.118 -0.186 1229 HD2 TYR 65 2HD TYR 65 -6.565 7.730 0.792 1230 HE1 TYR 65 1HE TYR 65 -3.261 11.370 0.599 1231 HE2 TYR 65 2HE TYR 65 -7.172 9.980 1.582 1232 HH TYR 65 HH TYR 65 -4.989 12.339 2.275 1233 H VAL 66 H VAL 66 -2.710 6.889 2.951 1234 HA VAL 66 HA VAL 66 -4.566 4.942 4.060 1235 HB VAL 66 HB VAL 66 -1.642 4.872 4.820 1236 1HG1 VAL 66 1HG1 VAL 66 -4.031 3.294 5.701 1237 2HG1 VAL 66 2HG1 VAL 66 -2.869 4.183 6.685 1238 3HG1 VAL 66 3HG1 VAL 66 -2.390 2.683 5.892 1239 1HG2 VAL 66 1HG2 VAL 66 -1.638 2.618 3.738 1240 2HG2 VAL 66 2HG2 VAL 66 -1.803 3.966 2.613 1241 3HG2 VAL 66 3HG2 VAL 66 -3.215 3.006 3.052 1242 H THR 67 H THR 67 -4.598 5.122 6.515 1243 HA THR 67 HA THR 67 -4.079 7.910 7.312 1244 HB THR 67 HB THR 67 -6.091 5.933 8.423 1245 HG1 THR 67 1HG THR 67 -6.929 6.662 6.563 1246 1HG2 THR 67 1HG2 THR 67 -5.192 8.555 9.388 1247 2HG2 THR 67 2HG2 THR 67 -5.956 7.219 10.251 1248 3HG2 THR 67 3HG2 THR 67 -6.938 8.329 9.294 1249 H HIS 68 H HIS 68 -3.191 8.313 9.404 1250 HA HIS 68 HA HIS 68 -2.298 6.100 11.021 1251 1HB HIS 68 2HB HIS 68 0.125 6.639 10.716 1252 2HB HIS 68 1HB HIS 68 -0.642 5.958 9.281 1253 HD1 HIS 68 1HD HIS 68 0.505 9.286 10.666 1254 HD2 HIS 68 2HD HIS 68 -0.570 7.544 7.051 1255 HE1 HIS 68 1HE HIS 68 1.010 11.014 8.912 1256 HE2 HIS 68 2HE HIS 68 0.459 9.896 6.723 1257 H GLU 69 H GLU 69 -1.655 6.676 13.033 1258 HA GLU 69 HA GLU 69 -2.463 9.175 14.050 1259 1HB GLU 69 2HB GLU 69 -2.466 7.132 15.395 1260 2HB GLU 69 1HB GLU 69 -0.714 7.040 15.285 1261 1HG GLU 69 2HG GLU 69 -0.519 9.122 16.527 1262 2HG GLU 69 1HG GLU 69 -2.275 9.229 16.628 1263 H THR 70 H THR 70 -1.230 10.884 14.931 1264 HA THR 70 HA THR 70 0.891 11.812 13.419 1265 HB THR 70 HB THR 70 1.299 13.423 15.256 1266 HG1 THR 70 1HG THR 70 0.789 12.836 17.185 1267 1HG2 THR 70 1HG2 THR 70 -0.941 13.280 13.700 1268 2HG2 THR 70 2HG2 THR 70 -0.480 14.641 14.722 1269 3HG2 THR 70 3HG2 THR 70 -1.607 13.427 15.326 1270 H LYS 71 H LYS 71 3.127 12.084 13.851 1271 HA LYS 71 HA LYS 71 5.209 11.362 14.409 1272 1HB LYS 71 2HB LYS 71 3.780 10.508 16.931 1273 2HB LYS 71 1HB LYS 71 5.525 10.447 16.721 1274 1HG LYS 71 2HG LYS 71 3.829 12.931 16.596 1275 2HG LYS 71 1HG LYS 71 4.836 12.430 17.956 1276 1HD LYS 71 2HD LYS 71 6.824 12.571 16.527 1277 2HD LYS 71 1HD LYS 71 5.813 13.077 15.173 1278 1HE LYS 71 2HE LYS 71 6.904 14.988 16.228 1279 2HE LYS 71 1HE LYS 71 5.152 15.076 16.401 1280 1HZ LYS 71 1HZ LYS 71 5.294 14.422 18.650 1281 2HZ LYS 71 2HZ LYS 71 6.470 15.619 18.442 1282 3HZ LYS 71 3HZ LYS 71 6.925 13.991 18.513 1283 H HIS 72 H HIS 72 3.663 9.749 12.772 1284 HA HIS 72 HA HIS 72 5.041 7.241 13.085 1285 1HB HIS 72 2HB HIS 72 2.017 7.296 13.150 1286 2HB HIS 72 1HB HIS 72 3.001 5.847 12.989 1287 HD1 HIS 72 1HD HIS 72 4.881 5.746 15.134 1288 HD2 HIS 72 2HD HIS 72 1.218 7.624 15.700 1289 HE1 HIS 72 1HE HIS 72 4.528 5.794 17.623 1290 HE2 HIS 72 2HE HIS 72 2.342 7.008 17.945 1291 H PHE 73 H PHE 73 5.817 8.476 11.132 1292 HA PHE 73 HA PHE 73 4.541 7.358 8.786 1293 1HB PHE 73 2HB PHE 73 3.347 9.443 8.909 1294 2HB PHE 73 1HB PHE 73 4.827 10.339 9.204 1295 HD1 PHE 73 1HD PHE 73 6.640 10.095 7.266 1296 HD2 PHE 73 2HD PHE 73 2.455 9.480 6.804 1297 HE1 PHE 73 1HE PHE 73 6.847 10.519 4.853 1298 HE2 PHE 73 2HE PHE 73 2.656 9.907 4.391 1299 HZ PHE 73 HZ PHE 73 4.853 10.425 3.412 1300 H ILE 74 H ILE 74 6.073 6.668 7.403 1301 HA ILE 74 HA ILE 74 8.576 8.071 7.125 1302 HB ILE 74 HB ILE 74 9.088 6.824 9.120 1303 1HG1 ILE 74 2HG1 ILE 74 10.365 5.518 6.706 1304 2HG1 ILE 74 1HG1 ILE 74 10.875 7.036 7.440 1305 1HG2 ILE 74 1HG2 ILE 74 7.546 5.078 9.181 1306 2HG2 ILE 74 2HG2 ILE 74 9.095 4.271 8.941 1307 3HG2 ILE 74 3HG2 ILE 74 7.999 4.498 7.578 1308 1HD1 ILE 74 1HD1 ILE 74 11.174 4.250 8.446 1309 2HD1 ILE 74 2HD1 ILE 74 11.126 5.596 9.583 1310 3HD1 ILE 74 3HD1 ILE 74 12.369 5.543 8.332 1311 H TYR 75 H TYR 75 9.718 7.529 5.330 1312 HA TYR 75 HA TYR 75 9.057 5.244 3.699 1313 1HB TYR 75 2HB TYR 75 7.277 6.880 3.107 1314 2HB TYR 75 1HB TYR 75 8.521 8.042 2.663 1315 HD1 TYR 75 1HD TYR 75 10.296 7.033 0.892 1316 HD2 TYR 75 2HD TYR 75 6.285 5.712 1.402 1317 HE1 TYR 75 1HE TYR 75 10.306 6.139 -1.396 1318 HE2 TYR 75 2HE TYR 75 6.284 4.814 -0.885 1319 HH TYR 75 HH TYR 75 8.210 5.646 -3.187 1320 H PHE 76 H PHE 76 10.853 4.656 2.532 1321 HA PHE 76 HA PHE 76 12.801 6.575 1.680 1322 1HB PHE 76 2HB PHE 76 14.645 5.792 3.111 1323 2HB PHE 76 1HB PHE 76 13.348 6.509 4.057 1324 HD1 PHE 76 1HD PHE 76 14.525 3.189 2.831 1325 HD2 PHE 76 2HD PHE 76 12.578 5.387 5.910 1326 HE1 PHE 76 1HE PHE 76 14.409 1.152 4.205 1327 HE2 PHE 76 2HE PHE 76 12.463 3.355 7.291 1328 HZ PHE 76 HZ PHE 76 13.378 1.234 6.439 1329 H TYR 77 H TYR 77 14.148 5.796 0.138 1330 HA TYR 77 HA TYR 77 13.565 3.200 -0.942 1331 1HB TYR 77 2HB TYR 77 15.394 5.435 -1.788 1332 2HB TYR 77 1HB TYR 77 15.399 3.880 -2.608 1333 HD1 TYR 77 1HD TYR 77 12.954 3.043 -3.301 1334 HD2 TYR 77 2HD TYR 77 14.070 7.100 -2.679 1335 HE1 TYR 77 1HE TYR 77 11.080 3.767 -4.716 1336 HE2 TYR 77 2HE TYR 77 12.194 7.837 -4.089 1337 HH TYR 77 HH TYR 77 10.764 6.965 -5.856 1338 H LEU 78 H LEU 78 14.910 1.448 -1.106 1339 HA LEU 78 HA LEU 78 17.602 1.394 -0.231 1340 1HB LEU 78 2HB LEU 78 16.512 1.625 1.961 1341 2HB LEU 78 1HB LEU 78 15.560 0.191 1.637 1342 HG LEU 78 HG LEU 78 17.594 -1.174 1.607 1343 1HD1 LEU 78 1HD1 LEU 78 19.425 -0.021 0.970 1344 2HD1 LEU 78 2HD1 LEU 78 19.606 0.227 2.707 1345 3HD1 LEU 78 3HD1 LEU 78 18.870 1.482 1.711 1346 1HD2 LEU 78 1HD2 LEU 78 18.292 -0.417 4.096 1347 2HD2 LEU 78 2HD2 LEU 78 16.833 -1.336 3.724 1348 3HD2 LEU 78 3HD2 LEU 78 16.743 0.412 3.940 1349 H GLY 79 H GLY 79 18.614 -0.476 -0.859 1350 1HA GLY 79 2HA GLY 79 18.906 -2.431 -2.027 1351 2HA GLY 79 1HA GLY 79 17.474 -2.993 -1.178 1352 H GLN 80 H GLN 80 17.712 -0.334 -3.482 1353 HA GLN 80 HA GLN 80 16.648 0.084 -5.438 1354 1HB GLN 80 2HB GLN 80 17.042 -2.895 -5.687 1355 2HB GLN 80 1HB GLN 80 16.345 -1.923 -6.974 1356 1HG GLN 80 2HG GLN 80 18.690 -2.305 -7.382 1357 2HG GLN 80 1HG GLN 80 18.393 -0.595 -7.082 1358 1HE2 GLN 80 1HE2 GLN 80 20.323 -3.189 -6.354 1359 2HE2 GLN 80 2HE2 GLN 80 21.072 -2.584 -4.921 1360 H VAL 81 H VAL 81 15.029 -0.265 -3.108 1361 HA VAL 81 HA VAL 81 12.477 -0.578 -4.395 1362 HB VAL 81 HB VAL 81 11.592 -2.257 -2.806 1363 1HG1 VAL 81 1HG1 VAL 81 13.939 -3.360 -4.336 1364 2HG1 VAL 81 2HG1 VAL 81 12.429 -2.849 -5.092 1365 3HG1 VAL 81 3HG1 VAL 81 12.429 -4.179 -3.934 1366 1HG2 VAL 81 1HG2 VAL 81 14.484 -2.643 -2.042 1367 2HG2 VAL 81 2HG2 VAL 81 13.132 -3.644 -1.513 1368 3HG2 VAL 81 3HG2 VAL 81 13.226 -1.955 -1.014 1369 H ALA 82 H ALA 82 11.101 0.840 -3.547 1370 HA ALA 82 HA ALA 82 11.854 2.493 -1.364 1371 1HB ALA 82 1HB ALA 82 9.063 2.727 -2.005 1372 2HB ALA 82 2HB ALA 82 10.027 2.633 -3.478 1373 3HB ALA 82 3HB ALA 82 10.375 3.875 -2.275 1374 H ILE 83 H ILE 83 11.320 2.414 0.733 1375 HA ILE 83 HA ILE 83 9.531 0.238 1.593 1376 HB ILE 83 HB ILE 83 11.752 1.576 3.146 1377 1HG1 ILE 83 2HG1 ILE 83 11.548 -1.185 1.921 1378 2HG1 ILE 83 1HG1 ILE 83 12.595 0.119 1.370 1379 1HG2 ILE 83 1HG2 ILE 83 11.326 -0.328 4.748 1380 2HG2 ILE 83 2HG2 ILE 83 9.820 -0.613 3.875 1381 3HG2 ILE 83 3HG2 ILE 83 10.084 0.924 4.696 1382 1HD1 ILE 83 1HD1 ILE 83 14.147 -0.333 2.904 1383 2HD1 ILE 83 2HD1 ILE 83 13.321 -1.882 3.065 1384 3HD1 ILE 83 3HD1 ILE 83 12.956 -0.567 4.183 1385 H LEU 84 H LEU 84 7.835 0.659 2.910 1386 HA LEU 84 HA LEU 84 7.466 3.426 3.838 1387 1HB LEU 84 2HB LEU 84 6.124 3.068 1.824 1388 2HB LEU 84 1HB LEU 84 5.385 1.657 2.554 1389 HG LEU 84 HG LEU 84 4.345 3.091 4.266 1390 1HD1 LEU 84 1HD1 LEU 84 4.933 5.205 4.612 1391 2HD1 LEU 84 2HD1 LEU 84 4.737 5.610 2.906 1392 3HD1 LEU 84 3HD1 LEU 84 6.263 4.944 3.484 1393 1HD2 LEU 84 1HD2 LEU 84 2.782 2.786 2.659 1394 2HD2 LEU 84 2HD2 LEU 84 3.837 3.360 1.368 1395 3HD2 LEU 84 3HD2 LEU 84 3.024 4.518 2.423 1396 H LEU 85 H LEU 85 6.552 3.671 5.845 1397 HA LEU 85 HA LEU 85 5.331 1.434 7.197 1398 1HB LEU 85 2HB LEU 85 7.693 0.945 7.532 1399 2HB LEU 85 1HB LEU 85 7.955 2.553 8.173 1400 HG LEU 85 HG LEU 85 6.481 2.020 10.081 1401 1HD1 LEU 85 1HD1 LEU 85 6.331 -0.714 10.147 1402 2HD1 LEU 85 2HD1 LEU 85 5.967 -0.350 8.460 1403 3HD1 LEU 85 3HD1 LEU 85 5.005 0.378 9.746 1404 1HD2 LEU 85 1HD2 LEU 85 8.032 0.138 10.997 1405 2HD2 LEU 85 2HD2 LEU 85 8.698 1.732 10.641 1406 3HD2 LEU 85 3HD2 LEU 85 8.924 0.405 9.501 1407 H PHE 86 H PHE 86 4.132 2.006 8.976 1408 HA PHE 86 HA PHE 86 4.272 4.353 10.444 1409 1HB PHE 86 2HB PHE 86 2.354 5.633 9.489 1410 2HB PHE 86 1HB PHE 86 3.765 5.593 8.441 1411 HD1 PHE 86 1HD PHE 86 0.477 3.959 9.005 1412 HD2 PHE 86 2HD PHE 86 3.563 4.915 6.238 1413 HE1 PHE 86 1HE PHE 86 -0.924 3.130 7.160 1414 HE2 PHE 86 2HE PHE 86 2.168 4.090 4.389 1415 HZ PHE 86 HZ PHE 86 -0.080 3.196 4.849 1416 H LYS 87 H LYS 87 3.105 4.026 12.228 1417 HA LYS 87 HA LYS 87 1.131 1.872 12.173 1418 1HB LYS 87 2HB LYS 87 1.490 1.629 14.526 1419 2HB LYS 87 1HB LYS 87 3.054 1.729 13.740 1420 1HG LYS 87 2HG LYS 87 3.466 3.141 15.446 1421 2HG LYS 87 1HG LYS 87 2.742 4.304 14.333 1422 1HD LYS 87 2HD LYS 87 1.710 4.622 16.459 1423 2HD LYS 87 1HD LYS 87 0.532 3.819 15.418 1424 1HE LYS 87 2HE LYS 87 1.062 1.676 16.431 1425 2HE LYS 87 1HE LYS 87 2.295 2.437 17.435 1426 1HZ LYS 87 1HZ LYS 87 0.772 3.147 18.879 1427 2HZ LYS 87 2HZ LYS 87 -0.281 2.041 18.152 1428 3HZ LYS 87 3HZ LYS 87 -0.294 3.663 17.671 1429 H SER 88 H SER 88 -0.656 2.084 13.842 1430 HA SER 88 HA SER 88 -1.688 4.803 14.102 1431 1HB SER 88 2HB SER 88 -3.264 2.578 12.782 1432 2HB SER 88 1HB SER 88 -3.840 4.213 13.102 1433 HG SER 88 HG SER 88 -1.837 3.381 11.288 1434 H GLY 89 H GLY 89 -2.907 5.092 15.898 1435 1HA GLY 89 2HA GLY 89 -3.830 4.649 17.951 1436 2HA GLY 89 1HA GLY 89 -4.437 3.171 17.224 1437 1H MET 1 1HT MET 1 -6.144 -12.933 14.950 1438 2H MET 1 2HT MET 1 -6.751 -11.339 15.137 1439 3H MET 1 3HT MET 1 -5.440 -11.880 16.105 1440 HA MET 1 HA MET 1 -4.451 -10.581 14.536 1441 1HB MET 1 2HB MET 1 -4.414 -13.433 13.523 1442 2HB MET 1 1HB MET 1 -3.210 -12.204 13.153 1443 1HG MET 1 2HG MET 1 -3.814 -13.347 15.870 1444 2HG MET 1 1HG MET 1 -2.410 -13.710 14.870 1445 1HE MET 1 1HE MET 1 -1.709 -10.359 13.890 1446 2HE MET 1 2HE MET 1 -0.929 -11.941 13.930 1447 3HE MET 1 3HE MET 1 -0.288 -10.617 14.903 1448 H LYS 2 H LYS 2 -4.556 -9.447 12.664 1449 HA LYS 2 HA LYS 2 -6.074 -10.377 10.396 1450 1HB LYS 2 2HB LYS 2 -6.986 -7.943 11.938 1451 2HB LYS 2 1HB LYS 2 -7.596 -8.428 10.363 1452 1HG LYS 2 2HG LYS 2 -8.509 -10.464 11.308 1453 2HG LYS 2 1HG LYS 2 -7.837 -10.053 12.886 1454 1HD LYS 2 2HD LYS 2 -9.886 -8.427 11.387 1455 2HD LYS 2 1HD LYS 2 -10.232 -9.520 12.729 1456 1HE LYS 2 2HE LYS 2 -8.752 -8.163 14.166 1457 2HE LYS 2 1HE LYS 2 -8.505 -7.047 12.824 1458 1HZ LYS 2 1HZ LYS 2 -11.244 -7.327 13.118 1459 2HZ LYS 2 2HZ LYS 2 -10.303 -5.976 13.504 1460 3HZ LYS 2 3HZ LYS 2 -10.631 -7.142 14.684 1461 H ASP 3 H ASP 3 -4.987 -9.787 8.654 1462 HA ASP 3 HA ASP 3 -4.081 -7.149 8.253 1463 1HB ASP 3 2HB ASP 3 -1.638 -7.609 8.194 1464 2HB ASP 3 1HB ASP 3 -2.334 -7.708 9.809 1465 H THR 4 H THR 4 -4.046 -6.742 6.198 1466 HA THR 4 HA THR 4 -4.432 -8.755 4.239 1467 HB THR 4 HB THR 4 -3.962 -5.796 4.125 1468 HG1 THR 4 1HG THR 4 -6.156 -5.751 3.641 1469 1HG2 THR 4 1HG2 THR 4 -5.205 -6.623 1.747 1470 2HG2 THR 4 2HG2 THR 4 -3.765 -7.622 1.944 1471 3HG2 THR 4 3HG2 THR 4 -3.625 -5.863 1.942 1472 H GLY 5 H GLY 5 -3.012 -9.508 2.687 1473 1HA GLY 5 2HA GLY 5 -0.307 -8.430 2.587 1474 2HA GLY 5 1HA GLY 5 -0.457 -10.092 3.142 1475 H ILE 6 H ILE 6 0.290 -8.340 0.531 1476 HA ILE 6 HA ILE 6 -0.177 -10.545 -1.255 1477 HB ILE 6 HB ILE 6 -1.371 -9.155 -2.960 1478 1HG1 ILE 6 2HG1 ILE 6 -2.752 -7.252 -1.907 1479 2HG1 ILE 6 1HG1 ILE 6 -1.550 -7.271 -0.622 1480 1HG2 ILE 6 1HG2 ILE 6 -2.992 -9.474 -0.449 1481 2HG2 ILE 6 2HG2 ILE 6 -2.463 -10.840 -1.432 1482 3HG2 ILE 6 3HG2 ILE 6 -3.532 -9.618 -2.123 1483 1HD1 ILE 6 1HD1 ILE 6 -0.369 -7.180 -3.274 1484 2HD1 ILE 6 2HD1 ILE 6 -0.070 -6.170 -1.861 1485 3HD1 ILE 6 3HD1 ILE 6 -1.421 -5.808 -2.932 1486 H GLN 7 H GLN 7 1.158 -10.558 -2.996 1487 HA GLN 7 HA GLN 7 3.128 -8.385 -3.129 1488 1HB GLN 7 2HB GLN 7 4.549 -10.058 -4.326 1489 2HB GLN 7 1HB GLN 7 4.159 -10.504 -2.672 1490 1HG GLN 7 2HG GLN 7 2.407 -12.005 -3.503 1491 2HG GLN 7 1HG GLN 7 2.839 -11.579 -5.155 1492 1HE2 GLN 7 1HE2 GLN 7 5.669 -11.583 -3.464 1493 2HE2 GLN 7 2HE2 GLN 7 6.169 -13.208 -3.755 1494 H VAL 8 H VAL 8 1.977 -6.970 -4.442 1495 HA VAL 8 HA VAL 8 0.702 -7.759 -6.850 1496 HB VAL 8 HB VAL 8 1.673 -4.999 -6.106 1497 1HG1 VAL 8 1HG1 VAL 8 1.085 -5.248 -8.466 1498 2HG1 VAL 8 2HG1 VAL 8 -0.070 -4.217 -7.620 1499 3HG1 VAL 8 3HG1 VAL 8 -0.494 -5.885 -8.005 1500 1HG2 VAL 8 1HG2 VAL 8 -0.892 -4.856 -5.520 1501 2HG2 VAL 8 2HG2 VAL 8 0.292 -5.421 -4.343 1502 3HG2 VAL 8 3HG2 VAL 8 -0.682 -6.585 -5.240 1503 H ASP 9 H ASP 9 1.414 -7.893 -8.886 1504 HA ASP 9 HA ASP 9 3.681 -6.608 -9.939 1505 1HB ASP 9 1HB ASP 9 4.090 -9.524 -9.234 1506 2HB ASP 9 2HB ASP 9 4.921 -8.160 -8.492 1507 H ARG 10 H ARG 10 3.381 -6.509 -12.066 1508 HA ARG 10 HA ARG 10 1.222 -7.821 -13.313 1509 1HB ARG 10 2HB ARG 10 3.565 -6.330 -14.499 1510 2HB ARG 10 1HB ARG 10 2.168 -6.868 -15.422 1511 1HG ARG 10 2HG ARG 10 2.069 -4.967 -13.091 1512 2HG ARG 10 1HG ARG 10 2.043 -4.497 -14.792 1513 1HD ARG 10 2HD ARG 10 0.008 -6.270 -13.448 1514 2HD ARG 10 1HD ARG 10 -0.207 -4.552 -13.778 1515 HE ARG 10 HE ARG 10 0.445 -5.812 -16.179 1516 1HH1 ARG 10 1HH1 ARG 10 -2.149 -5.810 -13.846 1517 2HH1 ARG 10 2HH1 ARG 10 -3.371 -6.180 -15.017 1518 1HH2 ARG 10 1HH2 ARG 10 -1.159 -6.291 -17.722 1519 2HH2 ARG 10 2HH2 ARG 10 -2.808 -6.445 -17.219 1520 H ASP 11 H ASP 11 1.056 -9.633 -14.449 1521 HA ASP 11 HA ASP 11 3.320 -10.973 -15.602 1522 1HB ASP 11 2HB ASP 11 1.846 -12.274 -13.297 1523 2HB ASP 11 1HB ASP 11 3.020 -13.079 -14.333 1524 H LEU 12 H LEU 12 0.868 -9.851 -16.529 1525 HA LEU 12 HA LEU 12 -0.893 -12.075 -17.126 1526 1HB LEU 12 2HB LEU 12 -0.972 -9.173 -17.959 1527 2HB LEU 12 1HB LEU 12 -2.193 -10.356 -18.385 1528 HG LEU 12 HG LEU 12 -2.664 -10.682 -15.961 1529 1HD1 LEU 12 1HD1 LEU 12 -0.835 -10.066 -14.736 1530 2HD1 LEU 12 2HD1 LEU 12 -1.817 -8.609 -14.585 1531 3HD1 LEU 12 3HD1 LEU 12 -0.490 -8.661 -15.744 1532 1HD2 LEU 12 1HD2 LEU 12 -3.232 -8.346 -17.578 1533 2HD2 LEU 12 2HD2 LEU 12 -3.316 -7.992 -15.852 1534 3HD2 LEU 12 3HD2 LEU 12 -4.299 -9.287 -16.535 1535 H ASP 13 H ASP 13 1.519 -12.712 -18.112 1536 HA ASP 13 HA ASP 13 1.015 -12.823 -20.958 1537 1HB ASP 13 2HB ASP 13 3.574 -11.613 -19.880 1538 2HB ASP 13 1HB ASP 13 3.307 -12.067 -21.559 1539 H GLY 14 H GLY 14 3.212 -13.610 -18.290 1540 1HA GLY 14 2HA GLY 14 4.260 -15.575 -17.731 1541 2HA GLY 14 1HA GLY 14 3.117 -16.389 -18.790 1542 H LYS 15 H LYS 15 5.373 -13.888 -19.774 1543 HA LYS 15 HA LYS 15 7.319 -15.709 -20.832 1544 1HB LYS 15 2HB LYS 15 5.550 -14.190 -22.762 1545 2HB LYS 15 1HB LYS 15 7.010 -15.065 -23.202 1546 1HG LYS 15 2HG LYS 15 5.949 -17.155 -22.427 1547 2HG LYS 15 1HG LYS 15 4.472 -16.248 -22.095 1548 1HD LYS 15 2HD LYS 15 5.808 -16.521 -24.786 1549 2HD LYS 15 1HD LYS 15 4.357 -17.379 -24.261 1550 1HE LYS 15 2HE LYS 15 4.647 -14.388 -24.545 1551 2HE LYS 15 1HE LYS 15 3.798 -15.457 -25.663 1552 1HZ LYS 15 1HZ LYS 15 3.047 -14.710 -22.906 1553 2HZ LYS 15 2HZ LYS 15 2.415 -16.098 -23.637 1554 3HZ LYS 15 3HZ LYS 15 2.134 -14.578 -24.324 1555 H SER 16 H SER 16 9.250 -14.687 -21.076 1556 HA SER 16 HA SER 16 9.613 -12.109 -20.060 1557 1HB SER 16 2HB SER 16 11.444 -13.695 -21.878 1558 2HB SER 16 1HB SER 16 11.919 -12.283 -20.934 1559 HG SER 16 HG SER 16 12.050 -13.495 -19.221 1560 H HIS 17 H HIS 17 8.923 -10.276 -20.918 1561 HA HIS 17 HA HIS 17 9.771 -9.240 -23.349 1562 1HB HIS 17 2HB HIS 17 8.331 -10.927 -24.400 1563 2HB HIS 17 1HB HIS 17 6.953 -10.343 -23.475 1564 HD1 HIS 17 1HD HIS 17 9.491 -8.681 -25.790 1565 HD2 HIS 17 2HD HIS 17 5.404 -8.814 -25.056 1566 HE1 HIS 17 1HE HIS 17 8.455 -7.125 -27.473 1567 HE2 HIS 17 2HE HIS 17 5.973 -7.297 -27.072 1568 H LYS 18 H LYS 18 6.938 -9.344 -21.208 1569 HA LYS 18 HA LYS 18 7.327 -6.593 -20.460 1570 1HB LYS 18 2HB LYS 18 4.830 -7.374 -21.976 1571 2HB LYS 18 1HB LYS 18 5.068 -5.847 -21.143 1572 1HG LYS 18 2HG LYS 18 6.961 -5.357 -22.646 1573 2HG LYS 18 1HG LYS 18 6.627 -6.856 -23.512 1574 1HD LYS 18 2HD LYS 18 4.728 -4.531 -23.206 1575 2HD LYS 18 1HD LYS 18 5.650 -4.929 -24.657 1576 1HE LYS 18 2HE LYS 18 4.483 -7.074 -24.808 1577 2HE LYS 18 1HE LYS 18 3.565 -6.681 -23.356 1578 1HZ LYS 18 1HZ LYS 18 2.388 -5.026 -24.456 1579 2HZ LYS 18 2HZ LYS 18 2.477 -6.263 -25.606 1580 3HZ LYS 18 3HZ LYS 18 3.500 -4.922 -25.727 1581 1H MET 1 1HT MET 1 -2.934 13.349 13.649 1582 2H MET 1 2HT MET 1 -3.158 12.107 14.812 1583 3H MET 1 3HT MET 1 -4.487 13.077 14.322 1584 HA MET 1 HA MET 1 -3.189 10.853 13.002 1585 1HB MET 1 2HB MET 1 -6.006 11.957 13.092 1586 2HB MET 1 1HB MET 1 -5.535 10.440 12.339 1587 1HG MET 1 2HG MET 1 -4.828 9.577 14.508 1588 2HG MET 1 1HG MET 1 -5.290 11.100 15.265 1589 1HE MET 1 1HE MET 1 -7.726 7.751 13.582 1590 2HE MET 1 2HE MET 1 -6.357 8.558 12.820 1591 3HE MET 1 3HE MET 1 -7.996 9.141 12.531 1592 H LYS 2 H LYS 2 -2.866 10.698 10.833 1593 HA LYS 2 HA LYS 2 -3.889 12.674 9.009 1594 1HB LYS 2 2HB LYS 2 -0.923 12.519 9.559 1595 2HB LYS 2 1HB LYS 2 -1.628 13.335 8.171 1596 1HG LYS 2 2HG LYS 2 -2.850 14.828 9.708 1597 2HG LYS 2 1HG LYS 2 -2.039 14.044 11.067 1598 1HD LYS 2 2HD LYS 2 0.120 14.758 10.234 1599 2HD LYS 2 1HD LYS 2 -0.636 15.458 8.801 1600 1HE LYS 2 2HE LYS 2 -0.121 17.189 10.422 1601 2HE LYS 2 1HE LYS 2 -1.864 17.026 10.220 1602 1HZ LYS 2 1HZ LYS 2 -0.531 15.536 12.371 1603 2HZ LYS 2 2HZ LYS 2 -2.115 16.126 12.294 1604 3HZ LYS 2 3HZ LYS 2 -0.831 17.188 12.582 1605 H ASP 3 H ASP 3 -4.020 11.955 6.975 1606 HA ASP 3 HA ASP 3 -3.390 9.176 6.555 1607 1HB ASP 3 2HB ASP 3 -4.619 9.495 4.402 1608 2HB ASP 3 1HB ASP 3 -5.557 9.909 5.834 1609 H THR 4 H THR 4 -1.724 8.375 5.513 1610 HA THR 4 HA THR 4 0.330 10.047 4.469 1611 HB THR 4 HB THR 4 0.693 7.838 5.578 1612 HG1 THR 4 1HG THR 4 1.680 7.938 2.920 1613 1HG2 THR 4 1HG2 THR 4 -1.213 6.730 4.253 1614 2HG2 THR 4 2HG2 THR 4 0.249 5.805 4.591 1615 3HG2 THR 4 3HG2 THR 4 0.004 6.515 2.996 1616 H GLY 5 H GLY 5 1.025 10.243 2.307 1617 1HA GLY 5 2HA GLY 5 -0.620 9.069 0.212 1618 2HA GLY 5 1HA GLY 5 -0.671 10.820 0.335 1619 H ILE 6 H ILE 6 0.675 8.419 -1.352 1620 HA ILE 6 HA ILE 6 2.742 10.105 -2.395 1621 HB ILE 6 HB ILE 6 4.561 8.389 -2.076 1622 1HG1 ILE 6 2HG1 ILE 6 4.269 7.002 0.047 1623 2HG1 ILE 6 1HG1 ILE 6 2.545 7.327 -0.101 1624 1HG2 ILE 6 1HG2 ILE 6 3.667 9.561 0.537 1625 2HG2 ILE 6 2HG2 ILE 6 4.253 10.564 -0.790 1626 3HG2 ILE 6 3HG2 ILE 6 5.308 9.346 -0.075 1627 1HD1 ILE 6 1HD1 ILE 6 2.291 5.814 -1.713 1628 2HD1 ILE 6 2HD1 ILE 6 3.857 5.203 -1.183 1629 3HD1 ILE 6 3HD1 ILE 6 3.759 6.313 -2.549 1630 H GLN 7 H GLN 7 3.368 9.554 -4.429 1631 HA GLN 7 HA GLN 7 2.084 7.161 -5.571 1632 1HB GLN 7 2HB GLN 7 1.977 8.386 -7.702 1633 2HB GLN 7 1HB GLN 7 1.085 9.208 -6.431 1634 1HG GLN 7 2HG GLN 7 2.930 10.767 -6.127 1635 2HG GLN 7 1HG GLN 7 3.848 9.931 -7.378 1636 1HE2 GLN 7 1HE2 GLN 7 2.096 12.588 -6.814 1637 2HE2 GLN 7 2HE2 GLN 7 1.480 12.902 -8.396 1638 H VAL 8 H VAL 8 3.340 5.723 -6.575 1639 HA VAL 8 HA VAL 8 6.065 6.527 -7.331 1640 HB VAL 8 HB VAL 8 5.329 3.957 -5.913 1641 1HG1 VAL 8 1HG1 VAL 8 7.094 3.686 -7.627 1642 2HG1 VAL 8 2HG1 VAL 8 7.678 3.410 -5.986 1643 3HG1 VAL 8 3HG1 VAL 8 8.041 4.927 -6.807 1644 1HG2 VAL 8 1HG2 VAL 8 6.635 4.781 -4.069 1645 2HG2 VAL 8 2HG2 VAL 8 5.395 5.969 -4.469 1646 3HG2 VAL 8 3HG2 VAL 8 7.065 6.234 -4.971 1647 H ASP 9 H ASP 9 6.774 5.740 -9.253 1648 HA ASP 9 HA ASP 9 5.596 3.479 -10.543 1649 1HB ASP 9 2HB ASP 9 3.810 5.099 -10.950 1650 2HB ASP 9 1HB ASP 9 4.973 6.234 -11.629 1651 H ARG 10 H ARG 10 7.311 2.579 -11.466 1652 HA ARG 10 HA ARG 10 8.829 3.847 -13.467 1653 1HB ARG 10 2HB ARG 10 11.019 3.970 -12.320 1654 2HB ARG 10 1HB ARG 10 9.841 5.105 -11.673 1655 1HG ARG 10 2HG ARG 10 9.406 3.561 -9.810 1656 2HG ARG 10 1HG ARG 10 10.641 2.474 -10.450 1657 1HD ARG 10 2HD ARG 10 11.082 5.316 -9.546 1658 2HD ARG 10 1HD ARG 10 11.516 3.867 -8.643 1659 HE ARG 10 HE ARG 10 12.735 3.732 -11.154 1660 1HH1 ARG 10 1HH1 ARG 10 12.908 5.628 -8.230 1661 2HH1 ARG 10 2HH1 ARG 10 14.586 6.012 -8.430 1662 1HH2 ARG 10 1HH2 ARG 10 14.941 4.237 -11.418 1663 2HH2 ARG 10 2HH2 ARG 10 15.740 5.222 -10.240 1664 H ASP 11 H ASP 11 8.773 1.340 -10.995 1665 HA ASP 11 HA ASP 11 9.160 -0.899 -11.101 1666 1HB ASP 11 2HB ASP 11 9.257 -0.521 -14.097 1667 2HB ASP 11 1HB ASP 11 9.049 -2.047 -13.244 1668 H LEU 12 H LEU 12 11.277 0.577 -10.436 1669 HA LEU 12 HA LEU 12 13.530 0.396 -10.155 1670 1HB LEU 12 2HB LEU 12 13.395 -1.899 -12.111 1671 2HB LEU 12 1HB LEU 12 14.737 -1.510 -11.055 1672 HG LEU 12 HG LEU 12 12.005 -2.394 -10.125 1673 1HD1 LEU 12 1HD1 LEU 12 12.801 -4.377 -10.863 1674 2HD1 LEU 12 2HD1 LEU 12 13.667 -4.334 -9.328 1675 3HD1 LEU 12 3HD1 LEU 12 14.482 -3.848 -10.814 1676 1HD2 LEU 12 1HD2 LEU 12 13.996 -2.722 -8.151 1677 2HD2 LEU 12 2HD2 LEU 12 12.606 -1.637 -8.128 1678 3HD2 LEU 12 3HD2 LEU 12 14.150 -1.078 -8.772 1679 H ASP 13 H ASP 13 12.202 0.409 -13.384 1680 HA ASP 13 HA ASP 13 12.793 1.520 -15.277 1681 1HB ASP 13 2HB ASP 13 12.897 3.502 -13.888 1682 2HB ASP 13 1HB ASP 13 14.519 3.084 -13.345 1683 H GLY 14 H GLY 14 14.288 1.399 -16.949 1684 1HA GLY 14 2HA GLY 14 17.027 0.700 -16.488 1685 2HA GLY 14 1HA GLY 14 16.070 -0.687 -16.983 1686 H LYS 15 H LYS 15 14.361 0.458 -18.844 1687 HA LYS 15 HA LYS 15 15.883 1.983 -20.756 1688 1HB LYS 15 2HB LYS 15 15.207 -0.902 -21.357 1689 2HB LYS 15 1HB LYS 15 15.804 0.259 -22.533 1690 1HG LYS 15 2HG LYS 15 17.882 0.472 -21.244 1691 2HG LYS 15 1HG LYS 15 17.280 -0.729 -20.101 1692 1HD LYS 15 2HD LYS 15 18.794 -1.749 -21.715 1693 2HD LYS 15 1HD LYS 15 17.156 -2.382 -21.899 1694 1HE LYS 15 2HE LYS 15 16.784 -0.880 -23.787 1695 2HE LYS 15 1HE LYS 15 18.406 -0.220 -23.592 1696 1HZ LYS 15 1HZ LYS 15 19.372 -2.205 -24.292 1697 2HZ LYS 15 2HZ LYS 15 18.063 -2.009 -25.344 1698 3HZ LYS 15 3HZ LYS 15 17.957 -3.104 -24.060 1699 H SER 16 H SER 16 13.611 2.863 -19.754 1700 HA SER 16 HA SER 16 11.913 3.104 -21.999 1701 1HB SER 16 2HB SER 16 9.886 2.020 -21.092 1702 2HB SER 16 1HB SER 16 11.181 0.858 -21.379 1703 HG SER 16 HG SER 16 10.133 0.597 -19.330 1704 H HIS 17 H HIS 17 11.736 3.154 -18.433 1705 HA HIS 17 HA HIS 17 10.053 5.467 -18.416 1706 1HB HIS 17 2HB HIS 17 11.596 4.128 -16.188 1707 2HB HIS 17 1HB HIS 17 10.432 5.427 -15.956 1708 HD1 HIS 17 1HD HIS 17 10.406 1.996 -17.631 1709 HD2 HIS 17 2HD HIS 17 8.005 4.462 -15.305 1710 HE1 HIS 17 1HE HIS 17 8.305 0.685 -17.214 1711 HE2 HIS 17 2HE HIS 17 6.908 2.157 -15.720 1712 H LYS 18 H LYS 18 13.483 4.886 -17.733 1713 HA LYS 18 HA LYS 18 14.126 7.599 -18.487 1714 1HB LYS 18 2HB LYS 18 14.607 6.618 -15.667 1715 2HB LYS 18 1HB LYS 18 15.357 8.052 -16.353 1716 1HG LYS 18 2HG LYS 18 12.393 7.637 -16.012 1717 2HG LYS 18 1HG LYS 18 13.428 8.584 -14.942 1718 1HD LYS 18 2HD LYS 18 13.978 10.085 -16.785 1719 2HD LYS 18 1HD LYS 18 12.972 9.130 -17.876 1720 1HE LYS 18 2HE LYS 18 11.792 11.124 -17.115 1721 2HE LYS 18 1HE LYS 18 11.004 9.659 -16.531 1722 1HZ LYS 18 1HZ LYS 18 12.825 11.400 -14.956 1723 2HZ LYS 18 2HZ LYS 18 12.098 9.981 -14.392 1724 3HZ LYS 18 3HZ LYS 18 11.142 11.316 -14.793 Start of MODEL 20 1 1H MET 1 1HT MET 1 -22.776 -5.854 -9.161 2 2H MET 1 2HT MET 1 -23.776 -6.658 -10.303 3 3H MET 1 3HT MET 1 -22.864 -5.284 -10.774 4 HA MET 1 HA MET 1 -20.903 -6.734 -9.930 5 1HB MET 1 2HB MET 1 -23.066 -8.683 -10.741 6 2HB MET 1 1HB MET 1 -21.364 -9.105 -10.651 7 1HG MET 1 2HG MET 1 -22.378 -9.859 -8.656 8 2HG MET 1 1HG MET 1 -21.412 -8.445 -8.241 9 1HE MET 1 1HE MET 1 -25.758 -9.238 -8.375 10 2HE MET 1 2HE MET 1 -24.629 -9.437 -9.716 11 3HE MET 1 3HE MET 1 -25.560 -7.947 -9.561 12 H CYS 2 H CYS 2 -23.323 -6.944 -12.524 13 HA CYS 2 HA CYS 2 -21.552 -7.493 -14.624 14 1HB CYS 2 2HB CYS 2 -24.186 -6.005 -14.699 15 2HB CYS 2 1HB CYS 2 -23.349 -6.660 -16.102 16 HG CYS 2 HG CYS 2 -24.092 -8.747 -13.989 17 H ASP 3 H ASP 3 -22.738 -4.408 -13.342 18 HA ASP 3 HA ASP 3 -21.554 -2.717 -15.227 19 1HB ASP 3 2HB ASP 3 -22.110 -2.202 -12.297 20 2HB ASP 3 1HB ASP 3 -21.754 -0.960 -13.494 21 H ARG 4 H ARG 4 -19.542 -1.973 -15.537 22 HA ARG 4 HA ARG 4 -17.291 -1.729 -15.352 23 1HB ARG 4 2HB ARG 4 -18.032 -1.831 -12.436 24 2HB ARG 4 1HB ARG 4 -16.374 -1.603 -12.971 25 1HG ARG 4 2HG ARG 4 -17.493 0.507 -12.412 26 2HG ARG 4 1HG ARG 4 -16.970 0.444 -14.095 27 1HD ARG 4 2HD ARG 4 -19.228 -0.071 -14.807 28 2HD ARG 4 1HD ARG 4 -19.771 -0.125 -13.131 29 HE ARG 4 HE ARG 4 -18.630 2.376 -13.566 30 1HH1 ARG 4 1HH1 ARG 4 -21.369 0.536 -14.700 31 2HH1 ARG 4 2HH1 ARG 4 -22.347 1.936 -14.992 32 1HH2 ARG 4 1HH2 ARG 4 -19.913 4.217 -13.952 33 2HH2 ARG 4 2HH2 ARG 4 -21.519 4.025 -14.569 34 H LYS 5 H LYS 5 -15.649 -3.079 -15.709 35 HA LYS 5 HA LYS 5 -16.008 -5.871 -15.304 36 1HB LYS 5 2HB LYS 5 -13.650 -4.271 -16.305 37 2HB LYS 5 1HB LYS 5 -13.671 -6.026 -16.245 38 1HG LYS 5 2HG LYS 5 -14.180 -5.278 -18.473 39 2HG LYS 5 1HG LYS 5 -15.603 -6.040 -17.763 40 1HD LYS 5 2HD LYS 5 -16.587 -3.883 -17.312 41 2HD LYS 5 1HD LYS 5 -15.124 -3.063 -17.861 42 1HE LYS 5 2HE LYS 5 -15.467 -3.972 -20.109 43 2HE LYS 5 1HE LYS 5 -16.929 -4.788 -19.554 44 1HZ LYS 5 1HZ LYS 5 -16.466 -1.937 -20.051 45 2HZ LYS 5 2HZ LYS 5 -17.571 -2.367 -18.846 46 3HZ LYS 5 3HZ LYS 5 -17.806 -2.894 -20.435 47 H ALA 6 H ALA 6 -12.753 -5.321 -14.710 48 HA ALA 6 HA ALA 6 -11.403 -5.541 -12.897 49 1HB ALA 6 1HB ALA 6 -13.749 -4.745 -11.190 50 2HB ALA 6 2HB ALA 6 -12.766 -3.584 -12.080 51 3HB ALA 6 3HB ALA 6 -12.033 -4.579 -10.823 52 H VAL 7 H VAL 7 -10.759 -7.462 -12.161 53 HA VAL 7 HA VAL 7 -12.783 -9.444 -11.458 54 HB VAL 7 HB VAL 7 -10.915 -11.056 -11.610 55 1HG1 VAL 7 1HG1 VAL 7 -11.510 -9.355 -14.019 56 2HG1 VAL 7 2HG1 VAL 7 -12.345 -10.821 -13.506 57 3HG1 VAL 7 3HG1 VAL 7 -10.688 -10.914 -14.101 58 1HG2 VAL 7 1HG2 VAL 7 -8.769 -10.500 -12.089 59 2HG2 VAL 7 2HG2 VAL 7 -9.248 -9.002 -11.292 60 3HG2 VAL 7 3HG2 VAL 7 -9.235 -9.099 -13.052 61 H ILE 8 H ILE 8 -12.884 -10.399 -9.493 62 HA ILE 8 HA ILE 8 -11.361 -9.131 -7.353 63 HB ILE 8 HB ILE 8 -13.766 -10.955 -7.276 64 1HG1 ILE 8 2HG1 ILE 8 -14.874 -8.943 -6.331 65 2HG1 ILE 8 1HG1 ILE 8 -13.388 -8.032 -6.580 66 1HG2 ILE 8 1HG2 ILE 8 -11.908 -10.116 -5.137 67 2HG2 ILE 8 2HG2 ILE 8 -12.922 -11.554 -5.266 68 3HG2 ILE 8 3HG2 ILE 8 -13.630 -10.017 -4.767 69 1HD1 ILE 8 1HD1 ILE 8 -14.808 -9.391 -8.841 70 2HD1 ILE 8 2HD1 ILE 8 -13.612 -8.097 -8.904 71 3HD1 ILE 8 3HD1 ILE 8 -15.235 -7.769 -8.298 72 H LYS 9 H LYS 9 -9.756 -10.072 -6.291 73 HA LYS 9 HA LYS 9 -9.191 -12.905 -6.837 74 1HB LYS 9 2HB LYS 9 -7.348 -10.693 -5.915 75 2HB LYS 9 1HB LYS 9 -6.869 -12.371 -6.140 76 1HG LYS 9 2HG LYS 9 -7.872 -10.507 -8.282 77 2HG LYS 9 1HG LYS 9 -6.203 -11.021 -8.037 78 1HD LYS 9 2HD LYS 9 -6.851 -13.340 -8.470 79 2HD LYS 9 1HD LYS 9 -8.524 -12.831 -8.706 80 1HE LYS 9 2HE LYS 9 -7.833 -11.450 -10.605 81 2HE LYS 9 1HE LYS 9 -6.162 -11.964 -10.370 82 1HZ LYS 9 1HZ LYS 9 -7.291 -13.213 -12.127 83 2HZ LYS 9 2HZ LYS 9 -8.424 -13.780 -11.006 84 3HZ LYS 9 3HZ LYS 9 -6.797 -14.221 -10.860 85 H ASN 10 H ASN 10 -9.646 -10.518 -4.329 86 HA ASN 10 HA ASN 10 -10.126 -12.622 -2.392 87 1HB ASN 10 2HB ASN 10 -8.049 -10.471 -1.913 88 2HB ASN 10 1HB ASN 10 -8.629 -11.613 -0.705 89 1HD2 ASN 10 1HD2 ASN 10 -6.166 -10.983 -2.730 90 2HD2 ASN 10 2HD2 ASN 10 -5.557 -12.580 -2.976 91 H ALA 11 H ALA 11 -11.699 -12.052 -0.966 92 HA ALA 11 HA ALA 11 -12.321 -9.262 -0.506 93 1HB ALA 11 1HB ALA 11 -14.715 -9.590 -1.207 94 2HB ALA 11 2HB ALA 11 -14.195 -11.072 -2.007 95 3HB ALA 11 3HB ALA 11 -13.540 -9.517 -2.519 96 H ASP 12 H ASP 12 -13.302 -8.910 1.385 97 HA ASP 12 HA ASP 12 -14.592 -11.094 2.816 98 1HB ASP 12 2HB ASP 12 -12.262 -9.539 3.967 99 2HB ASP 12 1HB ASP 12 -13.265 -10.677 4.861 100 H MET 13 H MET 13 -16.079 -9.243 1.820 101 HA MET 13 HA MET 13 -17.106 -7.817 4.078 102 1HB MET 13 2HB MET 13 -16.932 -5.566 3.105 103 2HB MET 13 1HB MET 13 -15.349 -6.259 3.430 104 1HG MET 13 2HG MET 13 -15.227 -6.904 1.023 105 2HG MET 13 1HG MET 13 -16.715 -5.996 0.765 106 1HE MET 13 1HE MET 13 -15.551 -2.955 2.800 107 2HE MET 13 2HE MET 13 -16.925 -3.829 2.120 108 3HE MET 13 3HE MET 13 -16.144 -2.552 1.189 109 H SER 14 H SER 14 -19.121 -6.685 3.570 110 HA SER 14 HA SER 14 -20.976 -8.174 2.272 111 1HB SER 14 2HB SER 14 -20.986 -5.162 2.535 112 2HB SER 14 1HB SER 14 -22.401 -6.151 2.178 113 HG SER 14 HG SER 14 -22.536 -6.078 4.300 114 H GLU 15 H GLU 15 -21.872 -8.359 0.271 115 HA GLU 15 HA GLU 15 -20.302 -8.027 -1.984 116 1HB GLU 15 2HB GLU 15 -22.336 -8.502 -3.281 117 2HB GLU 15 1HB GLU 15 -22.154 -9.593 -1.915 118 1HG GLU 15 2HG GLU 15 -23.774 -8.267 -0.646 119 2HG GLU 15 1HG GLU 15 -23.967 -7.193 -2.031 120 H GLU 16 H GLU 16 -22.918 -5.966 -0.802 121 HA GLU 16 HA GLU 16 -22.949 -4.161 -2.940 122 1HB GLU 16 2HB GLU 16 -24.065 -2.611 -1.390 123 2HB GLU 16 1HB GLU 16 -24.733 -4.234 -1.281 124 1HG GLU 16 2HG GLU 16 -23.429 -4.642 0.740 125 2HG GLU 16 1HG GLU 16 -22.752 -3.018 0.631 126 H MET 17 H MET 17 -21.079 -4.136 0.070 127 HA MET 17 HA MET 17 -19.883 -1.630 -0.289 128 1HB MET 17 2HB MET 17 -18.811 -4.058 1.151 129 2HB MET 17 1HB MET 17 -18.169 -2.430 1.301 130 1HG MET 17 2HG MET 17 -20.272 -1.663 2.239 131 2HG MET 17 1HG MET 17 -20.958 -3.275 2.048 132 1HE MET 17 1HE MET 17 -17.086 -2.760 4.065 133 2HE MET 17 2HE MET 17 -18.044 -1.492 4.826 134 3HE MET 17 3HE MET 17 -17.884 -1.542 3.070 135 H GLN 18 H GLN 18 -18.657 -4.869 -1.102 136 HA GLN 18 HA GLN 18 -16.268 -3.988 -2.282 137 1HB GLN 18 2HB GLN 18 -16.285 -6.209 -3.453 138 2HB GLN 18 1HB GLN 18 -16.436 -6.282 -1.705 139 1HG GLN 18 2HG GLN 18 -18.881 -6.558 -1.977 140 2HG GLN 18 1HG GLN 18 -18.641 -6.612 -3.723 141 1HE2 GLN 18 1HE2 GLN 18 -18.740 -8.381 -0.876 142 2HE2 GLN 18 2HE2 GLN 18 -18.120 -9.874 -1.479 143 H GLN 19 H GLN 19 -19.496 -4.416 -3.626 144 HA GLN 19 HA GLN 19 -18.775 -4.025 -6.337 145 1HB GLN 19 2HB GLN 19 -20.933 -4.996 -5.683 146 2HB GLN 19 1HB GLN 19 -21.403 -3.473 -4.941 147 1HG GLN 19 2HG GLN 19 -21.329 -2.385 -7.124 148 2HG GLN 19 1HG GLN 19 -20.855 -3.910 -7.868 149 1HE2 GLN 19 1HE2 GLN 19 -23.377 -1.918 -7.393 150 2HE2 GLN 19 2HE2 GLN 19 -24.683 -3.046 -7.486 151 H ASP 20 H ASP 20 -19.864 -1.824 -3.796 152 HA ASP 20 HA ASP 20 -19.935 0.520 -5.365 153 1HB ASP 20 2HB ASP 20 -21.003 0.373 -3.151 154 2HB ASP 20 1HB ASP 20 -19.421 0.223 -2.393 155 H SER 21 H SER 21 -17.348 -1.132 -3.674 156 HA SER 21 HA SER 21 -15.452 0.950 -3.855 157 1HB SER 21 2HB SER 21 -15.111 -0.937 -2.333 158 2HB SER 21 1HB SER 21 -15.029 -2.045 -3.700 159 HG SER 21 HG SER 21 -13.149 -0.940 -4.384 160 H VAL 22 H VAL 22 -16.239 -1.779 -5.920 161 HA VAL 22 HA VAL 22 -14.244 -1.325 -7.870 162 HB VAL 22 HB VAL 22 -16.929 -2.676 -8.183 163 1HG1 VAL 22 1HG1 VAL 22 -14.682 -3.633 -9.789 164 2HG1 VAL 22 2HG1 VAL 22 -15.189 -1.988 -10.172 165 3HG1 VAL 22 3HG1 VAL 22 -16.355 -3.310 -10.246 166 1HG2 VAL 22 1HG2 VAL 22 -14.916 -4.603 -8.018 167 2HG2 VAL 22 2HG2 VAL 22 -16.142 -4.233 -6.806 168 3HG2 VAL 22 3HG2 VAL 22 -14.563 -3.451 -6.731 169 H GLU 23 H GLU 23 -17.621 -0.347 -7.585 170 HA GLU 23 HA GLU 23 -17.814 0.937 -10.077 171 1HB GLU 23 2HB GLU 23 -19.788 0.257 -8.851 172 2HB GLU 23 1HB GLU 23 -19.367 1.324 -7.518 173 1HG GLU 23 2HG GLU 23 -21.130 2.293 -8.826 174 2HG GLU 23 1HG GLU 23 -19.664 3.255 -8.986 175 H CYS 24 H CYS 24 -17.106 2.165 -6.821 176 HA CYS 24 HA CYS 24 -16.857 4.872 -7.677 177 1HB CYS 24 2HB CYS 24 -15.934 5.333 -5.492 178 2HB CYS 24 1HB CYS 24 -17.303 4.241 -5.323 179 HG CYS 24 HG CYS 24 -15.163 3.546 -3.857 180 H ALA 25 H ALA 25 -14.647 2.169 -7.527 181 HA ALA 25 HA ALA 25 -12.248 3.664 -7.790 182 1HB ALA 25 1HB ALA 25 -11.216 1.538 -8.383 183 2HB ALA 25 2HB ALA 25 -12.807 0.807 -8.596 184 3HB ALA 25 3HB ALA 25 -12.286 1.334 -6.996 185 H THR 26 H THR 26 -14.556 2.234 -10.011 186 HA THR 26 HA THR 26 -13.113 2.618 -12.376 187 HB THR 26 HB THR 26 -16.103 2.557 -11.954 188 HG1 THR 26 1HG THR 26 -14.221 0.526 -12.545 189 1HG2 THR 26 1HG2 THR 26 -15.286 1.460 -14.452 190 2HG2 THR 26 2HG2 THR 26 -14.691 3.115 -14.319 191 3HG2 THR 26 3HG2 THR 26 -16.410 2.779 -14.127 192 H GLN 27 H GLN 27 -15.507 4.631 -10.735 193 HA GLN 27 HA GLN 27 -15.639 6.715 -12.586 194 1HB GLN 27 2HB GLN 27 -15.892 6.859 -9.575 195 2HB GLN 27 1HB GLN 27 -16.412 8.109 -10.696 196 1HG GLN 27 2HG GLN 27 -18.025 6.561 -11.678 197 2HG GLN 27 1HG GLN 27 -17.504 5.308 -10.551 198 1HE2 GLN 27 1HE2 GLN 27 -19.838 7.499 -11.117 199 2HE2 GLN 27 2HE2 GLN 27 -20.394 7.779 -9.504 200 H ALA 28 H ALA 28 -13.458 6.240 -9.834 201 HA ALA 28 HA ALA 28 -12.079 8.663 -9.942 202 1HB ALA 28 1HB ALA 28 -10.310 7.539 -8.732 203 2HB ALA 28 2HB ALA 28 -10.951 5.965 -9.200 204 3HB ALA 28 3HB ALA 28 -11.878 7.010 -8.124 205 H LEU 29 H LEU 29 -11.435 5.606 -11.636 206 HA LEU 29 HA LEU 29 -9.064 6.339 -12.897 207 1HB LEU 29 2HB LEU 29 -11.239 4.419 -13.655 208 2HB LEU 29 1HB LEU 29 -9.819 4.640 -14.660 209 HG LEU 29 HG LEU 29 -9.656 3.879 -11.755 210 1HD1 LEU 29 1HD1 LEU 29 -10.010 2.190 -14.197 211 2HD1 LEU 29 2HD1 LEU 29 -10.756 2.028 -12.608 212 3HD1 LEU 29 3HD1 LEU 29 -9.063 1.590 -12.838 213 1HD2 LEU 29 1HD2 LEU 29 -7.598 4.742 -12.440 214 2HD2 LEU 29 2HD2 LEU 29 -7.718 4.007 -14.039 215 3HD2 LEU 29 3HD2 LEU 29 -7.415 2.998 -12.624 216 H GLU 30 H GLU 30 -12.411 6.741 -13.949 217 HA GLU 30 HA GLU 30 -11.803 7.851 -16.482 218 1HB GLU 30 2HB GLU 30 -14.297 8.135 -14.798 219 2HB GLU 30 1HB GLU 30 -14.165 8.571 -16.496 220 1HG GLU 30 2HG GLU 30 -13.834 5.807 -15.353 221 2HG GLU 30 1HG GLU 30 -15.253 6.416 -16.204 222 H LYS 31 H LYS 31 -12.108 9.222 -13.287 223 HA LYS 31 HA LYS 31 -12.249 11.938 -14.202 224 1HB LYS 31 2HB LYS 31 -11.790 10.768 -11.458 225 2HB LYS 31 1HB LYS 31 -11.962 12.488 -11.783 226 1HG LYS 31 2HG LYS 31 -14.218 12.116 -12.620 227 2HG LYS 31 1HG LYS 31 -14.047 10.384 -12.331 228 1HD LYS 31 2HD LYS 31 -13.756 10.814 -9.938 229 2HD LYS 31 1HD LYS 31 -13.923 12.546 -10.229 230 1HE LYS 31 2HE LYS 31 -16.192 12.179 -11.075 231 2HE LYS 31 1HE LYS 31 -16.021 10.449 -10.780 232 1HZ LYS 31 1HZ LYS 31 -15.519 12.218 -8.520 233 2HZ LYS 31 2HZ LYS 31 -16.283 10.709 -8.565 234 3HZ LYS 31 3HZ LYS 31 -17.125 12.098 -9.039 235 H TYR 32 H TYR 32 -9.733 9.778 -13.016 236 HA TYR 32 HA TYR 32 -7.775 11.819 -13.793 237 1HB TYR 32 2HB TYR 32 -7.627 10.096 -11.318 238 2HB TYR 32 1HB TYR 32 -6.364 11.192 -11.872 239 HD1 TYR 32 1HD TYR 32 -7.295 13.688 -12.322 240 HD2 TYR 32 2HD TYR 32 -8.987 10.858 -9.635 241 HE1 TYR 32 1HE TYR 32 -8.331 15.521 -11.051 242 HE2 TYR 32 2HE TYR 32 -10.026 12.678 -8.357 243 HH TYR 32 HH TYR 32 -10.259 15.839 -9.515 244 H ASN 33 H ASN 33 -8.335 8.387 -13.145 245 HA ASN 33 HA ASN 33 -7.511 6.509 -14.136 246 1HB ASN 33 2HB ASN 33 -7.895 7.681 -16.281 247 2HB ASN 33 1HB ASN 33 -6.298 8.412 -16.159 248 1HD2 ASN 33 1HD2 ASN 33 -4.843 7.466 -17.367 249 2HD2 ASN 33 2HD2 ASN 33 -4.782 5.787 -17.772 250 H ILE 34 H ILE 34 -6.202 7.366 -11.961 251 HA ILE 34 HA ILE 34 -3.451 6.554 -12.532 252 HB ILE 34 HB ILE 34 -4.070 8.927 -10.781 253 1HG1 ILE 34 2HG1 ILE 34 -2.831 8.833 -13.540 254 2HG1 ILE 34 1HG1 ILE 34 -4.426 9.473 -13.152 255 1HG2 ILE 34 1HG2 ILE 34 -1.414 9.023 -11.341 256 2HG2 ILE 34 2HG2 ILE 34 -1.692 7.284 -11.254 257 3HG2 ILE 34 3HG2 ILE 34 -2.109 8.314 -9.884 258 1HD1 ILE 34 1HD1 ILE 34 -3.166 11.383 -13.293 259 2HD1 ILE 34 2HD1 ILE 34 -1.736 10.622 -12.593 260 3HD1 ILE 34 3HD1 ILE 34 -3.103 11.048 -11.563 261 H GLU 35 H GLU 35 -2.503 5.395 -10.917 262 HA GLU 35 HA GLU 35 -4.022 3.855 -9.238 263 1HB GLU 35 2HB GLU 35 -1.162 4.652 -8.690 264 2HB GLU 35 1HB GLU 35 -1.977 3.198 -8.135 265 1HG GLU 35 2HG GLU 35 -0.763 2.388 -9.892 266 2HG GLU 35 1HG GLU 35 -2.300 2.746 -10.677 267 H LYS 36 H LYS 36 -2.074 6.667 -8.233 268 HA LYS 36 HA LYS 36 -2.852 6.684 -5.552 269 1HB LYS 36 2HB LYS 36 -0.964 7.985 -6.464 270 2HB LYS 36 1HB LYS 36 -2.103 9.046 -7.281 271 1HG LYS 36 2HG LYS 36 -3.059 9.489 -4.940 272 2HG LYS 36 1HG LYS 36 -1.553 8.779 -4.352 273 1HD LYS 36 2HD LYS 36 -1.233 11.138 -4.447 274 2HD LYS 36 1HD LYS 36 -0.327 10.428 -5.785 275 1HE LYS 36 2HE LYS 36 -1.514 12.415 -6.522 276 2HE LYS 36 1HE LYS 36 -2.161 10.979 -7.312 277 1HZ LYS 36 1HZ LYS 36 -4.027 10.989 -5.853 278 2HZ LYS 36 2HZ LYS 36 -3.878 12.543 -6.502 279 3HZ LYS 36 3HZ LYS 36 -3.375 12.238 -4.916 280 H ASP 37 H ASP 37 -4.135 8.627 -8.244 281 HA ASP 37 HA ASP 37 -6.071 10.051 -6.917 282 1HB ASP 37 2HB ASP 37 -6.162 8.924 -9.718 283 2HB ASP 37 1HB ASP 37 -7.268 10.148 -9.104 284 H ILE 38 H ILE 38 -6.383 6.776 -8.276 285 HA ILE 38 HA ILE 38 -9.087 6.364 -7.840 286 HB ILE 38 HB ILE 38 -6.822 4.380 -7.593 287 1HG1 ILE 38 2HG1 ILE 38 -8.781 4.923 -9.835 288 2HG1 ILE 38 1HG1 ILE 38 -7.100 5.434 -9.812 289 1HG2 ILE 38 1HG2 ILE 38 -9.797 3.965 -7.560 290 2HG2 ILE 38 2HG2 ILE 38 -8.592 3.381 -6.410 291 3HG2 ILE 38 3HG2 ILE 38 -8.672 2.691 -8.032 292 1HD1 ILE 38 1HD1 ILE 38 -8.233 2.933 -10.619 293 2HD1 ILE 38 2HD1 ILE 38 -7.049 2.685 -9.337 294 3HD1 ILE 38 3HD1 ILE 38 -6.586 3.533 -10.812 295 H ALA 39 H ALA 39 -6.387 6.036 -5.595 296 HA ALA 39 HA ALA 39 -7.849 5.003 -3.422 297 1HB ALA 39 1HB ALA 39 -5.478 6.743 -2.962 298 2HB ALA 39 2HB ALA 39 -5.266 5.230 -3.840 299 3HB ALA 39 3HB ALA 39 -5.919 5.214 -2.202 300 H ALA 40 H ALA 40 -7.261 8.286 -4.545 301 HA ALA 40 HA ALA 40 -8.100 9.661 -2.244 302 1HB ALA 40 1HB ALA 40 -8.770 11.389 -4.201 303 2HB ALA 40 2HB ALA 40 -7.671 10.327 -5.081 304 3HB ALA 40 3HB ALA 40 -7.123 11.151 -3.621 305 H HIS 41 H HIS 41 -9.927 8.758 -5.165 306 HA HIS 41 HA HIS 41 -12.401 9.797 -4.271 307 1HB HIS 41 2HB HIS 41 -11.644 7.779 -6.366 308 2HB HIS 41 1HB HIS 41 -13.329 8.167 -6.033 309 HD1 HIS 41 1HD HIS 41 -13.838 10.880 -6.228 310 HD2 HIS 41 2HD HIS 41 -10.523 9.376 -8.227 311 HE1 HIS 41 1HE HIS 41 -13.295 12.580 -7.998 312 HE2 HIS 41 2HE HIS 41 -11.427 11.537 -9.324 313 H ILE 42 H ILE 42 -11.279 6.424 -4.458 314 HA ILE 42 HA ILE 42 -13.473 5.218 -3.278 315 HB ILE 42 HB ILE 42 -10.590 4.338 -3.097 316 1HG1 ILE 42 2HG1 ILE 42 -12.732 3.670 -5.125 317 2HG1 ILE 42 1HG1 ILE 42 -11.333 4.697 -5.409 318 1HG2 ILE 42 1HG2 ILE 42 -12.985 3.223 -1.997 319 2HG2 ILE 42 2HG2 ILE 42 -11.323 2.653 -1.855 320 3HG2 ILE 42 3HG2 ILE 42 -12.322 2.131 -3.211 321 1HD1 ILE 42 1HD1 ILE 42 -10.794 2.628 -6.348 322 2HD1 ILE 42 2HD1 ILE 42 -11.412 1.738 -4.958 323 3HD1 ILE 42 3HD1 ILE 42 -9.923 2.672 -4.815 324 H LYS 43 H LYS 43 -10.460 6.257 -1.682 325 HA LYS 43 HA LYS 43 -11.141 5.460 0.905 326 1HB LYS 43 2HB LYS 43 -8.880 6.213 0.000 327 2HB LYS 43 1HB LYS 43 -9.435 7.859 0.249 328 1HG LYS 43 2HG LYS 43 -9.212 5.770 2.409 329 2HG LYS 43 1HG LYS 43 -8.006 7.009 2.071 330 1HD LYS 43 2HD LYS 43 -10.838 7.436 3.016 331 2HD LYS 43 1HD LYS 43 -9.360 7.709 3.930 332 1HE LYS 43 2HE LYS 43 -8.712 9.473 2.368 333 2HE LYS 43 1HE LYS 43 -10.187 9.202 1.444 334 1HZ LYS 43 1HZ LYS 43 -9.802 10.626 3.925 335 2HZ LYS 43 2HZ LYS 43 -11.146 9.599 3.919 336 3HZ LYS 43 3HZ LYS 43 -11.001 10.809 2.746 337 H LYS 44 H LYS 44 -11.457 8.702 -0.565 338 HA LYS 44 HA LYS 44 -12.625 9.897 1.690 339 1HB LYS 44 2HB LYS 44 -12.796 10.669 -1.223 340 2HB LYS 44 1HB LYS 44 -13.336 11.686 0.106 341 1HG LYS 44 2HG LYS 44 -11.071 11.777 0.982 342 2HG LYS 44 1HG LYS 44 -10.516 10.712 -0.310 343 1HD LYS 44 2HD LYS 44 -11.177 12.390 -1.970 344 2HD LYS 44 1HD LYS 44 -11.728 13.452 -0.673 345 1HE LYS 44 2HE LYS 44 -8.903 12.481 -1.090 346 2HE LYS 44 1HE LYS 44 -9.509 14.094 -1.464 347 1HZ LYS 44 1HZ LYS 44 -9.984 14.422 0.879 348 2HZ LYS 44 2HZ LYS 44 -8.351 14.043 0.657 349 3HZ LYS 44 3HZ LYS 44 -9.419 12.869 1.242 350 H GLU 45 H GLU 45 -14.223 8.661 -1.266 351 HA GLU 45 HA GLU 45 -16.814 9.331 -0.599 352 1HB GLU 45 2HB GLU 45 -15.800 6.923 -2.108 353 2HB GLU 45 1HB GLU 45 -17.502 7.353 -1.997 354 1HG GLU 45 2HG GLU 45 -16.979 9.532 -3.036 355 2HG GLU 45 1HG GLU 45 -15.309 9.004 -3.232 356 H PHE 46 H PHE 46 -15.054 6.366 0.292 357 HA PHE 46 HA PHE 46 -17.266 5.341 1.789 358 1HB PHE 46 2HB PHE 46 -14.375 4.505 1.640 359 2HB PHE 46 1HB PHE 46 -15.578 3.672 2.614 360 HD1 PHE 46 1HD PHE 46 -17.880 3.350 1.103 361 HD2 PHE 46 2HD PHE 46 -13.860 3.372 -0.279 362 HE1 PHE 46 1HE PHE 46 -18.549 1.999 -0.838 363 HE2 PHE 46 2HE PHE 46 -14.520 2.022 -2.230 364 HZ PHE 46 HZ PHE 46 -16.868 1.335 -2.510 365 H ASP 47 H ASP 47 -14.180 6.852 2.666 366 HA ASP 47 HA ASP 47 -14.347 6.700 5.414 367 1HB ASP 47 2HB ASP 47 -12.355 7.507 4.275 368 2HB ASP 47 1HB ASP 47 -13.222 8.927 3.702 369 H LYS 48 H LYS 48 -15.898 8.956 3.213 370 HA LYS 48 HA LYS 48 -17.016 10.527 5.363 371 1HB LYS 48 2HB LYS 48 -16.351 11.707 3.384 372 2HB LYS 48 1HB LYS 48 -17.300 10.637 2.361 373 1HG LYS 48 2HG LYS 48 -18.387 12.784 2.618 374 2HG LYS 48 1HG LYS 48 -19.351 11.500 3.349 375 1HD LYS 48 2HD LYS 48 -19.304 13.464 4.790 376 2HD LYS 48 1HD LYS 48 -18.474 12.107 5.556 377 1HE LYS 48 2HE LYS 48 -17.228 14.182 5.855 378 2HE LYS 48 1HE LYS 48 -16.320 13.029 4.878 379 1HZ LYS 48 1HZ LYS 48 -17.911 14.675 3.215 380 2HZ LYS 48 2HZ LYS 48 -16.231 14.486 3.231 381 3HZ LYS 48 3HZ LYS 48 -16.959 15.639 4.228 382 H LYS 49 H LYS 49 -18.142 8.232 2.936 383 HA LYS 49 HA LYS 49 -20.889 8.428 3.674 384 1HB LYS 49 2HB LYS 49 -20.229 7.806 1.420 385 2HB LYS 49 1HB LYS 49 -19.431 6.365 2.033 386 1HG LYS 49 2HG LYS 49 -21.584 5.831 1.046 387 2HG LYS 49 1HG LYS 49 -21.575 5.481 2.776 388 1HD LYS 49 2HD LYS 49 -22.728 7.601 3.204 389 2HD LYS 49 1HD LYS 49 -22.745 7.939 1.471 390 1HE LYS 49 2HE LYS 49 -24.892 7.052 2.213 391 2HE LYS 49 1HE LYS 49 -24.101 5.944 1.092 392 1HZ LYS 49 1HZ LYS 49 -24.105 5.680 4.051 393 2HZ LYS 49 2HZ LYS 49 -23.383 4.607 2.963 394 3HZ LYS 49 3HZ LYS 49 -25.064 4.782 2.986 395 H TYR 50 H TYR 50 -18.643 5.693 3.926 396 HA TYR 50 HA TYR 50 -20.363 4.401 5.847 397 1HB TYR 50 2HB TYR 50 -17.723 3.583 4.638 398 2HB TYR 50 1HB TYR 50 -18.636 2.591 5.774 399 HD1 TYR 50 1HD TYR 50 -19.368 4.527 2.652 400 HD2 TYR 50 2HD TYR 50 -19.849 0.893 4.805 401 HE1 TYR 50 1HE TYR 50 -20.686 3.617 0.797 402 HE2 TYR 50 2HE TYR 50 -21.167 -0.036 2.948 403 HH TYR 50 HH TYR 50 -22.471 0.696 1.068 404 H ASN 51 H ASN 51 -17.690 6.509 5.975 405 HA ASN 51 HA ASN 51 -16.915 7.593 7.878 406 1HB ASN 51 2HB ASN 51 -17.743 5.162 9.483 407 2HB ASN 51 1HB ASN 51 -17.171 6.700 10.116 408 1HD2 ASN 51 1HD2 ASN 51 -19.840 4.913 9.671 409 2HD2 ASN 51 2HD2 ASN 51 -21.033 6.159 9.580 410 HA PRO 52 HA PRO 52 -12.891 5.961 7.483 411 1HB PRO 52 2HB PRO 52 -12.263 6.966 10.199 412 2HB PRO 52 1HB PRO 52 -11.516 7.370 8.652 413 1HG PRO 52 2HG PRO 52 -13.147 9.078 9.942 414 2HG PRO 52 1HG PRO 52 -13.073 8.994 8.174 415 1HD PRO 52 2HD PRO 52 -15.142 7.940 10.040 416 2HD PRO 52 1HD PRO 52 -15.329 8.613 8.410 417 H THR 53 H THR 53 -11.887 3.296 9.676 418 HA THR 53 HA THR 53 -11.132 5.519 7.905 419 HB THR 53 HB THR 53 -9.831 5.390 10.005 420 HG1 THR 53 1HG THR 53 -8.878 6.017 7.913 421 1HG2 THR 53 1HG2 THR 53 -8.205 3.124 9.296 422 2HG2 THR 53 2HG2 THR 53 -9.872 2.646 9.612 423 3HG2 THR 53 3HG2 THR 53 -8.964 3.535 10.834 424 H TRP 54 H TRP 54 -10.738 5.021 5.835 425 HA TRP 54 HA TRP 54 -10.509 2.175 5.154 426 1HB TRP 54 2HB TRP 54 -11.331 4.521 3.448 427 2HB TRP 54 1HB TRP 54 -11.212 2.855 2.887 428 HD1 TRP 54 HD TRP 54 -13.026 4.619 5.839 429 HE1 TRP 54 1HE TRP 54 -15.407 3.655 5.977 430 HE3 TRP 54 3HE TRP 54 -12.747 1.249 2.005 431 HZ2 TRP 54 2HZ TRP 54 -16.961 1.714 4.634 432 HZ3 TRP 54 3HZ TRP 54 -14.727 -0.126 1.498 433 HH2 TRP 54 HH TRP 54 -16.787 0.100 2.790 434 H HIS 55 H HIS 55 -8.812 1.356 4.140 435 HA HIS 55 HA HIS 55 -6.633 3.189 3.393 436 1HB HIS 55 2HB HIS 55 -6.320 0.245 3.956 437 2HB HIS 55 1HB HIS 55 -5.083 1.500 3.978 438 HD1 HIS 55 1HD HIS 55 -5.908 3.488 5.930 439 HD2 HIS 55 2HD HIS 55 -6.880 -0.510 6.463 440 HE1 HIS 55 1HE HIS 55 -6.335 3.228 8.391 441 HE2 HIS 55 2HE HIS 55 -6.744 0.763 8.713 442 H CYS 56 H CYS 56 -5.763 3.033 1.325 443 HA CYS 56 HA CYS 56 -6.837 0.915 -0.404 444 1HB CYS 56 2HB CYS 56 -8.263 2.884 -0.715 445 2HB CYS 56 1HB CYS 56 -6.848 3.856 -1.101 446 HG CYS 56 HG CYS 56 -7.374 1.479 -2.976 447 H ILE 57 H ILE 57 -5.655 0.443 -2.259 448 HA ILE 57 HA ILE 57 -3.082 1.724 -2.684 449 HB ILE 57 HB ILE 57 -3.283 -1.229 -2.064 450 1HG1 ILE 57 2HG1 ILE 57 -1.958 1.023 -0.537 451 2HG1 ILE 57 1HG1 ILE 57 -3.412 0.159 -0.046 452 1HG2 ILE 57 1HG2 ILE 57 -0.887 -1.299 -2.371 453 2HG2 ILE 57 2HG2 ILE 57 -0.850 0.431 -2.710 454 3HG2 ILE 57 3HG2 ILE 57 -1.651 -0.669 -3.831 455 1HD1 ILE 57 1HD1 ILE 57 -2.223 -1.799 0.417 456 2HD1 ILE 57 2HD1 ILE 57 -1.221 -0.497 1.059 457 3HD1 ILE 57 3HD1 ILE 57 -0.806 -1.254 -0.480 458 H VAL 58 H VAL 58 -2.284 1.405 -4.774 459 HA VAL 58 HA VAL 58 -3.580 -0.457 -6.564 460 HB VAL 58 HB VAL 58 -3.819 2.512 -7.087 461 1HG1 VAL 58 1HG1 VAL 58 -4.963 0.220 -8.674 462 2HG1 VAL 58 2HG1 VAL 58 -3.471 1.062 -9.089 463 3HG1 VAL 58 3HG1 VAL 58 -5.002 1.936 -9.082 464 1HG2 VAL 58 1HG2 VAL 58 -5.406 1.930 -5.407 465 2HG2 VAL 58 2HG2 VAL 58 -5.883 0.472 -6.279 466 3HG2 VAL 58 3HG2 VAL 58 -6.276 2.060 -6.935 467 H GLY 59 H GLY 59 -2.302 -0.983 -8.281 468 1HA GLY 59 2HA GLY 59 -0.335 0.649 -9.434 469 2HA GLY 59 1HA GLY 59 0.431 -0.331 -8.195 470 H ARG 60 H ARG 60 1.604 -1.739 -9.364 471 HA ARG 60 HA ARG 60 0.325 -3.927 -10.609 472 1HB ARG 60 2HB ARG 60 -0.032 -2.204 -12.375 473 2HB ARG 60 1HB ARG 60 1.712 -2.043 -12.522 474 1HG ARG 60 2HG ARG 60 1.885 -4.352 -13.256 475 2HG ARG 60 1HG ARG 60 0.146 -4.561 -13.047 476 1HD ARG 60 2HD ARG 60 0.720 -4.171 -15.386 477 2HD ARG 60 1HD ARG 60 -0.270 -2.863 -14.742 478 HE ARG 60 HE ARG 60 2.424 -2.164 -14.452 479 1HH1 ARG 60 1HH1 ARG 60 0.071 -2.667 -16.979 480 2HH1 ARG 60 2HH1 ARG 60 0.823 -1.554 -18.073 481 1HH2 ARG 60 1HH2 ARG 60 3.413 -0.700 -15.887 482 2HH2 ARG 60 2HH2 ARG 60 2.722 -0.437 -17.453 483 H ASN 61 H ASN 61 2.280 -3.542 -8.659 484 HA ASN 61 HA ASN 61 4.060 -5.497 -8.901 485 1HB ASN 61 2HB ASN 61 4.948 -4.398 -10.954 486 2HB ASN 61 1HB ASN 61 5.414 -3.010 -9.975 487 1HD2 ASN 61 1HD2 ASN 61 6.050 -6.262 -10.820 488 2HD2 ASN 61 2HD2 ASN 61 7.593 -6.404 -10.048 489 H PHE 62 H PHE 62 3.458 -5.274 -6.646 490 HA PHE 62 HA PHE 62 5.447 -3.991 -5.086 491 1HB PHE 62 2HB PHE 62 4.135 -2.255 -4.029 492 2HB PHE 62 1HB PHE 62 4.141 -2.006 -5.771 493 HD1 PHE 62 1HD PHE 62 2.110 -3.347 -2.978 494 HD2 PHE 62 2HD PHE 62 2.129 -1.877 -6.971 495 HE1 PHE 62 1HE PHE 62 -0.350 -3.315 -2.975 496 HE2 PHE 62 2HE PHE 62 -0.330 -1.840 -6.972 497 HZ PHE 62 HZ PHE 62 -1.574 -2.559 -4.973 498 H GLY 63 H GLY 63 5.568 -4.842 -3.117 499 1HA GLY 63 2HA GLY 63 3.614 -6.869 -2.365 500 2HA GLY 63 1HA GLY 63 5.164 -6.575 -1.587 501 H SER 64 H SER 64 2.153 -6.697 -0.715 502 HA SER 64 HA SER 64 2.346 -4.299 0.983 503 1HB SER 64 2HB SER 64 -0.206 -5.403 -0.204 504 2HB SER 64 1HB SER 64 -0.074 -4.003 0.856 505 HG SER 64 HG SER 64 0.876 -4.298 -1.789 506 H TYR 65 H TYR 65 1.693 -4.450 3.067 507 HA TYR 65 HA TYR 65 0.580 -6.945 4.091 508 1HB TYR 65 2HB TYR 65 3.166 -6.980 4.125 509 2HB TYR 65 1HB TYR 65 3.034 -5.759 5.384 510 HD1 TYR 65 1HD TYR 65 1.340 -9.011 4.629 511 HD2 TYR 65 2HD TYR 65 3.355 -6.604 7.499 512 HE1 TYR 65 1HE TYR 65 1.084 -10.798 6.297 513 HE2 TYR 65 2HE TYR 65 3.103 -8.384 9.176 514 HH TYR 65 HH TYR 65 1.746 -10.310 9.631 515 H VAL 66 H VAL 66 -0.967 -6.459 5.540 516 HA VAL 66 HA VAL 66 -0.772 -4.156 7.297 517 HB VAL 66 HB VAL 66 -3.042 -4.345 5.310 518 1HG1 VAL 66 1HG1 VAL 66 -2.399 -2.426 7.514 519 2HG1 VAL 66 2HG1 VAL 66 -3.898 -3.295 7.203 520 3HG1 VAL 66 3HG1 VAL 66 -3.420 -1.957 6.159 521 1HG2 VAL 66 1HG2 VAL 66 -1.106 -3.686 4.081 522 2HG2 VAL 66 2HG2 VAL 66 -0.637 -2.530 5.329 523 3HG2 VAL 66 3HG2 VAL 66 -2.079 -2.242 4.356 524 H THR 67 H THR 67 -2.787 -3.989 8.698 525 HA THR 67 HA THR 67 -3.994 -6.645 9.135 526 HB THR 67 HB THR 67 -3.226 -4.555 11.189 527 HG1 THR 67 1HG THR 67 -2.302 -7.213 10.895 528 1HG2 THR 67 1HG2 THR 67 -5.278 -5.661 11.883 529 2HG2 THR 67 2HG2 THR 67 -3.913 -6.152 12.886 530 3HG2 THR 67 3HG2 THR 67 -4.520 -7.235 11.633 531 H HIS 68 H HIS 68 -6.191 -6.674 9.849 532 HA HIS 68 HA HIS 68 -7.721 -4.260 10.051 533 1HB HIS 68 2HB HIS 68 -9.057 -4.675 7.980 534 2HB HIS 68 1HB HIS 68 -7.382 -4.226 7.655 535 HD1 HIS 68 1HD HIS 68 -9.592 -7.295 7.774 536 HD2 HIS 68 2HD HIS 68 -5.941 -6.061 6.224 537 HE1 HIS 68 1HE HIS 68 -8.789 -9.199 6.350 538 HE2 HIS 68 2HE HIS 68 -6.529 -8.477 5.511 539 H GLU 69 H GLU 69 -9.778 -4.629 10.871 540 HA GLU 69 HA GLU 69 -10.235 -7.136 12.107 541 1HB GLU 69 2HB GLU 69 -12.334 -6.228 12.859 542 2HB GLU 69 1HB GLU 69 -11.107 -4.974 12.969 543 1HG GLU 69 2HG GLU 69 -11.929 -3.954 10.934 544 2HG GLU 69 1HG GLU 69 -13.116 -5.245 10.748 545 H THR 70 H THR 70 -11.873 -8.685 11.727 546 HA THR 70 HA THR 70 -12.133 -9.567 9.119 547 HB THR 70 HB THR 70 -13.931 -11.052 9.972 548 HG1 THR 70 1HG THR 70 -14.753 -9.423 11.473 549 1HG2 THR 70 1HG2 THR 70 -12.274 -11.423 12.244 550 2HG2 THR 70 2HG2 THR 70 -11.260 -10.976 10.872 551 3HG2 THR 70 3HG2 THR 70 -12.342 -12.364 10.754 552 H LYS 71 H LYS 71 -13.844 -9.634 7.637 553 HA LYS 71 HA LYS 71 -15.606 -8.837 6.431 554 1HB LYS 71 2HB LYS 71 -16.524 -7.584 9.023 555 2HB LYS 71 1HB LYS 71 -17.489 -7.786 7.570 556 1HG LYS 71 2HG LYS 71 -16.350 -10.056 9.183 557 2HG LYS 71 1HG LYS 71 -17.988 -9.429 9.348 558 1HD LYS 71 2HD LYS 71 -18.284 -11.241 7.936 559 2HD LYS 71 1HD LYS 71 -18.162 -9.895 6.805 560 1HE LYS 71 2HE LYS 71 -16.853 -11.875 6.114 561 2HE LYS 71 1HE LYS 71 -15.860 -10.442 6.334 562 1HZ LYS 71 1HZ LYS 71 -15.024 -12.626 7.299 563 2HZ LYS 71 2HZ LYS 71 -16.197 -12.419 8.500 564 3HZ LYS 71 3HZ LYS 71 -14.975 -11.267 8.305 565 H HIS 72 H HIS 72 -13.151 -7.445 6.574 566 HA HIS 72 HA HIS 72 -14.002 -4.907 5.517 567 1HB HIS 72 2HB HIS 72 -12.218 -4.963 7.961 568 2HB HIS 72 1HB HIS 72 -12.578 -3.536 6.995 569 HD1 HIS 72 1HD HIS 72 -14.372 -6.056 9.194 570 HD2 HIS 72 2HD HIS 72 -14.808 -2.187 7.766 571 HE1 HIS 72 1HE HIS 72 -16.396 -5.134 10.366 572 HE2 HIS 72 2HE HIS 72 -16.576 -2.753 9.564 573 H PHE 73 H PHE 73 -13.009 -6.474 3.858 574 HA PHE 73 HA PHE 73 -10.423 -5.466 3.183 575 1HB PHE 73 2HB PHE 73 -9.636 -7.157 4.706 576 2HB PHE 73 1HB PHE 73 -10.682 -8.370 3.976 577 HD1 PHE 73 1HD PHE 73 -8.132 -5.923 2.763 578 HD2 PHE 73 2HD PHE 73 -9.580 -9.926 2.718 579 HE1 PHE 73 1HE PHE 73 -6.326 -6.555 1.218 580 HE2 PHE 73 2HE PHE 73 -7.775 -10.566 1.174 581 HZ PHE 73 HZ PHE 73 -6.144 -8.879 0.421 582 H ILE 74 H ILE 74 -10.012 -5.624 1.016 583 HA ILE 74 HA ILE 74 -11.367 -7.533 -0.654 584 HB ILE 74 HB ILE 74 -13.193 -5.959 -0.353 585 1HG1 ILE 74 2HG1 ILE 74 -11.910 -5.714 -3.084 586 2HG1 ILE 74 1HG1 ILE 74 -12.949 -7.030 -2.546 587 1HG2 ILE 74 1HG2 ILE 74 -12.859 -3.621 -1.358 588 2HG2 ILE 74 2HG2 ILE 74 -11.136 -3.932 -1.154 589 3HG2 ILE 74 3HG2 ILE 74 -12.205 -3.937 0.248 590 1HD1 ILE 74 1HD1 ILE 74 -14.388 -5.725 -3.775 591 2HD1 ILE 74 2HD1 ILE 74 -13.658 -4.217 -3.224 592 3HD1 ILE 74 3HD1 ILE 74 -14.680 -5.152 -2.134 593 H TYR 75 H TYR 75 -10.381 -7.818 -2.554 594 HA TYR 75 HA TYR 75 -8.463 -5.837 -3.534 595 1HB TYR 75 2HB TYR 75 -7.117 -7.322 -2.155 596 2HB TYR 75 1HB TYR 75 -7.800 -8.735 -2.951 597 HD1 TYR 75 1HD TYR 75 -6.122 -5.556 -4.013 598 HD2 TYR 75 2HD TYR 75 -6.385 -9.782 -4.419 599 HE1 TYR 75 1HE TYR 75 -4.292 -5.506 -5.656 600 HE2 TYR 75 2HE TYR 75 -4.557 -9.744 -6.062 601 HH TYR 75 HH TYR 75 -2.613 -8.230 -6.619 602 H PHE 76 H PHE 76 -8.350 -5.768 -5.758 603 HA PHE 76 HA PHE 76 -9.175 -7.953 -7.403 604 1HB PHE 76 2HB PHE 76 -11.177 -6.867 -8.372 605 2HB PHE 76 1HB PHE 76 -11.383 -7.265 -6.671 606 HD1 PHE 76 1HD PHE 76 -10.346 -4.430 -8.861 607 HD2 PHE 76 2HD PHE 76 -12.229 -5.667 -5.252 608 HE1 PHE 76 1HE PHE 76 -10.979 -2.099 -8.395 609 HE2 PHE 76 2HE PHE 76 -12.868 -3.338 -4.783 610 HZ PHE 76 HZ PHE 76 -12.242 -1.552 -6.356 611 H TYR 77 H TYR 77 -8.519 -7.743 -9.476 612 HA TYR 77 HA TYR 77 -6.809 -5.510 -10.112 613 1HB TYR 77 2HB TYR 77 -7.549 -8.013 -11.639 614 2HB TYR 77 1HB TYR 77 -6.436 -6.795 -12.252 615 HD1 TYR 77 1HD TYR 77 -4.502 -6.170 -10.500 616 HD2 TYR 77 2HD TYR 77 -6.624 -9.855 -10.607 617 HE1 TYR 77 1HE TYR 77 -2.643 -7.268 -9.322 618 HE2 TYR 77 2HE TYR 77 -4.770 -10.963 -9.430 619 HH TYR 77 HH TYR 77 -1.723 -9.528 -9.041 620 H LEU 78 H LEU 78 -7.083 -4.040 -11.805 621 HA LEU 78 HA LEU 78 -9.293 -4.081 -13.577 622 1HB LEU 78 2HB LEU 78 -10.533 -3.527 -11.552 623 2HB LEU 78 1HB LEU 78 -9.468 -2.169 -11.252 624 HG LEU 78 HG LEU 78 -10.284 -1.045 -13.257 625 1HD1 LEU 78 1HD1 LEU 78 -12.576 -2.424 -13.981 626 2HD1 LEU 78 2HD1 LEU 78 -11.344 -3.679 -13.835 627 3HD1 LEU 78 3HD1 LEU 78 -11.080 -2.304 -14.909 628 1HD2 LEU 78 1HD2 LEU 78 -12.879 -1.247 -12.429 629 2HD2 LEU 78 2HD2 LEU 78 -11.652 -0.220 -11.687 630 3HD2 LEU 78 3HD2 LEU 78 -11.996 -1.813 -11.012 631 H GLY 79 H GLY 79 -9.123 -2.553 -15.188 632 1HA GLY 79 2HA GLY 79 -8.056 -1.052 -16.556 633 2HA GLY 79 1HA GLY 79 -7.725 -0.145 -15.087 634 H GLN 80 H GLN 80 -6.589 -3.369 -15.986 635 HA GLN 80 HA GLN 80 -4.497 -4.248 -16.121 636 1HB GLN 80 2HB GLN 80 -3.841 -1.517 -17.241 637 2HB GLN 80 1HB GLN 80 -2.841 -2.954 -17.401 638 1HG GLN 80 2HG GLN 80 -4.595 -4.045 -18.690 639 2HG GLN 80 1HG GLN 80 -5.617 -2.619 -18.514 640 1HE2 GLN 80 1HE2 GLN 80 -5.650 -1.384 -20.234 641 2HE2 GLN 80 2HE2 GLN 80 -4.355 -1.145 -21.352 642 H VAL 81 H VAL 81 -5.251 -3.020 -13.642 643 HA VAL 81 HA VAL 81 -2.642 -2.823 -12.435 644 HB VAL 81 HB VAL 81 -3.043 -0.653 -11.328 645 1HG1 VAL 81 1HG1 VAL 81 -1.732 -0.868 -13.459 646 2HG1 VAL 81 2HG1 VAL 81 -2.399 0.734 -13.149 647 3HG1 VAL 81 3HG1 VAL 81 -3.175 -0.333 -14.319 648 1HG2 VAL 81 1HG2 VAL 81 -4.792 0.832 -12.055 649 2HG2 VAL 81 2HG2 VAL 81 -5.515 -0.693 -11.540 650 3HG2 VAL 81 3HG2 VAL 81 -5.337 -0.336 -13.259 651 H ALA 82 H ALA 82 -2.668 -3.479 -10.350 652 HA ALA 82 HA ALA 82 -5.017 -4.715 -9.335 653 1HB ALA 82 1HB ALA 82 -3.684 -5.555 -7.639 654 2HB ALA 82 2HB ALA 82 -2.617 -4.151 -7.642 655 3HB ALA 82 3HB ALA 82 -2.530 -5.326 -8.955 656 H ILE 83 H ILE 83 -6.309 -4.178 -7.598 657 HA ILE 83 HA ILE 83 -5.944 -1.501 -6.436 658 HB ILE 83 HB ILE 83 -8.575 -2.617 -7.422 659 1HG1 ILE 83 2HG1 ILE 83 -6.900 -0.300 -8.420 660 2HG1 ILE 83 1HG1 ILE 83 -7.138 -1.836 -9.249 661 1HG2 ILE 83 1HG2 ILE 83 -7.925 -0.532 -5.514 662 2HG2 ILE 83 2HG2 ILE 83 -9.479 -1.276 -5.888 663 3HG2 ILE 83 3HG2 ILE 83 -8.892 0.077 -6.857 664 1HD1 ILE 83 1HD1 ILE 83 -9.266 0.206 -8.656 665 2HD1 ILE 83 2HD1 ILE 83 -9.520 -1.340 -9.467 666 3HD1 ILE 83 3HD1 ILE 83 -8.516 -0.103 -10.222 667 H LEU 84 H LEU 84 -6.383 -1.341 -4.288 668 HA LEU 84 HA LEU 84 -7.591 -3.667 -2.958 669 1HB LEU 84 2HB LEU 84 -5.164 -3.836 -2.746 670 2HB LEU 84 1HB LEU 84 -5.095 -2.215 -2.081 671 HG LEU 84 HG LEU 84 -6.411 -2.984 -0.131 672 1HD1 LEU 84 1HD1 LEU 84 -7.071 -5.124 -1.736 673 2HD1 LEU 84 2HD1 LEU 84 -7.382 -4.985 -0.006 674 3HD1 LEU 84 3HD1 LEU 84 -5.936 -5.815 -0.579 675 1HD2 LEU 84 1HD2 LEU 84 -3.945 -4.650 -0.601 676 2HD2 LEU 84 2HD2 LEU 84 -4.615 -4.151 0.952 677 3HD2 LEU 84 3HD2 LEU 84 -3.927 -2.948 -0.140 678 H LEU 85 H LEU 85 -8.758 -3.255 -1.100 679 HA LEU 85 HA LEU 85 -8.904 -0.573 -0.022 680 1HB LEU 85 2HB LEU 85 -10.450 -0.447 -1.914 681 2HB LEU 85 1HB LEU 85 -11.305 -1.861 -1.324 682 HG LEU 85 HG LEU 85 -11.924 -0.583 0.719 683 1HD1 LEU 85 1HD1 LEU 85 -11.701 2.027 0.126 684 2HD1 LEU 85 2HD1 LEU 85 -10.206 1.420 -0.584 685 3HD1 LEU 85 3HD1 LEU 85 -10.544 1.148 1.124 686 1HD2 LEU 85 1HD2 LEU 85 -13.484 -0.758 -1.129 687 2HD2 LEU 85 2HD2 LEU 85 -12.746 0.640 -1.911 688 3HD2 LEU 85 3HD2 LEU 85 -13.599 0.834 -0.381 689 H PHE 86 H PHE 86 -9.665 -0.520 2.063 690 HA PHE 86 HA PHE 86 -11.250 -2.453 3.313 691 1HB PHE 86 2HB PHE 86 -9.616 -3.715 4.615 692 2HB PHE 86 1HB PHE 86 -9.337 -3.959 2.895 693 HD1 PHE 86 1HD PHE 86 -7.591 -2.268 1.832 694 HD2 PHE 86 2HD PHE 86 -7.815 -3.289 5.956 695 HE1 PHE 86 1HE PHE 86 -5.247 -1.584 2.124 696 HE2 PHE 86 2HE PHE 86 -5.473 -2.607 6.254 697 HZ PHE 86 HZ PHE 86 -4.184 -1.754 4.338 698 H LYS 87 H LYS 87 -11.983 -1.580 5.173 699 HA LYS 87 HA LYS 87 -10.468 0.687 6.256 700 1HB LYS 87 2HB LYS 87 -12.512 1.511 7.204 701 2HB LYS 87 1HB LYS 87 -12.793 1.136 5.514 702 1HG LYS 87 2HG LYS 87 -14.028 -0.799 6.039 703 2HG LYS 87 1HG LYS 87 -13.484 -0.776 7.719 704 1HD LYS 87 2HD LYS 87 -14.725 1.265 8.121 705 2HD LYS 87 1HD LYS 87 -15.219 1.327 6.431 706 1HE LYS 87 2HE LYS 87 -16.384 -0.837 6.739 707 2HE LYS 87 1HE LYS 87 -15.965 -0.781 8.451 708 1HZ LYS 87 1HZ LYS 87 -17.749 1.055 6.962 709 2HZ LYS 87 2HZ LYS 87 -17.166 1.406 8.511 710 3HZ LYS 87 3HZ LYS 87 -18.145 0.049 8.264 711 H SER 88 H SER 88 -10.844 1.057 8.659 712 HA SER 88 HA SER 88 -10.386 0.393 10.789 713 1HB SER 88 2HB SER 88 -12.626 -0.566 10.667 714 2HB SER 88 1HB SER 88 -11.972 -2.040 9.950 715 HG SER 88 HG SER 88 -10.802 -2.365 11.891 716 H GLY 89 H GLY 89 -8.460 -0.126 8.785 717 1HA GLY 89 2HA GLY 89 -7.327 -2.689 8.907 718 2HA GLY 89 1HA GLY 89 -6.455 -1.213 8.520 719 1H MET 1 1HT MET 1 28.907 -3.249 3.458 720 2H MET 1 2HT MET 1 27.624 -4.280 2.975 721 3H MET 1 3HT MET 1 29.108 -4.949 3.516 722 HA MET 1 HA MET 1 27.518 -5.154 5.216 723 1HB MET 1 2HB MET 1 29.497 -2.924 5.732 724 2HB MET 1 1HB MET 1 28.713 -3.890 6.975 725 1HG MET 1 2HG MET 1 29.803 -5.895 6.104 726 2HG MET 1 1HG MET 1 30.591 -4.925 4.862 727 1HE MET 1 1HE MET 1 32.163 -6.866 6.846 728 2HE MET 1 2HE MET 1 33.546 -5.856 7.268 729 3HE MET 1 3HE MET 1 32.956 -5.895 5.606 730 H CYS 2 H CYS 2 25.706 -4.455 6.202 731 HA CYS 2 HA CYS 2 24.243 -2.308 5.169 732 1HB CYS 2 2HB CYS 2 22.698 -2.690 7.053 733 2HB CYS 2 1HB CYS 2 23.171 -4.200 6.279 734 HG CYS 2 HG CYS 2 24.978 -4.171 8.456 735 H ASP 3 H ASP 3 23.985 -0.215 5.751 736 HA ASP 3 HA ASP 3 24.983 0.806 8.253 737 1HB ASP 3 2HB ASP 3 26.295 1.651 5.660 738 2HB ASP 3 1HB ASP 3 26.552 2.420 7.222 739 H ARG 4 H ARG 4 22.425 0.773 7.270 740 HA ARG 4 HA ARG 4 20.607 2.081 6.896 741 1HB ARG 4 2HB ARG 4 22.543 4.152 7.918 742 2HB ARG 4 1HB ARG 4 20.873 4.535 7.531 743 1HG ARG 4 2HG ARG 4 21.129 4.152 9.903 744 2HG ARG 4 1HG ARG 4 20.116 2.899 9.185 745 1HD ARG 4 2HD ARG 4 21.711 1.970 10.793 746 2HD ARG 4 1HD ARG 4 21.995 1.360 9.165 747 HE ARG 4 HE ARG 4 23.626 3.592 9.538 748 1HH1 ARG 4 1HH1 ARG 4 23.275 0.360 10.807 749 2HH1 ARG 4 2HH1 ARG 4 24.955 0.196 11.191 750 1HH2 ARG 4 1HH2 ARG 4 25.836 3.377 10.043 751 2HH2 ARG 4 2HH2 ARG 4 26.408 1.908 10.759 752 H LYS 5 H LYS 5 21.978 1.431 4.621 753 HA LYS 5 HA LYS 5 22.727 3.554 2.959 754 1HB LYS 5 2HB LYS 5 23.227 1.229 2.413 755 2HB LYS 5 1HB LYS 5 21.513 0.883 2.227 756 1HG LYS 5 2HG LYS 5 22.643 1.141 0.075 757 2HG LYS 5 1HG LYS 5 21.387 2.359 0.313 758 1HD LYS 5 2HD LYS 5 23.088 3.987 0.971 759 2HD LYS 5 1HD LYS 5 24.346 2.769 0.745 760 1HE LYS 5 2HE LYS 5 23.756 2.606 -1.626 761 2HE LYS 5 1HE LYS 5 22.502 3.823 -1.397 762 1HZ LYS 5 1HZ LYS 5 24.142 5.194 -2.058 763 2HZ LYS 5 2HZ LYS 5 25.382 4.142 -1.592 764 3HZ LYS 5 3HZ LYS 5 24.618 5.112 -0.436 765 H ALA 6 H ALA 6 19.596 2.110 3.620 766 HA ALA 6 HA ALA 6 17.998 3.144 1.666 767 1HB ALA 6 1HB ALA 6 16.161 2.897 3.146 768 2HB ALA 6 2HB ALA 6 17.189 3.105 4.564 769 3HB ALA 6 3HB ALA 6 17.328 1.649 3.581 770 H VAL 7 H VAL 7 17.303 5.110 1.039 771 HA VAL 7 HA VAL 7 18.139 7.414 2.605 772 HB VAL 7 HB VAL 7 17.495 8.714 0.621 773 1HG1 VAL 7 1HG1 VAL 7 19.524 8.408 -0.333 774 2HG1 VAL 7 2HG1 VAL 7 19.293 6.667 -0.505 775 3HG1 VAL 7 3HG1 VAL 7 19.763 7.344 1.054 776 1HG2 VAL 7 1HG2 VAL 7 17.139 6.075 -0.773 777 2HG2 VAL 7 2HG2 VAL 7 16.869 7.688 -1.432 778 3HG2 VAL 7 3HG2 VAL 7 15.794 7.056 -0.187 779 H ILE 8 H ILE 8 16.780 8.826 3.523 780 HA ILE 8 HA ILE 8 13.997 8.041 3.766 781 HB ILE 8 HB ILE 8 15.586 10.208 5.145 782 1HG1 ILE 8 2HG1 ILE 8 15.231 8.772 7.142 783 2HG1 ILE 8 1HG1 ILE 8 14.444 7.577 6.116 784 1HG2 ILE 8 1HG2 ILE 8 13.610 10.464 6.619 785 2HG2 ILE 8 2HG2 ILE 8 12.700 9.423 5.522 786 3HG2 ILE 8 3HG2 ILE 8 13.311 10.977 4.958 787 1HD1 ILE 8 1HD1 ILE 8 16.875 7.189 6.743 788 2HD1 ILE 8 2HD1 ILE 8 17.252 8.483 5.606 789 3HD1 ILE 8 3HD1 ILE 8 16.439 7.024 5.043 790 H LYS 9 H LYS 9 12.267 9.105 2.970 791 HA LYS 9 HA LYS 9 12.801 11.501 1.340 792 1HB LYS 9 2HB LYS 9 10.723 9.350 0.888 793 2HB LYS 9 1HB LYS 9 10.919 10.797 -0.092 794 1HG LYS 9 2HG LYS 9 12.936 8.585 0.230 795 2HG LYS 9 1HG LYS 9 11.919 8.879 -1.182 796 1HD LYS 9 2HD LYS 9 13.000 11.041 -1.520 797 2HD LYS 9 1HD LYS 9 13.993 10.779 -0.087 798 1HE LYS 9 2HE LYS 9 15.003 8.819 -1.150 799 2HE LYS 9 1HE LYS 9 14.011 9.083 -2.582 800 1HZ LYS 9 1HZ LYS 9 15.174 11.461 -2.343 801 2HZ LYS 9 2HZ LYS 9 15.827 10.198 -3.260 802 3HZ LYS 9 3HZ LYS 9 16.393 10.484 -1.692 803 H ASN 10 H ASN 10 10.247 9.823 3.180 804 HA ASN 10 HA ASN 10 8.914 12.394 3.614 805 1HB ASN 10 2HB ASN 10 8.020 9.568 4.220 806 2HB ASN 10 1HB ASN 10 7.070 11.011 4.563 807 1HD2 ASN 10 1HD2 ASN 10 5.576 11.410 3.120 808 2HD2 ASN 10 2HD2 ASN 10 5.653 11.040 1.435 809 H ALA 11 H ALA 11 9.133 9.604 5.783 810 HA ALA 11 HA ALA 11 9.672 9.406 7.978 811 1HB ALA 11 1HB ALA 11 11.894 9.707 7.678 812 2HB ALA 11 2HB ALA 11 11.577 11.145 8.649 813 3HB ALA 11 3HB ALA 11 11.691 11.274 6.893 814 H ASP 12 H ASP 12 8.703 9.999 9.799 815 HA ASP 12 HA ASP 12 8.497 12.575 10.815 816 1HB ASP 12 2HB ASP 12 6.119 13.093 10.487 817 2HB ASP 12 1HB ASP 12 6.990 13.047 8.958 818 H MET 13 H MET 13 9.271 10.860 12.313 819 HA MET 13 HA MET 13 7.306 10.398 14.301 820 1HB MET 13 2HB MET 13 7.451 7.913 14.310 821 2HB MET 13 1HB MET 13 6.627 8.558 12.899 822 1HG MET 13 2HG MET 13 8.789 8.337 11.652 823 2HG MET 13 1HG MET 13 9.421 7.469 13.051 824 1HE MET 13 1HE MET 13 7.739 4.275 13.288 825 2HE MET 13 2HE MET 13 6.405 5.382 13.609 826 3HE MET 13 3HE MET 13 8.025 5.760 14.195 827 H SER 14 H SER 14 8.346 8.769 16.017 828 HA SER 14 HA SER 14 10.585 9.993 17.063 829 1HB SER 14 2HB SER 14 10.838 7.976 18.493 830 2HB SER 14 1HB SER 14 9.174 8.549 18.413 831 HG SER 14 HG SER 14 9.103 6.370 18.104 832 H GLU 15 H GLU 15 12.743 9.792 16.883 833 HA GLU 15 HA GLU 15 13.927 8.866 14.563 834 1HB GLU 15 2HB GLU 15 15.209 9.241 17.270 835 2HB GLU 15 1HB GLU 15 16.074 9.114 15.745 836 1HG GLU 15 2HG GLU 15 14.983 11.152 14.955 837 2HG GLU 15 1HG GLU 15 14.120 11.280 16.487 838 H GLU 16 H GLU 16 13.589 7.200 17.656 839 HA GLU 16 HA GLU 16 15.222 5.012 17.051 840 1HB GLU 16 2HB GLU 16 14.009 3.830 18.839 841 2HB GLU 16 1HB GLU 16 14.473 5.456 19.320 842 1HG GLU 16 2HG GLU 16 12.199 6.235 18.872 843 2HG GLU 16 1HG GLU 16 11.736 4.599 18.404 844 H MET 17 H MET 17 11.721 5.432 16.565 845 HA MET 17 HA MET 17 11.275 2.854 15.545 846 1HB MET 17 2HB MET 17 9.770 5.428 15.074 847 2HB MET 17 1HB MET 17 9.203 3.850 14.547 848 1HG MET 17 2HG MET 17 9.122 3.087 16.850 849 2HG MET 17 1HG MET 17 9.744 4.641 17.400 850 1HE MET 17 1HE MET 17 6.446 3.451 18.420 851 2HE MET 17 2HE MET 17 6.439 5.162 18.848 852 3HE MET 17 3HE MET 17 7.923 4.220 18.998 853 H GLN 18 H GLN 18 11.854 5.922 13.847 854 HA GLN 18 HA GLN 18 11.793 4.786 11.264 855 1HB GLN 18 2HB GLN 18 12.925 6.876 10.551 856 2HB GLN 18 1HB GLN 18 11.496 7.159 11.535 857 1HG GLN 18 2HG GLN 18 12.959 7.496 13.493 858 2HG GLN 18 1HG GLN 18 14.360 7.320 12.435 859 1HE2 GLN 18 1HE2 GLN 18 12.215 9.457 13.800 860 2HE2 GLN 18 2HE2 GLN 18 12.528 10.829 12.808 861 H GLN 19 H GLN 19 14.384 5.284 13.591 862 HA GLN 19 HA GLN 19 16.475 4.552 11.805 863 1HB GLN 19 2HB GLN 19 16.297 4.809 14.798 864 2HB GLN 19 1HB GLN 19 17.764 4.243 14.007 865 1HG GLN 19 2HG GLN 19 17.906 6.328 12.761 866 2HG GLN 19 1HG GLN 19 16.417 6.891 13.517 867 1HE2 GLN 19 1HE2 GLN 19 19.649 7.186 13.604 868 2HE2 GLN 19 2HE2 GLN 19 19.875 7.635 15.257 869 H ASP 20 H ASP 20 14.539 2.780 14.170 870 HA ASP 20 HA ASP 20 16.007 0.347 13.880 871 1HB ASP 20 2HB ASP 20 13.250 0.899 14.996 872 2HB ASP 20 1HB ASP 20 14.015 -0.687 15.022 873 H SER 21 H SER 21 13.198 1.749 12.317 874 HA SER 21 HA SER 21 12.423 -0.598 10.926 875 1HB SER 21 2HB SER 21 11.097 0.930 9.508 876 2HB SER 21 1HB SER 21 10.880 1.291 11.220 877 HG SER 21 HG SER 21 12.453 2.690 9.326 878 H VAL 22 H VAL 22 14.537 2.123 10.140 879 HA VAL 22 HA VAL 22 15.060 1.377 7.472 880 HB VAL 22 HB VAL 22 16.789 2.960 9.380 881 1HG1 VAL 22 1HG1 VAL 22 18.323 3.140 7.788 882 2HG1 VAL 22 2HG1 VAL 22 17.112 3.677 6.624 883 3HG1 VAL 22 3HG1 VAL 22 17.430 1.956 6.834 884 1HG2 VAL 22 1HG2 VAL 22 15.582 4.801 8.906 885 2HG2 VAL 22 2HG2 VAL 22 14.316 3.633 8.530 886 3HG2 VAL 22 3HG2 VAL 22 15.299 4.314 7.234 887 H GLU 23 H GLU 23 16.822 0.751 10.479 888 HA GLU 23 HA GLU 23 18.857 -0.805 9.252 889 1HB GLU 23 2HB GLU 23 17.918 -0.747 12.128 890 2HB GLU 23 1HB GLU 23 19.392 -1.525 11.563 891 1HG GLU 23 2HG GLU 23 20.256 0.637 10.831 892 2HG GLU 23 1HG GLU 23 18.778 1.418 11.392 893 H CYS 24 H CYS 24 15.833 -1.559 10.888 894 HA CYS 24 HA CYS 24 16.095 -4.373 10.794 895 1HB CYS 24 2HB CYS 24 14.529 -3.196 12.302 896 2HB CYS 24 1HB CYS 24 13.571 -2.708 10.909 897 HG CYS 24 HG CYS 24 12.330 -4.771 11.341 898 H ALA 25 H ALA 25 14.880 -2.001 8.511 899 HA ALA 25 HA ALA 25 13.598 -3.854 6.778 900 1HB ALA 25 1HB ALA 25 13.476 -2.029 5.203 901 2HB ALA 25 2HB ALA 25 14.681 -1.117 6.113 902 3HB ALA 25 3HB ALA 25 13.093 -1.426 6.817 903 H THR 26 H THR 26 16.807 -2.432 6.987 904 HA THR 26 HA THR 26 17.807 -3.371 4.559 905 HB THR 26 HB THR 26 19.287 -2.848 7.140 906 HG1 THR 26 1HG THR 26 18.392 -0.962 6.535 907 1HG2 THR 26 1HG2 THR 26 20.248 -3.459 4.405 908 2HG2 THR 26 2HG2 THR 26 20.952 -3.857 5.973 909 3HG2 THR 26 3HG2 THR 26 21.097 -2.221 5.331 910 H GLN 27 H GLN 27 17.863 -4.788 7.791 911 HA GLN 27 HA GLN 27 19.309 -7.108 7.148 912 1HB GLN 27 2HB GLN 27 17.175 -6.731 9.260 913 2HB GLN 27 1HB GLN 27 18.321 -8.062 9.197 914 1HG GLN 27 2HG GLN 27 20.167 -6.489 9.486 915 2HG GLN 27 1HG GLN 27 19.016 -5.154 9.552 916 1HE2 GLN 27 1HE2 GLN 27 18.626 -4.477 11.522 917 2HE2 GLN 27 2HE2 GLN 27 18.616 -5.442 12.955 918 H ALA 28 H ALA 28 15.873 -6.347 7.012 919 HA ALA 28 HA ALA 28 14.843 -8.874 6.482 920 1HB ALA 28 1HB ALA 28 12.886 -7.810 6.105 921 2HB ALA 28 2HB ALA 28 13.615 -6.633 5.013 922 3HB ALA 28 3HB ALA 28 13.762 -6.426 6.757 923 H LEU 29 H LEU 29 16.083 -6.432 4.210 924 HA LEU 29 HA LEU 29 15.505 -7.887 1.877 925 1HB LEU 29 2HB LEU 29 17.490 -5.720 2.481 926 2HB LEU 29 1HB LEU 29 17.371 -6.439 0.885 927 HG LEU 29 HG LEU 29 15.014 -5.189 2.269 928 1HD1 LEU 29 1HD1 LEU 29 17.231 -3.768 1.581 929 2HD1 LEU 29 2HD1 LEU 29 15.589 -3.121 1.596 930 3HD1 LEU 29 3HD1 LEU 29 16.295 -3.701 0.088 931 1HD2 LEU 29 1HD2 LEU 29 14.084 -5.113 0.033 932 2HD2 LEU 29 2HD2 LEU 29 14.555 -6.763 0.438 933 3HD2 LEU 29 3HD2 LEU 29 15.570 -5.794 -0.631 934 H GLU 30 H GLU 30 18.465 -7.675 3.796 935 HA GLU 30 HA GLU 30 19.977 -9.422 2.161 936 1HB GLU 30 2HB GLU 30 20.344 -8.707 5.075 937 2HB GLU 30 1HB GLU 30 21.539 -9.511 4.068 938 1HG GLU 30 2HG GLU 30 21.651 -7.549 2.623 939 2HG GLU 30 1HG GLU 30 20.447 -6.741 3.627 940 H LYS 31 H LYS 31 17.760 -9.956 4.815 941 HA LYS 31 HA LYS 31 18.557 -12.721 5.108 942 1HB LYS 31 2HB LYS 31 16.399 -11.099 6.450 943 2HB LYS 31 1HB LYS 31 16.736 -12.786 6.816 944 1HG LYS 31 2HG LYS 31 18.977 -12.201 7.549 945 2HG LYS 31 1HG LYS 31 18.683 -10.511 7.139 946 1HD LYS 31 2HD LYS 31 18.410 -10.885 9.533 947 2HD LYS 31 1HD LYS 31 16.877 -10.426 8.790 948 1HE LYS 31 2HE LYS 31 16.205 -12.777 8.730 949 2HE LYS 31 1HE LYS 31 17.740 -13.237 9.466 950 1HZ LYS 31 1HZ LYS 31 16.622 -13.061 11.375 951 2HZ LYS 31 2HZ LYS 31 15.367 -12.159 10.690 952 3HZ LYS 31 3HZ LYS 31 16.788 -11.387 11.186 953 H TYR 32 H TYR 32 15.865 -10.911 3.712 954 HA TYR 32 HA TYR 32 14.729 -13.482 2.846 955 1HB TYR 32 2HB TYR 32 13.379 -10.817 3.266 956 2HB TYR 32 1HB TYR 32 12.589 -12.219 2.552 957 HD1 TYR 32 1HD TYR 32 13.034 -14.455 4.072 958 HD2 TYR 32 2HD TYR 32 12.872 -10.444 5.479 959 HE1 TYR 32 1HE TYR 32 12.445 -15.273 6.314 960 HE2 TYR 32 2HE TYR 32 12.284 -11.251 7.725 961 HH TYR 32 HH TYR 32 11.315 -13.204 8.786 962 H ASN 33 H ASN 33 15.403 -10.185 1.716 963 HA ASN 33 HA ASN 33 15.819 -9.364 -0.371 964 1HB ASN 33 2HB ASN 33 16.074 -12.272 -1.186 965 2HB ASN 33 1HB ASN 33 16.621 -10.882 -2.118 966 1HD2 ASN 33 1HD2 ASN 33 18.700 -10.524 -2.000 967 2HD2 ASN 33 2HD2 ASN 33 19.731 -10.890 -0.662 968 H ILE 34 H ILE 34 13.161 -9.720 0.474 969 HA ILE 34 HA ILE 34 11.819 -9.745 -2.099 970 HB ILE 34 HB ILE 34 10.922 -11.571 0.133 971 1HG1 ILE 34 2HG1 ILE 34 12.017 -12.195 -2.620 972 2HG1 ILE 34 1HG1 ILE 34 12.826 -12.496 -1.085 973 1HG2 ILE 34 1HG2 ILE 34 9.579 -11.989 -2.368 974 2HG2 ILE 34 2HG2 ILE 34 9.411 -10.306 -1.866 975 3HG2 ILE 34 3HG2 ILE 34 8.901 -11.602 -0.786 976 1HD1 ILE 34 1HD1 ILE 34 11.824 -14.455 -0.872 977 2HD1 ILE 34 2HD1 ILE 34 11.201 -14.242 -2.509 978 3HD1 ILE 34 3HD1 ILE 34 10.234 -13.736 -1.124 979 H GLU 35 H GLU 35 10.368 -8.159 -2.164 980 HA GLU 35 HA GLU 35 10.033 -6.257 -0.222 981 1HB GLU 35 2HB GLU 35 8.050 -5.516 -1.481 982 2HB GLU 35 1HB GLU 35 9.405 -5.891 -2.536 983 1HG GLU 35 2HG GLU 35 8.385 -8.094 -2.998 984 2HG GLU 35 1HG GLU 35 7.000 -7.624 -2.017 985 H LYS 36 H LYS 36 7.835 -8.983 -0.869 986 HA LYS 36 HA LYS 36 5.894 -8.347 1.030 987 1HB LYS 36 2HB LYS 36 5.674 -10.070 -0.759 988 2HB LYS 36 1HB LYS 36 6.722 -11.124 0.182 989 1HG LYS 36 2HG LYS 36 5.001 -10.806 2.066 990 2HG LYS 36 1HG LYS 36 3.936 -10.210 0.790 991 1HD LYS 36 2HD LYS 36 3.488 -12.532 1.047 992 2HD LYS 36 1HD LYS 36 4.401 -12.343 -0.451 993 1HE LYS 36 2HE LYS 36 5.248 -14.237 0.797 994 2HE LYS 36 1HE LYS 36 6.459 -12.956 0.750 995 1HZ LYS 36 1HZ LYS 36 4.671 -12.883 3.028 996 2HZ LYS 36 2HZ LYS 36 6.345 -12.652 2.956 997 3HZ LYS 36 3HZ LYS 36 5.709 -14.219 2.977 998 H ASP 37 H ASP 37 8.559 -10.702 1.379 999 HA ASP 37 HA ASP 37 8.110 -11.429 4.000 1000 1HB ASP 37 2HB ASP 37 10.735 -11.196 2.526 1001 2HB ASP 37 1HB ASP 37 10.545 -11.999 4.080 1002 H ILE 38 H ILE 38 9.980 -8.670 2.811 1003 HA ILE 38 HA ILE 38 11.158 -7.793 5.145 1004 HB ILE 38 HB ILE 38 9.951 -6.098 2.951 1005 1HG1 ILE 38 2HG1 ILE 38 12.816 -6.979 3.316 1006 2HG1 ILE 38 1HG1 ILE 38 11.671 -7.805 2.272 1007 1HG2 ILE 38 1HG2 ILE 38 10.492 -4.930 5.142 1008 2HG2 ILE 38 2HG2 ILE 38 11.246 -4.282 3.689 1009 3HG2 ILE 38 3HG2 ILE 38 12.181 -5.290 4.792 1010 1HD1 ILE 38 1HD1 ILE 38 11.411 -5.313 1.333 1011 2HD1 ILE 38 2HD1 ILE 38 12.591 -6.469 0.716 1012 3HD1 ILE 38 3HD1 ILE 38 13.081 -5.253 1.896 1013 H ALA 39 H ALA 39 7.959 -6.879 3.898 1014 HA ALA 39 HA ALA 39 7.232 -5.281 6.103 1015 1HB ALA 39 1HB ALA 39 4.960 -5.399 5.156 1016 2HB ALA 39 2HB ALA 39 5.517 -6.637 4.032 1017 3HB ALA 39 3HB ALA 39 6.183 -5.007 3.948 1018 H ALA 40 H ALA 40 6.925 -8.723 5.503 1019 HA ALA 40 HA ALA 40 4.926 -9.258 7.417 1020 1HB ALA 40 1HB ALA 40 5.459 -10.831 5.661 1021 2HB ALA 40 2HB ALA 40 5.654 -11.593 7.239 1022 3HB ALA 40 3HB ALA 40 7.073 -11.068 6.332 1023 H HIS 41 H HIS 41 8.406 -9.989 7.663 1024 HA HIS 41 HA HIS 41 8.294 -10.578 10.415 1025 1HB HIS 41 2HB HIS 41 10.437 -11.222 10.143 1026 2HB HIS 41 1HB HIS 41 10.119 -10.965 8.433 1027 HD1 HIS 41 1HD HIS 41 11.653 -9.204 11.404 1028 HD2 HIS 41 2HD HIS 41 11.654 -9.026 7.252 1029 HE1 HIS 41 1HE HIS 41 13.449 -7.554 10.807 1030 HE2 HIS 41 2HE HIS 41 13.547 -7.594 8.296 1031 H ILE 42 H ILE 42 9.253 -7.614 8.692 1032 HA ILE 42 HA ILE 42 10.167 -6.210 10.937 1033 HB ILE 42 HB ILE 42 8.953 -5.132 8.390 1034 1HG1 ILE 42 2HG1 ILE 42 11.826 -5.423 9.267 1035 2HG1 ILE 42 1HG1 ILE 42 11.007 -6.466 8.110 1036 1HG2 ILE 42 1HG2 ILE 42 10.315 -3.065 9.086 1037 2HG2 ILE 42 2HG2 ILE 42 10.249 -3.751 10.710 1038 3HG2 ILE 42 3HG2 ILE 42 8.757 -3.341 9.865 1039 1HD1 ILE 42 1HD1 ILE 42 12.069 -5.043 6.695 1040 2HD1 ILE 42 2HD1 ILE 42 11.971 -3.681 7.811 1041 3HD1 ILE 42 3HD1 ILE 42 10.546 -4.178 6.900 1042 H LYS 43 H LYS 43 6.901 -6.346 9.507 1043 HA LYS 43 HA LYS 43 5.760 -4.446 11.239 1044 1HB LYS 43 2HB LYS 43 4.613 -5.088 9.213 1045 2HB LYS 43 1HB LYS 43 4.469 -6.749 9.773 1046 1HG LYS 43 2HG LYS 43 2.989 -6.053 11.559 1047 2HG LYS 43 1HG LYS 43 3.179 -4.365 11.086 1048 1HD LYS 43 2HD LYS 43 2.116 -4.807 8.956 1049 2HD LYS 43 1HD LYS 43 2.015 -6.526 9.336 1050 1HE LYS 43 2HE LYS 43 0.642 -4.306 10.846 1051 2HE LYS 43 1HE LYS 43 -0.128 -5.394 9.691 1052 1HZ LYS 43 1HZ LYS 43 0.273 -5.786 12.424 1053 2HZ LYS 43 2HZ LYS 43 1.222 -6.928 11.615 1054 3HZ LYS 43 3HZ LYS 43 -0.439 -6.845 11.314 1055 H LYS 44 H LYS 44 5.660 -8.023 11.432 1056 HA LYS 44 HA LYS 44 4.263 -8.130 13.845 1057 1HB LYS 44 2HB LYS 44 5.097 -10.435 14.051 1058 2HB LYS 44 1HB LYS 44 4.503 -10.086 12.437 1059 1HG LYS 44 2HG LYS 44 6.415 -11.239 11.961 1060 2HG LYS 44 1HG LYS 44 7.017 -9.583 11.939 1061 1HD LYS 44 2HD LYS 44 7.843 -9.839 14.220 1062 2HD LYS 44 1HD LYS 44 7.185 -11.471 14.288 1063 1HE LYS 44 2HE LYS 44 8.673 -12.143 12.469 1064 2HE LYS 44 1HE LYS 44 9.328 -10.508 12.398 1065 1HZ LYS 44 1HZ LYS 44 9.411 -11.847 14.985 1066 2HZ LYS 44 2HZ LYS 44 10.538 -10.812 14.265 1067 3HZ LYS 44 3HZ LYS 44 10.460 -12.434 13.794 1068 H GLU 45 H GLU 45 7.675 -7.648 13.237 1069 HA GLU 45 HA GLU 45 8.571 -8.139 15.878 1070 1HB GLU 45 2HB GLU 45 10.103 -8.118 13.972 1071 2HB GLU 45 1HB GLU 45 9.775 -6.412 13.706 1072 1HG GLU 45 2HG GLU 45 11.904 -6.720 14.814 1073 2HG GLU 45 1HG GLU 45 10.770 -5.876 15.866 1074 H PHE 46 H PHE 46 7.753 -5.127 14.170 1075 HA PHE 46 HA PHE 46 8.192 -3.466 16.436 1076 1HB PHE 46 2HB PHE 46 6.819 -3.026 13.795 1077 2HB PHE 46 1HB PHE 46 6.863 -1.779 15.037 1078 HD1 PHE 46 1HD PHE 46 9.359 -4.182 13.628 1079 HD2 PHE 46 2HD PHE 46 8.395 -0.150 14.578 1080 HE1 PHE 46 1HE PHE 46 11.573 -3.469 12.832 1081 HE2 PHE 46 2HE PHE 46 10.608 0.572 13.785 1082 HZ PHE 46 HZ PHE 46 12.201 -1.090 12.910 1083 H ASP 47 H ASP 47 5.335 -4.999 15.051 1084 HA ASP 47 HA ASP 47 3.393 -3.714 16.598 1085 1HB ASP 47 2HB ASP 47 3.377 -6.556 15.562 1086 2HB ASP 47 1HB ASP 47 1.966 -5.667 16.128 1087 H LYS 48 H LYS 48 5.340 -6.571 17.255 1088 HA LYS 48 HA LYS 48 4.088 -7.194 19.727 1089 1HB LYS 48 2HB LYS 48 5.210 -8.920 18.482 1090 2HB LYS 48 1HB LYS 48 6.720 -8.023 18.509 1091 1HG LYS 48 2HG LYS 48 6.773 -9.866 20.074 1092 2HG LYS 48 1HG LYS 48 6.861 -8.320 20.920 1093 1HD LYS 48 2HD LYS 48 5.354 -9.857 22.069 1094 2HD LYS 48 1HD LYS 48 4.472 -8.467 21.435 1095 1HE LYS 48 2HE LYS 48 3.248 -10.540 21.037 1096 2HE LYS 48 1HE LYS 48 3.744 -9.792 19.519 1097 1HZ LYS 48 1HZ LYS 48 5.586 -11.737 20.646 1098 2HZ LYS 48 2HZ LYS 48 5.133 -11.480 19.038 1099 3HZ LYS 48 3HZ LYS 48 4.121 -12.359 20.070 1100 H LYS 49 H LYS 49 7.034 -5.457 18.843 1101 HA LYS 49 HA LYS 49 7.786 -5.000 21.579 1102 1HB LYS 49 2HB LYS 49 8.887 -3.899 19.001 1103 2HB LYS 49 1HB LYS 49 9.603 -3.635 20.583 1104 1HG LYS 49 2HG LYS 49 9.273 -6.276 19.179 1105 2HG LYS 49 1HG LYS 49 10.779 -5.390 19.433 1106 1HD LYS 49 2HD LYS 49 10.485 -5.612 21.858 1107 2HD LYS 49 1HD LYS 49 9.004 -6.531 21.582 1108 1HE LYS 49 2HE LYS 49 11.771 -7.322 20.677 1109 2HE LYS 49 1HE LYS 49 10.902 -8.005 22.050 1110 1HZ LYS 49 1HZ LYS 49 10.040 -8.157 19.211 1111 2HZ LYS 49 2HZ LYS 49 9.208 -8.815 20.530 1112 3HZ LYS 49 3HZ LYS 49 10.728 -9.419 20.102 1113 H TYR 50 H TYR 50 7.114 -2.734 18.948 1114 HA TYR 50 HA TYR 50 6.668 -0.594 20.816 1115 1HB TYR 50 2HB TYR 50 6.473 -0.682 17.808 1116 2HB TYR 50 1HB TYR 50 6.280 0.777 18.776 1117 HD1 TYR 50 1HD TYR 50 8.727 -2.048 18.532 1118 HD2 TYR 50 2HD TYR 50 8.127 2.148 18.871 1119 HE1 TYR 50 1HE TYR 50 11.153 -1.713 18.509 1120 HE2 TYR 50 2HE TYR 50 10.561 2.500 18.842 1121 HH TYR 50 HH TYR 50 12.664 0.884 19.528 1122 H ASN 51 H ASN 51 4.660 -2.950 19.457 1123 HA ASN 51 HA ASN 51 2.438 -3.324 19.982 1124 1HB ASN 51 2HB ASN 51 2.205 -0.357 20.534 1125 2HB ASN 51 1HB ASN 51 0.953 -1.562 20.796 1126 1HD2 ASN 51 1HD2 ASN 51 0.733 -2.144 22.812 1127 2HD2 ASN 51 2HD2 ASN 51 1.982 -2.215 24.004 1128 HA PRO 52 HA PRO 52 1.140 -2.648 15.842 1129 1HB PRO 52 2HB PRO 52 -1.463 -3.445 16.042 1130 2HB PRO 52 1HB PRO 52 -0.100 -4.570 16.006 1131 1HG PRO 52 2HG PRO 52 -1.635 -3.529 18.356 1132 2HG PRO 52 1HG PRO 52 -1.087 -5.183 18.022 1133 1HD PRO 52 2HD PRO 52 0.230 -3.562 19.722 1134 2HD PRO 52 1HD PRO 52 1.078 -4.737 18.697 1135 H THR 53 H THR 53 -1.301 -0.078 15.206 1136 HA THR 53 HA THR 53 -0.128 -2.661 14.434 1137 HB THR 53 HB THR 53 -2.580 -2.615 14.335 1138 HG1 THR 53 1HG THR 53 -1.657 -3.921 12.821 1139 1HG2 THR 53 1HG2 THR 53 -2.908 -0.235 13.859 1140 2HG2 THR 53 2HG2 THR 53 -3.769 -1.281 12.731 1141 3HG2 THR 53 3HG2 THR 53 -2.274 -0.490 12.236 1142 H TRP 54 H TRP 54 1.606 -2.470 13.234 1143 HA TRP 54 HA TRP 54 2.164 -0.021 11.795 1144 1HB TRP 54 2HB TRP 54 3.826 -2.520 12.117 1145 2HB TRP 54 1HB TRP 54 4.375 -1.004 11.405 1146 HD1 TRP 54 HD TRP 54 2.764 -2.043 14.789 1147 HE1 TRP 54 1HE TRP 54 3.975 -0.762 16.655 1148 HE3 TRP 54 3HE TRP 54 6.028 0.652 11.925 1149 HZ2 TRP 54 2HZ TRP 54 6.038 1.150 16.887 1150 HZ3 TRP 54 3HZ TRP 54 7.588 2.191 13.050 1151 HH2 TRP 54 HH TRP 54 7.589 2.434 15.480 1152 H HIS 55 H HIS 55 1.633 0.288 9.769 1153 HA HIS 55 HA HIS 55 0.970 -1.985 8.063 1154 1HB HIS 55 2HB HIS 55 0.764 0.946 7.365 1155 2HB HIS 55 1HB HIS 55 -0.085 -0.405 6.621 1156 HD1 HIS 55 1HD HIS 55 -1.422 -1.790 8.861 1157 HD2 HIS 55 2HD HIS 55 -1.054 2.343 8.781 1158 HE1 HIS 55 1HE HIS 55 -3.248 -0.927 10.355 1159 HE2 HIS 55 2HE HIS 55 -3.059 1.582 10.227 1160 H CYS 56 H CYS 56 2.176 -2.542 6.237 1161 HA CYS 56 HA CYS 56 4.471 -0.822 5.615 1162 1HB CYS 56 2HB CYS 56 5.280 -2.482 7.219 1163 2HB CYS 56 1HB CYS 56 4.700 -3.780 6.180 1164 HG CYS 56 HG CYS 56 6.523 -2.978 4.409 1165 H ILE 57 H ILE 57 5.340 -1.009 3.591 1166 HA ILE 57 HA ILE 57 4.201 -2.856 1.659 1167 HB ILE 57 HB ILE 57 4.018 0.137 1.261 1168 1HG1 ILE 57 2HG1 ILE 57 1.834 -1.914 1.699 1169 2HG1 ILE 57 1HG1 ILE 57 2.330 -0.671 2.846 1170 1HG2 ILE 57 1HG2 ILE 57 3.250 -2.186 -0.497 1171 2HG2 ILE 57 2HG2 ILE 57 4.448 -0.936 -0.828 1172 3HG2 ILE 57 3HG2 ILE 57 2.733 -0.526 -0.781 1173 1HD1 ILE 57 1HD1 ILE 57 0.817 -0.390 0.292 1174 2HD1 ILE 57 2HD1 ILE 57 1.727 0.974 0.943 1175 3HD1 ILE 57 3HD1 ILE 57 0.439 0.235 1.896 1176 H VAL 58 H VAL 58 5.577 -3.183 -0.120 1177 HA VAL 58 HA VAL 58 7.914 -1.483 -0.430 1178 HB VAL 58 HB VAL 58 8.229 -4.413 0.240 1179 1HG1 VAL 58 1HG1 VAL 58 10.162 -4.255 -0.847 1180 2HG1 VAL 58 2HG1 VAL 58 10.694 -3.118 0.391 1181 3HG1 VAL 58 3HG1 VAL 58 9.953 -2.523 -1.094 1182 1HG2 VAL 58 1HG2 VAL 58 8.756 -1.920 1.836 1183 2HG2 VAL 58 2HG2 VAL 58 9.498 -3.473 2.219 1184 3HG2 VAL 58 3HG2 VAL 58 7.743 -3.299 2.265 1185 H GLY 59 H GLY 59 8.753 -1.525 -2.451 1186 1HA GLY 59 2HA GLY 59 8.637 -3.603 -4.297 1187 2HA GLY 59 1HA GLY 59 7.194 -2.627 -4.540 1188 H ARG 60 H ARG 60 7.493 -1.386 -6.273 1189 HA ARG 60 HA ARG 60 9.385 0.691 -6.321 1190 1HB ARG 60 2HB ARG 60 10.835 -0.042 -8.168 1191 2HB ARG 60 1HB ARG 60 11.018 -1.062 -6.748 1192 1HG ARG 60 2HG ARG 60 9.597 -2.759 -7.769 1193 2HG ARG 60 1HG ARG 60 9.387 -1.733 -9.190 1194 1HD ARG 60 2HD ARG 60 11.799 -1.822 -9.606 1195 2HD ARG 60 1HD ARG 60 12.005 -2.850 -8.188 1196 HE ARG 60 HE ARG 60 10.142 -4.060 -9.884 1197 1HH1 ARG 60 1HH1 ARG 60 13.540 -3.263 -9.826 1198 2HH1 ARG 60 2HH1 ARG 60 13.995 -4.581 -10.854 1199 1HH2 ARG 60 1HH2 ARG 60 10.738 -5.794 -11.236 1200 2HH2 ARG 60 2HH2 ARG 60 12.404 -6.017 -11.656 1201 H ASN 61 H ASN 61 6.634 0.396 -6.769 1202 HA ASN 61 HA ASN 61 6.036 2.105 -8.770 1203 1HB ASN 61 2HB ASN 61 6.995 0.535 -10.405 1204 2HB ASN 61 1HB ASN 61 5.901 -0.724 -9.853 1205 1HD2 ASN 61 1HD2 ASN 61 4.449 2.356 -9.892 1206 2HD2 ASN 61 2HD2 ASN 61 3.609 2.191 -11.388 1207 H PHE 62 H PHE 62 4.583 2.474 -6.967 1208 HA PHE 62 HA PHE 62 2.035 1.198 -7.361 1209 1HB PHE 62 2HB PHE 62 1.797 0.243 -5.157 1210 2HB PHE 62 1HB PHE 62 3.224 -0.432 -5.932 1211 HD1 PHE 62 1HD PHE 62 5.429 1.066 -5.452 1212 HD2 PHE 62 2HD PHE 62 2.014 0.751 -2.938 1213 HE1 PHE 62 1HE PHE 62 6.797 1.732 -3.521 1214 HE2 PHE 62 2HE PHE 62 3.375 1.417 -0.999 1215 HZ PHE 62 HZ PHE 62 5.771 1.908 -1.290 1216 H GLY 63 H GLY 63 0.429 2.499 -6.886 1217 1HA GLY 63 2HA GLY 63 1.004 4.981 -5.407 1218 2HA GLY 63 1HA GLY 63 -0.358 4.729 -6.499 1219 H SER 64 H SER 64 -0.171 5.529 -3.533 1220 HA SER 64 HA SER 64 -2.382 3.860 -2.727 1221 1HB SER 64 2HB SER 64 -1.318 3.026 -0.661 1222 2HB SER 64 1HB SER 64 -0.534 2.409 -2.115 1223 HG SER 64 HG SER 64 0.772 3.374 -0.254 1224 H TYR 65 H TYR 65 -3.476 4.510 -0.899 1225 HA TYR 65 HA TYR 65 -2.727 7.076 0.312 1226 1HB TYR 65 2HB TYR 65 -4.406 7.466 -1.494 1227 2HB TYR 65 1HB TYR 65 -5.507 6.368 -0.671 1228 HD1 TYR 65 1HD TYR 65 -5.864 7.024 1.930 1229 HD2 TYR 65 2HD TYR 65 -4.751 9.709 -1.177 1230 HE1 TYR 65 1HE TYR 65 -6.738 8.902 3.248 1231 HE2 TYR 65 2HE TYR 65 -5.626 11.596 0.134 1232 HH TYR 65 HH TYR 65 -6.043 12.084 2.604 1233 H VAL 66 H VAL 66 -3.055 7.113 2.499 1234 HA VAL 66 HA VAL 66 -4.831 5.207 3.791 1235 HB VAL 66 HB VAL 66 -1.873 5.161 4.391 1236 1HG1 VAL 66 1HG1 VAL 66 -2.520 3.055 5.626 1237 2HG1 VAL 66 2HG1 VAL 66 -4.192 3.575 5.443 1238 3HG1 VAL 66 3HG1 VAL 66 -3.053 4.574 6.342 1239 1HG2 VAL 66 1HG2 VAL 66 -2.157 4.165 2.235 1240 2HG2 VAL 66 2HG2 VAL 66 -3.537 3.222 2.795 1241 3HG2 VAL 66 3HG2 VAL 66 -1.921 2.868 3.407 1242 H THR 67 H THR 67 -4.807 5.493 6.194 1243 HA THR 67 HA THR 67 -4.121 8.271 6.933 1244 HB THR 67 HB THR 67 -6.270 6.477 8.112 1245 HG1 THR 67 1HG THR 67 -6.351 8.519 6.180 1246 1HG2 THR 67 1HG2 THR 67 -5.807 7.930 9.833 1247 2HG2 THR 67 2HG2 THR 67 -7.080 8.782 8.954 1248 3HG2 THR 67 3HG2 THR 67 -5.393 9.256 8.744 1249 H HIS 68 H HIS 68 -3.345 8.585 9.150 1250 HA HIS 68 HA HIS 68 -2.608 6.291 10.712 1251 1HB HIS 68 2HB HIS 68 -0.146 6.650 10.444 1252 2HB HIS 68 1HB HIS 68 -0.951 6.049 8.994 1253 HD1 HIS 68 1HD HIS 68 0.355 9.303 10.431 1254 HD2 HIS 68 2HD HIS 68 -0.642 7.601 6.775 1255 HE1 HIS 68 1HE HIS 68 1.044 10.986 8.696 1256 HE2 HIS 68 2HE HIS 68 0.376 9.962 6.494 1257 H GLU 69 H GLU 69 -1.809 6.781 12.727 1258 HA GLU 69 HA GLU 69 -2.548 9.217 13.875 1259 1HB GLU 69 2HB GLU 69 -2.346 7.137 15.148 1260 2HB GLU 69 1HB GLU 69 -0.607 7.134 14.890 1261 1HG GLU 69 2HG GLU 69 -1.137 7.894 17.115 1262 2HG GLU 69 1HG GLU 69 -0.410 9.198 16.176 1263 H THR 70 H THR 70 -1.445 11.059 14.400 1264 HA THR 70 HA THR 70 0.671 11.903 12.809 1265 HB THR 70 HB THR 70 0.891 13.791 14.383 1266 HG1 THR 70 1HG THR 70 0.256 13.576 16.354 1267 1HG2 THR 70 1HG2 THR 70 -1.861 12.968 13.553 1268 2HG2 THR 70 2HG2 THR 70 -0.806 14.193 12.849 1269 3HG2 THR 70 3HG2 THR 70 -1.568 14.478 14.413 1270 H LYS 71 H LYS 71 2.859 12.325 13.226 1271 HA LYS 71 HA LYS 71 4.955 11.826 13.947 1272 1HB LYS 71 2HB LYS 71 3.577 11.276 16.583 1273 2HB LYS 71 1HB LYS 71 5.307 11.497 16.360 1274 1HG LYS 71 2HG LYS 71 3.419 13.651 15.530 1275 2HG LYS 71 1HG LYS 71 3.840 13.450 17.229 1276 1HD LYS 71 2HD LYS 71 5.290 15.095 16.185 1277 2HD LYS 71 1HD LYS 71 6.218 13.672 16.657 1278 1HE LYS 71 2HE LYS 71 6.287 12.890 14.399 1279 2HE LYS 71 1HE LYS 71 5.162 14.144 13.874 1280 1HZ LYS 71 1HZ LYS 71 7.789 14.357 13.632 1281 2HZ LYS 71 2HZ LYS 71 7.611 15.045 15.167 1282 3HZ LYS 71 3HZ LYS 71 6.780 15.700 13.847 1283 H HIS 72 H HIS 72 3.469 9.811 12.664 1284 HA HIS 72 HA HIS 72 5.015 7.522 13.479 1285 1HB HIS 72 2HB HIS 72 1.997 7.426 13.634 1286 2HB HIS 72 1HB HIS 72 3.046 6.015 13.702 1287 HD1 HIS 72 1HD HIS 72 5.024 6.445 15.734 1288 HD2 HIS 72 2HD HIS 72 1.257 8.154 16.114 1289 HE1 HIS 72 1HE HIS 72 4.755 6.939 18.185 1290 HE2 HIS 72 2HE HIS 72 2.504 8.056 18.377 1291 H PHE 73 H PHE 73 5.687 8.347 11.268 1292 HA PHE 73 HA PHE 73 4.654 6.535 9.317 1293 1HB PHE 73 2HB PHE 73 2.973 8.232 8.980 1294 2HB PHE 73 1HB PHE 73 4.193 9.495 8.920 1295 HD1 PHE 73 1HD PHE 73 3.455 6.268 7.193 1296 HD2 PHE 73 2HD PHE 73 4.694 10.323 6.840 1297 HE1 PHE 73 1HE PHE 73 3.615 6.005 4.754 1298 HE2 PHE 73 2HE PHE 73 4.860 10.067 4.401 1299 HZ PHE 73 HZ PHE 73 4.319 7.905 3.355 1300 H ILE 74 H ILE 74 6.155 6.105 7.736 1301 HA ILE 74 HA ILE 74 8.344 7.931 7.286 1302 HB ILE 74 HB ILE 74 9.099 6.813 9.327 1303 1HG1 ILE 74 2HG1 ILE 74 10.593 5.938 6.842 1304 2HG1 ILE 74 1HG1 ILE 74 10.760 7.493 7.652 1305 1HG2 ILE 74 1HG2 ILE 74 8.779 4.286 7.715 1306 2HG2 ILE 74 2HG2 ILE 74 7.897 4.737 9.174 1307 3HG2 ILE 74 3HG2 ILE 74 9.624 4.389 9.259 1308 1HD1 ILE 74 1HD1 ILE 74 11.274 5.751 9.675 1309 2HD1 ILE 74 2HD1 ILE 74 12.492 6.536 8.672 1310 3HD1 ILE 74 3HD1 ILE 74 11.945 4.906 8.282 1311 H TYR 75 H TYR 75 9.277 7.673 5.371 1312 HA TYR 75 HA TYR 75 8.831 5.201 3.853 1313 1HB TYR 75 2HB TYR 75 7.116 6.786 3.107 1314 2HB TYR 75 1HB TYR 75 8.351 8.007 2.813 1315 HD1 TYR 75 1HD TYR 75 7.745 4.434 1.864 1316 HD2 TYR 75 2HD TYR 75 8.903 8.331 0.608 1317 HE1 TYR 75 1HE TYR 75 8.018 3.605 -0.435 1318 HE2 TYR 75 2HE TYR 75 9.176 7.515 -1.694 1319 HH TYR 75 HH TYR 75 8.224 4.274 -2.626 1320 H PHE 76 H PHE 76 10.591 4.586 2.624 1321 HA PHE 76 HA PHE 76 12.644 6.424 1.877 1322 1HB PHE 76 2HB PHE 76 14.422 5.525 3.330 1323 2HB PHE 76 1HB PHE 76 13.144 6.301 4.257 1324 HD1 PHE 76 1HD PHE 76 14.171 2.939 3.017 1325 HD2 PHE 76 2HD PHE 76 12.271 5.198 6.082 1326 HE1 PHE 76 1HE PHE 76 13.915 0.894 4.360 1327 HE2 PHE 76 2HE PHE 76 12.015 3.156 7.431 1328 HZ PHE 76 HZ PHE 76 12.838 1.001 6.571 1329 H TYR 77 H TYR 77 14.026 5.610 0.384 1330 HA TYR 77 HA TYR 77 13.361 3.071 -0.790 1331 1HB TYR 77 2HB TYR 77 15.428 5.165 -1.482 1332 2HB TYR 77 1HB TYR 77 15.211 3.681 -2.403 1333 HD1 TYR 77 1HD TYR 77 12.623 3.257 -3.056 1334 HD2 TYR 77 2HD TYR 77 14.408 7.049 -2.326 1335 HE1 TYR 77 1HE TYR 77 10.869 4.334 -4.401 1336 HE2 TYR 77 2HE TYR 77 12.657 8.137 -3.668 1337 HH TYR 77 HH TYR 77 10.490 6.371 -5.642 1338 H LEU 78 H LEU 78 14.783 1.290 -1.048 1339 HA LEU 78 HA LEU 78 17.356 1.210 0.170 1340 1HB LEU 78 2HB LEU 78 15.977 1.168 2.195 1341 2HB LEU 78 1HB LEU 78 15.108 -0.220 1.581 1342 HG LEU 78 HG LEU 78 17.109 -1.589 1.719 1343 1HD1 LEU 78 1HD1 LEU 78 18.402 1.004 2.016 1344 2HD1 LEU 78 2HD1 LEU 78 19.061 -0.537 1.471 1345 3HD1 LEU 78 3HD1 LEU 78 18.946 -0.187 3.196 1346 1HD2 LEU 78 1HD2 LEU 78 17.411 -0.605 4.380 1347 2HD2 LEU 78 2HD2 LEU 78 16.539 -2.031 3.817 1348 3HD2 LEU 78 3HD2 LEU 78 15.716 -0.475 3.909 1349 H GLY 79 H GLY 79 18.531 -0.499 -0.539 1350 1HA GLY 79 2HA GLY 79 19.082 -2.285 -1.876 1351 2HA GLY 79 1HA GLY 79 17.630 -3.031 -1.225 1352 H GLN 80 H GLN 80 17.863 -0.146 -3.235 1353 HA GLN 80 HA GLN 80 16.954 0.390 -5.240 1354 1HB GLN 80 2HB GLN 80 17.399 -2.545 -5.812 1355 2HB GLN 80 1HB GLN 80 17.058 -1.314 -7.021 1356 1HG GLN 80 2HG GLN 80 19.482 -1.419 -5.241 1357 2HG GLN 80 1HG GLN 80 19.424 -1.857 -6.947 1358 1HE2 GLN 80 1HE2 GLN 80 20.331 0.490 -4.893 1359 2HE2 GLN 80 2HE2 GLN 80 20.220 1.867 -5.932 1360 H VAL 81 H VAL 81 15.155 -0.206 -3.146 1361 HA VAL 81 HA VAL 81 12.764 -0.637 -4.688 1362 HB VAL 81 HB VAL 81 11.851 -2.434 -3.273 1363 1HG1 VAL 81 1HG1 VAL 81 14.444 -3.331 -4.505 1364 2HG1 VAL 81 2HG1 VAL 81 13.031 -2.869 -5.454 1365 3HG1 VAL 81 3HG1 VAL 81 12.942 -4.241 -4.350 1366 1HG2 VAL 81 1HG2 VAL 81 13.146 -3.648 -1.715 1367 2HG2 VAL 81 2HG2 VAL 81 13.409 -1.945 -1.339 1368 3HG2 VAL 81 3HG2 VAL 81 14.636 -2.854 -2.222 1369 H ALA 82 H ALA 82 11.062 0.434 -3.837 1370 HA ALA 82 HA ALA 82 11.523 2.252 -1.707 1371 1HB ALA 82 1HB ALA 82 9.997 3.261 -2.986 1372 2HB ALA 82 2HB ALA 82 8.810 2.296 -2.111 1373 3HB ALA 82 3HB ALA 82 9.427 1.736 -3.665 1374 H ILE 83 H ILE 83 10.899 2.226 0.385 1375 HA ILE 83 HA ILE 83 9.363 -0.102 1.328 1376 HB ILE 83 HB ILE 83 11.744 1.139 2.717 1377 1HG1 ILE 83 2HG1 ILE 83 11.362 -1.565 1.415 1378 2HG1 ILE 83 1HG1 ILE 83 12.414 -0.273 0.849 1379 1HG2 ILE 83 1HG2 ILE 83 9.906 -1.100 3.555 1380 2HG2 ILE 83 2HG2 ILE 83 10.120 0.458 4.351 1381 3HG2 ILE 83 3HG2 ILE 83 11.436 -0.715 4.345 1382 1HD1 ILE 83 1HD1 ILE 83 12.720 -1.907 3.351 1383 2HD1 ILE 83 2HD1 ILE 83 13.709 -0.500 2.959 1384 3HD1 ILE 83 3HD1 ILE 83 13.751 -1.924 1.921 1385 H LEU 84 H LEU 84 7.834 0.287 2.872 1386 HA LEU 84 HA LEU 84 7.640 3.001 3.965 1387 1HB LEU 84 2HB LEU 84 6.214 2.901 1.972 1388 2HB LEU 84 1HB LEU 84 5.382 1.507 2.632 1389 HG LEU 84 HG LEU 84 4.554 2.900 4.496 1390 1HD1 LEU 84 1HD1 LEU 84 5.343 4.929 4.934 1391 2HD1 LEU 84 2HD1 LEU 84 5.066 5.463 3.276 1392 3HD1 LEU 84 3HD1 LEU 84 6.572 4.647 3.701 1393 1HD2 LEU 84 1HD2 LEU 84 2.925 4.158 3.200 1394 2HD2 LEU 84 2HD2 LEU 84 3.203 2.574 2.477 1395 3HD2 LEU 84 3HD2 LEU 84 3.933 4.010 1.761 1396 H LEU 85 H LEU 85 6.772 3.148 5.989 1397 HA LEU 85 HA LEU 85 5.447 0.899 7.220 1398 1HB LEU 85 2HB LEU 85 7.831 0.310 7.453 1399 2HB LEU 85 1HB LEU 85 8.117 1.836 8.273 1400 HG LEU 85 HG LEU 85 6.570 1.112 10.079 1401 1HD1 LEU 85 1HD1 LEU 85 5.201 -0.442 8.836 1402 2HD1 LEU 85 2HD1 LEU 85 5.955 -1.265 10.200 1403 3HD1 LEU 85 3HD1 LEU 85 6.590 -1.496 8.570 1404 1HD2 LEU 85 1HD2 LEU 85 8.939 0.829 10.394 1405 2HD2 LEU 85 2HD2 LEU 85 8.920 -0.681 9.481 1406 3HD2 LEU 85 3HD2 LEU 85 8.103 -0.583 11.042 1407 H PHE 86 H PHE 86 4.236 1.477 8.989 1408 HA PHE 86 HA PHE 86 4.602 3.779 10.549 1409 1HB PHE 86 2HB PHE 86 2.810 5.219 9.694 1410 2HB PHE 86 1HB PHE 86 4.069 4.983 8.489 1411 HD1 PHE 86 1HD PHE 86 3.618 2.965 6.829 1412 HD2 PHE 86 2HD PHE 86 0.634 5.035 9.036 1413 HE1 PHE 86 1HE PHE 86 1.921 2.236 5.206 1414 HE2 PHE 86 2HE PHE 86 -1.073 4.314 7.418 1415 HZ PHE 86 HZ PHE 86 -0.429 2.911 5.497 1416 H LYS 87 H LYS 87 3.535 3.436 12.381 1417 HA LYS 87 HA LYS 87 1.520 1.355 12.464 1418 1HB LYS 87 2HB LYS 87 1.846 1.293 14.795 1419 2HB LYS 87 1HB LYS 87 3.436 1.563 14.110 1420 1HG LYS 87 2HG LYS 87 3.500 3.086 15.783 1421 2HG LYS 87 1HG LYS 87 2.792 4.093 14.516 1422 1HD LYS 87 2HD LYS 87 1.500 4.424 16.491 1423 2HD LYS 87 1HD LYS 87 0.535 3.438 15.393 1424 1HE LYS 87 2HE LYS 87 0.407 2.603 17.684 1425 2HE LYS 87 1HE LYS 87 1.163 1.429 16.610 1426 1HZ LYS 87 1HZ LYS 87 2.219 1.926 18.897 1427 2HZ LYS 87 2HZ LYS 87 2.838 3.306 18.139 1428 3HZ LYS 87 3HZ LYS 87 3.223 1.770 17.544 1429 H SER 88 H SER 88 -0.480 1.623 13.674 1430 HA SER 88 HA SER 88 -1.491 4.355 13.848 1431 1HB SER 88 2HB SER 88 -2.829 2.194 12.204 1432 2HB SER 88 1HB SER 88 -3.523 3.773 12.565 1433 HG SER 88 HG SER 88 -2.533 3.816 10.540 1434 H GLY 89 H GLY 89 -2.976 4.643 15.436 1435 1HA GLY 89 2HA GLY 89 -3.199 2.728 17.478 1436 2HA GLY 89 1HA GLY 89 -4.177 4.182 17.337 1437 1H MET 1 1HT MET 1 -10.213 -11.215 12.591 1438 2H MET 1 2HT MET 1 -11.023 -9.802 13.131 1439 3H MET 1 3HT MET 1 -9.801 -10.517 14.098 1440 HA MET 1 HA MET 1 -9.578 -8.957 11.645 1441 1HB MET 1 2HB MET 1 -7.875 -7.808 12.951 1442 2HB MET 1 1HB MET 1 -9.374 -7.899 13.865 1443 1HG MET 1 2HG MET 1 -8.484 -9.743 15.174 1444 2HG MET 1 1HG MET 1 -6.993 -9.705 14.236 1445 1HE MET 1 1HE MET 1 -8.665 -7.039 17.367 1446 2HE MET 1 2HE MET 1 -9.477 -7.558 15.891 1447 3HE MET 1 3HE MET 1 -8.604 -6.027 15.924 1448 H LYS 2 H LYS 2 -7.868 -9.197 10.261 1449 HA LYS 2 HA LYS 2 -5.749 -11.074 10.847 1450 1HB LYS 2 2HB LYS 2 -7.704 -11.568 8.597 1451 2HB LYS 2 1HB LYS 2 -6.153 -12.380 8.751 1452 1HG LYS 2 2HG LYS 2 -8.383 -12.512 10.768 1453 2HG LYS 2 1HG LYS 2 -8.023 -13.745 9.559 1454 1HD LYS 2 2HD LYS 2 -5.818 -14.083 10.543 1455 2HD LYS 2 1HD LYS 2 -6.143 -12.824 11.735 1456 1HE LYS 2 2HE LYS 2 -7.664 -15.411 11.425 1457 2HE LYS 2 1HE LYS 2 -6.477 -15.053 12.679 1458 1HZ LYS 2 1HZ LYS 2 -9.189 -13.951 12.332 1459 2HZ LYS 2 2HZ LYS 2 -8.024 -13.087 13.202 1460 3HZ LYS 2 3HZ LYS 2 -8.483 -14.632 13.712 1461 H ASP 3 H ASP 3 -3.912 -10.602 9.848 1462 HA ASP 3 HA ASP 3 -3.688 -8.133 8.481 1463 1HB ASP 3 2HB ASP 3 -1.282 -8.780 8.251 1464 2HB ASP 3 1HB ASP 3 -1.892 -8.849 9.901 1465 H THR 4 H THR 4 -3.756 -7.663 6.388 1466 HA THR 4 HA THR 4 -4.300 -9.714 4.461 1467 HB THR 4 HB THR 4 -5.333 -7.469 4.351 1468 HG1 THR 4 1HG THR 4 -4.628 -7.097 2.050 1469 1HG2 THR 4 1HG2 THR 4 -2.823 -6.320 3.253 1470 2HG2 THR 4 2HG2 THR 4 -3.066 -6.339 5.000 1471 3HG2 THR 4 3HG2 THR 4 -4.225 -5.515 3.956 1472 H GLY 5 H GLY 5 -2.934 -10.606 2.984 1473 1HA GLY 5 2HA GLY 5 -0.204 -9.505 2.821 1474 2HA GLY 5 1HA GLY 5 -0.444 -11.216 3.139 1475 H ILE 6 H ILE 6 0.225 -9.028 0.794 1476 HA ILE 6 HA ILE 6 -0.139 -10.954 -1.304 1477 HB ILE 6 HB ILE 6 -1.488 -9.464 -2.773 1478 1HG1 ILE 6 2HG1 ILE 6 -2.935 -7.759 -1.542 1479 2HG1 ILE 6 1HG1 ILE 6 -1.784 -7.889 -0.218 1480 1HG2 ILE 6 1HG2 ILE 6 -3.597 -10.145 -1.947 1481 2HG2 ILE 6 2HG2 ILE 6 -3.012 -10.178 -0.283 1482 3HG2 ILE 6 3HG2 ILE 6 -2.438 -11.376 -1.443 1483 1HD1 ILE 6 1HD1 ILE 6 -0.846 -7.238 -2.976 1484 2HD1 ILE 6 2HD1 ILE 6 -0.089 -6.882 -1.424 1485 3HD1 ILE 6 3HD1 ILE 6 -1.522 -5.989 -1.933 1486 H GLN 7 H GLN 7 0.551 -9.958 -3.468 1487 HA GLN 7 HA GLN 7 2.142 -7.590 -3.372 1488 1HB GLN 7 2HB GLN 7 4.320 -8.627 -3.771 1489 2HB GLN 7 1HB GLN 7 3.671 -9.109 -2.210 1490 1HG GLN 7 2HG GLN 7 3.613 -10.768 -4.723 1491 2HG GLN 7 1HG GLN 7 4.735 -10.966 -3.379 1492 1HE2 GLN 7 1HE2 GLN 7 2.044 -12.189 -4.722 1493 2HE2 GLN 7 2HE2 GLN 7 1.298 -12.894 -3.334 1494 H VAL 8 H VAL 8 1.925 -6.712 -5.291 1495 HA VAL 8 HA VAL 8 1.047 -8.286 -7.541 1496 HB VAL 8 HB VAL 8 1.697 -5.338 -7.454 1497 1HG1 VAL 8 1HG1 VAL 8 -0.008 -5.389 -9.381 1498 2HG1 VAL 8 2HG1 VAL 8 0.348 -7.114 -9.454 1499 3HG1 VAL 8 3HG1 VAL 8 1.636 -5.938 -9.703 1500 1HG2 VAL 8 1HG2 VAL 8 -0.785 -6.862 -6.761 1501 2HG2 VAL 8 2HG2 VAL 8 -0.885 -5.215 -7.382 1502 3HG2 VAL 8 3HG2 VAL 8 -0.004 -5.542 -5.889 1503 H ASP 9 H ASP 9 2.122 -8.555 -9.488 1504 HA ASP 9 HA ASP 9 4.642 -7.470 -10.115 1505 1HB ASP 9 1HB ASP 9 5.445 -8.874 -8.281 1506 2HB ASP 9 2HB ASP 9 6.047 -9.476 -9.822 1507 H ARG 10 H ARG 10 2.439 -7.623 -11.599 1508 HA ARG 10 HA ARG 10 3.288 -9.006 -13.908 1509 1HB ARG 10 2HB ARG 10 1.109 -10.461 -13.974 1510 2HB ARG 10 1HB ARG 10 2.542 -11.042 -13.142 1511 1HG ARG 10 2HG ARG 10 0.778 -11.522 -11.698 1512 2HG ARG 10 1HG ARG 10 1.513 -10.070 -11.026 1513 1HD ARG 10 2HD ARG 10 -0.861 -9.806 -10.950 1514 2HD ARG 10 1HD ARG 10 -0.234 -8.730 -12.192 1515 HE ARG 10 HE ARG 10 -1.520 -9.848 -13.696 1516 1HH1 ARG 10 1HH1 ARG 10 -0.945 -11.964 -10.982 1517 2HH1 ARG 10 2HH1 ARG 10 -1.906 -13.252 -11.623 1518 1HH2 ARG 10 1HH2 ARG 10 -2.792 -11.543 -14.537 1519 2HH2 ARG 10 2HH2 ARG 10 -2.957 -13.012 -13.636 1520 H ASP 11 H ASP 11 2.316 -8.255 -15.726 1521 HA ASP 11 HA ASP 11 0.426 -6.082 -15.351 1522 1HB ASP 11 2HB ASP 11 1.921 -6.961 -17.824 1523 2HB ASP 11 1HB ASP 11 0.927 -5.512 -17.695 1524 H LEU 12 H LEU 12 -0.751 -8.480 -14.840 1525 HA LEU 12 HA LEU 12 -2.534 -9.787 -15.364 1526 1HB LEU 12 2HB LEU 12 -3.103 -7.513 -17.266 1527 2HB LEU 12 1HB LEU 12 -4.237 -8.789 -16.869 1528 HG LEU 12 HG LEU 12 -4.197 -8.042 -14.501 1529 1HD1 LEU 12 1HD1 LEU 12 -3.302 -5.652 -14.203 1530 2HD1 LEU 12 2HD1 LEU 12 -2.330 -5.994 -15.634 1531 3HD1 LEU 12 3HD1 LEU 12 -2.149 -6.987 -14.187 1532 1HD2 LEU 12 1HD2 LEU 12 -5.305 -5.757 -15.029 1533 2HD2 LEU 12 2HD2 LEU 12 -6.039 -7.238 -15.644 1534 3HD2 LEU 12 3HD2 LEU 12 -5.065 -6.228 -16.711 1535 H ASP 13 H ASP 13 0.039 -9.678 -17.137 1536 HA ASP 13 HA ASP 13 0.859 -10.709 -19.003 1537 1HB ASP 13 2HB ASP 13 -1.415 -12.605 -18.378 1538 2HB ASP 13 1HB ASP 13 -0.050 -12.969 -19.428 1539 H GLY 14 H GLY 14 -0.863 -8.589 -19.600 1540 1HA GLY 14 2HA GLY 14 -1.829 -7.657 -21.468 1541 2HA GLY 14 1HA GLY 14 -1.464 -9.144 -22.326 1542 H LYS 15 H LYS 15 -2.931 -11.056 -21.398 1543 HA LYS 15 HA LYS 15 -5.494 -10.555 -20.443 1544 1HB LYS 15 2HB LYS 15 -6.843 -10.734 -22.499 1545 2HB LYS 15 1HB LYS 15 -5.865 -9.274 -22.480 1546 1HG LYS 15 2HG LYS 15 -4.243 -10.342 -23.965 1547 2HG LYS 15 1HG LYS 15 -5.232 -11.803 -23.988 1548 1HD LYS 15 2HD LYS 15 -7.081 -10.535 -24.973 1549 2HD LYS 15 1HD LYS 15 -6.089 -9.076 -24.954 1550 1HE LYS 15 2HE LYS 15 -5.488 -11.607 -26.480 1551 2HE LYS 15 1HE LYS 15 -6.115 -10.110 -27.168 1552 1HZ LYS 15 1HZ LYS 15 -3.441 -10.602 -25.996 1553 2HZ LYS 15 2HZ LYS 15 -4.038 -9.040 -26.246 1554 3HZ LYS 15 3HZ LYS 15 -3.820 -10.080 -27.562 1555 H SER 16 H SER 16 -3.696 -12.457 -22.832 1556 HA SER 16 HA SER 16 -5.180 -14.833 -22.565 1557 1HB SER 16 2HB SER 16 -2.285 -14.461 -23.376 1558 2HB SER 16 1HB SER 16 -3.230 -15.929 -23.619 1559 HG SER 16 HG SER 16 -3.191 -13.633 -25.074 1560 H HIS 17 H HIS 17 -4.978 -16.595 -21.256 1561 HA HIS 17 HA HIS 17 -4.440 -17.833 -19.430 1562 1HB HIS 17 2HB HIS 17 -1.777 -16.399 -19.592 1563 2HB HIS 17 1HB HIS 17 -2.103 -17.884 -18.705 1564 HD1 HIS 17 1HD HIS 17 0.049 -18.386 -20.502 1565 HD2 HIS 17 2HD HIS 17 -3.855 -18.386 -21.928 1566 HE1 HIS 17 1HE HIS 17 0.118 -19.687 -22.652 1567 HE2 HIS 17 2HE HIS 17 -2.270 -19.751 -23.449 1568 H LYS 18 H LYS 18 -2.380 -16.540 -17.416 1569 HA LYS 18 HA LYS 18 -4.249 -15.645 -15.562 1570 1HB LYS 18 2HB LYS 18 -1.302 -14.985 -15.717 1571 2HB LYS 18 1HB LYS 18 -2.319 -14.773 -14.297 1572 1HG LYS 18 2HG LYS 18 -1.681 -17.394 -15.636 1573 2HG LYS 18 1HG LYS 18 -0.975 -16.792 -14.135 1574 1HD LYS 18 2HD LYS 18 -3.190 -16.800 -13.092 1575 2HD LYS 18 1HD LYS 18 -3.895 -17.396 -14.595 1576 1HE LYS 18 2HE LYS 18 -2.530 -19.421 -14.428 1577 2HE LYS 18 1HE LYS 18 -1.825 -18.822 -12.927 1578 1HZ LYS 18 1HZ LYS 18 -4.241 -18.722 -12.129 1579 2HZ LYS 18 2HZ LYS 18 -3.499 -20.239 -12.225 1580 3HZ LYS 18 3HZ LYS 18 -4.580 -19.748 -13.431 1581 1H MET 1 1HT MET 1 -3.886 10.687 13.709 1582 2H MET 1 2HT MET 1 -2.637 11.330 12.722 1583 3H MET 1 3HT MET 1 -3.629 10.058 12.136 1584 HA MET 1 HA MET 1 -5.457 11.396 11.928 1585 1HB MET 1 2HB MET 1 -5.119 12.450 14.168 1586 2HB MET 1 1HB MET 1 -3.916 13.511 13.450 1587 1HG MET 1 2HG MET 1 -5.617 14.471 11.995 1588 2HG MET 1 1HG MET 1 -6.824 13.389 12.683 1589 1HE MET 1 1HE MET 1 -6.759 13.039 15.178 1590 2HE MET 1 2HE MET 1 -7.726 14.341 15.871 1591 3HE MET 1 3HE MET 1 -6.036 14.151 16.340 1592 H LYS 2 H LYS 2 -3.465 10.772 10.188 1593 HA LYS 2 HA LYS 2 -3.473 13.070 8.451 1594 1HB LYS 2 2HB LYS 2 -0.873 11.903 9.446 1595 2HB LYS 2 1HB LYS 2 -1.000 12.947 8.039 1596 1HG LYS 2 2HG LYS 2 -1.775 13.705 10.848 1597 2HG LYS 2 1HG LYS 2 -0.278 14.161 10.033 1598 1HD LYS 2 2HD LYS 2 -1.555 15.370 8.341 1599 2HD LYS 2 1HD LYS 2 -3.062 14.892 9.125 1600 1HE LYS 2 2HE LYS 2 -0.888 16.592 10.348 1601 2HE LYS 2 1HE LYS 2 -2.427 17.179 9.720 1602 1HZ LYS 2 1HZ LYS 2 -1.846 15.793 12.209 1603 2HZ LYS 2 2HZ LYS 2 -3.286 15.355 11.437 1604 3HZ LYS 2 3HZ LYS 2 -3.017 16.967 11.870 1605 H ASP 3 H ASP 3 -3.621 12.512 6.394 1606 HA ASP 3 HA ASP 3 -3.624 9.677 5.770 1607 1HB ASP 3 2HB ASP 3 -4.431 12.023 4.046 1608 2HB ASP 3 1HB ASP 3 -4.740 10.323 3.710 1609 H THR 4 H THR 4 -1.900 8.703 4.925 1610 HA THR 4 HA THR 4 0.273 10.238 3.819 1611 HB THR 4 HB THR 4 0.643 8.238 5.244 1612 HG1 THR 4 1HG THR 4 1.602 7.905 2.594 1613 1HG2 THR 4 1HG2 THR 4 -1.281 6.993 3.809 1614 2HG2 THR 4 2HG2 THR 4 -0.071 6.173 4.796 1615 3HG2 THR 4 3HG2 THR 4 0.180 6.350 3.059 1616 H GLY 5 H GLY 5 0.897 10.320 1.678 1617 1HA GLY 5 2HA GLY 5 -0.749 8.849 -0.265 1618 2HA GLY 5 1HA GLY 5 -0.623 10.597 -0.404 1619 H ILE 6 H ILE 6 0.330 8.103 -1.989 1620 HA ILE 6 HA ILE 6 2.796 9.338 -2.849 1621 HB ILE 6 HB ILE 6 4.174 7.329 -2.637 1622 1HG1 ILE 6 2HG1 ILE 6 1.907 6.206 -0.977 1623 2HG1 ILE 6 1HG1 ILE 6 2.287 5.700 -2.621 1624 1HG2 ILE 6 1HG2 ILE 6 4.196 9.082 -0.887 1625 2HG2 ILE 6 2HG2 ILE 6 4.630 7.484 -0.278 1626 3HG2 ILE 6 3HG2 ILE 6 3.020 8.138 0.027 1627 1HD1 ILE 6 1HD1 ILE 6 3.926 5.326 -0.137 1628 2HD1 ILE 6 2HD1 ILE 6 4.578 5.094 -1.760 1629 3HD1 ILE 6 3HD1 ILE 6 3.240 4.094 -1.196 1630 H GLN 7 H GLN 7 3.793 8.038 -4.674 1631 HA GLN 7 HA GLN 7 2.065 6.277 -6.140 1632 1HB GLN 7 2HB GLN 7 1.895 7.766 -8.133 1633 2HB GLN 7 1HB GLN 7 0.979 8.337 -6.746 1634 1HG GLN 7 2HG GLN 7 2.768 9.924 -6.226 1635 2HG GLN 7 1HG GLN 7 3.667 9.362 -7.635 1636 1HE2 GLN 7 1HE2 GLN 7 3.505 10.654 -9.306 1637 2HE2 GLN 7 2HE2 GLN 7 2.136 11.620 -9.728 1638 H VAL 8 H VAL 8 4.186 5.242 -5.557 1639 HA VAL 8 HA VAL 8 6.568 6.036 -6.885 1640 HB VAL 8 HB VAL 8 5.861 3.314 -5.780 1641 1HG1 VAL 8 1HG1 VAL 8 8.347 4.513 -6.867 1642 2HG1 VAL 8 2HG1 VAL 8 7.759 2.852 -6.952 1643 3HG1 VAL 8 3HG1 VAL 8 8.490 3.454 -5.464 1644 1HG2 VAL 8 1HG2 VAL 8 6.567 3.981 -3.697 1645 2HG2 VAL 8 2HG2 VAL 8 5.781 5.452 -4.272 1646 3HG2 VAL 8 3HG2 VAL 8 7.538 5.309 -4.332 1647 H ASP 9 H ASP 9 7.510 5.313 -8.734 1648 HA ASP 9 HA ASP 9 6.610 3.149 -10.304 1649 1HB ASP 9 2HB ASP 9 4.711 4.808 -10.621 1650 2HB ASP 9 1HB ASP 9 5.869 5.852 -11.436 1651 H ARG 10 H ARG 10 9.050 3.966 -9.357 1652 HA ARG 10 HA ARG 10 10.468 5.244 -11.558 1653 1HB ARG 10 2HB ARG 10 12.428 5.149 -10.044 1654 2HB ARG 10 1HB ARG 10 11.056 5.995 -9.341 1655 1HG ARG 10 2HG ARG 10 10.496 4.017 -8.031 1656 2HG ARG 10 1HG ARG 10 11.856 3.152 -8.750 1657 1HD ARG 10 2HD ARG 10 12.044 5.655 -7.078 1658 2HD ARG 10 1HD ARG 10 12.397 4.021 -6.521 1659 HE ARG 10 HE ARG 10 13.972 4.545 -8.771 1660 1HH1 ARG 10 1HH1 ARG 10 13.647 5.613 -5.465 1661 2HH1 ARG 10 2HH1 ARG 10 15.319 6.029 -5.302 1662 1HH2 ARG 10 1HH2 ARG 10 16.173 5.090 -8.560 1663 2HH2 ARG 10 2HH2 ARG 10 16.755 5.733 -7.060 1664 H ASP 11 H ASP 11 10.477 2.180 -9.797 1665 HA ASP 11 HA ASP 11 11.237 0.110 -10.339 1666 1HB ASP 11 2HB ASP 11 11.028 1.165 -13.162 1667 2HB ASP 11 1HB ASP 11 11.216 -0.531 -12.724 1668 H LEU 12 H LEU 12 13.163 1.939 -9.569 1669 HA LEU 12 HA LEU 12 15.418 2.146 -9.430 1670 1HB LEU 12 2HB LEU 12 15.411 -0.222 -11.300 1671 2HB LEU 12 1HB LEU 12 16.842 0.431 -10.530 1672 HG LEU 12 HG LEU 12 15.869 -0.107 -8.316 1673 1HD1 LEU 12 1HD1 LEU 12 13.644 -1.175 -10.020 1674 2HD1 LEU 12 2HD1 LEU 12 13.554 -0.090 -8.633 1675 3HD1 LEU 12 3HD1 LEU 12 13.949 -1.792 -8.397 1676 1HD2 LEU 12 1HD2 LEU 12 16.129 -2.378 -10.281 1677 2HD2 LEU 12 2HD2 LEU 12 16.110 -2.568 -8.528 1678 3HD2 LEU 12 3HD2 LEU 12 17.410 -1.662 -9.303 1679 H ASP 13 H ASP 13 13.746 2.474 -12.353 1680 HA ASP 13 HA ASP 13 14.104 3.709 -14.228 1681 1HB ASP 13 2HB ASP 13 16.332 4.946 -12.591 1682 2HB ASP 13 1HB ASP 13 15.614 5.632 -14.045 1683 H GLY 14 H GLY 14 16.689 4.707 -15.212 1684 1HA GLY 14 2HA GLY 14 17.534 2.342 -16.563 1685 2HA GLY 14 1HA GLY 14 18.264 3.933 -16.703 1686 H LYS 15 H LYS 15 20.370 3.170 -16.642 1687 HA LYS 15 HA LYS 15 21.365 1.367 -14.728 1688 1HB LYS 15 2HB LYS 15 23.556 1.962 -15.471 1689 2HB LYS 15 1HB LYS 15 22.503 1.965 -16.876 1690 1HG LYS 15 2HG LYS 15 23.313 4.442 -15.371 1691 2HG LYS 15 1HG LYS 15 24.144 3.830 -16.799 1692 1HD LYS 15 2HD LYS 15 22.026 4.032 -18.066 1693 2HD LYS 15 1HD LYS 15 21.273 4.746 -16.640 1694 1HE LYS 15 2HE LYS 15 22.902 6.570 -16.692 1695 2HE LYS 15 1HE LYS 15 23.653 5.857 -18.118 1696 1HZ LYS 15 1HZ LYS 15 22.168 7.623 -18.758 1697 2HZ LYS 15 2HZ LYS 15 20.878 6.900 -17.936 1698 3HZ LYS 15 3HZ LYS 15 21.540 6.147 -19.298 1699 H SER 16 H SER 16 21.275 4.909 -14.774 1700 HA SER 16 HA SER 16 22.715 5.280 -12.371 1701 1HB SER 16 2HB SER 16 20.695 7.094 -13.711 1702 2HB SER 16 1HB SER 16 21.801 7.577 -12.426 1703 HG SER 16 HG SER 16 22.607 8.100 -14.506 1704 H HIS 17 H HIS 17 22.089 5.358 -10.281 1705 HA HIS 17 HA HIS 17 19.539 4.227 -9.591 1706 1HB HIS 17 2HB HIS 17 21.752 5.295 -7.827 1707 2HB HIS 17 1HB HIS 17 20.359 4.375 -7.269 1708 HD1 HIS 17 1HD HIS 17 20.211 1.939 -8.782 1709 HD2 HIS 17 2HD HIS 17 23.902 3.691 -8.021 1710 HE1 HIS 17 1HE HIS 17 21.900 0.095 -9.056 1711 HE2 HIS 17 2HE HIS 17 24.115 1.159 -8.504 1712 H LYS 18 H LYS 18 18.867 6.476 -10.872 1713 HA LYS 18 HA LYS 18 17.777 8.454 -10.763 1714 1HB LYS 18 2HB LYS 18 16.314 6.876 -9.432 1715 2HB LYS 18 1HB LYS 18 17.018 7.579 -7.981 1716 1HG LYS 18 2HG LYS 18 16.203 9.775 -8.647 1717 2HG LYS 18 1HG LYS 18 15.501 9.066 -10.101 1718 1HD LYS 18 2HD LYS 18 14.050 7.659 -8.717 1719 2HD LYS 18 1HD LYS 18 14.758 8.361 -7.261 1720 1HE LYS 18 2HE LYS 18 12.611 9.396 -7.781 1721 2HE LYS 18 1HE LYS 18 13.926 10.562 -7.911 1722 1HZ LYS 18 1HZ LYS 18 13.747 10.652 -10.181 1723 2HZ LYS 18 2HZ LYS 18 12.126 10.417 -9.755 1724 3HZ LYS 18 3HZ LYS 18 13.052 9.115 -10.313
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