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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6450 |
1j3c ![]() ![]() |
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 -8.239 16.721 6.184 2 2H MET 1 2HT MET 1 -7.813 16.350 4.581 3 3H MET 1 3HT MET 1 -8.295 15.115 5.643 4 HA MET 1 HA MET 1 -10.533 16.087 5.768 5 1HB MET 1 2HB MET 1 -9.254 18.347 5.127 6 2HB MET 1 1HB MET 1 -9.751 17.877 3.501 7 1HG MET 1 2HG MET 1 -12.091 17.703 4.260 8 2HG MET 1 1HG MET 1 -11.599 18.167 5.890 9 1HE MET 1 1HE MET 1 -13.580 19.892 3.189 10 2HE MET 1 2HE MET 1 -13.655 21.070 4.497 11 3HE MET 1 3HE MET 1 -13.750 19.350 4.865 12 H LYS 2 H LYS 2 -8.773 16.258 2.647 13 HA LYS 2 HA LYS 2 -9.842 13.703 1.727 14 1HB LYS 2 2HB LYS 2 -11.220 16.269 1.240 15 2HB LYS 2 1HB LYS 2 -10.991 15.275 -0.199 16 1HG LYS 2 2HG LYS 2 -11.805 13.420 1.691 17 2HG LYS 2 1HG LYS 2 -12.754 14.843 2.111 18 1HD LYS 2 2HD LYS 2 -13.186 14.962 -0.484 19 2HD LYS 2 1HD LYS 2 -12.744 13.255 -0.431 20 1HE LYS 2 2HE LYS 2 -14.637 14.039 1.687 21 2HE LYS 2 1HE LYS 2 -15.273 14.229 0.042 22 1HZ LYS 2 1HZ LYS 2 -15.591 11.960 0.817 23 2HZ LYS 2 2HZ LYS 2 -13.924 11.806 1.110 24 3HZ LYS 2 3HZ LYS 2 -14.496 11.995 -0.478 25 H LYS 3 H LYS 3 -8.465 16.858 0.785 26 HA LYS 3 HA LYS 3 -6.246 15.597 -0.587 27 1HB LYS 3 2HB LYS 3 -8.603 15.721 -1.988 28 2HB LYS 3 1HB LYS 3 -7.823 17.222 -2.484 29 1HG LYS 3 2HG LYS 3 -5.790 15.963 -3.105 30 2HG LYS 3 1HG LYS 3 -6.578 14.460 -2.623 31 1HD LYS 3 2HD LYS 3 -8.453 15.208 -4.288 32 2HD LYS 3 1HD LYS 3 -7.199 16.250 -4.959 33 1HE LYS 3 2HE LYS 3 -5.875 14.438 -5.643 34 2HE LYS 3 1HE LYS 3 -6.625 13.328 -4.479 35 1HZ LYS 3 1HZ LYS 3 -7.464 13.019 -6.767 36 2HZ LYS 3 2HZ LYS 3 -8.055 14.612 -6.746 37 3HZ LYS 3 3HZ LYS 3 -8.686 13.455 -5.674 38 H LYS 4 H LYS 4 -5.204 17.092 0.941 39 HA LYS 4 HA LYS 4 -5.600 19.910 1.006 40 1HB LYS 4 2HB LYS 4 -3.323 18.031 1.624 41 2HB LYS 4 1HB LYS 4 -3.131 19.773 1.829 42 1HG LYS 4 2HG LYS 4 -5.352 19.639 3.171 43 2HG LYS 4 1HG LYS 4 -5.018 17.909 3.259 44 1HD LYS 4 2HD LYS 4 -2.741 18.467 4.176 45 2HD LYS 4 1HD LYS 4 -3.244 20.156 4.250 46 1HE LYS 4 2HE LYS 4 -4.897 17.988 5.560 47 2HE LYS 4 1HE LYS 4 -3.544 18.763 6.410 48 1HZ LYS 4 1HZ LYS 4 -4.499 20.919 5.930 49 2HZ LYS 4 2HZ LYS 4 -5.635 19.965 6.760 50 3HZ LYS 4 3HZ LYS 4 -5.782 20.203 5.085 51 H ASP 5 H ASP 5 -3.023 18.078 -0.694 52 HA ASP 5 HA ASP 5 -3.173 19.851 -3.027 53 1HB ASP 5 2HB ASP 5 -1.228 20.179 -0.806 54 2HB ASP 5 1HB ASP 5 -0.559 20.285 -2.434 55 HA PRO 6 HA PRO 6 -1.363 16.261 -4.842 56 1HB PRO 6 2HB PRO 6 -0.020 17.303 -6.985 57 2HB PRO 6 1HB PRO 6 -1.790 17.182 -6.921 58 1HG PRO 6 2HG PRO 6 -0.037 19.539 -6.467 59 2HG PRO 6 1HG PRO 6 -1.615 19.440 -7.262 60 1HD PRO 6 2HD PRO 6 -1.250 20.351 -4.709 61 2HD PRO 6 1HD PRO 6 -2.761 19.623 -5.297 62 H ASN 7 H ASN 7 0.938 19.005 -4.718 63 HA ASN 7 HA ASN 7 3.274 17.257 -4.551 64 1HB ASN 7 2HB ASN 7 2.982 19.650 -5.527 65 2HB ASN 7 1HB ASN 7 3.148 20.190 -3.856 66 1HD2 ASN 7 1HD2 ASN 7 4.899 19.076 -6.634 67 2HD2 ASN 7 2HD2 ASN 7 6.431 19.009 -5.904 68 H ALA 8 H ALA 8 1.084 18.714 -2.243 69 HA ALA 8 HA ALA 8 2.896 18.654 0.037 70 1HB ALA 8 1HB ALA 8 0.885 19.231 1.261 71 2HB ALA 8 2HB ALA 8 -0.138 18.621 -0.041 72 3HB ALA 8 3HB ALA 8 0.824 20.081 -0.282 73 HA PRO 9 HA PRO 9 2.510 14.312 0.824 74 1HB PRO 9 2HB PRO 9 3.227 14.237 3.460 75 2HB PRO 9 1HB PRO 9 4.396 14.474 2.148 76 1HG PRO 9 2HG PRO 9 3.193 16.471 3.989 77 2HG PRO 9 1HG PRO 9 4.834 16.382 3.335 78 1HD PRO 9 2HD PRO 9 2.899 18.071 2.385 79 2HD PRO 9 1HD PRO 9 4.265 17.481 1.415 80 H LYS 10 H LYS 10 0.170 14.274 0.599 81 HA LYS 10 HA LYS 10 -1.748 15.058 2.513 82 1HB LYS 10 2HB LYS 10 -1.538 13.357 0.165 83 2HB LYS 10 1HB LYS 10 -2.723 12.732 1.306 84 1HG LYS 10 2HG LYS 10 -4.101 14.570 1.090 85 2HG LYS 10 1HG LYS 10 -2.763 15.662 0.729 86 1HD LYS 10 2HD LYS 10 -3.952 15.415 -1.324 87 2HD LYS 10 1HD LYS 10 -2.520 14.398 -1.483 88 1HE LYS 10 2HE LYS 10 -4.073 12.512 -0.511 89 2HE LYS 10 1HE LYS 10 -5.383 13.571 -1.071 90 1HZ LYS 10 1HZ LYS 10 -4.307 13.692 -3.237 91 2HZ LYS 10 2HZ LYS 10 -4.670 12.080 -2.840 92 3HZ LYS 10 3HZ LYS 10 -3.076 12.653 -2.706 93 H ARG 11 H ARG 11 -3.236 12.998 3.408 94 HA ARG 11 HA ARG 11 -1.973 12.074 5.765 95 1HB ARG 11 2HB ARG 11 -4.440 11.596 4.224 96 2HB ARG 11 1HB ARG 11 -3.967 10.235 5.244 97 1HG ARG 11 2HG ARG 11 -3.807 11.758 7.189 98 2HG ARG 11 1HG ARG 11 -4.307 13.106 6.167 99 1HD ARG 11 2HD ARG 11 -6.504 12.416 6.104 100 2HD ARG 11 1HD ARG 11 -6.069 10.696 6.160 101 HE ARG 11 HE ARG 11 -5.722 10.905 8.562 102 1HH1 ARG 11 1HH1 ARG 11 -8.289 12.567 7.616 103 2HH1 ARG 11 2HH1 ARG 11 -8.200 13.852 8.773 104 1HH2 ARG 11 1HH2 ARG 11 -4.980 13.067 9.790 105 2HH2 ARG 11 2HH2 ARG 11 -6.327 14.135 10.005 106 HA PRO 12 HA PRO 12 0.461 8.747 4.100 107 1HB PRO 12 2HB PRO 12 1.165 7.518 6.436 108 2HB PRO 12 1HB PRO 12 1.893 9.041 5.890 109 1HG PRO 12 2HG PRO 12 -0.177 8.568 7.958 110 2HG PRO 12 1HG PRO 12 1.105 9.786 7.896 111 1HD PRO 12 2HD PRO 12 -1.555 10.252 7.308 112 2HD PRO 12 1HD PRO 12 -0.199 11.267 6.775 113 HA PRO 13 HA PRO 13 -2.667 5.543 4.264 114 1HB PRO 13 2HB PRO 13 -1.626 3.913 2.330 115 2HB PRO 13 1HB PRO 13 -2.488 5.417 1.962 116 1HG PRO 13 2HG PRO 13 0.392 4.822 1.850 117 2HG PRO 13 1HG PRO 13 -0.556 6.006 0.945 118 1HD PRO 13 2HD PRO 13 1.098 6.506 3.168 119 2HD PRO 13 1HD PRO 13 -0.032 7.642 2.404 120 H SER 14 H SER 14 -2.094 2.821 3.882 121 HA SER 14 HA SER 14 0.222 1.990 5.460 122 1HB SER 14 2HB SER 14 -1.336 2.966 7.146 123 2HB SER 14 1HB SER 14 -2.570 1.815 6.643 124 HG SER 14 HG SER 14 -0.106 1.362 7.941 125 H ALA 15 H ALA 15 -0.146 0.980 3.061 126 HA ALA 15 HA ALA 15 -0.373 -1.021 1.884 127 1HB ALA 15 1HB ALA 15 -0.141 -1.732 4.619 128 2HB ALA 15 2HB ALA 15 0.127 -2.775 3.224 129 3HB ALA 15 3HB ALA 15 -1.464 -2.705 3.977 130 H PHE 16 H PHE 16 -3.014 -1.492 4.267 131 HA PHE 16 HA PHE 16 -5.019 -2.340 2.547 132 1HB PHE 16 2HB PHE 16 -4.945 -2.049 5.091 133 2HB PHE 16 1HB PHE 16 -5.444 -0.381 4.811 134 HD1 PHE 16 1HD PHE 16 -6.408 -3.926 4.122 135 HD2 PHE 16 2HD PHE 16 -7.709 0.157 4.417 136 HE1 PHE 16 1HE PHE 16 -8.767 -4.660 3.904 137 HE2 PHE 16 2HE PHE 16 -10.067 -0.577 4.199 138 HZ PHE 16 HZ PHE 16 -10.597 -2.987 3.943 139 H PHE 17 H PHE 17 -4.422 1.079 3.456 140 HA PHE 17 HA PHE 17 -6.436 2.263 1.823 141 1HB PHE 17 2HB PHE 17 -3.983 3.037 3.269 142 2HB PHE 17 1HB PHE 17 -4.367 4.093 1.910 143 HD1 PHE 17 1HD PHE 17 -5.341 3.001 5.248 144 HD2 PHE 17 2HD PHE 17 -6.587 5.236 1.798 145 HE1 PHE 17 1HE PHE 17 -7.114 4.092 6.596 146 HE2 PHE 17 2HE PHE 17 -8.359 6.329 3.146 147 HZ PHE 17 HZ PHE 17 -8.623 5.757 5.545 148 H LEU 18 H LEU 18 -3.060 1.389 1.101 149 HA LEU 18 HA LEU 18 -2.943 2.525 -1.535 150 1HB LEU 18 2HB LEU 18 -1.491 0.096 -0.425 151 2HB LEU 18 1HB LEU 18 -0.949 1.126 -1.744 152 HG LEU 18 HG LEU 18 -1.226 1.927 1.175 153 1HD1 LEU 18 1HD1 LEU 18 1.010 1.131 -0.619 154 2HD1 LEU 18 2HD1 LEU 18 0.804 0.863 1.112 155 3HD1 LEU 18 3HD1 LEU 18 1.320 2.442 0.518 156 1HD2 LEU 18 1HD2 LEU 18 0.087 3.990 0.053 157 2HD2 LEU 18 2HD2 LEU 18 -1.674 3.966 0.167 158 3HD2 LEU 18 3HD2 LEU 18 -0.882 3.509 -1.341 159 H PHE 19 H PHE 19 -3.951 -0.648 -0.307 160 HA PHE 19 HA PHE 19 -4.316 -1.843 -2.944 161 1HB PHE 19 2HB PHE 19 -3.765 -3.087 -0.869 162 2HB PHE 19 1HB PHE 19 -5.317 -2.614 -0.182 163 HD1 PHE 19 1HD PHE 19 -3.588 -4.960 -2.312 164 HD2 PHE 19 2HD PHE 19 -7.452 -3.331 -1.380 165 HE1 PHE 19 1HE PHE 19 -4.673 -6.896 -3.419 166 HE2 PHE 19 2HE PHE 19 -8.536 -5.267 -2.487 167 HZ PHE 19 HZ PHE 19 -7.146 -7.050 -3.506 168 H CYS 20 H CYS 20 -6.619 -0.835 -0.381 169 HA CYS 20 HA CYS 20 -9.023 -1.257 -1.823 170 1HB CYS 20 2HB CYS 20 -8.625 -0.705 0.639 171 2HB CYS 20 1HB CYS 20 -8.480 0.983 0.145 172 HG CYS 20 HG CYS 20 -10.960 0.960 0.391 173 H SER 21 H SER 21 -7.211 1.817 -1.458 174 HA SER 21 HA SER 21 -8.816 3.421 -3.163 175 1HB SER 21 2HB SER 21 -6.886 4.894 -3.153 176 2HB SER 21 1HB SER 21 -6.984 4.116 -1.576 177 HG SER 21 HG SER 21 -5.183 3.722 -3.683 178 H GLU 22 H GLU 22 -6.398 0.999 -3.961 179 HA GLU 22 HA GLU 22 -6.295 1.865 -6.796 180 1HB GLU 22 2HB GLU 22 -4.805 0.011 -4.990 181 2HB GLU 22 1HB GLU 22 -4.660 -0.196 -6.732 182 1HG GLU 22 2HG GLU 22 -4.168 2.416 -5.274 183 2HG GLU 22 1HG GLU 22 -2.896 1.301 -5.775 184 H TYR 23 H TYR 23 -7.688 -0.670 -4.785 185 HA TYR 23 HA TYR 23 -8.366 -2.368 -7.100 186 1HB TYR 23 2HB TYR 23 -8.448 -2.472 -4.127 187 2HB TYR 23 1HB TYR 23 -9.628 -3.468 -4.980 188 HD1 TYR 23 1HD TYR 23 -5.978 -2.602 -5.032 189 HD2 TYR 23 2HD TYR 23 -8.989 -5.575 -5.771 190 HE1 TYR 23 1HE TYR 23 -4.210 -4.264 -5.543 191 HE2 TYR 23 2HE TYR 23 -7.222 -7.238 -6.282 192 HH TYR 23 HH TYR 23 -4.017 -6.816 -5.484 193 H ARG 24 H ARG 24 -10.020 -0.143 -4.874 194 HA ARG 24 HA ARG 24 -12.703 -0.683 -5.332 195 1HB ARG 24 2HB ARG 24 -11.153 1.875 -4.974 196 2HB ARG 24 1HB ARG 24 -12.914 1.868 -5.085 197 1HG ARG 24 2HG ARG 24 -13.131 0.473 -3.158 198 2HG ARG 24 1HG ARG 24 -11.407 0.108 -3.144 199 1HD ARG 24 2HD ARG 24 -10.878 2.068 -2.082 200 2HD ARG 24 1HD ARG 24 -12.082 2.996 -2.997 201 HE ARG 24 HE ARG 24 -13.445 1.159 -1.273 202 1HH1 ARG 24 1HH1 ARG 24 -10.960 2.988 -0.146 203 2HH1 ARG 24 2HH1 ARG 24 -11.912 4.060 0.827 204 1HH2 ARG 24 1HH2 ARG 24 -14.938 2.989 -0.481 205 2HH2 ARG 24 2HH2 ARG 24 -14.163 4.060 0.637 206 HA PRO 25 HA PRO 25 -12.731 2.150 -9.291 207 1HB PRO 25 2HB PRO 25 -10.322 2.351 -10.606 208 2HB PRO 25 1HB PRO 25 -10.918 3.559 -9.449 209 1HG PRO 25 2HG PRO 25 -9.016 1.294 -8.998 210 2HG PRO 25 1HG PRO 25 -8.889 2.985 -8.479 211 1HD PRO 25 2HD PRO 25 -9.672 1.128 -6.769 212 2HD PRO 25 1HD PRO 25 -10.465 2.717 -6.773 213 H LYS 26 H LYS 26 -10.630 -0.635 -8.912 214 HA LYS 26 HA LYS 26 -10.992 -1.757 -11.566 215 1HB LYS 26 2HB LYS 26 -9.259 -2.270 -9.700 216 2HB LYS 26 1HB LYS 26 -10.539 -3.252 -8.982 217 1HG LYS 26 2HG LYS 26 -9.787 -3.607 -11.877 218 2HG LYS 26 1HG LYS 26 -8.860 -4.408 -10.608 219 1HD LYS 26 2HD LYS 26 -11.140 -5.234 -9.722 220 2HD LYS 26 1HD LYS 26 -11.778 -4.755 -11.295 221 1HE LYS 26 2HE LYS 26 -10.015 -6.195 -12.380 222 2HE LYS 26 1HE LYS 26 -9.584 -6.786 -10.762 223 1HZ LYS 26 1HZ LYS 26 -12.310 -6.863 -11.947 224 2HZ LYS 26 2HZ LYS 26 -11.871 -7.447 -10.413 225 3HZ LYS 26 3HZ LYS 26 -11.270 -8.196 -11.814 226 H ILE 27 H ILE 27 -12.508 -2.261 -8.394 227 HA ILE 27 HA ILE 27 -14.408 -4.258 -9.050 228 HB ILE 27 HB ILE 27 -14.599 -1.898 -7.135 229 1HG1 ILE 27 2HG1 ILE 27 -12.578 -3.225 -6.713 230 2HG1 ILE 27 1HG1 ILE 27 -13.754 -3.502 -5.437 231 1HG2 ILE 27 1HG2 ILE 27 -16.771 -2.928 -7.401 232 2HG2 ILE 27 2HG2 ILE 27 -16.110 -3.428 -5.845 233 3HG2 ILE 27 3HG2 ILE 27 -16.080 -4.539 -7.214 234 1HD1 ILE 27 1HD1 ILE 27 -14.521 -5.526 -6.825 235 2HD1 ILE 27 2HD1 ILE 27 -12.972 -5.659 -5.993 236 3HD1 ILE 27 3HD1 ILE 27 -13.018 -5.322 -7.723 237 H LYS 28 H LYS 28 -14.464 -0.765 -9.544 238 HA LYS 28 HA LYS 28 -17.285 -0.567 -10.114 239 1HB LYS 28 2HB LYS 28 -15.203 1.330 -11.199 240 2HB LYS 28 1HB LYS 28 -16.818 1.691 -10.609 241 1HG LYS 28 2HG LYS 28 -14.299 1.203 -9.072 242 2HG LYS 28 1HG LYS 28 -15.426 2.527 -8.919 243 1HD LYS 28 2HD LYS 28 -15.809 -0.320 -7.930 244 2HD LYS 28 1HD LYS 28 -15.609 1.129 -6.956 245 1HE LYS 28 2HE LYS 28 -17.897 0.909 -8.927 246 2HE LYS 28 1HE LYS 28 -18.032 0.278 -7.275 247 1HZ LYS 28 1HZ LYS 28 -17.297 2.430 -6.437 248 2HZ LYS 28 2HZ LYS 28 -18.717 2.593 -7.355 249 3HZ LYS 28 3HZ LYS 28 -17.218 3.037 -8.019 250 H SER 29 H SER 29 -14.427 -1.079 -12.152 251 HA SER 29 HA SER 29 -15.675 -0.724 -14.701 252 1HB SER 29 2HB SER 29 -13.242 -0.832 -14.271 253 2HB SER 29 1HB SER 29 -13.394 -2.530 -13.830 254 HG SER 29 HG SER 29 -13.603 -3.044 -15.876 255 H GLU 30 H GLU 30 -15.820 -3.371 -12.409 256 HA GLU 30 HA GLU 30 -17.252 -5.048 -14.446 257 1HB GLU 30 2HB GLU 30 -15.227 -5.529 -12.350 258 2HB GLU 30 1HB GLU 30 -16.523 -6.722 -12.396 259 1HG GLU 30 2HG GLU 30 -15.127 -5.871 -14.928 260 2HG GLU 30 1HG GLU 30 -14.438 -7.125 -13.897 261 H HIS 31 H HIS 31 -17.526 -3.427 -11.383 262 HA HIS 31 HA HIS 31 -20.208 -4.714 -10.967 263 1HB HIS 31 2HB HIS 31 -18.323 -3.592 -8.864 264 2HB HIS 31 1HB HIS 31 -19.822 -4.465 -8.572 265 HD1 HIS 31 1HD HIS 31 -16.237 -4.963 -9.427 266 HD2 HIS 31 2HD HIS 31 -19.676 -7.298 -9.135 267 HE1 HIS 31 1HE HIS 31 -15.465 -7.373 -9.438 268 HA PRO 32 HA PRO 32 -20.959 -0.260 -11.624 269 1HB PRO 32 2HB PRO 32 -23.465 -0.557 -12.682 270 2HB PRO 32 1HB PRO 32 -21.985 -0.702 -13.642 271 1HG PRO 32 2HG PRO 32 -23.760 -2.823 -12.585 272 2HG PRO 32 1HG PRO 32 -22.833 -2.769 -14.092 273 1HD PRO 32 2HD PRO 32 -22.094 -4.177 -11.841 274 2HD PRO 32 1HD PRO 32 -20.981 -3.656 -13.123 275 H GLY 33 H GLY 33 -23.159 -2.699 -10.289 276 1HA GLY 33 2HA GLY 33 -24.739 -0.798 -8.768 277 2HA GLY 33 1HA GLY 33 -24.767 -2.549 -8.584 278 H LEU 34 H LEU 34 -21.662 -2.287 -8.287 279 HA LEU 34 HA LEU 34 -21.500 -2.525 -5.463 280 1HB LEU 34 2HB LEU 34 -19.785 -2.520 -7.790 281 2HB LEU 34 1HB LEU 34 -19.005 -1.621 -6.498 282 HG LEU 34 HG LEU 34 -18.465 -4.068 -6.486 283 1HD1 LEU 34 1HD1 LEU 34 -18.074 -3.150 -4.411 284 2HD1 LEU 34 2HD1 LEU 34 -19.315 -4.328 -3.986 285 3HD1 LEU 34 3HD1 LEU 34 -19.746 -2.630 -4.203 286 1HD2 LEU 34 1HD2 LEU 34 -21.102 -4.469 -7.040 287 2HD2 LEU 34 2HD2 LEU 34 -21.104 -4.727 -5.295 288 3HD2 LEU 34 3HD2 LEU 34 -20.060 -5.702 -6.331 289 H SER 35 H SER 35 -22.776 -0.566 -4.778 290 HA SER 35 HA SER 35 -21.697 2.112 -5.170 291 1HB SER 35 2HB SER 35 -23.429 2.657 -3.456 292 2HB SER 35 1HB SER 35 -24.073 1.642 -4.745 293 HG SER 35 HG SER 35 -24.467 1.055 -2.415 294 H ILE 36 H ILE 36 -21.134 3.435 -3.077 295 HA ILE 36 HA ILE 36 -18.727 2.541 -1.922 296 HB ILE 36 HB ILE 36 -20.852 4.427 -0.852 297 1HG1 ILE 36 2HG1 ILE 36 -19.979 5.035 -3.082 298 2HG1 ILE 36 1HG1 ILE 36 -19.418 6.175 -1.863 299 1HG2 ILE 36 1HG2 ILE 36 -17.974 3.970 -0.027 300 2HG2 ILE 36 2HG2 ILE 36 -19.412 3.901 0.989 301 3HG2 ILE 36 3HG2 ILE 36 -18.852 5.450 0.361 302 1HD1 ILE 36 1HD1 ILE 36 -17.518 5.634 -3.232 303 2HD1 ILE 36 2HD1 ILE 36 -17.852 3.906 -3.119 304 3HD1 ILE 36 3HD1 ILE 36 -17.293 4.792 -1.700 305 H GLY 37 H GLY 37 -22.043 1.911 -0.900 306 1HA GLY 37 2HA GLY 37 -21.531 0.959 1.735 307 2HA GLY 37 1HA GLY 37 -22.901 0.465 0.738 308 H ASP 38 H ASP 38 -22.256 -1.116 -1.086 309 HA ASP 38 HA ASP 38 -21.080 -3.473 0.092 310 1HB ASP 38 2HB ASP 38 -22.196 -2.578 -2.523 311 2HB ASP 38 1HB ASP 38 -21.175 -4.017 -2.551 312 H THR 39 H THR 39 -19.784 -0.882 -1.909 313 HA THR 39 HA THR 39 -17.384 -2.217 -2.793 314 HB THR 39 HB THR 39 -18.050 0.711 -2.338 315 HG1 THR 39 1HG THR 39 -18.078 -0.908 -4.666 316 1HG2 THR 39 1HG2 THR 39 -15.765 -0.645 -3.785 317 2HG2 THR 39 2HG2 THR 39 -15.666 0.554 -2.496 318 3HG2 THR 39 3HG2 THR 39 -16.230 1.028 -4.098 319 H ALA 40 H ALA 40 -18.276 -0.541 0.170 320 HA ALA 40 HA ALA 40 -15.563 -0.308 1.207 321 1HB ALA 40 1HB ALA 40 -16.864 0.204 3.321 322 2HB ALA 40 2HB ALA 40 -18.338 -0.166 2.426 323 3HB ALA 40 3HB ALA 40 -17.324 1.191 1.934 324 H LYS 41 H LYS 41 -18.304 -2.516 1.829 325 HA LYS 41 HA LYS 41 -16.690 -4.200 3.603 326 1HB LYS 41 2HB LYS 41 -18.782 -5.446 3.836 327 2HB LYS 41 1HB LYS 41 -19.098 -3.719 3.955 328 1HG LYS 41 2HG LYS 41 -19.546 -3.889 1.376 329 2HG LYS 41 1HG LYS 41 -19.733 -5.607 1.700 330 1HD LYS 41 2HD LYS 41 -21.913 -4.522 1.846 331 2HD LYS 41 1HD LYS 41 -21.422 -5.069 3.447 332 1HE LYS 41 2HE LYS 41 -20.376 -2.434 3.154 333 2HE LYS 41 1HE LYS 41 -22.062 -2.387 2.599 334 1HZ LYS 41 1HZ LYS 41 -21.998 -2.139 4.985 335 2HZ LYS 41 2HZ LYS 41 -21.080 -3.560 5.149 336 3HZ LYS 41 3HZ LYS 41 -22.686 -3.640 4.599 337 H LYS 42 H LYS 42 -17.186 -4.084 0.179 338 HA LYS 42 HA LYS 42 -16.911 -6.950 -0.314 339 1HB LYS 42 2HB LYS 42 -18.065 -5.428 -1.865 340 2HB LYS 42 1HB LYS 42 -16.590 -4.483 -2.063 341 1HG LYS 42 2HG LYS 42 -16.775 -5.948 -3.968 342 2HG LYS 42 1HG LYS 42 -15.479 -6.574 -2.949 343 1HD LYS 42 2HD LYS 42 -16.589 -8.553 -3.120 344 2HD LYS 42 1HD LYS 42 -17.657 -7.868 -1.896 345 1HE LYS 42 2HE LYS 42 -19.362 -7.516 -3.392 346 2HE LYS 42 1HE LYS 42 -18.247 -7.116 -4.716 347 1HZ LYS 42 1HZ LYS 42 -18.684 -9.825 -3.570 348 2HZ LYS 42 2HZ LYS 42 -17.583 -9.444 -4.806 349 3HZ LYS 42 3HZ LYS 42 -19.253 -9.288 -5.075 350 H LEU 43 H LEU 43 -14.733 -4.176 -1.010 351 HA LEU 43 HA LEU 43 -12.410 -5.625 -1.669 352 1HB LEU 43 2HB LEU 43 -12.981 -2.947 -0.420 353 2HB LEU 43 1HB LEU 43 -11.313 -3.470 -0.641 354 HG LEU 43 HG LEU 43 -12.424 -4.081 -3.089 355 1HD1 LEU 43 1HD1 LEU 43 -14.528 -2.985 -2.605 356 2HD1 LEU 43 2HD1 LEU 43 -13.635 -1.975 -3.742 357 3HD1 LEU 43 3HD1 LEU 43 -13.695 -1.540 -2.033 358 1HD2 LEU 43 1HD2 LEU 43 -10.288 -2.996 -2.853 359 2HD2 LEU 43 2HD2 LEU 43 -11.027 -1.570 -2.123 360 3HD2 LEU 43 3HD2 LEU 43 -11.298 -1.928 -3.829 361 H GLY 44 H GLY 44 -13.788 -4.965 1.503 362 1HA GLY 44 2HA GLY 44 -11.442 -5.697 3.035 363 2HA GLY 44 1HA GLY 44 -13.088 -5.584 3.664 364 H GLU 45 H GLU 45 -14.396 -7.425 2.035 365 HA GLU 45 HA GLU 45 -13.965 -9.907 3.315 366 1HB GLU 45 2HB GLU 45 -15.351 -8.900 0.872 367 2HB GLU 45 1HB GLU 45 -15.151 -10.647 1.017 368 1HG GLU 45 2HG GLU 45 -16.226 -8.998 3.304 369 2HG GLU 45 1HG GLU 45 -17.289 -9.610 2.035 370 H MET 46 H MET 46 -12.535 -8.618 0.346 371 HA MET 46 HA MET 46 -11.248 -11.124 -0.435 372 1HB MET 46 2HB MET 46 -10.848 -8.216 -1.221 373 2HB MET 46 1HB MET 46 -10.114 -9.584 -2.058 374 1HG MET 46 2HG MET 46 -13.099 -9.388 -1.643 375 2HG MET 46 1HG MET 46 -12.305 -8.673 -3.046 376 1HE MET 46 1HE MET 46 -12.087 -10.334 -5.382 377 2HE MET 46 2HE MET 46 -10.706 -11.342 -4.953 378 3HE MET 46 3HE MET 46 -10.768 -9.667 -4.409 379 H TRP 47 H TRP 47 -10.106 -8.037 0.957 380 HA TRP 47 HA TRP 47 -7.380 -8.576 1.301 381 1HB TRP 47 2HB TRP 47 -8.672 -6.465 1.781 382 2HB TRP 47 1HB TRP 47 -9.212 -7.202 3.290 383 HD1 TRP 47 HD TRP 47 -7.676 -6.943 5.308 384 HE1 TRP 47 1HE TRP 47 -5.250 -6.151 5.677 385 HE3 TRP 47 3HE TRP 47 -6.168 -6.430 0.456 386 HZ2 TRP 47 2HZ TRP 47 -2.971 -5.400 4.120 387 HZ3 TRP 47 3HZ TRP 47 -3.866 -5.676 -0.072 388 HH2 TRP 47 HH TRP 47 -2.268 -5.160 1.751 389 H SER 48 H SER 48 -9.952 -9.250 3.726 390 HA SER 48 HA SER 48 -8.263 -10.591 5.607 391 1HB SER 48 2HB SER 48 -10.588 -9.660 5.940 392 2HB SER 48 1HB SER 48 -11.210 -11.042 5.040 393 HG SER 48 HG SER 48 -11.235 -11.474 7.258 394 H GLU 49 H GLU 49 -10.048 -11.752 2.777 395 HA GLU 49 HA GLU 49 -9.779 -14.571 3.242 396 1HB GLU 49 2HB GLU 49 -10.357 -12.713 0.987 397 2HB GLU 49 1HB GLU 49 -9.866 -14.349 0.547 398 1HG GLU 49 2HG GLU 49 -11.999 -13.868 2.626 399 2HG GLU 49 1HG GLU 49 -12.393 -13.916 0.908 400 H GLN 50 H GLN 50 -7.688 -12.217 1.581 401 HA GLN 50 HA GLN 50 -5.769 -13.984 0.465 402 1HB GLN 50 2HB GLN 50 -5.541 -11.192 1.628 403 2HB GLN 50 1HB GLN 50 -4.290 -11.950 0.642 404 1HG GLN 50 2HG GLN 50 -7.134 -11.763 -0.340 405 2HG GLN 50 1HG GLN 50 -6.009 -10.423 -0.557 406 1HE2 GLN 50 1HE2 GLN 50 -4.477 -10.596 -2.245 407 2HE2 GLN 50 2HE2 GLN 50 -4.280 -11.982 -3.204 408 H SER 51 H SER 51 -3.633 -14.556 1.259 409 HA SER 51 HA SER 51 -3.616 -15.249 4.132 410 1HB SER 51 2HB SER 51 -3.022 -16.804 2.224 411 2HB SER 51 1HB SER 51 -1.607 -15.801 1.921 412 HG SER 51 HG SER 51 -2.250 -17.314 4.230 413 H ALA 52 H ALA 52 -0.620 -15.162 4.196 414 HA ALA 52 HA ALA 52 -0.340 -12.323 4.970 415 1HB ALA 52 1HB ALA 52 1.543 -14.698 5.160 416 2HB ALA 52 2HB ALA 52 0.386 -14.227 6.405 417 3HB ALA 52 3HB ALA 52 1.730 -13.159 6.002 418 H LYS 53 H LYS 53 -0.592 -12.537 2.178 419 HA LYS 53 HA LYS 53 2.209 -11.986 1.246 420 1HB LYS 53 2HB LYS 53 -0.094 -13.514 0.037 421 2HB LYS 53 1HB LYS 53 1.171 -12.839 -0.990 422 1HG LYS 53 2HG LYS 53 2.820 -14.008 0.642 423 2HG LYS 53 1HG LYS 53 1.414 -14.946 1.151 424 1HD LYS 53 2HD LYS 53 1.108 -15.870 -1.009 425 2HD LYS 53 1HD LYS 53 2.152 -14.665 -1.763 426 1HE LYS 53 2HE LYS 53 3.463 -16.675 -1.635 427 2HE LYS 53 1HE LYS 53 4.049 -15.645 -0.312 428 1HZ LYS 53 1HZ LYS 53 1.943 -17.732 -0.074 429 2HZ LYS 53 2HZ LYS 53 2.497 -16.734 1.185 430 3HZ LYS 53 3HZ LYS 53 3.538 -17.880 0.485 431 H ASP 54 H ASP 54 -1.262 -11.327 0.730 432 HA ASP 54 HA ASP 54 -1.087 -9.242 -1.161 433 1HB ASP 54 2HB ASP 54 -3.294 -8.579 -0.212 434 2HB ASP 54 1HB ASP 54 -3.165 -10.324 -0.423 435 H LYS 55 H LYS 55 -0.355 -9.173 2.284 436 HA LYS 55 HA LYS 55 -0.040 -6.201 2.175 437 1HB LYS 55 2HB LYS 55 -1.486 -7.474 3.892 438 2HB LYS 55 1HB LYS 55 0.042 -7.982 4.612 439 1HG LYS 55 2HG LYS 55 0.690 -5.532 4.709 440 2HG LYS 55 1HG LYS 55 -0.970 -5.151 4.247 441 1HD LYS 55 2HD LYS 55 -1.765 -6.471 6.224 442 2HD LYS 55 1HD LYS 55 -0.083 -6.671 6.715 443 1HE LYS 55 2HE LYS 55 -1.197 -3.914 6.188 444 2HE LYS 55 1HE LYS 55 -1.405 -4.695 7.768 445 1HZ LYS 55 1HZ LYS 55 1.177 -4.335 6.339 446 2HZ LYS 55 2HZ LYS 55 0.977 -5.111 7.837 447 3HZ LYS 55 3HZ LYS 55 0.670 -3.446 7.692 448 H GLN 56 H GLN 56 1.939 -8.296 1.130 449 HA GLN 56 HA GLN 56 4.212 -7.856 3.004 450 1HB GLN 56 2HB GLN 56 3.394 -9.853 1.007 451 2HB GLN 56 1HB GLN 56 5.104 -9.439 0.920 452 1HG GLN 56 2HG GLN 56 3.790 -10.056 3.563 453 2HG GLN 56 1HG GLN 56 4.405 -11.346 2.530 454 1HE2 GLN 56 1HE2 GLN 56 5.315 -8.947 4.842 455 2HE2 GLN 56 2HE2 GLN 56 6.996 -9.136 4.701 456 HA PRO 57 HA PRO 57 5.983 -5.919 -0.914 457 1HB PRO 57 2HB PRO 57 4.610 -5.907 -3.258 458 2HB PRO 57 1HB PRO 57 5.623 -7.272 -2.748 459 1HG PRO 57 2HG PRO 57 2.697 -6.999 -2.763 460 2HG PRO 57 1HG PRO 57 3.691 -8.448 -2.935 461 1HD PRO 57 2HD PRO 57 2.324 -7.614 -0.634 462 2HD PRO 57 1HD PRO 57 3.556 -8.886 -0.730 463 H TYR 58 H TYR 58 2.447 -5.521 -0.905 464 HA TYR 58 HA TYR 58 2.558 -2.702 -1.675 465 1HB TYR 58 2HB TYR 58 0.655 -4.835 -1.435 466 2HB TYR 58 1HB TYR 58 0.056 -3.470 -0.495 467 HD1 TYR 58 1HD TYR 58 0.035 -1.153 -1.626 468 HD2 TYR 58 2HD TYR 58 0.483 -4.838 -3.786 469 HE1 TYR 58 1HE TYR 58 -0.644 -0.009 -3.718 470 HE2 TYR 58 2HE TYR 58 -0.197 -3.695 -5.878 471 HH TYR 58 HH TYR 58 -1.801 -1.078 -6.103 472 H GLU 59 H GLU 59 3.476 -4.090 1.187 473 HA GLU 59 HA GLU 59 2.156 -2.092 2.942 474 1HB GLU 59 2HB GLU 59 3.007 -3.518 4.724 475 2HB GLU 59 1HB GLU 59 2.288 -4.537 3.486 476 1HG GLU 59 2HG GLU 59 4.250 -5.685 3.535 477 2HG GLU 59 1HG GLU 59 4.900 -4.332 2.615 478 H GLN 60 H GLN 60 5.187 -2.674 1.326 479 HA GLN 60 HA GLN 60 6.836 -1.044 3.097 480 1HB GLN 60 2HB GLN 60 8.508 -1.414 1.324 481 2HB GLN 60 1HB GLN 60 7.668 -2.918 1.688 482 1HG GLN 60 2HG GLN 60 6.061 -1.939 -0.277 483 2HG GLN 60 1HG GLN 60 7.613 -1.268 -0.777 484 1HE2 GLN 60 1HE2 GLN 60 8.141 -2.685 -2.503 485 2HE2 GLN 60 2HE2 GLN 60 8.315 -4.363 -2.317 486 H LYS 61 H LYS 61 4.760 -0.467 0.342 487 HA LYS 61 HA LYS 61 5.814 2.005 -0.619 488 1HB LYS 61 2HB LYS 61 4.120 0.652 -1.771 489 2HB LYS 61 1HB LYS 61 2.980 0.919 -0.454 490 1HG LYS 61 2HG LYS 61 2.775 3.239 -0.968 491 2HG LYS 61 1HG LYS 61 4.180 3.202 -2.034 492 1HD LYS 61 2HD LYS 61 2.811 1.442 -3.387 493 2HD LYS 61 1HD LYS 61 1.423 2.089 -2.510 494 1HE LYS 61 2HE LYS 61 2.399 4.425 -3.274 495 2HE LYS 61 1HE LYS 61 3.177 3.449 -4.535 496 1HZ LYS 61 1HZ LYS 61 1.046 2.467 -5.065 497 2HZ LYS 61 2HZ LYS 61 0.942 4.158 -5.196 498 3HZ LYS 61 3HZ LYS 61 0.286 3.365 -3.844 499 H ALA 62 H ALA 62 3.471 1.303 1.978 500 HA ALA 62 HA ALA 62 2.937 4.078 2.624 501 1HB ALA 62 1HB ALA 62 2.448 1.372 3.822 502 2HB ALA 62 2HB ALA 62 1.280 2.581 3.289 503 3HB ALA 62 3HB ALA 62 2.149 2.804 4.808 504 H ALA 63 H ALA 63 5.666 2.085 3.224 505 HA ALA 63 HA ALA 63 6.419 3.536 5.709 506 1HB ALA 63 1HB ALA 63 7.814 1.301 4.209 507 2HB ALA 63 2HB ALA 63 6.578 1.033 5.437 508 3HB ALA 63 3HB ALA 63 8.104 1.800 5.876 509 H LYS 64 H LYS 64 6.648 4.197 2.472 510 HA LYS 64 HA LYS 64 9.444 5.242 2.611 511 1HB LYS 64 2HB LYS 64 7.486 4.703 0.355 512 2HB LYS 64 1HB LYS 64 9.077 5.423 0.117 513 1HG LYS 64 2HG LYS 64 8.702 2.777 1.529 514 2HG LYS 64 1HG LYS 64 8.919 2.887 -0.218 515 1HD LYS 64 2HD LYS 64 11.136 2.756 0.291 516 2HD LYS 64 1HD LYS 64 10.963 4.475 0.643 517 1HE LYS 64 2HE LYS 64 11.840 3.829 2.679 518 2HE LYS 64 1HE LYS 64 10.148 3.416 3.018 519 1HZ LYS 64 1HZ LYS 64 11.647 1.526 3.404 520 2HZ LYS 64 2HZ LYS 64 12.130 1.583 1.776 521 3HZ LYS 64 3HZ LYS 64 10.523 1.203 2.176 522 H LEU 65 H LEU 65 6.094 6.146 1.862 523 HA LEU 65 HA LEU 65 6.730 8.969 1.447 524 1HB LEU 65 2HB LEU 65 4.300 9.135 1.161 525 2HB LEU 65 1HB LEU 65 4.888 7.700 0.327 526 HG LEU 65 HG LEU 65 4.377 6.626 2.755 527 1HD1 LEU 65 1HD1 LEU 65 1.990 8.389 2.486 528 2HD1 LEU 65 2HD1 LEU 65 3.434 9.106 3.201 529 3HD1 LEU 65 3HD1 LEU 65 2.706 7.676 3.932 530 1HD2 LEU 65 1HD2 LEU 65 2.258 7.114 0.633 531 2HD2 LEU 65 2HD2 LEU 65 2.314 5.768 1.772 532 3HD2 LEU 65 3HD2 LEU 65 3.531 5.901 0.503 533 H LYS 66 H LYS 66 6.655 7.133 4.255 534 HA LYS 66 HA LYS 66 5.327 9.162 5.949 535 1HB LYS 66 2HB LYS 66 5.147 6.592 6.112 536 2HB LYS 66 1HB LYS 66 6.783 6.639 6.769 537 1HG LYS 66 2HG LYS 66 6.123 7.824 8.682 538 2HG LYS 66 1HG LYS 66 4.643 8.412 7.923 539 1HD LYS 66 2HD LYS 66 3.957 6.702 9.446 540 2HD LYS 66 1HD LYS 66 3.876 5.978 7.839 541 1HE LYS 66 2HE LYS 66 6.305 5.177 8.291 542 2HE LYS 66 1HE LYS 66 5.947 5.532 9.993 543 1HZ LYS 66 1HZ LYS 66 4.319 3.816 8.192 544 2HZ LYS 66 2HZ LYS 66 3.931 4.196 9.802 545 3HZ LYS 66 3HZ LYS 66 5.309 3.265 9.454 546 H GLU 67 H GLU 67 8.521 8.205 4.887 547 HA GLU 67 HA GLU 67 9.938 9.507 7.113 548 1HB GLU 67 2HB GLU 67 10.659 8.179 4.495 549 2HB GLU 67 1HB GLU 67 11.881 8.985 5.480 550 1HG GLU 67 2HG GLU 67 11.042 7.563 7.432 551 2HG GLU 67 1HG GLU 67 10.152 6.622 6.235 552 H LYS 68 H LYS 68 8.444 10.522 4.186 553 HA LYS 68 HA LYS 68 10.159 12.963 3.993 554 1HB LYS 68 2HB LYS 68 9.160 11.159 2.116 555 2HB LYS 68 1HB LYS 68 8.059 12.530 1.982 556 1HG LYS 68 2HG LYS 68 10.128 14.016 1.861 557 2HG LYS 68 1HG LYS 68 11.067 12.535 1.661 558 1HD LYS 68 2HD LYS 68 10.634 13.179 -0.557 559 2HD LYS 68 1HD LYS 68 9.367 11.992 -0.239 560 1HE LYS 68 2HE LYS 68 7.699 13.640 -0.025 561 2HE LYS 68 1HE LYS 68 8.882 14.926 0.291 562 1HZ LYS 68 1HZ LYS 68 8.102 15.018 -2.001 563 2HZ LYS 68 2HZ LYS 68 8.603 13.415 -2.255 564 3HZ LYS 68 3HZ LYS 68 9.752 14.629 -1.945 565 H TYR 69 H TYR 69 6.904 11.770 4.600 566 HA TYR 69 HA TYR 69 5.589 14.371 4.583 567 1HB TYR 69 2HB TYR 69 4.275 12.444 4.115 568 2HB TYR 69 1HB TYR 69 4.960 11.544 5.460 569 HD1 TYR 69 1HD TYR 69 3.444 14.977 5.287 570 HD2 TYR 69 2HD TYR 69 3.230 11.017 6.932 571 HE1 TYR 69 1HE TYR 69 1.553 15.677 6.730 572 HE2 TYR 69 2HE TYR 69 1.341 11.718 8.377 573 HH TYR 69 HH TYR 69 -0.503 13.634 8.188 574 H GLU 70 H GLU 70 6.507 12.099 7.202 575 HA GLU 70 HA GLU 70 5.821 13.709 9.420 576 1HB GLU 70 2HB GLU 70 7.833 11.539 8.873 577 2HB GLU 70 1HB GLU 70 7.760 12.291 10.467 578 1HG GLU 70 2HG GLU 70 5.292 11.207 9.101 579 2HG GLU 70 1HG GLU 70 6.317 10.193 10.118 580 H LYS 71 H LYS 71 8.494 14.105 7.203 581 HA LYS 71 HA LYS 71 9.867 15.958 9.106 582 1HB LYS 71 2HB LYS 71 10.635 14.382 6.656 583 2HB LYS 71 1HB LYS 71 11.635 15.734 7.190 584 1HG LYS 71 2HG LYS 71 11.972 14.715 9.357 585 2HG LYS 71 1HG LYS 71 10.810 13.441 8.990 586 1HD LYS 71 2HD LYS 71 12.350 12.901 6.975 587 2HD LYS 71 1HD LYS 71 13.558 13.866 7.827 588 1HE LYS 71 2HE LYS 71 13.743 12.338 9.575 589 2HE LYS 71 1HE LYS 71 12.096 11.717 9.340 590 1HZ LYS 71 1HZ LYS 71 14.334 11.382 7.413 591 2HZ LYS 71 2HZ LYS 71 12.766 10.749 7.251 592 3HZ LYS 71 3HZ LYS 71 13.792 10.181 8.480 593 H ASP 72 H ASP 72 8.220 15.819 5.985 594 HA ASP 72 HA ASP 72 8.979 18.570 5.254 595 1HB ASP 72 2HB ASP 72 8.703 16.652 3.659 596 2HB ASP 72 1HB ASP 72 6.979 16.645 4.032 597 H ILE 73 H ILE 73 6.046 16.865 6.380 598 HA ILE 73 HA ILE 73 4.226 19.045 6.117 599 HB ILE 73 HB ILE 73 3.740 16.598 6.517 600 1HG1 ILE 73 2HG1 ILE 73 1.838 17.127 8.186 601 2HG1 ILE 73 1HG1 ILE 73 2.469 18.775 8.172 602 1HG2 ILE 73 1HG2 ILE 73 5.422 16.630 8.554 603 2HG2 ILE 73 2HG2 ILE 73 3.996 15.593 8.600 604 3HG2 ILE 73 3HG2 ILE 73 3.994 17.133 9.459 605 1HD1 ILE 73 1HD1 ILE 73 1.851 17.304 5.608 606 2HD1 ILE 73 2HD1 ILE 73 2.043 19.039 5.855 607 3HD1 ILE 73 3HD1 ILE 73 0.610 18.214 6.469 608 H ALA 74 H ALA 74 6.762 18.497 8.444 609 HA ALA 74 HA ALA 74 5.780 20.010 10.663 610 1HB ALA 74 1HB ALA 74 7.722 18.577 10.829 611 2HB ALA 74 2HB ALA 74 8.267 20.227 11.129 612 3HB ALA 74 3HB ALA 74 8.555 19.475 9.559 613 H ALA 75 H ALA 75 7.469 20.975 7.694 614 HA ALA 75 HA ALA 75 7.480 23.825 8.524 615 1HB ALA 75 1HB ALA 75 8.548 22.270 6.149 616 2HB ALA 75 2HB ALA 75 9.478 22.911 7.504 617 3HB ALA 75 3HB ALA 75 8.745 24.013 6.340 618 H TYR 76 H TYR 76 5.760 21.618 6.402 619 HA TYR 76 HA TYR 76 4.571 23.508 4.605 620 1HB TYR 76 2HB TYR 76 4.666 20.980 4.448 621 2HB TYR 76 1HB TYR 76 3.398 20.922 5.674 622 HD1 TYR 76 1HD TYR 76 1.118 21.463 5.148 623 HD2 TYR 76 2HD TYR 76 4.220 22.044 2.234 624 HE1 TYR 76 1HE TYR 76 -0.598 21.829 3.394 625 HE2 TYR 76 2HE TYR 76 2.505 22.409 0.481 626 HH TYR 76 HH TYR 76 -0.446 23.240 0.943 627 H ARG 77 H ARG 77 3.782 22.541 7.899 628 HA ARG 77 HA ARG 77 1.130 23.777 7.913 629 1HB ARG 77 2HB ARG 77 3.018 22.503 9.878 630 2HB ARG 77 1HB ARG 77 1.612 23.383 10.475 631 1HG ARG 77 2HG ARG 77 0.102 21.963 9.254 632 2HG ARG 77 1HG ARG 77 1.434 21.205 8.380 633 1HD ARG 77 2HD ARG 77 2.230 20.100 10.359 634 2HD ARG 77 1HD ARG 77 1.157 21.059 11.399 635 HE ARG 77 HE ARG 77 0.171 19.066 9.392 636 1HH1 ARG 77 1HH1 ARG 77 -1.435 21.422 10.779 637 2HH1 ARG 77 2HH1 ARG 77 -2.342 20.491 11.925 638 1HH2 ARG 77 1HH2 ARG 77 -0.424 17.631 11.520 639 2HH2 ARG 77 2HH2 ARG 77 -1.769 18.345 12.345 640 H ALA 78 H ALA 78 3.818 24.511 10.142 641 HA ALA 78 HA ALA 78 4.577 26.569 11.014 642 1HB ALA 78 1HB ALA 78 5.155 28.139 9.324 643 2HB ALA 78 2HB ALA 78 3.780 27.682 8.319 644 3HB ALA 78 3HB ALA 78 5.149 26.583 8.493 645 H LYS 79 H LYS 79 1.936 26.002 11.744 646 HA LYS 79 HA LYS 79 0.742 28.742 11.799 647 1HB LYS 79 2HB LYS 79 -1.470 27.682 11.425 648 2HB LYS 79 1HB LYS 79 -0.376 27.388 10.076 649 1HG LYS 79 2HG LYS 79 0.104 25.267 11.853 650 2HG LYS 79 1HG LYS 79 -1.646 25.475 11.871 651 1HD LYS 79 2HD LYS 79 -0.089 25.373 9.284 652 2HD LYS 79 1HD LYS 79 -0.680 23.910 10.069 653 1HE LYS 79 2HE LYS 79 -2.980 25.185 10.132 654 2HE LYS 79 1HE LYS 79 -2.258 26.151 8.828 655 1HZ LYS 79 1HZ LYS 79 -1.689 24.104 7.674 656 2HZ LYS 79 2HZ LYS 79 -3.366 24.188 7.937 657 3HZ LYS 79 3HZ LYS 79 -2.399 23.182 8.908 Start of MODEL 2 1 1H MET 1 1HT MET 1 -11.155 14.058 -3.949 2 2H MET 1 2HT MET 1 -10.971 14.135 -2.262 3 3H MET 1 3HT MET 1 -11.834 12.852 -2.968 4 HA MET 1 HA MET 1 -9.624 12.111 -2.295 5 1HB MET 1 2HB MET 1 -11.013 11.556 -4.497 6 2HB MET 1 1HB MET 1 -9.626 12.308 -5.286 7 1HG MET 1 2HG MET 1 -8.104 10.750 -4.176 8 2HG MET 1 1HG MET 1 -9.449 10.036 -3.285 9 1HE MET 1 1HE MET 1 -7.213 8.614 -5.620 10 2HE MET 1 2HE MET 1 -8.356 7.280 -5.741 11 3HE MET 1 3HE MET 1 -8.079 8.055 -4.183 12 H LYS 2 H LYS 2 -7.308 12.293 -2.671 13 HA LYS 2 HA LYS 2 -5.297 13.498 -2.854 14 1HB LYS 2 2HB LYS 2 -6.979 14.251 -5.203 15 2HB LYS 2 1HB LYS 2 -5.526 15.207 -4.915 16 1HG LYS 2 2HG LYS 2 -4.557 13.533 -6.148 17 2HG LYS 2 1HG LYS 2 -4.491 12.743 -4.573 18 1HD LYS 2 2HD LYS 2 -5.549 11.070 -5.745 19 2HD LYS 2 1HD LYS 2 -6.971 12.006 -5.285 20 1HE LYS 2 2HE LYS 2 -6.141 13.275 -7.607 21 2HE LYS 2 1HE LYS 2 -5.813 11.562 -7.940 22 1HZ LYS 2 1HZ LYS 2 -8.123 12.143 -8.446 23 2HZ LYS 2 2HZ LYS 2 -8.355 12.637 -6.837 24 3HZ LYS 2 3HZ LYS 2 -8.031 11.008 -7.188 25 H LYS 3 H LYS 3 -7.272 16.235 -3.981 26 HA LYS 3 HA LYS 3 -7.546 18.396 -3.072 27 1HB LYS 3 2HB LYS 3 -8.717 16.670 -1.458 28 2HB LYS 3 1HB LYS 3 -7.405 17.101 -0.360 29 1HG LYS 3 2HG LYS 3 -8.019 19.539 -0.791 30 2HG LYS 3 1HG LYS 3 -9.482 18.937 -1.572 31 1HD LYS 3 2HD LYS 3 -9.938 17.627 0.562 32 2HD LYS 3 1HD LYS 3 -8.639 18.556 1.308 33 1HE LYS 3 2HE LYS 3 -9.909 20.654 0.465 34 2HE LYS 3 1HE LYS 3 -11.287 19.556 0.254 35 1HZ LYS 3 1HZ LYS 3 -9.696 19.869 2.745 36 2HZ LYS 3 2HZ LYS 3 -11.011 18.815 2.534 37 3HZ LYS 3 3HZ LYS 3 -11.252 20.496 2.492 38 H LYS 4 H LYS 4 -4.833 17.638 -3.604 39 HA LYS 4 HA LYS 4 -3.427 19.563 -1.949 40 1HB LYS 4 2HB LYS 4 -3.338 16.644 -1.441 41 2HB LYS 4 1HB LYS 4 -1.773 17.453 -1.452 42 1HG LYS 4 2HG LYS 4 -3.119 19.222 0.046 43 2HG LYS 4 1HG LYS 4 -4.060 17.781 0.431 44 1HD LYS 4 2HD LYS 4 -2.220 16.669 1.366 45 2HD LYS 4 1HD LYS 4 -1.054 17.690 0.522 46 1HE LYS 4 2HE LYS 4 -0.995 18.504 2.751 47 2HE LYS 4 1HE LYS 4 -2.094 19.634 1.935 48 1HZ LYS 4 1HZ LYS 4 -3.956 18.216 2.598 49 2HZ LYS 4 2HZ LYS 4 -3.114 18.799 3.954 50 3HZ LYS 4 3HZ LYS 4 -2.892 17.196 3.439 51 H ASP 5 H ASP 5 -0.821 18.872 -2.481 52 HA ASP 5 HA ASP 5 -0.738 18.625 -5.473 53 1HB ASP 5 2HB ASP 5 0.404 20.555 -3.510 54 2HB ASP 5 1HB ASP 5 1.425 20.128 -4.884 55 HA PRO 6 HA PRO 6 2.293 15.475 -4.912 56 1HB PRO 6 2HB PRO 6 4.091 15.966 -6.914 57 2HB PRO 6 1HB PRO 6 2.473 15.297 -7.209 58 1HG PRO 6 2HG PRO 6 3.461 18.084 -7.544 59 2HG PRO 6 1HG PRO 6 2.334 17.156 -8.547 60 1HD PRO 6 2HD PRO 6 1.546 19.056 -6.755 61 2HD PRO 6 1HD PRO 6 0.535 17.675 -7.235 62 H ASN 7 H ASN 7 3.314 18.812 -4.827 63 HA ASN 7 HA ASN 7 6.060 18.282 -3.961 64 1HB ASN 7 2HB ASN 7 4.235 20.693 -4.099 65 2HB ASN 7 1HB ASN 7 5.886 20.799 -3.486 66 1HD2 ASN 7 1HD2 ASN 7 4.059 21.049 -6.316 67 2HD2 ASN 7 2HD2 ASN 7 5.305 20.816 -7.445 68 H ALA 8 H ALA 8 2.936 18.848 -2.422 69 HA ALA 8 HA ALA 8 4.162 19.084 0.265 70 1HB ALA 8 1HB ALA 8 1.891 19.643 0.924 71 2HB ALA 8 2HB ALA 8 1.256 19.033 -0.604 72 3HB ALA 8 3HB ALA 8 2.245 20.493 -0.579 73 HA PRO 9 HA PRO 9 3.604 14.698 0.860 74 1HB PRO 9 2HB PRO 9 4.043 14.581 3.554 75 2HB PRO 9 1HB PRO 9 5.350 14.782 2.373 76 1HG PRO 9 2HG PRO 9 4.036 16.808 4.103 77 2HG PRO 9 1HG PRO 9 5.733 16.661 3.621 78 1HD PRO 9 2HD PRO 9 3.963 18.429 2.499 79 2HD PRO 9 1HD PRO 9 5.408 17.805 1.674 80 H LYS 10 H LYS 10 1.322 14.552 0.455 81 HA LYS 10 HA LYS 10 -0.733 15.490 2.200 82 1HB LYS 10 2HB LYS 10 -2.136 13.915 0.881 83 2HB LYS 10 1HB LYS 10 -1.064 14.856 -0.154 84 1HG LYS 10 2HG LYS 10 0.283 12.445 0.721 85 2HG LYS 10 1HG LYS 10 -1.268 12.034 -0.006 86 1HD LYS 10 2HD LYS 10 -0.718 13.151 -2.048 87 2HD LYS 10 1HD LYS 10 0.695 13.922 -1.325 88 1HE LYS 10 2HE LYS 10 0.524 10.916 -1.360 89 2HE LYS 10 1HE LYS 10 1.047 11.785 -2.817 90 1HZ LYS 10 1HZ LYS 10 2.921 11.300 -1.335 91 2HZ LYS 10 2HZ LYS 10 2.168 12.180 -0.091 92 3HZ LYS 10 3HZ LYS 10 2.678 12.970 -1.505 93 H ARG 11 H ARG 11 -2.351 13.371 2.861 94 HA ARG 11 HA ARG 11 -1.283 12.392 5.308 95 1HB ARG 11 2HB ARG 11 -3.678 12.138 3.660 96 2HB ARG 11 1HB ARG 11 -3.301 10.617 4.466 97 1HG ARG 11 2HG ARG 11 -4.665 11.805 6.009 98 2HG ARG 11 1HG ARG 11 -3.019 12.011 6.607 99 1HD ARG 11 2HD ARG 11 -2.941 14.200 5.290 100 2HD ARG 11 1HD ARG 11 -4.693 14.018 5.074 101 HE ARG 11 HE ARG 11 -4.626 13.701 7.698 102 1HH1 ARG 11 1HH2 ARG 11 -1.678 14.824 6.985 103 2HH1 ARG 11 2HH2 ARG 11 -1.844 16.395 7.697 104 1HH2 ARG 11 1HH1 ARG 11 -5.277 16.135 8.108 105 2HH2 ARG 11 2HH1 ARG 11 -3.882 17.137 8.333 106 HA PRO 12 HA PRO 12 1.154 9.032 3.677 107 1HB PRO 12 2HB PRO 12 1.741 7.766 6.027 108 2HB PRO 12 1HB PRO 12 2.536 9.267 5.518 109 1HG PRO 12 2HG PRO 12 0.381 8.850 7.509 110 2HG PRO 12 1HG PRO 12 1.708 10.020 7.501 111 1HD PRO 12 2HD PRO 12 -0.909 10.595 6.832 112 2HD PRO 12 1HD PRO 12 0.503 11.556 6.341 113 HA PRO 13 HA PRO 13 -2.078 5.947 3.655 114 1HB PRO 13 2HB PRO 13 -0.920 4.167 1.937 115 2HB PRO 13 1HB PRO 13 -1.656 5.691 1.401 116 1HG PRO 13 2HG PRO 13 1.194 4.971 1.681 117 2HG PRO 13 1HG PRO 13 0.414 6.100 0.566 118 1HD PRO 13 2HD PRO 13 1.821 6.777 2.886 119 2HD PRO 13 1HD PRO 13 0.748 7.847 1.963 120 H SER 14 H SER 14 -1.812 3.236 3.616 121 HA SER 14 HA SER 14 0.343 2.306 5.375 122 1HB SER 14 2HB SER 14 -2.333 3.159 6.337 123 2HB SER 14 1HB SER 14 -1.728 1.645 7.001 124 HG SER 14 HG SER 14 -0.850 4.236 7.357 125 H ALA 15 H ALA 15 -0.045 1.163 3.014 126 HA ALA 15 HA ALA 15 -0.425 -0.887 1.967 127 1HB ALA 15 1HB ALA 15 0.048 -2.510 3.460 128 2HB ALA 15 2HB ALA 15 -1.587 -2.406 4.107 129 3HB ALA 15 3HB ALA 15 -0.307 -1.398 4.780 130 H PHE 16 H PHE 16 -3.096 -1.152 4.347 131 HA PHE 16 HA PHE 16 -5.113 -1.986 2.655 132 1HB PHE 16 2HB PHE 16 -4.990 -1.509 5.206 133 2HB PHE 16 1HB PHE 16 -5.585 0.096 4.783 134 HD1 PHE 16 1HD PHE 16 -7.887 0.428 4.733 135 HD2 PHE 16 2HD PHE 16 -6.323 -3.506 4.006 136 HE1 PHE 16 1HE PHE 16 -10.197 -0.462 4.571 137 HE2 PHE 16 2HE PHE 16 -8.633 -4.395 3.844 138 HZ PHE 16 HZ PHE 16 -10.569 -2.873 4.127 139 H PHE 17 H PHE 17 -4.476 1.459 3.436 140 HA PHE 17 HA PHE 17 -6.439 2.610 1.735 141 1HB PHE 17 2HB PHE 17 -4.757 3.562 3.541 142 2HB PHE 17 1HB PHE 17 -3.735 3.862 2.134 143 HD1 PHE 17 1HD PHE 17 -6.740 4.854 3.945 144 HD2 PHE 17 2HD PHE 17 -4.550 5.322 0.279 145 HE1 PHE 17 1HE PHE 17 -8.069 6.878 3.408 146 HE2 PHE 17 2HE PHE 17 -5.878 7.346 -0.257 147 HZ PHE 17 HZ PHE 17 -7.638 8.124 1.308 148 H LEU 18 H LEU 18 -3.163 1.447 1.016 149 HA LEU 18 HA LEU 18 -2.993 2.546 -1.652 150 1HB LEU 18 2HB LEU 18 -1.638 0.106 -0.450 151 2HB LEU 18 1HB LEU 18 -1.067 1.044 -1.824 152 HG LEU 18 HG LEU 18 -1.284 1.999 1.050 153 1HD1 LEU 18 1HD1 LEU 18 1.167 1.819 -0.699 154 2HD1 LEU 18 2HD1 LEU 18 0.634 0.467 0.300 155 3HD1 LEU 18 3HD1 LEU 18 1.085 1.996 1.053 156 1HD2 LEU 18 1HD2 LEU 18 -1.706 3.978 -0.106 157 2HD2 LEU 18 2HD2 LEU 18 -0.841 3.439 -1.545 158 3HD2 LEU 18 3HD2 LEU 18 0.058 3.976 -0.125 159 H PHE 19 H PHE 19 -4.099 -0.566 -0.329 160 HA PHE 19 HA PHE 19 -4.542 -1.793 -2.939 161 1HB PHE 19 2HB PHE 19 -4.012 -2.965 -0.780 162 2HB PHE 19 1HB PHE 19 -5.610 -2.510 -0.191 163 HD1 PHE 19 1HD PHE 19 -7.647 -3.472 -1.181 164 HD2 PHE 19 2HD PHE 19 -3.736 -4.658 -2.503 165 HE1 PHE 19 1HE PHE 19 -8.630 -5.441 -2.323 166 HE2 PHE 19 2HE PHE 19 -4.718 -6.628 -3.644 167 HZ PHE 19 HZ PHE 19 -7.166 -7.020 -3.554 168 H CYS 20 H CYS 20 -6.773 -0.687 -0.358 169 HA CYS 20 HA CYS 20 -9.210 -1.028 -1.766 170 1HB CYS 20 2HB CYS 20 -8.161 0.417 0.576 171 2HB CYS 20 1HB CYS 20 -9.576 1.189 -0.133 172 HG CYS 20 HG CYS 20 -9.816 -1.852 0.410 173 H SER 21 H SER 21 -7.284 1.969 -1.429 174 HA SER 21 HA SER 21 -8.848 3.615 -3.142 175 1HB SER 21 2HB SER 21 -7.049 4.311 -1.546 176 2HB SER 21 1HB SER 21 -5.851 3.662 -2.662 177 HG SER 21 HG SER 21 -6.222 5.275 -4.014 178 H GLU 22 H GLU 22 -6.687 1.008 -3.960 179 HA GLU 22 HA GLU 22 -6.530 1.946 -6.792 180 1HB GLU 22 2HB GLU 22 -4.950 0.083 -5.054 181 2HB GLU 22 1HB GLU 22 -4.773 0.045 -6.804 182 1HG GLU 22 2HG GLU 22 -4.472 2.553 -5.130 183 2HG GLU 22 1HG GLU 22 -3.118 1.552 -5.652 184 H TYR 23 H TYR 23 -8.189 -0.341 -4.811 185 HA TYR 23 HA TYR 23 -8.630 -2.207 -7.092 186 1HB TYR 23 2HB TYR 23 -8.677 -2.282 -4.140 187 2HB TYR 23 1HB TYR 23 -9.964 -3.211 -4.909 188 HD1 TYR 23 1HD TYR 23 -6.279 -2.581 -5.258 189 HD2 TYR 23 2HD TYR 23 -9.507 -5.397 -5.580 190 HE1 TYR 23 1HE TYR 23 -4.659 -4.374 -5.816 191 HE2 TYR 23 2HE TYR 23 -7.885 -7.191 -6.135 192 HH TYR 23 HH TYR 23 -5.291 -7.032 -7.272 193 H ARG 24 H ARG 24 -10.378 0.038 -4.970 194 HA ARG 24 HA ARG 24 -13.038 -0.562 -5.462 195 1HB ARG 24 2HB ARG 24 -11.636 2.113 -5.293 196 2HB ARG 24 1HB ARG 24 -13.383 1.903 -5.188 197 1HG ARG 24 2HG ARG 24 -13.257 0.736 -3.158 198 2HG ARG 24 1HG ARG 24 -11.561 0.315 -3.397 199 1HD ARG 24 2HD ARG 24 -10.844 2.563 -2.934 200 2HD ARG 24 1HD ARG 24 -12.510 3.172 -3.004 201 HE ARG 24 HE ARG 24 -11.781 1.101 -0.979 202 1HH1 ARG 24 1HH1 ARG 24 -14.518 2.274 -1.012 203 2HH1 ARG 24 2HH1 ARG 24 -14.403 3.523 0.184 204 1HH2 ARG 24 1HH2 ARG 24 -10.935 3.557 0.200 205 2HH2 ARG 24 2HH2 ARG 24 -12.376 4.250 0.869 206 HA PRO 25 HA PRO 25 -13.039 2.117 -9.524 207 1HB PRO 25 2HB PRO 25 -10.620 2.289 -10.822 208 2HB PRO 25 1HB PRO 25 -11.235 3.534 -9.715 209 1HG PRO 25 2HG PRO 25 -9.316 1.306 -9.169 210 2HG PRO 25 1HG PRO 25 -9.214 3.015 -8.704 211 1HD PRO 25 2HD PRO 25 -9.991 1.196 -6.946 212 2HD PRO 25 1HD PRO 25 -10.789 2.782 -6.997 213 H LYS 26 H LYS 26 -10.954 -0.654 -9.003 214 HA LYS 26 HA LYS 26 -11.250 -1.858 -11.631 215 1HB LYS 26 2HB LYS 26 -9.548 -2.317 -9.740 216 2HB LYS 26 1HB LYS 26 -10.842 -3.245 -8.975 217 1HG LYS 26 2HG LYS 26 -10.138 -3.773 -11.849 218 2HG LYS 26 1HG LYS 26 -9.148 -4.472 -10.567 219 1HD LYS 26 2HD LYS 26 -11.401 -5.260 -9.548 220 2HD LYS 26 1HD LYS 26 -12.069 -4.937 -11.148 221 1HE LYS 26 2HE LYS 26 -10.780 -6.612 -12.170 222 2HE LYS 26 1HE LYS 26 -9.574 -6.609 -10.868 223 1HZ LYS 26 1HZ LYS 26 -12.416 -7.417 -10.547 224 2HZ LYS 26 2HZ LYS 26 -11.212 -7.472 -9.350 225 3HZ LYS 26 3HZ LYS 26 -11.119 -8.500 -10.698 226 H ILE 27 H ILE 27 -12.851 -2.252 -8.487 227 HA ILE 27 HA ILE 27 -14.729 -4.280 -9.140 228 HB ILE 27 HB ILE 27 -14.951 -1.879 -7.281 229 1HG1 ILE 27 2HG1 ILE 27 -12.946 -3.217 -6.803 230 2HG1 ILE 27 1HG1 ILE 27 -14.141 -3.441 -5.535 231 1HG2 ILE 27 1HG2 ILE 27 -16.442 -4.518 -7.309 232 2HG2 ILE 27 2HG2 ILE 27 -17.125 -2.917 -7.594 233 3HG2 ILE 27 3HG2 ILE 27 -16.512 -3.342 -5.995 234 1HD1 ILE 27 1HD1 ILE 27 -13.308 -5.616 -6.064 235 2HD1 ILE 27 2HD1 ILE 27 -13.478 -5.331 -7.797 236 3HD1 ILE 27 3HD1 ILE 27 -14.914 -5.509 -6.789 237 H LYS 28 H LYS 28 -14.730 -0.823 -9.794 238 HA LYS 28 HA LYS 28 -17.553 -0.616 -10.390 239 1HB LYS 28 2HB LYS 28 -15.446 1.237 -11.501 240 2HB LYS 28 1HB LYS 28 -17.064 1.622 -10.931 241 1HG LYS 28 2HG LYS 28 -14.568 1.120 -9.355 242 2HG LYS 28 1HG LYS 28 -15.647 2.491 -9.264 243 1HD LYS 28 2HD LYS 28 -16.146 -0.307 -8.186 244 2HD LYS 28 1HD LYS 28 -15.919 1.169 -7.259 245 1HE LYS 28 2HE LYS 28 -18.182 0.904 -9.260 246 2HE LYS 28 1HE LYS 28 -18.356 0.410 -7.565 247 1HZ LYS 28 1HZ LYS 28 -17.507 2.611 -6.915 248 2HZ LYS 28 2HZ LYS 28 -18.969 2.714 -7.775 249 3HZ LYS 28 3HZ LYS 28 -17.500 3.081 -8.546 250 H SER 29 H SER 29 -14.680 -1.297 -12.343 251 HA SER 29 HA SER 29 -15.923 -0.998 -14.926 252 1HB SER 29 2HB SER 29 -13.460 -1.080 -14.337 253 2HB SER 29 1HB SER 29 -13.638 -2.817 -14.107 254 HG SER 29 HG SER 29 -13.990 -3.076 -16.222 255 H GLU 30 H GLU 30 -15.992 -3.558 -12.537 256 HA GLU 30 HA GLU 30 -17.368 -5.359 -14.500 257 1HB GLU 30 2HB GLU 30 -15.476 -5.721 -12.212 258 2HB GLU 30 1HB GLU 30 -16.632 -7.010 -12.538 259 1HG GLU 30 2HG GLU 30 -15.775 -6.541 -15.056 260 2HG GLU 30 1HG GLU 30 -14.325 -6.082 -14.163 261 H HIS 31 H HIS 31 -17.795 -3.504 -11.620 262 HA HIS 31 HA HIS 31 -20.445 -4.837 -11.183 263 1HB HIS 31 2HB HIS 31 -18.631 -3.710 -9.023 264 2HB HIS 31 1HB HIS 31 -20.118 -4.616 -8.787 265 HD1 HIS 31 1HD HIS 31 -16.504 -5.033 -9.623 266 HD2 HIS 31 2HD HIS 31 -19.886 -7.441 -9.254 267 HE1 HIS 31 1HE HIS 31 -15.677 -7.424 -9.585 268 HA PRO 32 HA PRO 32 -21.107 -0.375 -11.893 269 1HB PRO 32 2HB PRO 32 -23.562 -0.647 -13.071 270 2HB PRO 32 1HB PRO 32 -22.037 -0.808 -13.958 271 1HG PRO 32 2HG PRO 32 -23.890 -2.908 -12.993 272 2HG PRO 32 1HG PRO 32 -22.879 -2.868 -14.446 273 1HD PRO 32 2HD PRO 32 -22.285 -4.275 -12.150 274 2HD PRO 32 1HD PRO 32 -21.101 -3.784 -13.378 275 H GLY 33 H GLY 33 -23.448 -2.766 -10.699 276 1HA GLY 33 2HA GLY 33 -25.056 -0.846 -9.247 277 2HA GLY 33 1HA GLY 33 -25.107 -2.596 -9.048 278 H LEU 34 H LEU 34 -22.089 -2.535 -8.583 279 HA LEU 34 HA LEU 34 -21.978 -2.725 -5.791 280 1HB LEU 34 2HB LEU 34 -20.203 -2.668 -8.056 281 2HB LEU 34 1HB LEU 34 -19.474 -1.741 -6.755 282 HG LEU 34 HG LEU 34 -18.876 -4.184 -6.734 283 1HD1 LEU 34 1HD1 LEU 34 -18.547 -3.112 -4.685 284 2HD1 LEU 34 2HD1 LEU 34 -19.597 -4.461 -4.250 285 3HD1 LEU 34 3HD1 LEU 34 -20.272 -2.842 -4.436 286 1HD2 LEU 34 1HD2 LEU 34 -21.472 -4.675 -7.313 287 2HD2 LEU 34 2HD2 LEU 34 -21.532 -4.846 -5.559 288 3HD2 LEU 34 3HD2 LEU 34 -20.438 -5.854 -6.506 289 H SER 35 H SER 35 -23.189 -0.882 -4.921 290 HA SER 35 HA SER 35 -22.252 1.860 -5.288 291 1HB SER 35 2HB SER 35 -24.022 0.639 -3.145 292 2HB SER 35 1HB SER 35 -23.967 2.335 -3.617 293 HG SER 35 HG SER 35 -25.393 0.344 -4.675 294 H ILE 36 H ILE 36 -21.628 3.144 -3.206 295 HA ILE 36 HA ILE 36 -19.159 2.214 -2.158 296 HB ILE 36 HB ILE 36 -21.176 4.199 -1.050 297 1HG1 ILE 36 2HG1 ILE 36 -20.429 4.710 -3.349 298 2HG1 ILE 36 1HG1 ILE 36 -19.765 5.873 -2.207 299 1HG2 ILE 36 1HG2 ILE 36 -19.072 5.207 -0.006 300 2HG2 ILE 36 2HG2 ILE 36 -18.267 3.685 -0.388 301 3HG2 ILE 36 3HG2 ILE 36 -19.641 3.702 0.717 302 1HD1 ILE 36 1HD1 ILE 36 -17.665 4.456 -2.130 303 2HD1 ILE 36 2HD1 ILE 36 -17.974 5.231 -3.684 304 3HD1 ILE 36 3HD1 ILE 36 -18.333 3.517 -3.465 305 H GLY 37 H GLY 37 -22.455 1.652 -1.067 306 1HA GLY 37 2HA GLY 37 -21.931 0.815 1.605 307 2HA GLY 37 1HA GLY 37 -23.304 0.277 0.635 308 H ASP 38 H ASP 38 -22.539 -1.314 -1.215 309 HA ASP 38 HA ASP 38 -21.380 -3.633 0.103 310 1HB ASP 38 2HB ASP 38 -23.190 -3.446 -1.740 311 2HB ASP 38 1HB ASP 38 -21.841 -3.257 -2.860 312 H THR 39 H THR 39 -20.182 -1.195 -2.173 313 HA THR 39 HA THR 39 -17.765 -2.567 -2.945 314 HB THR 39 HB THR 39 -18.421 0.393 -2.773 315 HG1 THR 39 1HG THR 39 -19.333 0.135 -4.693 316 1HG2 THR 39 1HG2 THR 39 -16.696 0.587 -4.562 317 2HG2 THR 39 2HG2 THR 39 -16.323 -1.124 -4.352 318 3HG2 THR 39 3HG2 THR 39 -16.021 0.011 -3.036 319 H ALA 40 H ALA 40 -18.598 -0.469 -0.230 320 HA ALA 40 HA ALA 40 -15.892 -0.098 0.738 321 1HB ALA 40 1HB ALA 40 -17.115 0.677 2.777 322 2HB ALA 40 2HB ALA 40 -18.614 0.062 2.078 323 3HB ALA 40 3HB ALA 40 -17.758 1.393 1.299 324 H LYS 41 H LYS 41 -18.394 -2.537 1.258 325 HA LYS 41 HA LYS 41 -16.680 -3.888 3.275 326 1HB LYS 41 2HB LYS 41 -18.718 -5.106 3.841 327 2HB LYS 41 1HB LYS 41 -19.054 -3.379 3.791 328 1HG LYS 41 2HG LYS 41 -19.853 -3.714 1.408 329 2HG LYS 41 1HG LYS 41 -19.724 -5.447 1.684 330 1HD LYS 41 2HD LYS 41 -22.012 -4.782 2.124 331 2HD LYS 41 1HD LYS 41 -21.247 -5.179 3.662 332 1HE LYS 41 2HE LYS 41 -20.708 -2.433 3.279 333 2HE LYS 41 1HE LYS 41 -22.407 -2.653 2.816 334 1HZ LYS 41 1HZ LYS 41 -21.152 -3.695 5.302 335 2HZ LYS 41 2HZ LYS 41 -22.778 -3.892 4.850 336 3HZ LYS 41 3HZ LYS 41 -22.176 -2.346 5.215 337 H LYS 42 H LYS 42 -17.314 -4.083 -0.088 338 HA LYS 42 HA LYS 42 -17.020 -7.011 -0.263 339 1HB LYS 42 2HB LYS 42 -18.507 -5.686 -1.746 340 2HB LYS 42 1HB LYS 42 -17.114 -4.785 -2.334 341 1HG LYS 42 2HG LYS 42 -17.741 -6.557 -3.915 342 2HG LYS 42 1HG LYS 42 -16.153 -6.883 -3.233 343 1HD LYS 42 2HD LYS 42 -16.873 -8.875 -2.458 344 2HD LYS 42 1HD LYS 42 -18.125 -8.071 -1.513 345 1HE LYS 42 2HE LYS 42 -19.591 -9.163 -2.874 346 2HE LYS 42 1HE LYS 42 -19.142 -7.961 -4.099 347 1HZ LYS 42 1HZ LYS 42 -18.736 -10.159 -4.965 348 2HZ LYS 42 2HZ LYS 42 -17.798 -10.567 -3.608 349 3HZ LYS 42 3HZ LYS 42 -17.249 -9.387 -4.700 350 H LEU 43 H LEU 43 -14.870 -4.591 0.429 351 HA LEU 43 HA LEU 43 -12.676 -5.649 -1.296 352 1HB LEU 43 2HB LEU 43 -13.265 -3.143 0.242 353 2HB LEU 43 1HB LEU 43 -11.578 -3.569 -0.047 354 HG LEU 43 HG LEU 43 -13.586 -3.576 -2.295 355 1HD1 LEU 43 1HD1 LEU 43 -13.641 -1.342 -1.202 356 2HD1 LEU 43 2HD1 LEU 43 -12.928 -1.273 -2.813 357 3HD1 LEU 43 3HD1 LEU 43 -11.890 -1.229 -1.388 358 1HD2 LEU 43 1HD2 LEU 43 -10.574 -3.275 -2.095 359 2HD2 LEU 43 2HD2 LEU 43 -11.485 -3.123 -3.598 360 3HD2 LEU 43 3HD2 LEU 43 -11.455 -4.662 -2.736 361 H GLY 44 H GLY 44 -13.722 -5.232 2.056 362 1HA GLY 44 2HA GLY 44 -11.279 -6.142 3.289 363 2HA GLY 44 1HA GLY 44 -12.859 -6.080 4.071 364 H GLU 45 H GLU 45 -14.121 -7.758 1.994 365 HA GLU 45 HA GLU 45 -13.867 -10.331 3.162 366 1HB GLU 45 2HB GLU 45 -15.640 -9.276 1.581 367 2HB GLU 45 1HB GLU 45 -14.598 -9.838 0.273 368 1HG GLU 45 2HG GLU 45 -16.048 -11.654 0.554 369 2HG GLU 45 1HG GLU 45 -14.671 -12.125 1.550 370 H MET 46 H MET 46 -12.351 -9.038 0.192 371 HA MET 46 HA MET 46 -10.815 -11.473 -0.316 372 1HB MET 46 2HB MET 46 -10.606 -8.630 -1.370 373 2HB MET 46 1HB MET 46 -9.809 -10.034 -2.079 374 1HG MET 46 2HG MET 46 -11.962 -11.072 -2.557 375 2HG MET 46 1HG MET 46 -12.809 -9.758 -1.739 376 1HE MET 46 1HE MET 46 -13.832 -10.450 -4.355 377 2HE MET 46 2HE MET 46 -12.338 -11.143 -4.979 378 3HE MET 46 3HE MET 46 -13.098 -9.799 -5.827 379 H TRP 47 H TRP 47 -10.002 -8.168 0.792 380 HA TRP 47 HA TRP 47 -7.236 -8.505 1.240 381 1HB TRP 47 2HB TRP 47 -8.566 -6.390 1.336 382 2HB TRP 47 1HB TRP 47 -9.225 -6.909 2.888 383 HD1 TRP 47 HD TRP 47 -7.800 -6.509 4.991 384 HE1 TRP 47 1HE TRP 47 -5.450 -5.545 5.431 385 HE3 TRP 47 3HE TRP 47 -6.052 -6.227 0.201 386 HZ2 TRP 47 2HZ TRP 47 -3.134 -4.761 3.946 387 HZ3 TRP 47 3HZ TRP 47 -3.772 -5.370 -0.257 388 HH2 TRP 47 HH TRP 47 -2.312 -4.637 1.608 389 H SER 48 H SER 48 -9.926 -9.803 3.083 390 HA SER 48 HA SER 48 -8.268 -10.377 5.458 391 1HB SER 48 2HB SER 48 -10.437 -11.351 6.237 392 2HB SER 48 1HB SER 48 -10.612 -9.692 5.673 393 HG SER 48 HG SER 48 -11.817 -10.380 4.090 394 H GLU 49 H GLU 49 -9.688 -12.063 2.679 395 HA GLU 49 HA GLU 49 -9.165 -14.757 3.494 396 1HB GLU 49 2HB GLU 49 -9.813 -13.230 1.049 397 2HB GLU 49 1HB GLU 49 -8.944 -14.735 0.746 398 1HG GLU 49 2HG GLU 49 -11.331 -15.202 0.737 399 2HG GLU 49 1HG GLU 49 -10.618 -15.929 2.179 400 H GLN 50 H GLN 50 -7.155 -12.310 1.908 401 HA GLN 50 HA GLN 50 -4.951 -13.987 1.160 402 1HB GLN 50 2HB GLN 50 -5.228 -11.060 1.900 403 2HB GLN 50 1HB GLN 50 -3.733 -11.747 1.266 404 1HG GLN 50 2HG GLN 50 -6.391 -12.026 -0.153 405 2HG GLN 50 1HG GLN 50 -5.273 -10.699 -0.472 406 1HE2 GLN 50 1HE2 GLN 50 -6.150 -13.374 -1.970 407 2HE2 GLN 50 2HE2 GLN 50 -4.661 -13.966 -2.532 408 H SER 51 H SER 51 -2.868 -14.188 2.273 409 HA SER 51 HA SER 51 -2.845 -13.576 5.186 410 1HB SER 51 2HB SER 51 -2.472 -16.332 3.971 411 2HB SER 51 1HB SER 51 -2.321 -15.939 5.681 412 HG SER 51 HG SER 51 -4.474 -15.494 5.765 413 H ALA 52 H ALA 52 -1.009 -12.285 5.077 414 HA ALA 52 HA ALA 52 1.258 -11.697 4.781 415 1HB ALA 52 1HB ALA 52 2.751 -13.443 5.429 416 2HB ALA 52 2HB ALA 52 1.688 -14.692 4.780 417 3HB ALA 52 3HB ALA 52 1.229 -13.814 6.239 418 H LYS 53 H LYS 53 -0.025 -11.586 2.359 419 HA LYS 53 HA LYS 53 2.114 -12.434 0.492 420 1HB LYS 53 2HB LYS 53 -0.054 -14.057 0.893 421 2HB LYS 53 1HB LYS 53 -0.635 -13.052 -0.432 422 1HG LYS 53 2HG LYS 53 0.448 -14.750 -1.598 423 2HG LYS 53 1HG LYS 53 1.733 -13.548 -1.467 424 1HD LYS 53 2HD LYS 53 2.777 -15.547 -0.776 425 2HD LYS 53 1HD LYS 53 2.351 -14.756 0.742 426 1HE LYS 53 2HE LYS 53 0.360 -16.144 0.972 427 2HE LYS 53 1HE LYS 53 0.644 -16.868 -0.624 428 1HZ LYS 53 1HZ LYS 53 2.756 -17.700 0.127 429 2HZ LYS 53 2HZ LYS 53 1.553 -18.228 1.203 430 3HZ LYS 53 3HZ LYS 53 2.577 -16.941 1.633 431 H ASP 54 H ASP 54 -1.271 -11.299 0.100 432 HA ASP 54 HA ASP 54 -0.628 -9.371 -1.916 433 1HB ASP 54 2HB ASP 54 -2.857 -10.466 -1.331 434 2HB ASP 54 1HB ASP 54 -2.969 -9.322 0.007 435 H LYS 55 H LYS 55 -0.917 -9.094 1.629 436 HA LYS 55 HA LYS 55 -0.421 -6.179 1.510 437 1HB LYS 55 2HB LYS 55 -0.959 -6.325 3.890 438 2HB LYS 55 1HB LYS 55 -2.130 -7.241 2.950 439 1HG LYS 55 2HG LYS 55 -1.696 -8.970 4.341 440 2HG LYS 55 1HG LYS 55 -0.168 -9.128 3.477 441 1HD LYS 55 2HD LYS 55 0.564 -7.196 5.169 442 2HD LYS 55 1HD LYS 55 -0.720 -7.909 6.148 443 1HE LYS 55 2HE LYS 55 0.343 -10.109 6.021 444 2HE LYS 55 1HE LYS 55 1.594 -9.466 4.937 445 1HZ LYS 55 1HZ LYS 55 2.275 -7.922 6.620 446 2HZ LYS 55 2HZ LYS 55 2.282 -9.481 7.298 447 3HZ LYS 55 3HZ LYS 55 1.017 -8.403 7.651 448 H GLN 56 H GLN 56 1.665 -8.438 0.944 449 HA GLN 56 HA GLN 56 3.662 -7.880 3.063 450 1HB GLN 56 2HB GLN 56 3.149 -9.897 0.989 451 2HB GLN 56 1HB GLN 56 4.849 -9.452 1.112 452 1HG GLN 56 2HG GLN 56 4.451 -9.722 3.692 453 2HG GLN 56 1HG GLN 56 3.062 -10.687 3.188 454 1HE2 GLN 56 1HE2 GLN 56 6.511 -10.707 3.559 455 2HE2 GLN 56 2HE2 GLN 56 6.786 -12.240 2.880 456 HA PRO 57 HA PRO 57 5.859 -5.922 -0.630 457 1HB PRO 57 2HB PRO 57 4.712 -5.872 -3.095 458 2HB PRO 57 1HB PRO 57 5.674 -7.245 -2.513 459 1HG PRO 57 2HG PRO 57 2.764 -6.973 -2.802 460 2HG PRO 57 1HG PRO 57 3.773 -8.419 -2.894 461 1HD PRO 57 2HD PRO 57 2.188 -7.605 -0.726 462 2HD PRO 57 1HD PRO 57 3.420 -8.884 -0.714 463 H TYR 58 H TYR 58 2.362 -5.522 -0.644 464 HA TYR 58 HA TYR 58 2.454 -2.724 -1.518 465 1HB TYR 58 2HB TYR 58 0.599 -4.853 -1.379 466 2HB TYR 58 1HB TYR 58 -0.035 -3.609 -0.306 467 HD1 TYR 58 1HD TYR 58 1.272 -4.181 -3.755 468 HD2 TYR 58 2HD TYR 58 -1.060 -1.660 -1.175 469 HE1 TYR 58 1HE TYR 58 0.505 -2.879 -5.721 470 HE2 TYR 58 2HE TYR 58 -1.827 -0.358 -3.141 471 HH TYR 58 HH TYR 58 -0.524 -0.083 -5.785 472 H GLU 59 H GLU 59 3.261 -4.106 1.418 473 HA GLU 59 HA GLU 59 1.946 -2.019 3.080 474 1HB GLU 59 2HB GLU 59 2.827 -3.372 4.946 475 2HB GLU 59 1HB GLU 59 1.940 -4.375 3.804 476 1HG GLU 59 2HG GLU 59 3.763 -5.697 3.669 477 2HG GLU 59 1HG GLU 59 4.586 -4.374 2.849 478 H GLN 60 H GLN 60 5.070 -2.815 1.705 479 HA GLN 60 HA GLN 60 6.624 -1.079 3.454 480 1HB GLN 60 2HB GLN 60 8.393 -1.535 1.760 481 2HB GLN 60 1HB GLN 60 7.592 -3.010 2.296 482 1HG GLN 60 2HG GLN 60 6.408 -3.248 0.295 483 2HG GLN 60 1HG GLN 60 6.585 -1.548 -0.134 484 1HE2 GLN 60 1HE2 GLN 60 8.108 -4.699 -0.309 485 2HE2 GLN 60 2HE2 GLN 60 9.467 -4.208 -1.200 486 H LYS 61 H LYS 61 4.682 -0.617 0.598 487 HA LYS 61 HA LYS 61 5.874 1.719 -0.522 488 1HB LYS 61 2HB LYS 61 4.098 0.348 -1.563 489 2HB LYS 61 1HB LYS 61 2.966 0.862 -0.314 490 1HG LYS 61 2HG LYS 61 2.885 3.069 -1.115 491 2HG LYS 61 1HG LYS 61 4.404 2.903 -1.997 492 1HD LYS 61 2HD LYS 61 3.219 1.166 -3.445 493 2HD LYS 61 1HD LYS 61 1.716 1.708 -2.698 494 1HE LYS 61 2HE LYS 61 1.744 3.155 -4.507 495 2HE LYS 61 1HE LYS 61 2.745 4.113 -3.397 496 1HZ LYS 61 1HZ LYS 61 3.796 2.068 -5.281 497 2HZ LYS 61 2HZ LYS 61 4.714 3.080 -4.271 498 3HZ LYS 61 3HZ LYS 61 3.832 3.740 -5.565 499 H ALA 62 H ALA 62 3.390 1.379 2.035 500 HA ALA 62 HA ALA 62 3.099 4.228 2.484 501 1HB ALA 62 1HB ALA 62 1.312 2.827 3.148 502 2HB ALA 62 2HB ALA 62 2.079 3.255 4.677 503 3HB ALA 62 3HB ALA 62 2.391 1.682 3.944 504 H ALA 63 H ALA 63 5.618 2.036 3.273 505 HA ALA 63 HA ALA 63 6.445 3.410 5.748 506 1HB ALA 63 1HB ALA 63 7.752 1.277 4.026 507 2HB ALA 63 2HB ALA 63 6.683 0.965 5.394 508 3HB ALA 63 3HB ALA 63 8.251 1.729 5.656 509 H LYS 64 H LYS 64 6.553 4.339 2.584 510 HA LYS 64 HA LYS 64 9.330 5.433 2.696 511 1HB LYS 64 2HB LYS 64 7.279 4.885 0.543 512 2HB LYS 64 1HB LYS 64 8.688 5.893 0.230 513 1HG LYS 64 2HG LYS 64 8.919 3.122 1.412 514 2HG LYS 64 1HG LYS 64 8.934 3.406 -0.329 515 1HD LYS 64 2HD LYS 64 10.760 5.062 1.358 516 2HD LYS 64 1HD LYS 64 11.195 3.373 1.093 517 1HE LYS 64 2HE LYS 64 10.868 3.778 -1.395 518 2HE LYS 64 1HE LYS 64 10.742 5.508 -1.015 519 1HZ LYS 64 1HZ LYS 64 13.034 4.957 -1.458 520 2HZ LYS 64 2HZ LYS 64 12.999 3.707 -0.309 521 3HZ LYS 64 3HZ LYS 64 12.861 5.325 0.188 522 H LEU 65 H LEU 65 5.919 6.247 2.431 523 HA LEU 65 HA LEU 65 6.345 9.117 2.054 524 1HB LEU 65 2HB LEU 65 4.084 7.191 2.406 525 2HB LEU 65 1HB LEU 65 3.760 8.899 2.693 526 HG LEU 65 HG LEU 65 5.024 9.231 0.410 527 1HD1 LEU 65 1HD1 LEU 65 4.378 7.215 -1.083 528 2HD1 LEU 65 2HD1 LEU 65 4.265 6.310 0.427 529 3HD1 LEU 65 3HD1 LEU 65 5.796 7.043 -0.049 530 1HD2 LEU 65 1HD2 LEU 65 2.663 9.780 0.765 531 2HD2 LEU 65 2HD2 LEU 65 2.223 8.079 0.617 532 3HD2 LEU 65 3HD2 LEU 65 2.850 8.953 -0.781 533 H LYS 66 H LYS 66 6.869 7.216 4.742 534 HA LYS 66 HA LYS 66 5.674 9.090 6.709 535 1HB LYS 66 2HB LYS 66 5.601 6.526 6.809 536 2HB LYS 66 1HB LYS 66 7.325 6.596 7.183 537 1HG LYS 66 2HG LYS 66 6.949 7.779 9.207 538 2HG LYS 66 1HG LYS 66 5.294 8.186 8.755 539 1HD LYS 66 2HD LYS 66 5.054 6.411 10.304 540 2HD LYS 66 1HD LYS 66 4.871 5.641 8.729 541 1HE LYS 66 2HE LYS 66 7.192 4.881 8.773 542 2HE LYS 66 1HE LYS 66 7.476 5.754 10.292 543 1HZ LYS 66 1HZ LYS 66 6.915 3.423 10.700 544 2HZ LYS 66 2HZ LYS 66 5.437 3.628 9.886 545 3HZ LYS 66 3HZ LYS 66 5.735 4.459 11.338 546 H GLU 67 H GLU 67 8.755 8.195 5.278 547 HA GLU 67 HA GLU 67 10.364 9.599 7.305 548 1HB GLU 67 2HB GLU 67 10.766 7.995 4.810 549 2HB GLU 67 1HB GLU 67 12.079 9.054 5.328 550 1HG GLU 67 2HG GLU 67 10.752 7.211 7.304 551 2HG GLU 67 1HG GLU 67 12.017 6.605 6.233 552 H LYS 68 H LYS 68 8.666 10.446 4.414 553 HA LYS 68 HA LYS 68 10.338 12.882 3.990 554 1HB LYS 68 2HB LYS 68 8.295 11.329 2.394 555 2HB LYS 68 1HB LYS 68 8.784 12.955 1.912 556 1HG LYS 68 2HG LYS 68 11.171 12.180 1.945 557 2HG LYS 68 1HG LYS 68 10.588 10.543 2.245 558 1HD LYS 68 2HD LYS 68 10.852 10.619 -0.100 559 2HD LYS 68 1HD LYS 68 9.125 10.895 0.136 560 1HE LYS 68 2HE LYS 68 9.696 12.621 -1.359 561 2HE LYS 68 1HE LYS 68 9.845 13.441 0.209 562 1HZ LYS 68 1HZ LYS 68 12.182 12.846 0.267 563 2HZ LYS 68 2HZ LYS 68 11.846 13.746 -1.134 564 3HZ LYS 68 3HZ LYS 68 12.051 12.062 -1.231 565 H TYR 69 H TYR 69 7.153 11.754 4.961 566 HA TYR 69 HA TYR 69 5.830 14.345 4.866 567 1HB TYR 69 2HB TYR 69 4.693 12.140 4.725 568 2HB TYR 69 1HB TYR 69 5.213 11.774 6.369 569 HD1 TYR 69 1HD TYR 69 2.705 13.342 4.335 570 HD2 TYR 69 2HD TYR 69 4.471 13.379 8.248 571 HE1 TYR 69 1HE TYR 69 0.710 14.516 5.224 572 HE2 TYR 69 2HE TYR 69 2.478 14.553 9.138 573 HH TYR 69 HH TYR 69 0.655 15.931 8.355 574 H GLU 70 H GLU 70 6.999 12.294 7.558 575 HA GLU 70 HA GLU 70 6.566 14.278 9.608 576 1HB GLU 70 2HB GLU 70 8.172 11.732 9.356 577 2HB GLU 70 1HB GLU 70 8.148 12.663 10.854 578 1HG GLU 70 2HG GLU 70 5.642 12.536 10.825 579 2HG GLU 70 1HG GLU 70 5.758 11.461 9.432 580 H LYS 71 H LYS 71 8.994 14.106 7.185 581 HA LYS 71 HA LYS 71 10.963 15.598 8.864 582 1HB LYS 71 2HB LYS 71 11.013 13.952 6.350 583 2HB LYS 71 1HB LYS 71 12.307 15.116 6.643 584 1HG LYS 71 2HG LYS 71 12.527 14.050 8.967 585 2HG LYS 71 1HG LYS 71 11.515 12.747 8.343 586 1HD LYS 71 2HD LYS 71 13.143 12.457 6.460 587 2HD LYS 71 1HD LYS 71 14.188 13.650 7.234 588 1HE LYS 71 2HE LYS 71 13.218 11.277 8.819 589 2HE LYS 71 1HE LYS 71 14.616 11.115 7.737 590 1HZ LYS 71 1HZ LYS 71 15.300 11.852 9.948 591 2HZ LYS 71 2HZ LYS 71 14.283 13.207 9.824 592 3HZ LYS 71 3HZ LYS 71 15.618 13.044 8.785 593 H ASP 72 H ASP 72 8.937 15.878 5.972 594 HA ASP 72 HA ASP 72 10.045 18.553 5.336 595 1HB ASP 72 2HB ASP 72 9.522 16.714 3.663 596 2HB ASP 72 1HB ASP 72 7.815 16.992 4.008 597 H ILE 73 H ILE 73 7.145 17.092 6.724 598 HA ILE 73 HA ILE 73 5.446 19.412 6.491 599 HB ILE 73 HB ILE 73 4.874 16.935 6.880 600 1HG1 ILE 73 2HG1 ILE 73 2.960 17.690 8.538 601 2HG1 ILE 73 1HG1 ILE 73 3.627 19.295 8.235 602 1HG2 ILE 73 1HG2 ILE 73 6.418 16.801 8.931 603 2HG2 ILE 73 2HG2 ILE 73 4.818 16.078 9.095 604 3HG2 ILE 73 3HG2 ILE 73 5.147 17.660 9.801 605 1HD1 ILE 73 1HD1 ILE 73 3.426 18.869 5.781 606 2HD1 ILE 73 2HD1 ILE 73 1.868 18.847 6.606 607 3HD1 ILE 73 3HD1 ILE 73 2.642 17.331 6.144 608 H ALA 74 H ALA 74 7.998 18.573 8.715 609 HA ALA 74 HA ALA 74 7.210 20.165 10.975 610 1HB ALA 74 1HB ALA 74 9.553 19.884 11.610 611 2HB ALA 74 2HB ALA 74 9.986 19.486 9.947 612 3HB ALA 74 3HB ALA 74 8.978 18.383 10.884 613 H ALA 75 H ALA 75 9.407 20.889 8.242 614 HA ALA 75 HA ALA 75 9.646 23.711 9.026 615 1HB ALA 75 1HB ALA 75 10.572 22.069 6.649 616 2HB ALA 75 2HB ALA 75 11.528 22.503 8.067 617 3HB ALA 75 3HB ALA 75 11.030 23.750 6.923 618 H TYR 76 H TYR 76 7.568 21.815 6.971 619 HA TYR 76 HA TYR 76 6.811 23.847 5.074 620 1HB TYR 76 2HB TYR 76 6.471 21.357 4.909 621 2HB TYR 76 1HB TYR 76 5.212 21.495 6.137 622 HD1 TYR 76 1HD TYR 76 3.036 22.336 5.602 623 HD2 TYR 76 2HD TYR 76 6.209 22.547 2.714 624 HE1 TYR 76 1HE TYR 76 1.400 22.979 3.852 625 HE2 TYR 76 2HE TYR 76 4.573 23.190 0.964 626 HH TYR 76 HH TYR 76 2.147 24.393 1.071 627 H ARG 77 H ARG 77 5.824 23.156 8.379 628 HA ARG 77 HA ARG 77 3.441 24.887 8.222 629 1HB ARG 77 2HB ARG 77 4.816 23.161 10.273 630 2HB ARG 77 1HB ARG 77 3.556 24.289 10.775 631 1HG ARG 77 2HG ARG 77 1.896 23.188 9.552 632 2HG ARG 77 1HG ARG 77 3.060 22.443 8.457 633 1HD ARG 77 2HD ARG 77 3.423 20.671 9.857 634 2HD ARG 77 1HD ARG 77 3.373 21.690 11.310 635 HE ARG 77 HE ARG 77 0.851 21.108 9.818 636 1HH1 ARG 77 1HH2 ARG 77 1.739 22.479 12.617 637 2HH1 ARG 77 2HH2 ARG 77 0.930 21.379 13.683 638 1HH2 ARG 77 1HH1 ARG 77 0.258 19.052 11.201 639 2HH2 ARG 77 2HH1 ARG 77 0.092 19.439 12.882 640 H ALA 78 H ALA 78 5.913 24.948 10.792 641 HA ALA 78 HA ALA 78 6.949 27.580 10.149 642 1HB ALA 78 1HB ALA 78 4.836 28.439 10.746 643 2HB ALA 78 2HB ALA 78 5.743 28.574 12.252 644 3HB ALA 78 3HB ALA 78 4.610 27.242 12.022 645 H LYS 79 H LYS 79 8.239 25.213 10.866 646 HA LYS 79 HA LYS 79 8.881 25.322 13.751 647 1HB LYS 79 2HB LYS 79 9.551 23.565 11.410 648 2HB LYS 79 1HB LYS 79 10.394 23.378 12.944 649 1HG LYS 79 2HG LYS 79 7.379 23.312 12.631 650 2HG LYS 79 1HG LYS 79 8.399 21.877 12.730 651 1HD LYS 79 2HD LYS 79 9.300 23.109 14.916 652 2HD LYS 79 1HD LYS 79 7.705 23.859 14.856 653 1HE LYS 79 2HE LYS 79 7.941 20.873 14.540 654 2HE LYS 79 1HE LYS 79 7.974 21.597 16.160 655 1HZ LYS 79 1HZ LYS 79 5.939 22.759 15.688 656 2HZ LYS 79 2HZ LYS 79 5.697 21.104 15.389 657 3HZ LYS 79 3HZ LYS 79 5.919 22.180 14.093 Start of MODEL 3 1 1H MET 1 1HT MET 1 -13.051 13.080 -2.897 2 2H MET 1 2HT MET 1 -13.659 12.591 -1.388 3 3H MET 1 3HT MET 1 -14.156 11.797 -2.805 4 HA MET 1 HA MET 1 -12.538 10.444 -1.609 5 1HB MET 1 2HB MET 1 -12.726 11.087 -4.263 6 2HB MET 1 1HB MET 1 -11.022 11.429 -3.957 7 1HG MET 1 2HG MET 1 -10.987 9.152 -4.521 8 2HG MET 1 1HG MET 1 -11.027 9.107 -2.759 9 1HE MET 1 1HE MET 1 -13.157 6.182 -4.490 10 2HE MET 1 2HE MET 1 -11.511 6.782 -4.306 11 3HE MET 1 3HE MET 1 -12.472 7.281 -5.694 12 H LYS 2 H LYS 2 -9.947 10.325 -1.599 13 HA LYS 2 HA LYS 2 -9.037 12.623 0.028 14 1HB LYS 2 2HB LYS 2 -8.243 9.790 -0.515 15 2HB LYS 2 1HB LYS 2 -6.998 10.892 0.076 16 1HG LYS 2 2HG LYS 2 -7.970 9.937 2.031 17 2HG LYS 2 1HG LYS 2 -8.664 11.554 1.906 18 1HD LYS 2 2HD LYS 2 -10.740 10.754 1.196 19 2HD LYS 2 1HD LYS 2 -10.066 9.234 0.609 20 1HE LYS 2 2HE LYS 2 -9.451 9.150 3.306 21 2HE LYS 2 1HE LYS 2 -11.043 9.932 3.285 22 1HZ LYS 2 1HZ LYS 2 -10.323 7.433 1.848 23 2HZ LYS 2 2HZ LYS 2 -11.839 8.199 1.796 24 3HZ LYS 2 3HZ LYS 2 -11.274 7.522 3.250 25 H LYS 3 H LYS 3 -7.905 14.263 -0.924 26 HA LYS 3 HA LYS 3 -5.757 13.802 -2.799 27 1HB LYS 3 2HB LYS 3 -7.981 13.507 -4.086 28 2HB LYS 3 1HB LYS 3 -8.167 15.252 -3.900 29 1HG LYS 3 2HG LYS 3 -5.842 15.487 -4.910 30 2HG LYS 3 1HG LYS 3 -5.941 13.775 -5.322 31 1HD LYS 3 2HD LYS 3 -6.736 14.836 -7.267 32 2HD LYS 3 1HD LYS 3 -8.217 14.397 -6.414 33 1HE LYS 3 2HE LYS 3 -8.635 16.608 -5.733 34 2HE LYS 3 1HE LYS 3 -6.940 17.091 -5.942 35 1HZ LYS 3 1HZ LYS 3 -8.317 17.852 -7.798 36 2HZ LYS 3 2HZ LYS 3 -8.769 16.248 -8.129 37 3HZ LYS 3 3HZ LYS 3 -7.151 16.734 -8.313 38 H LYS 4 H LYS 4 -4.614 15.811 -3.274 39 HA LYS 4 HA LYS 4 -5.579 18.374 -2.353 40 1HB LYS 4 2HB LYS 4 -4.475 16.562 -0.449 41 2HB LYS 4 1HB LYS 4 -3.279 17.831 -0.692 42 1HG LYS 4 2HG LYS 4 -5.279 19.468 -0.442 43 2HG LYS 4 1HG LYS 4 -6.126 18.090 0.262 44 1HD LYS 4 2HD LYS 4 -3.393 18.945 1.226 45 2HD LYS 4 1HD LYS 4 -4.874 19.625 1.899 46 1HE LYS 4 2HE LYS 4 -4.550 16.632 1.710 47 2HE LYS 4 1HE LYS 4 -3.851 17.528 3.073 48 1HZ LYS 4 1HZ LYS 4 -6.030 18.604 3.380 49 2HZ LYS 4 2HZ LYS 4 -6.104 16.922 3.609 50 3HZ LYS 4 3HZ LYS 4 -6.681 17.610 2.168 51 H ASP 5 H ASP 5 -3.006 19.481 -1.768 52 HA ASP 5 HA ASP 5 -1.991 20.038 -4.375 53 1HB ASP 5 2HB ASP 5 -1.176 20.447 -1.533 54 2HB ASP 5 1HB ASP 5 0.049 20.729 -2.771 55 HA PRO 6 HA PRO 6 0.552 16.455 -5.014 56 1HB PRO 6 2HB PRO 6 2.219 17.414 -6.956 57 2HB PRO 6 1HB PRO 6 0.529 16.973 -7.269 58 1HG PRO 6 2HG PRO 6 1.747 19.656 -6.893 59 2HG PRO 6 1HG PRO 6 0.437 19.150 -7.970 60 1HD PRO 6 2HD PRO 6 0.062 20.475 -5.596 61 2HD PRO 6 1HD PRO 6 -1.157 19.438 -6.368 62 H ASN 7 H ASN 7 2.068 19.621 -4.521 63 HA ASN 7 HA ASN 7 4.688 18.534 -3.817 64 1HB ASN 7 2HB ASN 7 4.050 20.814 -4.830 65 2HB ASN 7 1HB ASN 7 3.576 21.276 -3.194 66 1HD2 ASN 7 1HD2 ASN 7 5.232 22.306 -2.083 67 2HD2 ASN 7 2HD2 ASN 7 6.890 22.014 -2.303 68 H ALA 8 H ALA 8 1.721 19.161 -2.081 69 HA ALA 8 HA ALA 8 3.046 19.251 0.557 70 1HB ALA 8 1HB ALA 8 1.088 20.642 0.076 71 2HB ALA 8 2HB ALA 8 0.662 19.453 1.307 72 3HB ALA 8 3HB ALA 8 0.153 19.214 -0.365 73 HA PRO 9 HA PRO 9 2.773 14.811 0.880 74 1HB PRO 9 2HB PRO 9 3.289 14.547 3.552 75 2HB PRO 9 1HB PRO 9 4.551 14.896 2.355 76 1HG PRO 9 2HG PRO 9 3.170 16.731 4.240 77 2HG PRO 9 1HG PRO 9 4.860 16.712 3.714 78 1HD PRO 9 2HD PRO 9 2.978 18.447 2.743 79 2HD PRO 9 1HD PRO 9 4.425 17.944 1.841 80 H LYS 10 H LYS 10 0.557 14.398 0.547 81 HA LYS 10 HA LYS 10 -1.593 15.183 2.230 82 1HB LYS 10 2HB LYS 10 -2.809 13.401 0.997 83 2HB LYS 10 1HB LYS 10 -1.808 14.369 -0.084 84 1HG LYS 10 2HG LYS 10 -0.161 12.254 0.871 85 2HG LYS 10 1HG LYS 10 -1.700 11.528 0.412 86 1HD LYS 10 2HD LYS 10 -1.562 12.637 -1.795 87 2HD LYS 10 1HD LYS 10 -0.008 13.337 -1.339 88 1HE LYS 10 2HE LYS 10 0.918 11.044 -1.036 89 2HE LYS 10 1HE LYS 10 -0.631 10.372 -1.585 90 1HZ LYS 10 1HZ LYS 10 1.010 10.670 -3.404 91 2HZ LYS 10 2HZ LYS 10 0.971 12.345 -3.123 92 3HZ LYS 10 3HZ LYS 10 -0.428 11.535 -3.647 93 H ARG 11 H ARG 11 -2.967 12.847 2.901 94 HA ARG 11 HA ARG 11 -1.880 12.175 5.467 95 1HB ARG 11 2HB ARG 11 -4.144 11.436 3.715 96 2HB ARG 11 1HB ARG 11 -3.676 10.182 4.864 97 1HG ARG 11 2HG ARG 11 -5.259 11.499 6.041 98 2HG ARG 11 1HG ARG 11 -3.695 12.053 6.639 99 1HD ARG 11 2HD ARG 11 -3.786 13.881 4.865 100 2HD ARG 11 1HD ARG 11 -5.477 13.414 4.597 101 HE ARG 11 HE ARG 11 -4.396 14.637 7.066 102 1HH1 ARG 11 1HH1 ARG 11 -6.887 15.500 5.539 103 2HH1 ARG 11 2HH1 ARG 11 -8.139 14.921 6.585 104 1HH2 ARG 11 1HH2 ARG 11 -6.039 12.822 8.376 105 2HH2 ARG 11 2HH2 ARG 11 -7.660 13.405 8.191 106 HA PRO 12 HA PRO 12 0.928 8.987 4.158 107 1HB PRO 12 2HB PRO 12 1.401 7.799 6.575 108 2HB PRO 12 1HB PRO 12 2.109 9.359 6.112 109 1HG PRO 12 2HG PRO 12 -0.191 8.781 7.894 110 2HG PRO 12 1HG PRO 12 1.039 10.047 8.004 111 1HD PRO 12 2HD PRO 12 -1.525 10.438 7.083 112 2HD PRO 12 1HD PRO 12 -0.140 11.477 6.687 113 HA PRO 13 HA PRO 13 -2.058 5.655 3.934 114 1HB PRO 13 2HB PRO 13 -0.711 4.059 2.177 115 2HB PRO 13 1HB PRO 13 -1.578 5.525 1.680 116 1HG PRO 13 2HG PRO 13 1.319 5.056 1.971 117 2HG PRO 13 1HG PRO 13 0.453 6.173 0.908 118 1HD PRO 13 2HD PRO 13 1.769 6.824 3.301 119 2HD PRO 13 1HD PRO 13 0.655 7.866 2.392 120 H SER 14 H SER 14 -1.584 3.003 3.819 121 HA SER 14 HA SER 14 0.643 2.131 5.498 122 1HB SER 14 2HB SER 14 -0.880 3.298 7.088 123 2HB SER 14 1HB SER 14 -2.177 2.203 6.620 124 HG SER 14 HG SER 14 0.269 1.607 7.921 125 H ALA 15 H ALA 15 0.247 1.009 3.150 126 HA ALA 15 HA ALA 15 -0.101 -1.028 2.069 127 1HB ALA 15 1HB ALA 15 -1.203 -2.610 4.201 128 2HB ALA 15 2HB ALA 15 0.074 -1.594 4.868 129 3HB ALA 15 3HB ALA 15 0.421 -2.677 3.521 130 H PHE 16 H PHE 16 -2.729 -1.395 4.483 131 HA PHE 16 HA PHE 16 -4.758 -2.207 2.772 132 1HB PHE 16 2HB PHE 16 -4.591 -1.838 5.350 133 2HB PHE 16 1HB PHE 16 -5.247 -0.240 5.001 134 HD1 PHE 16 1HD PHE 16 -6.116 -3.532 5.822 135 HD2 PHE 16 2HD PHE 16 -7.318 -0.286 3.279 136 HE1 PHE 16 1HE PHE 16 -8.397 -4.494 5.671 137 HE2 PHE 16 2HE PHE 16 -9.598 -1.249 3.127 138 HZ PHE 16 HZ PHE 16 -10.138 -3.352 4.323 139 H PHE 17 H PHE 17 -4.064 1.188 3.676 140 HA PHE 17 HA PHE 17 -6.092 2.436 2.126 141 1HB PHE 17 2HB PHE 17 -4.025 3.174 3.813 142 2HB PHE 17 1HB PHE 17 -3.505 3.845 2.267 143 HD1 PHE 17 1HD PHE 17 -6.232 3.817 4.780 144 HD2 PHE 17 2HD PHE 17 -4.668 5.683 1.243 145 HE1 PHE 17 1HE PHE 17 -7.857 5.672 5.042 146 HE2 PHE 17 2HE PHE 17 -6.293 7.539 1.504 147 HZ PHE 17 HZ PHE 17 -7.887 7.533 3.404 148 H LEU 18 H LEU 18 -2.928 1.164 1.184 149 HA LEU 18 HA LEU 18 -2.917 2.410 -1.454 150 1HB LEU 18 2HB LEU 18 -1.347 0.026 -0.420 151 2HB LEU 18 1HB LEU 18 -0.895 1.095 -1.741 152 HG LEU 18 HG LEU 18 -1.081 1.841 1.197 153 1HD1 LEU 18 1HD1 LEU 18 1.153 1.271 -0.725 154 2HD1 LEU 18 2HD1 LEU 18 0.955 0.738 0.944 155 3HD1 LEU 18 3HD1 LEU 18 1.412 2.406 0.600 156 1HD2 LEU 18 1HD2 LEU 18 0.046 3.993 0.194 157 2HD2 LEU 18 2HD2 LEU 18 -1.707 3.827 0.101 158 3HD2 LEU 18 3HD2 LEU 18 -0.713 3.474 -1.312 159 H PHE 19 H PHE 19 -3.949 -0.691 -0.095 160 HA PHE 19 HA PHE 19 -4.313 -1.991 -2.687 161 1HB PHE 19 2HB PHE 19 -3.779 -3.096 -0.487 162 2HB PHE 19 1HB PHE 19 -5.408 -2.693 0.053 163 HD1 PHE 19 1HD PHE 19 -3.451 -4.634 -2.435 164 HD2 PHE 19 2HD PHE 19 -7.322 -3.918 -0.715 165 HE1 PHE 19 1HE PHE 19 -4.330 -6.656 -3.571 166 HE2 PHE 19 2HE PHE 19 -8.201 -5.940 -1.851 167 HZ PHE 19 HZ PHE 19 -6.705 -7.309 -3.279 168 H CYS 20 H CYS 20 -6.612 -0.897 -0.152 169 HA CYS 20 HA CYS 20 -9.014 -1.334 -1.590 170 1HB CYS 20 2HB CYS 20 -8.508 -0.647 0.872 171 2HB CYS 20 1HB CYS 20 -8.568 1.006 0.260 172 HG CYS 20 HG CYS 20 -11.024 0.787 0.491 173 H SER 21 H SER 21 -7.217 1.754 -1.268 174 HA SER 21 HA SER 21 -8.775 3.323 -3.033 175 1HB SER 21 2HB SER 21 -6.817 4.764 -3.062 176 2HB SER 21 1HB SER 21 -6.949 4.043 -1.460 177 HG SER 21 HG SER 21 -4.849 4.000 -2.843 178 H GLU 22 H GLU 22 -6.500 0.771 -3.776 179 HA GLU 22 HA GLU 22 -6.359 1.595 -6.635 180 1HB GLU 22 2HB GLU 22 -4.842 -0.176 -4.773 181 2HB GLU 22 1HB GLU 22 -4.743 -0.497 -6.502 182 1HG GLU 22 2HG GLU 22 -4.201 2.203 -5.233 183 2HG GLU 22 1HG GLU 22 -2.945 1.047 -5.682 184 H TYR 23 H TYR 23 -7.775 -0.832 -4.523 185 HA TYR 23 HA TYR 23 -8.528 -2.557 -6.817 186 1HB TYR 23 2HB TYR 23 -8.393 -2.718 -3.843 187 2HB TYR 23 1HB TYR 23 -9.570 -3.754 -4.651 188 HD1 TYR 23 1HD TYR 23 -8.868 -5.826 -5.465 189 HD2 TYR 23 2HD TYR 23 -5.985 -2.683 -4.954 190 HE1 TYR 23 1HE TYR 23 -7.052 -7.386 -6.114 191 HE2 TYR 23 2HE TYR 23 -4.169 -4.244 -5.602 192 HH TYR 23 HH TYR 23 -4.097 -6.464 -7.080 193 H ARG 24 H ARG 24 -9.805 0.241 -5.805 194 HA ARG 24 HA ARG 24 -12.594 -0.582 -5.434 195 1HB ARG 24 2HB ARG 24 -11.028 1.978 -5.435 196 2HB ARG 24 1HB ARG 24 -12.790 2.010 -5.519 197 1HG ARG 24 2HG ARG 24 -13.049 1.001 -3.423 198 2HG ARG 24 1HG ARG 24 -11.418 0.331 -3.438 199 1HD ARG 24 2HD ARG 24 -10.465 2.293 -2.687 200 2HD ARG 24 1HD ARG 24 -11.645 3.308 -3.541 201 HE ARG 24 HE ARG 24 -12.374 1.735 -1.096 202 1HH1 ARG 24 1HH1 ARG 24 -11.442 4.658 -0.934 203 2HH1 ARG 24 2HH1 ARG 24 -12.967 5.478 -0.861 204 1HH2 ARG 24 1HH2 ARG 24 -14.794 2.732 -1.932 205 2HH2 ARG 24 2HH2 ARG 24 -14.864 4.388 -1.425 206 HA PRO 25 HA PRO 25 -12.981 1.677 -9.681 207 1HB PRO 25 2HB PRO 25 -10.762 1.724 -11.287 208 2HB PRO 25 1HB PRO 25 -11.219 3.051 -10.200 209 1HG PRO 25 2HG PRO 25 -9.188 0.912 -9.829 210 2HG PRO 25 1HG PRO 25 -9.119 2.626 -9.387 211 1HD PRO 25 2HD PRO 25 -9.605 0.659 -7.613 212 2HD PRO 25 1HD PRO 25 -10.252 2.298 -7.415 213 H LYS 26 H LYS 26 -11.118 -1.165 -9.026 214 HA LYS 26 HA LYS 26 -11.511 -2.544 -11.555 215 1HB LYS 26 2HB LYS 26 -9.815 -3.013 -9.705 216 2HB LYS 26 1HB LYS 26 -11.158 -3.663 -8.760 217 1HG LYS 26 2HG LYS 26 -10.684 -4.657 -11.559 218 2HG LYS 26 1HG LYS 26 -9.716 -5.295 -10.228 219 1HD LYS 26 2HD LYS 26 -12.024 -5.613 -9.038 220 2HD LYS 26 1HD LYS 26 -12.685 -5.500 -10.670 221 1HE LYS 26 2HE LYS 26 -11.258 -7.363 -11.407 222 2HE LYS 26 1HE LYS 26 -10.535 -7.463 -9.789 223 1HZ LYS 26 1HZ LYS 26 -13.439 -7.703 -10.374 224 2HZ LYS 26 2HZ LYS 26 -12.706 -7.854 -8.848 225 3HZ LYS 26 3HZ LYS 26 -12.408 -9.011 -10.056 226 H ILE 27 H ILE 27 -13.085 -2.654 -8.364 227 HA ILE 27 HA ILE 27 -15.145 -4.523 -8.878 228 HB ILE 27 HB ILE 27 -15.305 -1.983 -7.215 229 1HG1 ILE 27 2HG1 ILE 27 -13.279 -3.075 -6.510 230 2HG1 ILE 27 1HG1 ILE 27 -14.508 -3.461 -5.322 231 1HG2 ILE 27 1HG2 ILE 27 -16.719 -4.647 -7.081 232 2HG2 ILE 27 2HG2 ILE 27 -17.432 -3.056 -7.346 233 3HG2 ILE 27 3HG2 ILE 27 -16.753 -3.467 -5.771 234 1HD1 ILE 27 1HD1 ILE 27 -13.357 -5.230 -7.465 235 2HD1 ILE 27 2HD1 ILE 27 -14.917 -5.590 -6.728 236 3HD1 ILE 27 3HD1 ILE 27 -13.464 -5.527 -5.730 237 H LYS 28 H LYS 28 -14.924 -1.090 -9.599 238 HA LYS 28 HA LYS 28 -17.706 -0.726 -10.279 239 1HB LYS 28 2HB LYS 28 -15.578 1.025 -11.468 240 2HB LYS 28 1HB LYS 28 -17.118 1.471 -10.752 241 1HG LYS 28 2HG LYS 28 -14.540 0.784 -9.368 242 2HG LYS 28 1HG LYS 28 -15.433 2.284 -9.278 243 1HD LYS 28 2HD LYS 28 -16.254 -0.384 -8.076 244 2HD LYS 28 1HD LYS 28 -15.709 1.043 -7.205 245 1HE LYS 28 2HE LYS 28 -18.123 1.172 -9.031 246 2HE LYS 28 1HE LYS 28 -18.267 0.680 -7.332 247 1HZ LYS 28 1HZ LYS 28 -17.057 3.193 -8.356 248 2HZ LYS 28 2HZ LYS 28 -16.998 2.694 -6.733 249 3HZ LYS 28 3HZ LYS 28 -18.491 3.054 -7.461 250 H SER 29 H SER 29 -14.807 -1.454 -12.203 251 HA SER 29 HA SER 29 -15.885 -1.144 -14.808 252 1HB SER 29 2HB SER 29 -13.496 -1.581 -14.075 253 2HB SER 29 1HB SER 29 -13.942 -3.272 -13.865 254 HG SER 29 HG SER 29 -14.223 -3.475 -16.003 255 H GLU 30 H GLU 30 -16.381 -3.687 -12.442 256 HA GLU 30 HA GLU 30 -17.957 -5.255 -14.457 257 1HB GLU 30 2HB GLU 30 -16.017 -5.882 -12.344 258 2HB GLU 30 1HB GLU 30 -17.478 -6.860 -12.236 259 1HG GLU 30 2HG GLU 30 -16.087 -6.483 -14.880 260 2HG GLU 30 1HG GLU 30 -15.533 -7.713 -13.742 261 H HIS 31 H HIS 31 -18.073 -3.565 -11.404 262 HA HIS 31 HA HIS 31 -20.937 -4.411 -11.075 263 1HB HIS 31 2HB HIS 31 -19.021 -3.517 -8.894 264 2HB HIS 31 1HB HIS 31 -20.604 -4.255 -8.685 265 HD1 HIS 31 1HD HIS 31 -17.036 -5.062 -9.308 266 HD2 HIS 31 2HD HIS 31 -20.676 -7.093 -9.307 267 HE1 HIS 31 1HE HIS 31 -16.476 -7.528 -9.318 268 HA PRO 32 HA PRO 32 -20.972 0.102 -11.779 269 1HB PRO 32 2HB PRO 32 -23.447 0.182 -12.942 270 2HB PRO 32 1HB PRO 32 -21.967 -0.198 -13.839 271 1HG PRO 32 2HG PRO 32 -24.092 -2.009 -12.851 272 2HG PRO 32 1HG PRO 32 -23.105 -2.115 -14.316 273 1HD PRO 32 2HD PRO 32 -22.690 -3.594 -12.026 274 2HD PRO 32 1HD PRO 32 -21.460 -3.273 -13.266 275 H GLY 33 H GLY 33 -23.560 -1.971 -10.526 276 1HA GLY 33 2HA GLY 33 -24.896 0.167 -9.081 277 2HA GLY 33 1HA GLY 33 -25.212 -1.557 -8.907 278 H LEU 34 H LEU 34 -22.134 -1.819 -8.455 279 HA LEU 34 HA LEU 34 -22.123 -2.098 -5.647 280 1HB LEU 34 2HB LEU 34 -20.322 -2.286 -7.879 281 2HB LEU 34 1HB LEU 34 -19.494 -1.439 -6.580 282 HG LEU 34 HG LEU 34 -19.190 -3.917 -6.485 283 1HD1 LEU 34 1HD1 LEU 34 -18.819 -3.154 -4.376 284 2HD1 LEU 34 2HD1 LEU 34 -20.332 -3.985 -4.023 285 3HD1 LEU 34 3HD1 LEU 34 -20.330 -2.247 -4.324 286 1HD2 LEU 34 1HD2 LEU 34 -20.930 -5.388 -6.463 287 2HD2 LEU 34 2HD2 LEU 34 -21.853 -4.050 -7.146 288 3HD2 LEU 34 3HD2 LEU 34 -21.908 -4.364 -5.411 289 H SER 35 H SER 35 -23.098 -0.128 -4.786 290 HA SER 35 HA SER 35 -21.909 2.495 -5.151 291 1HB SER 35 2HB SER 35 -24.249 2.147 -4.520 292 2HB SER 35 1HB SER 35 -23.756 1.317 -3.047 293 HG SER 35 HG SER 35 -24.083 3.926 -3.463 294 H ILE 36 H ILE 36 -21.075 3.725 -3.122 295 HA ILE 36 HA ILE 36 -18.644 2.612 -2.182 296 HB ILE 36 HB ILE 36 -20.459 4.743 -1.000 297 1HG1 ILE 36 2HG1 ILE 36 -19.751 5.187 -3.325 298 2HG1 ILE 36 1HG1 ILE 36 -18.967 6.303 -2.211 299 1HG2 ILE 36 1HG2 ILE 36 -17.583 3.999 -0.421 300 2HG2 ILE 36 2HG2 ILE 36 -18.917 4.148 0.723 301 3HG2 ILE 36 3HG2 ILE 36 -18.242 5.589 -0.037 302 1HD1 ILE 36 1HD1 ILE 36 -17.755 3.849 -3.510 303 2HD1 ILE 36 2HD1 ILE 36 -16.979 4.723 -2.189 304 3HD1 ILE 36 3HD1 ILE 36 -17.270 5.530 -3.730 305 H GLY 37 H GLY 37 -21.913 2.335 -0.907 306 1HA GLY 37 2HA GLY 37 -21.313 1.431 1.726 307 2HA GLY 37 1HA GLY 37 -22.782 1.023 0.836 308 H ASP 38 H ASP 38 -22.275 -0.611 -1.057 309 HA ASP 38 HA ASP 38 -21.261 -3.039 0.164 310 1HB ASP 38 2HB ASP 38 -23.104 -2.607 -1.636 311 2HB ASP 38 1HB ASP 38 -21.759 -2.617 -2.778 312 H THR 39 H THR 39 -19.960 -0.696 -2.156 313 HA THR 39 HA THR 39 -17.691 -2.229 -3.034 314 HB THR 39 HB THR 39 -18.109 0.767 -2.761 315 HG1 THR 39 1HG THR 39 -18.968 0.627 -4.757 316 1HG2 THR 39 1HG2 THR 39 -16.110 -0.883 -4.327 317 2HG2 THR 39 2HG2 THR 39 -15.767 0.345 -3.110 318 3HG2 THR 39 3HG2 THR 39 -16.440 0.816 -4.671 319 H ALA 40 H ALA 40 -18.243 -0.172 -0.213 320 HA ALA 40 HA ALA 40 -15.473 -0.063 0.642 321 1HB ALA 40 1HB ALA 40 -17.182 1.569 1.313 322 2HB ALA 40 2HB ALA 40 -16.535 0.766 2.745 323 3HB ALA 40 3HB ALA 40 -18.111 0.295 2.106 324 H LYS 41 H LYS 41 -18.220 -2.200 1.362 325 HA LYS 41 HA LYS 41 -16.552 -3.781 3.228 326 1HB LYS 41 2HB LYS 41 -18.673 -4.823 3.830 327 2HB LYS 41 1HB LYS 41 -18.860 -3.073 3.811 328 1HG LYS 41 2HG LYS 41 -19.718 -3.335 1.417 329 2HG LYS 41 1HG LYS 41 -19.785 -5.065 1.731 330 1HD LYS 41 2HD LYS 41 -21.971 -4.123 2.196 331 2HD LYS 41 1HD LYS 41 -21.229 -4.587 3.725 332 1HE LYS 41 2HE LYS 41 -20.376 -1.930 3.293 333 2HE LYS 41 1HE LYS 41 -22.095 -1.952 2.859 334 1HZ LYS 41 1HZ LYS 41 -22.570 -3.125 4.918 335 2HZ LYS 41 2HZ LYS 41 -21.806 -1.642 5.245 336 3HZ LYS 41 3HZ LYS 41 -20.927 -3.094 5.343 337 H LYS 42 H LYS 42 -17.336 -3.871 -0.118 338 HA LYS 42 HA LYS 42 -17.246 -6.818 -0.326 339 1HB LYS 42 2HB LYS 42 -18.732 -5.341 -1.697 340 2HB LYS 42 1HB LYS 42 -17.298 -4.606 -2.410 341 1HG LYS 42 2HG LYS 42 -18.223 -6.329 -3.894 342 2HG LYS 42 1HG LYS 42 -16.635 -6.816 -3.316 343 1HD LYS 42 2HD LYS 42 -17.510 -8.698 -2.435 344 2HD LYS 42 1HD LYS 42 -18.597 -7.742 -1.430 345 1HE LYS 42 2HE LYS 42 -20.264 -8.699 -2.658 346 2HE LYS 42 1HE LYS 42 -19.778 -7.574 -3.940 347 1HZ LYS 42 1HZ LYS 42 -18.641 -10.281 -3.476 348 2HZ LYS 42 2HZ LYS 42 -18.123 -9.191 -4.671 349 3HZ LYS 42 3HZ LYS 42 -19.687 -9.852 -4.741 350 H LEU 43 H LEU 43 -14.908 -4.624 0.319 351 HA LEU 43 HA LEU 43 -12.895 -5.755 -1.579 352 1HB LEU 43 2HB LEU 43 -13.203 -3.243 0.048 353 2HB LEU 43 1HB LEU 43 -11.588 -3.760 -0.440 354 HG LEU 43 HG LEU 43 -13.848 -3.564 -2.431 355 1HD1 LEU 43 1HD1 LEU 43 -13.387 -1.312 -2.851 356 2HD1 LEU 43 2HD1 LEU 43 -11.806 -1.388 -2.074 357 3HD1 LEU 43 3HD1 LEU 43 -13.271 -1.379 -1.093 358 1HD2 LEU 43 1HD2 LEU 43 -11.934 -3.320 -4.001 359 2HD2 LEU 43 2HD2 LEU 43 -11.851 -4.831 -3.096 360 3HD2 LEU 43 3HD2 LEU 43 -10.821 -3.474 -2.643 361 H GLY 44 H GLY 44 -13.774 -5.423 1.818 362 1HA GLY 44 2HA GLY 44 -11.298 -6.382 2.935 363 2HA GLY 44 1HA GLY 44 -12.856 -6.365 3.764 364 H GLU 45 H GLU 45 -14.129 -7.964 1.590 365 HA GLU 45 HA GLU 45 -13.915 -10.571 2.658 366 1HB GLU 45 2HB GLU 45 -15.650 -9.524 1.091 367 2HB GLU 45 1HB GLU 45 -14.536 -9.890 -0.227 368 1HG GLU 45 2HG GLU 45 -14.523 -12.297 0.648 369 2HG GLU 45 1HG GLU 45 -15.907 -11.833 1.639 370 H MET 46 H MET 46 -12.231 -9.176 -0.170 371 HA MET 46 HA MET 46 -10.685 -11.628 -0.648 372 1HB MET 46 2HB MET 46 -10.667 -8.805 -1.760 373 2HB MET 46 1HB MET 46 -9.613 -10.086 -2.361 374 1HG MET 46 2HG MET 46 -11.561 -11.457 -2.938 375 2HG MET 46 1HG MET 46 -12.642 -10.228 -2.277 376 1HE MET 46 1HE MET 46 -13.105 -7.653 -4.797 377 2HE MET 46 2HE MET 46 -12.850 -7.880 -3.069 378 3HE MET 46 3HE MET 46 -13.962 -8.938 -3.935 379 H TRP 47 H TRP 47 -9.994 -8.314 0.500 380 HA TRP 47 HA TRP 47 -7.217 -8.532 0.947 381 1HB TRP 47 2HB TRP 47 -8.616 -6.481 1.089 382 2HB TRP 47 1HB TRP 47 -9.306 -7.074 2.599 383 HD1 TRP 47 HD TRP 47 -8.102 -6.356 4.716 384 HE1 TRP 47 1HE TRP 47 -5.769 -5.422 5.289 385 HE3 TRP 47 3HE TRP 47 -5.896 -6.610 0.116 386 HZ2 TRP 47 2HZ TRP 47 -3.294 -4.858 3.970 387 HZ3 TRP 47 3HZ TRP 47 -3.552 -5.869 -0.195 388 HH2 TRP 47 HH TRP 47 -2.249 -4.994 1.725 389 H SER 48 H SER 48 -9.838 -10.006 2.754 390 HA SER 48 HA SER 48 -8.051 -10.633 5.048 391 1HB SER 48 2HB SER 48 -10.433 -9.769 5.253 392 2HB SER 48 1HB SER 48 -10.971 -11.306 4.579 393 HG SER 48 HG SER 48 -10.262 -12.343 6.350 394 H GLU 49 H GLU 49 -9.760 -12.171 2.357 395 HA GLU 49 HA GLU 49 -9.418 -14.909 3.126 396 1HB GLU 49 2HB GLU 49 -9.810 -13.379 0.562 397 2HB GLU 49 1HB GLU 49 -9.533 -15.120 0.505 398 1HG GLU 49 2HG GLU 49 -11.614 -13.956 2.347 399 2HG GLU 49 1HG GLU 49 -11.987 -14.279 0.654 400 H GLN 50 H GLN 50 -7.309 -12.643 1.393 401 HA GLN 50 HA GLN 50 -5.315 -14.451 0.470 402 1HB GLN 50 2HB GLN 50 -5.186 -11.576 1.433 403 2HB GLN 50 1HB GLN 50 -3.886 -12.376 0.549 404 1HG GLN 50 2HG GLN 50 -6.645 -12.467 -0.605 405 2HG GLN 50 1HG GLN 50 -5.735 -10.962 -0.734 406 1HE2 GLN 50 1HE2 GLN 50 -4.579 -10.859 -2.657 407 2HE2 GLN 50 2HE2 GLN 50 -3.880 -12.187 -3.451 408 H SER 51 H SER 51 -3.212 -14.931 1.396 409 HA SER 51 HA SER 51 -3.307 -15.424 4.304 410 1HB SER 51 2HB SER 51 -2.554 -17.054 2.505 411 2HB SER 51 1HB SER 51 -1.149 -16.022 2.251 412 HG SER 51 HG SER 51 -1.418 -17.919 4.023 413 H ALA 52 H ALA 52 -0.313 -15.214 4.497 414 HA ALA 52 HA ALA 52 -0.180 -12.338 5.151 415 1HB ALA 52 1HB ALA 52 1.821 -14.600 5.470 416 2HB ALA 52 2HB ALA 52 0.596 -14.167 6.664 417 3HB ALA 52 3HB ALA 52 1.888 -13.031 6.273 418 H LYS 53 H LYS 53 -0.353 -12.603 2.382 419 HA LYS 53 HA LYS 53 2.446 -12.003 1.481 420 1HB LYS 53 2HB LYS 53 0.245 -13.706 0.375 421 2HB LYS 53 1HB LYS 53 1.308 -12.884 -0.767 422 1HG LYS 53 2HG LYS 53 3.275 -13.884 0.313 423 2HG LYS 53 1HG LYS 53 2.234 -14.681 1.493 424 1HD LYS 53 2HD LYS 53 1.713 -15.114 -1.429 425 2HD LYS 53 1HD LYS 53 3.035 -15.989 -0.655 426 1HE LYS 53 2HE LYS 53 0.317 -15.946 0.648 427 2HE LYS 53 1HE LYS 53 0.659 -17.092 -0.664 428 1HZ LYS 53 1HZ LYS 53 2.642 -17.804 0.514 429 2HZ LYS 53 2HZ LYS 53 1.271 -18.022 1.494 430 3HZ LYS 53 3HZ LYS 53 2.321 -16.714 1.773 431 H ASP 54 H ASP 54 -1.031 -11.389 0.973 432 HA ASP 54 HA ASP 54 -0.885 -9.355 -0.983 433 1HB ASP 54 2HB ASP 54 -3.093 -8.688 -0.038 434 2HB ASP 54 1HB ASP 54 -2.949 -10.437 -0.209 435 H LYS 55 H LYS 55 -0.329 -9.151 2.519 436 HA LYS 55 HA LYS 55 0.064 -6.200 2.291 437 1HB LYS 55 2HB LYS 55 -1.432 -7.395 4.019 438 2HB LYS 55 1HB LYS 55 0.071 -7.891 4.794 439 1HG LYS 55 2HG LYS 55 0.721 -5.401 4.729 440 2HG LYS 55 1HG LYS 55 -0.975 -5.091 4.362 441 1HD LYS 55 2HD LYS 55 -1.662 -6.219 6.420 442 2HD LYS 55 1HD LYS 55 0.016 -6.632 6.778 443 1HE LYS 55 2HE LYS 55 -0.702 -3.746 6.327 444 2HE LYS 55 1HE LYS 55 -1.041 -4.494 7.901 445 1HZ LYS 55 1HZ LYS 55 1.209 -3.597 7.836 446 2HZ LYS 55 2HZ LYS 55 1.570 -4.557 6.480 447 3HZ LYS 55 3HZ LYS 55 1.240 -5.286 7.979 448 H GLN 56 H GLN 56 2.049 -8.360 1.383 449 HA GLN 56 HA GLN 56 4.280 -7.857 3.288 450 1HB GLN 56 2HB GLN 56 3.504 -9.916 1.338 451 2HB GLN 56 1HB GLN 56 5.217 -9.509 1.277 452 1HG GLN 56 2HG GLN 56 5.053 -9.695 3.900 453 2HG GLN 56 1HG GLN 56 3.623 -10.664 3.544 454 1HE2 GLN 56 1HE2 GLN 56 7.148 -10.545 3.221 455 2HE2 GLN 56 2HE2 GLN 56 7.334 -12.157 2.724 456 HA PRO 57 HA PRO 57 6.125 -6.029 -0.648 457 1HB PRO 57 2HB PRO 57 4.808 -6.105 -3.022 458 2HB PRO 57 1HB PRO 57 5.817 -7.445 -2.444 459 1HG PRO 57 2HG PRO 57 2.892 -7.196 -2.541 460 2HG PRO 57 1HG PRO 57 3.900 -8.642 -2.630 461 1HD PRO 57 2HD PRO 57 2.465 -7.721 -0.400 462 2HD PRO 57 1HD PRO 57 3.695 -8.999 -0.417 463 H TYR 58 H TYR 58 2.591 -5.645 -0.665 464 HA TYR 58 HA TYR 58 2.699 -2.860 -1.567 465 1HB TYR 58 2HB TYR 58 0.769 -4.988 -1.115 466 2HB TYR 58 1HB TYR 58 0.179 -3.470 -0.444 467 HD1 TYR 58 1HD TYR 58 1.103 -5.270 -3.501 468 HD2 TYR 58 2HD TYR 58 -0.138 -1.489 -1.883 469 HE1 TYR 58 1HE TYR 58 0.540 -4.478 -5.783 470 HE2 TYR 58 2HE TYR 58 -0.702 -0.698 -4.166 471 HH TYR 58 HH TYR 58 -1.383 -1.997 -6.445 472 H GLU 59 H GLU 59 3.581 -4.149 1.358 473 HA GLU 59 HA GLU 59 2.251 -2.080 3.024 474 1HB GLU 59 2HB GLU 59 3.074 -3.441 4.867 475 2HB GLU 59 1HB GLU 59 2.371 -4.502 3.654 476 1HG GLU 59 2HG GLU 59 4.333 -5.650 3.800 477 2HG GLU 59 1HG GLU 59 4.984 -4.350 2.806 478 H GLN 60 H GLN 60 5.340 -2.778 1.540 479 HA GLN 60 HA GLN 60 6.928 -1.043 3.258 480 1HB GLN 60 2HB GLN 60 8.665 -1.524 1.602 481 2HB GLN 60 1HB GLN 60 7.772 -3.001 1.944 482 1HG GLN 60 2HG GLN 60 6.303 -2.248 -0.106 483 2HG GLN 60 1HG GLN 60 7.717 -1.283 -0.519 484 1HE2 GLN 60 1HE2 GLN 60 9.864 -2.859 0.074 485 2HE2 GLN 60 2HE2 GLN 60 9.800 -4.336 -0.760 486 H LYS 61 H LYS 61 4.885 -0.579 0.469 487 HA LYS 61 HA LYS 61 5.975 1.826 -0.617 488 1HB LYS 61 2HB LYS 61 4.250 0.418 -1.680 489 2HB LYS 61 1HB LYS 61 3.114 0.823 -0.395 490 1HG LYS 61 2HG LYS 61 2.948 3.078 -1.095 491 2HG LYS 61 1HG LYS 61 4.409 2.968 -2.079 492 1HD LYS 61 2HD LYS 61 3.152 1.207 -3.462 493 2HD LYS 61 1HD LYS 61 1.697 1.753 -2.627 494 1HE LYS 61 2HE LYS 61 2.263 4.113 -3.382 495 2HE LYS 61 1HE LYS 61 3.517 3.395 -4.414 496 1HZ LYS 61 1HZ LYS 61 0.644 2.632 -4.417 497 2HZ LYS 61 2HZ LYS 61 1.854 1.963 -5.406 498 3HZ LYS 61 3HZ LYS 61 1.400 3.590 -5.596 499 H ALA 62 H ALA 62 3.619 1.293 2.012 500 HA ALA 62 HA ALA 62 3.141 4.110 2.515 501 1HB ALA 62 1HB ALA 62 1.479 2.586 3.215 502 2HB ALA 62 2HB ALA 62 2.273 3.033 4.726 503 3HB ALA 62 3HB ALA 62 2.660 1.498 3.946 504 H ALA 63 H ALA 63 5.818 2.067 3.208 505 HA ALA 63 HA ALA 63 6.633 3.489 5.661 506 1HB ALA 63 1HB ALA 63 6.965 1.035 5.227 507 2HB ALA 63 2HB ALA 63 8.467 1.883 5.597 508 3HB ALA 63 3HB ALA 63 8.080 1.460 3.928 509 H LYS 64 H LYS 64 6.601 4.433 2.509 510 HA LYS 64 HA LYS 64 9.324 5.666 2.551 511 1HB LYS 64 2HB LYS 64 7.269 4.991 0.438 512 2HB LYS 64 1HB LYS 64 8.602 6.093 0.096 513 1HG LYS 64 2HG LYS 64 8.945 3.282 1.178 514 2HG LYS 64 1HG LYS 64 9.105 3.716 -0.524 515 1HD LYS 64 2HD LYS 64 10.842 5.445 0.243 516 2HD LYS 64 1HD LYS 64 10.832 4.603 1.792 517 1HE LYS 64 2HE LYS 64 12.586 3.534 0.614 518 2HE LYS 64 1HE LYS 64 11.207 2.450 0.333 519 1HZ LYS 64 1HZ LYS 64 12.047 4.679 -1.447 520 2HZ LYS 64 2HZ LYS 64 10.717 3.654 -1.705 521 3HZ LYS 64 3HZ LYS 64 12.297 3.030 -1.755 522 H LEU 65 H LEU 65 5.867 6.289 2.340 523 HA LEU 65 HA LEU 65 6.127 9.179 1.972 524 1HB LEU 65 2HB LEU 65 3.988 7.126 2.352 525 2HB LEU 65 1HB LEU 65 3.572 8.808 2.675 526 HG LEU 65 HG LEU 65 4.727 9.272 0.376 527 1HD1 LEU 65 1HD1 LEU 65 4.177 6.297 0.294 528 2HD1 LEU 65 2HD1 LEU 65 5.692 7.127 -0.062 529 3HD1 LEU 65 3HD1 LEU 65 4.325 7.274 -1.166 530 1HD2 LEU 65 1HD2 LEU 65 2.571 8.850 -0.775 531 2HD2 LEU 65 2HD2 LEU 65 2.319 9.564 0.817 532 3HD2 LEU 65 3HD2 LEU 65 2.058 7.836 0.575 533 H LYS 66 H LYS 66 6.750 7.257 4.644 534 HA LYS 66 HA LYS 66 5.506 9.037 6.655 535 1HB LYS 66 2HB LYS 66 5.667 6.477 6.733 536 2HB LYS 66 1HB LYS 66 7.388 6.699 7.052 537 1HG LYS 66 2HG LYS 66 6.981 7.816 9.101 538 2HG LYS 66 1HG LYS 66 5.286 8.102 8.703 539 1HD LYS 66 2HD LYS 66 4.715 5.816 9.014 540 2HD LYS 66 1HD LYS 66 6.405 5.311 8.994 541 1HE LYS 66 2HE LYS 66 5.496 7.260 11.098 542 2HE LYS 66 1HE LYS 66 5.168 5.528 11.310 543 1HZ LYS 66 1HZ LYS 66 7.354 6.125 12.191 544 2HZ LYS 66 2HZ LYS 66 7.818 6.716 10.667 545 3HZ LYS 66 3HZ LYS 66 7.495 5.060 10.878 546 H GLU 67 H GLU 67 8.605 8.429 5.113 547 HA GLU 67 HA GLU 67 10.145 9.968 7.096 548 1HB GLU 67 2HB GLU 67 10.606 8.404 4.587 549 2HB GLU 67 1HB GLU 67 11.835 9.579 5.059 550 1HG GLU 67 2HG GLU 67 10.753 7.642 7.090 551 2HG GLU 67 1HG GLU 67 12.011 7.130 5.965 552 H LYS 68 H LYS 68 8.272 10.673 4.278 553 HA LYS 68 HA LYS 68 9.724 13.237 3.793 554 1HB LYS 68 2HB LYS 68 7.714 11.554 2.283 555 2HB LYS 68 1HB LYS 68 8.110 13.197 1.777 556 1HG LYS 68 2HG LYS 68 10.604 12.288 2.044 557 2HG LYS 68 1HG LYS 68 9.812 10.740 1.744 558 1HD LYS 68 2HD LYS 68 10.327 11.463 -0.425 559 2HD LYS 68 1HD LYS 68 8.658 12.001 -0.236 560 1HE LYS 68 2HE LYS 68 9.384 14.261 0.305 561 2HE LYS 68 1HE LYS 68 11.084 13.749 0.312 562 1HZ LYS 68 1HZ LYS 68 10.881 13.076 -1.983 563 2HZ LYS 68 2HZ LYS 68 10.427 14.706 -1.835 564 3HZ LYS 68 3HZ LYS 68 9.240 13.503 -2.006 565 H TYR 69 H TYR 69 6.663 11.871 4.873 566 HA TYR 69 HA TYR 69 5.173 14.375 4.871 567 1HB TYR 69 2HB TYR 69 4.132 12.146 4.700 568 2HB TYR 69 1HB TYR 69 4.781 11.706 6.277 569 HD1 TYR 69 1HD TYR 69 4.055 13.068 8.317 570 HD2 TYR 69 2HD TYR 69 2.076 13.314 4.513 571 HE1 TYR 69 1HE TYR 69 2.066 14.058 9.416 572 HE2 TYR 69 2HE TYR 69 0.088 14.308 5.612 573 HH TYR 69 HH TYR 69 -0.628 14.096 8.651 574 H GLU 70 H GLU 70 6.562 12.342 7.471 575 HA GLU 70 HA GLU 70 6.084 14.254 9.581 576 1HB GLU 70 2HB GLU 70 7.758 11.780 9.194 577 2HB GLU 70 1HB GLU 70 7.864 12.702 10.694 578 1HG GLU 70 2HG GLU 70 5.302 12.558 10.777 579 2HG GLU 70 1HG GLU 70 5.442 11.328 9.520 580 H LYS 71 H LYS 71 8.419 14.292 7.066 581 HA LYS 71 HA LYS 71 10.318 15.916 8.713 582 1HB LYS 71 2HB LYS 71 10.499 14.241 6.213 583 2HB LYS 71 1HB LYS 71 11.746 15.434 6.582 584 1HG LYS 71 2HG LYS 71 11.854 14.336 8.912 585 2HG LYS 71 1HG LYS 71 10.951 13.005 8.188 586 1HD LYS 71 2HD LYS 71 12.750 12.989 6.357 587 2HD LYS 71 1HD LYS 71 13.693 14.023 7.431 588 1HE LYS 71 2HE LYS 71 12.532 11.384 8.367 589 2HE LYS 71 1HE LYS 71 14.151 11.512 7.650 590 1HZ LYS 71 1HZ LYS 71 13.157 13.108 9.952 591 2HZ LYS 71 2HZ LYS 71 14.705 13.218 9.261 592 3HZ LYS 71 3HZ LYS 71 14.228 11.799 10.063 593 H ASP 72 H ASP 72 8.345 15.931 5.764 594 HA ASP 72 HA ASP 72 9.278 18.611 4.968 595 1HB ASP 72 2HB ASP 72 8.648 16.618 3.476 596 2HB ASP 72 1HB ASP 72 6.971 16.994 3.869 597 H ILE 73 H ILE 73 6.412 17.154 6.479 598 HA ILE 73 HA ILE 73 4.679 19.421 6.287 599 HB ILE 73 HB ILE 73 4.187 16.978 6.877 600 1HG1 ILE 73 2HG1 ILE 73 2.435 17.810 8.691 601 2HG1 ILE 73 1HG1 ILE 73 3.022 19.397 8.191 602 1HG2 ILE 73 1HG2 ILE 73 5.927 17.009 8.785 603 2HG2 ILE 73 2HG2 ILE 73 4.379 16.230 9.116 604 3HG2 ILE 73 3HG2 ILE 73 4.696 17.857 9.722 605 1HD1 ILE 73 1HD1 ILE 73 1.098 18.754 6.813 606 2HD1 ILE 73 2HD1 ILE 73 1.904 17.252 6.360 607 3HD1 ILE 73 3HD1 ILE 73 2.556 18.799 5.822 608 H ALA 74 H ALA 74 7.442 18.850 8.323 609 HA ALA 74 HA ALA 74 6.748 20.574 10.532 610 1HB ALA 74 1HB ALA 74 9.250 20.503 10.869 611 2HB ALA 74 2HB ALA 74 9.379 19.660 9.325 612 3HB ALA 74 3HB ALA 74 8.516 18.911 10.670 613 H ALA 75 H ALA 75 8.689 21.110 7.576 614 HA ALA 75 HA ALA 75 8.915 23.998 8.116 615 1HB ALA 75 1HB ALA 75 10.691 22.504 7.101 616 2HB ALA 75 2HB ALA 75 10.324 23.940 6.145 617 3HB ALA 75 3HB ALA 75 9.671 22.373 5.668 618 H TYR 76 H TYR 76 6.952 21.821 6.179 619 HA TYR 76 HA TYR 76 5.914 23.671 4.261 620 1HB TYR 76 2HB TYR 76 5.739 21.162 4.266 621 2HB TYR 76 1HB TYR 76 4.551 21.290 5.565 622 HD1 TYR 76 1HD TYR 76 5.259 22.285 2.044 623 HD2 TYR 76 2HD TYR 76 2.282 21.841 5.108 624 HE1 TYR 76 1HE TYR 76 3.477 22.699 0.372 625 HE2 TYR 76 2HE TYR 76 0.499 22.255 3.435 626 HH TYR 76 HH TYR 76 0.795 23.684 0.751 627 H ARG 77 H ARG 77 5.098 23.058 7.633 628 HA ARG 77 HA ARG 77 2.566 24.489 7.619 629 1HB ARG 77 2HB ARG 77 4.521 23.539 9.726 630 2HB ARG 77 1HB ARG 77 3.028 24.376 10.148 631 1HG ARG 77 2HG ARG 77 1.681 22.670 9.135 632 2HG ARG 77 1HG ARG 77 3.089 21.919 8.383 633 1HD ARG 77 2HD ARG 77 2.792 20.538 10.253 634 2HD ARG 77 1HD ARG 77 3.920 21.740 10.910 635 HE ARG 77 HE ARG 77 2.088 22.786 12.066 636 1HH1 ARG 77 1HH1 ARG 77 1.483 19.674 12.040 637 2HH1 ARG 77 2HH1 ARG 77 -0.237 19.735 11.847 638 1HH2 ARG 77 1HH2 ARG 77 -0.285 23.087 10.960 639 2HH2 ARG 77 2HH2 ARG 77 -1.238 21.667 11.235 640 H ALA 78 H ALA 78 5.452 25.357 9.534 641 HA ALA 78 HA ALA 78 6.413 27.455 10.021 642 1HB ALA 78 1HB ALA 78 5.287 28.405 7.391 643 2HB ALA 78 2HB ALA 78 6.552 27.177 7.419 644 3HB ALA 78 3HB ALA 78 6.853 28.767 8.118 645 H LYS 79 H LYS 79 5.238 28.349 11.692 646 HA LYS 79 HA LYS 79 2.870 30.033 10.951 647 1HB LYS 79 2HB LYS 79 1.891 29.301 13.121 648 2HB LYS 79 1HB LYS 79 2.176 27.943 12.034 649 1HG LYS 79 2HG LYS 79 4.545 28.445 13.622 650 2HG LYS 79 1HG LYS 79 3.146 28.259 14.678 651 1HD LYS 79 2HD LYS 79 3.673 26.319 12.426 652 2HD LYS 79 1HD LYS 79 4.425 26.113 14.008 653 1HE LYS 79 2HE LYS 79 1.968 26.422 14.913 654 2HE LYS 79 1HE LYS 79 1.515 25.939 13.266 655 1HZ LYS 79 1HZ LYS 79 2.971 24.020 13.461 656 2HZ LYS 79 2HZ LYS 79 1.806 24.000 14.698 657 3HZ LYS 79 3HZ LYS 79 3.402 24.474 15.037 Start of MODEL 4 1 1H MET 1 1HT MET 1 -13.235 20.627 -6.840 2 2H MET 1 2HT MET 1 -13.182 19.513 -5.558 3 3H MET 1 3HT MET 1 -11.824 20.473 -5.909 4 HA MET 1 HA MET 1 -13.093 22.479 -5.306 5 1HB MET 1 2HB MET 1 -15.219 21.107 -5.961 6 2HB MET 1 1HB MET 1 -15.169 20.542 -4.290 7 1HG MET 1 2HG MET 1 -15.394 22.761 -3.433 8 2HG MET 1 1HG MET 1 -15.081 23.478 -5.013 9 1HE MET 1 1HE MET 1 -16.163 22.627 -6.973 10 2HE MET 1 2HE MET 1 -17.399 23.880 -6.893 11 3HE MET 1 3HE MET 1 -17.870 22.204 -7.164 12 H LYS 2 H LYS 2 -13.606 19.445 -3.457 13 HA LYS 2 HA LYS 2 -12.428 20.724 -1.047 14 1HB LYS 2 2HB LYS 2 -14.073 18.292 -1.701 15 2HB LYS 2 1HB LYS 2 -13.214 18.367 -0.162 16 1HG LYS 2 2HG LYS 2 -15.364 19.286 0.284 17 2HG LYS 2 1HG LYS 2 -14.289 20.678 0.144 18 1HD LYS 2 2HD LYS 2 -15.169 21.330 -1.891 19 2HD LYS 2 1HD LYS 2 -15.626 19.687 -2.340 20 1HE LYS 2 2HE LYS 2 -17.180 20.195 -0.079 21 2HE LYS 2 1HE LYS 2 -17.192 21.732 -0.965 22 1HZ LYS 2 1HZ LYS 2 -17.679 20.482 -3.003 23 2HZ LYS 2 2HZ LYS 2 -18.902 20.291 -1.838 24 3HZ LYS 2 3HZ LYS 2 -17.773 19.048 -2.100 25 H LYS 3 H LYS 3 -10.171 20.698 -1.503 26 HA LYS 3 HA LYS 3 -8.794 18.203 -1.023 27 1HB LYS 3 2HB LYS 3 -9.645 18.584 -3.608 28 2HB LYS 3 1HB LYS 3 -8.015 19.255 -3.672 29 1HG LYS 3 2HG LYS 3 -7.157 17.151 -2.626 30 2HG LYS 3 1HG LYS 3 -8.785 16.481 -2.722 31 1HD LYS 3 2HD LYS 3 -7.485 17.610 -5.186 32 2HD LYS 3 1HD LYS 3 -7.091 15.976 -4.654 33 1HE LYS 3 2HE LYS 3 -9.603 15.518 -4.583 34 2HE LYS 3 1HE LYS 3 -9.811 17.058 -5.443 35 1HZ LYS 3 1HZ LYS 3 -9.571 15.258 -7.026 36 2HZ LYS 3 2HZ LYS 3 -8.105 14.782 -6.311 37 3HZ LYS 3 3HZ LYS 3 -8.218 16.278 -7.108 38 H LYS 4 H LYS 4 -6.317 18.918 -2.224 39 HA LYS 4 HA LYS 4 -5.692 21.638 -1.270 40 1HB LYS 4 2HB LYS 4 -4.418 19.078 -0.249 41 2HB LYS 4 1HB LYS 4 -3.903 20.705 0.191 42 1HG LYS 4 2HG LYS 4 -6.374 21.055 0.917 43 2HG LYS 4 1HG LYS 4 -6.463 19.293 0.904 44 1HD LYS 4 2HD LYS 4 -4.393 19.291 2.378 45 2HD LYS 4 1HD LYS 4 -4.613 21.033 2.551 46 1HE LYS 4 2HE LYS 4 -6.848 19.078 3.158 47 2HE LYS 4 1HE LYS 4 -5.681 19.599 4.390 48 1HZ LYS 4 1HZ LYS 4 -7.595 21.081 4.341 49 2HZ LYS 4 2HZ LYS 4 -7.333 21.397 2.693 50 3HZ LYS 4 3HZ LYS 4 -6.195 21.902 3.848 51 H ASP 5 H ASP 5 -2.827 21.142 -1.348 52 HA ASP 5 HA ASP 5 -2.309 21.476 -4.163 53 1HB ASP 5 2HB ASP 5 -0.791 21.225 -1.608 54 2HB ASP 5 1HB ASP 5 0.113 20.960 -3.099 55 HA PRO 6 HA PRO 6 -1.989 17.222 -5.343 56 1HB PRO 6 2HB PRO 6 -0.351 17.440 -7.523 57 2HB PRO 6 1HB PRO 6 -2.057 17.930 -7.545 58 1HG PRO 6 2HG PRO 6 0.390 19.602 -7.289 59 2HG PRO 6 1HG PRO 6 -1.113 19.925 -8.168 60 1HD PRO 6 2HD PRO 6 -0.510 21.021 -5.740 61 2HD PRO 6 1HD PRO 6 -2.169 20.749 -6.316 62 H ASN 7 H ASN 7 1.049 19.092 -5.259 63 HA ASN 7 HA ASN 7 2.725 16.727 -4.870 64 1HB ASN 7 2HB ASN 7 3.189 19.081 -5.937 65 2HB ASN 7 1HB ASN 7 3.520 19.565 -4.274 66 1HD2 ASN 7 1HD2 ASN 7 5.241 18.808 -6.867 67 2HD2 ASN 7 2HD2 ASN 7 6.487 17.872 -6.192 68 H ALA 8 H ALA 8 0.605 18.240 -2.764 69 HA ALA 8 HA ALA 8 2.354 18.103 -0.378 70 1HB ALA 8 1HB ALA 8 0.358 19.084 0.708 71 2HB ALA 8 2HB ALA 8 -0.565 18.838 -0.776 72 3HB ALA 8 3HB ALA 8 0.780 19.978 -0.753 73 HA PRO 9 HA PRO 9 0.839 13.932 0.278 74 1HB PRO 9 2HB PRO 9 1.964 13.491 2.729 75 2HB PRO 9 1HB PRO 9 2.894 13.433 1.219 76 1HG PRO 9 2HG PRO 9 2.722 15.598 3.249 77 2HG PRO 9 1HG PRO 9 4.112 15.041 2.306 78 1HD PRO 9 2HD PRO 9 2.671 17.295 1.726 79 2HD PRO 9 1HD PRO 9 3.589 16.367 0.523 80 H LYS 10 H LYS 10 -1.407 14.628 0.533 81 HA LYS 10 HA LYS 10 -2.254 15.319 3.284 82 1HB LYS 10 2HB LYS 10 -4.306 16.086 2.152 83 2HB LYS 10 1HB LYS 10 -2.878 16.795 1.405 84 1HG LYS 10 2HG LYS 10 -3.313 14.341 0.059 85 2HG LYS 10 1HG LYS 10 -4.897 15.099 0.210 86 1HD LYS 10 2HD LYS 10 -3.981 17.191 -0.751 87 2HD LYS 10 1HD LYS 10 -2.413 16.405 -0.940 88 1HE LYS 10 2HE LYS 10 -3.170 15.001 -2.653 89 2HE LYS 10 1HE LYS 10 -4.865 15.127 -2.139 90 1HZ LYS 10 1HZ LYS 10 -4.818 17.483 -2.725 91 2HZ LYS 10 2HZ LYS 10 -4.470 16.513 -4.076 92 3HZ LYS 10 3HZ LYS 10 -3.219 17.330 -3.269 93 H ARG 11 H ARG 11 -1.488 12.596 2.505 94 HA ARG 11 HA ARG 11 -3.783 11.153 3.568 95 1HB ARG 11 2HB ARG 11 -4.364 11.657 1.151 96 2HB ARG 11 1HB ARG 11 -3.002 10.637 0.686 97 1HG ARG 11 2HG ARG 11 -4.793 9.125 0.646 98 2HG ARG 11 1HG ARG 11 -4.112 8.868 2.254 99 1HD ARG 11 2HD ARG 11 -5.863 9.995 3.324 100 2HD ARG 11 1HD ARG 11 -6.279 10.928 1.872 101 HE ARG 11 HE ARG 11 -6.587 7.993 1.672 102 1HH1 ARG 11 1HH1 ARG 11 -7.879 10.224 -0.024 103 2HH1 ARG 11 2HH1 ARG 11 -9.522 10.118 0.515 104 1HH2 ARG 11 1HH2 ARG 11 -8.757 8.225 3.319 105 2HH2 ARG 11 2HH2 ARG 11 -10.019 8.986 2.408 106 HA PRO 12 HA PRO 12 0.173 8.977 4.227 107 1HB PRO 12 2HB PRO 12 -0.490 7.900 6.649 108 2HB PRO 12 1HB PRO 12 0.136 9.550 6.462 109 1HG PRO 12 2HG PRO 12 -2.646 8.623 6.902 110 2HG PRO 12 1HG PRO 12 -1.824 10.070 7.496 111 1HD PRO 12 2HD PRO 12 -3.594 10.042 5.393 112 2HD PRO 12 1HD PRO 12 -2.347 11.282 5.646 113 HA PRO 13 HA PRO 13 -1.991 5.258 2.830 114 1HB PRO 13 2HB PRO 13 0.108 4.158 1.469 115 2HB PRO 13 1HB PRO 13 -0.901 5.454 0.803 116 1HG PRO 13 2HG PRO 13 1.840 5.569 1.878 117 2HG PRO 13 1HG PRO 13 1.051 6.594 0.673 118 1HD PRO 13 2HD PRO 13 1.503 7.225 3.377 119 2HD PRO 13 1HD PRO 13 0.481 8.123 2.239 120 H SER 14 H SER 14 -1.633 2.887 3.223 121 HA SER 14 HA SER 14 0.575 2.037 4.948 122 1HB SER 14 2HB SER 14 -0.918 3.386 6.436 123 2HB SER 14 1HB SER 14 -2.236 2.277 6.068 124 HG SER 14 HG SER 14 -1.091 1.752 8.010 125 H ALA 15 H ALA 15 0.109 0.775 2.675 126 HA ALA 15 HA ALA 15 -0.330 -1.320 1.736 127 1HB ALA 15 1HB ALA 15 0.155 -2.875 3.301 128 2HB ALA 15 2HB ALA 15 -1.464 -2.710 3.977 129 3HB ALA 15 3HB ALA 15 -0.150 -1.694 4.572 130 H PHE 16 H PHE 16 -2.917 -1.380 4.213 131 HA PHE 16 HA PHE 16 -5.027 -2.223 2.616 132 1HB PHE 16 2HB PHE 16 -4.804 -1.698 5.143 133 2HB PHE 16 1HB PHE 16 -5.326 -0.070 4.707 134 HD1 PHE 16 1HD PHE 16 -7.448 0.026 3.106 135 HD2 PHE 16 2HD PHE 16 -6.441 -3.282 5.654 136 HE1 PHE 16 1HE PHE 16 -9.805 -0.742 3.041 137 HE2 PHE 16 2HE PHE 16 -8.797 -4.051 5.588 138 HZ PHE 16 HZ PHE 16 -10.480 -2.781 4.282 139 H PHE 17 H PHE 17 -4.179 1.203 3.250 140 HA PHE 17 HA PHE 17 -6.178 2.408 1.621 141 1HB PHE 17 2HB PHE 17 -3.595 3.102 2.876 142 2HB PHE 17 1HB PHE 17 -3.997 4.091 1.472 143 HD1 PHE 17 1HD PHE 17 -4.588 3.545 4.959 144 HD2 PHE 17 2HD PHE 17 -6.378 5.109 1.382 145 HE1 PHE 17 1HE PHE 17 -6.198 4.840 6.331 146 HE2 PHE 17 2HE PHE 17 -7.989 6.404 2.753 147 HZ PHE 17 HZ PHE 17 -7.899 6.269 5.228 148 H LEU 18 H LEU 18 -2.947 1.172 0.804 149 HA LEU 18 HA LEU 18 -2.867 2.143 -1.902 150 1HB LEU 18 2HB LEU 18 -1.552 -0.319 -0.701 151 2HB LEU 18 1HB LEU 18 -0.998 0.582 -2.106 152 HG LEU 18 HG LEU 18 -1.073 1.579 0.764 153 1HD1 LEU 18 1HD1 LEU 18 1.448 1.824 0.156 154 2HD1 LEU 18 2HD1 LEU 18 1.081 0.678 -1.134 155 3HD1 LEU 18 3HD1 LEU 18 0.825 0.223 0.552 156 1HD2 LEU 18 1HD2 LEU 18 0.257 3.514 -0.416 157 2HD2 LEU 18 2HD2 LEU 18 -1.506 3.529 -0.478 158 3HD2 LEU 18 3HD2 LEU 18 -0.579 2.963 -1.868 159 H PHE 19 H PHE 19 -3.981 -0.906 -0.446 160 HA PHE 19 HA PHE 19 -4.555 -2.236 -2.958 161 1HB PHE 19 2HB PHE 19 -4.087 -3.288 -0.722 162 2HB PHE 19 1HB PHE 19 -5.660 -2.715 -0.173 163 HD1 PHE 19 1HD PHE 19 -7.749 -3.521 -1.320 164 HD2 PHE 19 2HD PHE 19 -3.885 -5.217 -2.114 165 HE1 PHE 19 1HE PHE 19 -8.830 -5.511 -2.332 166 HE2 PHE 19 2HE PHE 19 -4.965 -7.207 -3.126 167 HZ PHE 19 HZ PHE 19 -7.438 -7.353 -3.234 168 H CYS 20 H CYS 20 -6.702 -0.783 -0.478 169 HA CYS 20 HA CYS 20 -9.165 -1.126 -1.844 170 1HB CYS 20 2HB CYS 20 -8.711 -0.406 0.546 171 2HB CYS 20 1HB CYS 20 -8.356 1.204 -0.081 172 HG CYS 20 HG CYS 20 -10.828 1.469 0.236 173 H SER 21 H SER 21 -7.022 1.745 -1.831 174 HA SER 21 HA SER 21 -8.533 3.342 -3.641 175 1HB SER 21 2HB SER 21 -6.412 4.576 -3.856 176 2HB SER 21 1HB SER 21 -6.669 4.092 -2.182 177 HG SER 21 HG SER 21 -4.531 3.667 -3.332 178 H GLU 22 H GLU 22 -6.317 0.669 -4.239 179 HA GLU 22 HA GLU 22 -6.211 1.257 -7.142 180 1HB GLU 22 2HB GLU 22 -4.836 -0.522 -5.182 181 2HB GLU 22 1HB GLU 22 -4.772 -0.949 -6.889 182 1HG GLU 22 2HG GLU 22 -4.001 1.764 -5.774 183 2HG GLU 22 1HG GLU 22 -2.850 0.485 -6.163 184 H TYR 23 H TYR 23 -7.846 -0.903 -4.909 185 HA TYR 23 HA TYR 23 -8.679 -2.744 -7.073 186 1HB TYR 23 2HB TYR 23 -8.722 -2.619 -4.097 187 2HB TYR 23 1HB TYR 23 -9.983 -3.581 -4.866 188 HD1 TYR 23 1HD TYR 23 -9.518 -5.774 -5.548 189 HD2 TYR 23 2HD TYR 23 -6.280 -3.013 -4.963 190 HE1 TYR 23 1HE TYR 23 -7.888 -7.600 -5.950 191 HE2 TYR 23 2HE TYR 23 -4.651 -4.839 -5.364 192 HH TYR 23 HH TYR 23 -4.550 -7.266 -5.265 193 H ARG 24 H ARG 24 -10.083 -0.201 -5.030 194 HA ARG 24 HA ARG 24 -12.816 -0.549 -5.390 195 1HB ARG 24 2HB ARG 24 -11.023 1.859 -5.250 196 2HB ARG 24 1HB ARG 24 -12.770 2.042 -5.417 197 1HG ARG 24 2HG ARG 24 -13.177 0.813 -3.387 198 2HG ARG 24 1HG ARG 24 -11.478 0.355 -3.263 199 1HD ARG 24 2HD ARG 24 -10.884 2.364 -2.351 200 2HD ARG 24 1HD ARG 24 -11.957 3.274 -3.433 201 HE ARG 24 HE ARG 24 -13.765 1.987 -1.861 202 1HH1 ARG 24 1HH1 ARG 24 -12.029 4.757 -1.567 203 2HH1 ARG 24 2HH1 ARG 24 -12.059 4.843 0.163 204 1HH2 ARG 24 1HH2 ARG 24 -13.316 1.637 0.566 205 2HH2 ARG 24 2HH2 ARG 24 -12.787 3.078 1.371 206 HA PRO 25 HA PRO 25 -12.691 1.916 -9.588 207 1HB PRO 25 2HB PRO 25 -10.306 1.782 -10.955 208 2HB PRO 25 1HB PRO 25 -10.763 3.137 -9.899 209 1HG PRO 25 2HG PRO 25 -9.062 0.755 -9.279 210 2HG PRO 25 1HG PRO 25 -8.770 2.467 -8.916 211 1HD PRO 25 2HD PRO 25 -9.673 0.849 -7.033 212 2HD PRO 25 1HD PRO 25 -10.324 2.496 -7.169 213 H LYS 26 H LYS 26 -10.815 -0.994 -9.007 214 HA LYS 26 HA LYS 26 -11.331 -2.314 -11.537 215 1HB LYS 26 2HB LYS 26 -9.624 -2.817 -9.649 216 2HB LYS 26 1HB LYS 26 -10.976 -3.603 -8.828 217 1HG LYS 26 2HG LYS 26 -10.352 -4.301 -11.686 218 2HG LYS 26 1HG LYS 26 -9.423 -5.038 -10.380 219 1HD LYS 26 2HD LYS 26 -11.684 -5.632 -9.319 220 2HD LYS 26 1HD LYS 26 -12.399 -5.214 -10.877 221 1HE LYS 26 2HE LYS 26 -12.013 -7.517 -11.140 222 2HE LYS 26 1HE LYS 26 -10.521 -6.838 -11.819 223 1HZ LYS 26 1HZ LYS 26 -10.911 -7.648 -8.984 224 2HZ LYS 26 2HZ LYS 26 -9.486 -7.000 -9.646 225 3HZ LYS 26 3HZ LYS 26 -10.038 -8.529 -10.141 226 H ILE 27 H ILE 27 -12.862 -2.357 -8.336 227 HA ILE 27 HA ILE 27 -14.935 -4.244 -8.812 228 HB ILE 27 HB ILE 27 -14.905 -1.731 -7.093 229 1HG1 ILE 27 2HG1 ILE 27 -12.984 -3.165 -6.576 230 2HG1 ILE 27 1HG1 ILE 27 -14.160 -3.253 -5.276 231 1HG2 ILE 27 1HG2 ILE 27 -17.149 -2.598 -7.245 232 2HG2 ILE 27 2HG2 ILE 27 -16.501 -3.053 -5.668 233 3HG2 ILE 27 3HG2 ILE 27 -16.586 -4.246 -6.964 234 1HD1 ILE 27 1HD1 ILE 27 -13.498 -5.497 -5.692 235 2HD1 ILE 27 2HD1 ILE 27 -13.632 -5.291 -7.438 236 3HD1 ILE 27 3HD1 ILE 27 -15.086 -5.326 -6.440 237 H LYS 28 H LYS 28 -14.669 -0.817 -9.598 238 HA LYS 28 HA LYS 28 -17.474 -0.416 -10.165 239 1HB LYS 28 2HB LYS 28 -15.268 1.232 -11.395 240 2HB LYS 28 1HB LYS 28 -16.830 1.758 -10.789 241 1HG LYS 28 2HG LYS 28 -14.322 1.126 -9.275 242 2HG LYS 28 1HG LYS 28 -15.296 2.576 -9.202 243 1HD LYS 28 2HD LYS 28 -15.955 -0.136 -8.000 244 2HD LYS 28 1HD LYS 28 -15.592 1.353 -7.141 245 1HE LYS 28 2HE LYS 28 -17.940 1.170 -9.052 246 2HE LYS 28 1HE LYS 28 -18.085 0.771 -7.330 247 1HZ LYS 28 1HZ LYS 28 -17.057 3.320 -8.461 248 2HZ LYS 28 2HZ LYS 28 -17.077 2.928 -6.808 249 3HZ LYS 28 3HZ LYS 28 -18.536 3.108 -7.659 250 H SER 29 H SER 29 -14.671 -1.241 -12.197 251 HA SER 29 HA SER 29 -15.852 -0.953 -14.759 252 1HB SER 29 2HB SER 29 -13.449 -1.417 -14.164 253 2HB SER 29 1HB SER 29 -13.906 -3.084 -13.822 254 HG SER 29 HG SER 29 -13.974 -3.458 -15.889 255 H GLU 30 H GLU 30 -16.302 -3.447 -12.331 256 HA GLU 30 HA GLU 30 -18.006 -5.005 -14.250 257 1HB GLU 30 2HB GLU 30 -15.979 -5.650 -12.225 258 2HB GLU 30 1HB GLU 30 -17.453 -6.595 -12.032 259 1HG GLU 30 2HG GLU 30 -16.123 -6.280 -14.724 260 2HG GLU 30 1HG GLU 30 -15.645 -7.553 -13.601 261 H HIS 31 H HIS 31 -17.935 -3.285 -11.216 262 HA HIS 31 HA HIS 31 -20.800 -4.056 -10.740 263 1HB HIS 31 2HB HIS 31 -18.777 -3.189 -8.649 264 2HB HIS 31 1HB HIS 31 -20.359 -3.902 -8.372 265 HD1 HIS 31 1HD HIS 31 -16.833 -4.765 -9.165 266 HD2 HIS 31 2HD HIS 31 -20.497 -6.741 -8.942 267 HE1 HIS 31 1HE HIS 31 -16.310 -7.241 -9.168 268 HA PRO 32 HA PRO 32 -20.761 0.450 -11.480 269 1HB PRO 32 2HB PRO 32 -23.284 0.579 -12.530 270 2HB PRO 32 1HB PRO 32 -21.856 0.159 -13.492 271 1HG PRO 32 2HG PRO 32 -23.973 -1.596 -12.391 272 2HG PRO 32 1HG PRO 32 -23.059 -1.734 -13.899 273 1HD PRO 32 2HD PRO 32 -22.569 -3.207 -11.622 274 2HD PRO 32 1HD PRO 32 -21.391 -2.920 -12.918 275 H GLY 33 H GLY 33 -23.435 -1.502 -10.178 276 1HA GLY 33 2HA GLY 33 -24.623 0.648 -8.660 277 2HA GLY 33 1HA GLY 33 -24.947 -1.071 -8.440 278 H LEU 34 H LEU 34 -21.876 -1.398 -8.134 279 HA LEU 34 HA LEU 34 -21.722 -1.587 -5.318 280 1HB LEU 34 2HB LEU 34 -20.048 -1.902 -7.646 281 2HB LEU 34 1HB LEU 34 -19.124 -1.089 -6.393 282 HG LEU 34 HG LEU 34 -18.947 -3.584 -6.295 283 1HD1 LEU 34 1HD1 LEU 34 -19.938 -1.866 -4.080 284 2HD1 LEU 34 2HD1 LEU 34 -18.421 -2.751 -4.232 285 3HD1 LEU 34 3HD1 LEU 34 -19.897 -3.603 -3.783 286 1HD2 LEU 34 1HD2 LEU 34 -21.613 -3.616 -6.845 287 2HD2 LEU 34 2HD2 LEU 34 -21.653 -3.814 -5.093 288 3HD2 LEU 34 3HD2 LEU 34 -20.762 -4.964 -6.091 289 H SER 35 H SER 35 -22.592 0.488 -4.523 290 HA SER 35 HA SER 35 -21.243 3.014 -5.035 291 1HB SER 35 2HB SER 35 -23.118 2.076 -2.838 292 2HB SER 35 1HB SER 35 -22.703 3.758 -3.154 293 HG SER 35 HG SER 35 -24.683 2.970 -4.163 294 H ILE 36 H ILE 36 -20.354 4.260 -2.997 295 HA ILE 36 HA ILE 36 -17.949 3.080 -2.092 296 HB ILE 36 HB ILE 36 -19.700 5.240 -0.866 297 1HG1 ILE 36 2HG1 ILE 36 -18.997 5.693 -3.191 298 2HG1 ILE 36 1HG1 ILE 36 -18.178 6.776 -2.069 299 1HG2 ILE 36 1HG2 ILE 36 -17.466 6.020 0.100 300 2HG2 ILE 36 2HG2 ILE 36 -16.834 4.429 -0.322 301 3HG2 ILE 36 3HG2 ILE 36 -18.156 4.571 0.836 302 1HD1 ILE 36 1HD1 ILE 36 -16.230 5.147 -2.080 303 2HD1 ILE 36 2HD1 ILE 36 -16.511 5.979 -3.610 304 3HD1 ILE 36 3HD1 ILE 36 -17.037 4.308 -3.406 305 H GLY 37 H GLY 37 -21.192 2.971 -0.676 306 1HA GLY 37 2HA GLY 37 -20.540 1.966 1.898 307 2HA GLY 37 1HA GLY 37 -22.063 1.653 1.063 308 H ASP 38 H ASP 38 -21.738 0.018 -0.858 309 HA ASP 38 HA ASP 38 -20.844 -2.489 0.270 310 1HB ASP 38 2HB ASP 38 -22.017 -1.437 -2.253 311 2HB ASP 38 1HB ASP 38 -21.170 -2.979 -2.379 312 H THR 39 H THR 39 -19.428 -0.198 -2.037 313 HA THR 39 HA THR 39 -17.239 -1.822 -2.936 314 HB THR 39 HB THR 39 -17.516 1.187 -2.616 315 HG1 THR 39 1HG THR 39 -18.279 1.097 -4.689 316 1HG2 THR 39 1HG2 THR 39 -15.192 0.676 -2.952 317 2HG2 THR 39 2HG2 THR 39 -15.830 1.192 -4.513 318 3HG2 THR 39 3HG2 THR 39 -15.573 -0.523 -4.188 319 H ALA 40 H ALA 40 -17.717 0.139 -0.048 320 HA ALA 40 HA ALA 40 -14.925 0.088 0.793 321 1HB ALA 40 1HB ALA 40 -17.536 0.650 2.240 322 2HB ALA 40 2HB ALA 40 -16.502 1.846 1.458 323 3HB ALA 40 3HB ALA 40 -15.935 0.992 2.893 324 H LYS 41 H LYS 41 -17.871 -1.710 1.720 325 HA LYS 41 HA LYS 41 -16.348 -3.438 3.540 326 1HB LYS 41 2HB LYS 41 -18.548 -4.349 4.064 327 2HB LYS 41 1HB LYS 41 -18.633 -2.591 4.021 328 1HG LYS 41 2HG LYS 41 -19.392 -2.840 1.586 329 2HG LYS 41 1HG LYS 41 -19.596 -4.553 1.933 330 1HD LYS 41 2HD LYS 41 -21.731 -3.499 2.296 331 2HD LYS 41 1HD LYS 41 -21.066 -3.893 3.880 332 1HE LYS 41 2HE LYS 41 -20.046 -1.347 3.412 333 2HE LYS 41 1HE LYS 41 -21.687 -1.262 2.739 334 1HZ LYS 41 1HZ LYS 41 -20.966 -2.321 5.422 335 2HZ LYS 41 2HZ LYS 41 -22.534 -2.275 4.766 336 3HZ LYS 41 3HZ LYS 41 -21.715 -0.829 5.120 337 H LYS 42 H LYS 42 -17.157 -3.542 0.162 338 HA LYS 42 HA LYS 42 -17.129 -6.489 0.006 339 1HB LYS 42 2HB LYS 42 -18.546 -4.945 -1.405 340 2HB LYS 42 1HB LYS 42 -17.064 -4.358 -2.156 341 1HG LYS 42 2HG LYS 42 -18.160 -6.104 -3.524 342 2HG LYS 42 1HG LYS 42 -16.565 -6.617 -2.982 343 1HD LYS 42 2HD LYS 42 -17.418 -8.351 -1.804 344 2HD LYS 42 1HD LYS 42 -18.643 -7.331 -1.053 345 1HE LYS 42 2HE LYS 42 -20.226 -8.215 -2.408 346 2HE LYS 42 1HE LYS 42 -19.316 -7.696 -3.840 347 1HZ LYS 42 1HZ LYS 42 -18.750 -10.133 -2.232 348 2HZ LYS 42 2HZ LYS 42 -17.896 -9.630 -3.612 349 3HZ LYS 42 3HZ LYS 42 -19.519 -10.118 -3.744 350 H LEU 43 H LEU 43 -14.719 -4.347 0.600 351 HA LEU 43 HA LEU 43 -12.753 -5.561 -1.289 352 1HB LEU 43 2HB LEU 43 -13.004 -3.037 0.313 353 2HB LEU 43 1HB LEU 43 -11.386 -3.613 -0.095 354 HG LEU 43 HG LEU 43 -13.573 -3.310 -2.163 355 1HD1 LEU 43 1HD1 LEU 43 -11.347 -1.332 -1.937 356 2HD1 LEU 43 2HD1 LEU 43 -12.693 -1.176 -0.808 357 3HD1 LEU 43 3HD1 LEU 43 -12.988 -1.112 -2.545 358 1HD2 LEU 43 1HD2 LEU 43 -10.560 -3.634 -2.248 359 2HD2 LEU 43 2HD2 LEU 43 -11.526 -3.199 -3.657 360 3HD2 LEU 43 3HD2 LEU 43 -11.773 -4.755 -2.864 361 H GLY 44 H GLY 44 -13.619 -5.235 2.109 362 1HA GLY 44 2HA GLY 44 -11.178 -6.265 3.228 363 2HA GLY 44 1HA GLY 44 -12.742 -6.237 4.043 364 H GLU 45 H GLU 45 -14.035 -7.773 1.846 365 HA GLU 45 HA GLU 45 -13.912 -10.395 2.851 366 1HB GLU 45 2HB GLU 45 -15.523 -9.237 1.194 367 2HB GLU 45 1HB GLU 45 -14.379 -9.722 -0.058 368 1HG GLU 45 2HG GLU 45 -14.566 -12.092 0.881 369 2HG GLU 45 1HG GLU 45 -15.948 -11.508 1.809 370 H MET 46 H MET 46 -12.071 -9.011 0.117 371 HA MET 46 HA MET 46 -10.544 -11.507 -0.264 372 1HB MET 46 2HB MET 46 -10.632 -8.755 -1.514 373 2HB MET 46 1HB MET 46 -9.407 -9.936 -1.977 374 1HG MET 46 2HG MET 46 -11.206 -11.556 -2.533 375 2HG MET 46 1HG MET 46 -12.409 -10.329 -2.135 376 1HE MET 46 1HE MET 46 -12.612 -11.595 -5.022 377 2HE MET 46 2HE MET 46 -10.979 -12.141 -4.644 378 3HE MET 46 3HE MET 46 -11.272 -11.214 -6.113 379 H TRP 47 H TRP 47 -9.964 -8.182 0.877 380 HA TRP 47 HA TRP 47 -7.178 -8.282 1.319 381 1HB TRP 47 2HB TRP 47 -8.689 -6.301 1.488 382 2HB TRP 47 1HB TRP 47 -9.310 -6.940 3.010 383 HD1 TRP 47 HD TRP 47 -8.078 -6.210 5.110 384 HE1 TRP 47 1HE TRP 47 -5.781 -5.162 5.630 385 HE3 TRP 47 3HE TRP 47 -6.010 -6.255 0.440 386 HZ2 TRP 47 2HZ TRP 47 -3.384 -4.437 4.248 387 HZ3 TRP 47 3HZ TRP 47 -3.721 -5.380 0.070 388 HH2 TRP 47 HH TRP 47 -2.406 -4.473 1.966 389 H SER 48 H SER 48 -9.751 -9.856 3.118 390 HA SER 48 HA SER 48 -7.964 -10.440 5.415 391 1HB SER 48 2HB SER 48 -10.324 -9.743 5.731 392 2HB SER 48 1HB SER 48 -10.855 -11.139 4.796 393 HG SER 48 HG SER 48 -10.275 -12.453 6.404 394 H GLU 49 H GLU 49 -9.508 -12.020 2.652 395 HA GLU 49 HA GLU 49 -9.002 -14.749 3.365 396 1HB GLU 49 2HB GLU 49 -9.355 -13.216 0.783 397 2HB GLU 49 1HB GLU 49 -9.098 -14.960 0.780 398 1HG GLU 49 2HG GLU 49 -11.224 -13.723 2.520 399 2HG GLU 49 1HG GLU 49 -11.546 -14.090 0.826 400 H GLN 50 H GLN 50 -7.028 -12.300 1.725 401 HA GLN 50 HA GLN 50 -4.860 -13.990 0.903 402 1HB GLN 50 2HB GLN 50 -5.088 -11.058 1.644 403 2HB GLN 50 1HB GLN 50 -3.633 -11.761 0.938 404 1HG GLN 50 2HG GLN 50 -6.369 -11.988 -0.340 405 2HG GLN 50 1HG GLN 50 -5.223 -10.706 -0.734 406 1HE2 GLN 50 1HE2 GLN 50 -3.480 -11.222 -2.137 407 2HE2 GLN 50 2HE2 GLN 50 -3.219 -12.774 -2.774 408 H SER 51 H SER 51 -2.767 -14.226 1.927 409 HA SER 51 HA SER 51 -2.916 -14.201 4.911 410 1HB SER 51 2HB SER 51 -1.031 -15.656 3.029 411 2HB SER 51 1HB SER 51 -1.250 -15.971 4.749 412 HG SER 51 HG SER 51 -3.195 -16.841 4.353 413 H ALA 52 H ALA 52 0.015 -14.446 5.119 414 HA ALA 52 HA ALA 52 0.691 -11.583 4.976 415 1HB ALA 52 1HB ALA 52 1.205 -13.106 6.904 416 2HB ALA 52 2HB ALA 52 2.642 -12.317 6.255 417 3HB ALA 52 3HB ALA 52 2.304 -14.002 5.855 418 H LYS 53 H LYS 53 0.344 -12.342 2.381 419 HA LYS 53 HA LYS 53 3.142 -12.616 1.335 420 1HB LYS 53 2HB LYS 53 0.540 -13.917 0.509 421 2HB LYS 53 1HB LYS 53 1.927 -13.847 -0.580 422 1HG LYS 53 2HG LYS 53 3.308 -15.054 1.009 423 2HG LYS 53 1HG LYS 53 2.027 -15.003 2.220 424 1HD LYS 53 2HD LYS 53 0.567 -16.310 0.668 425 2HD LYS 53 1HD LYS 53 1.930 -16.448 -0.443 426 1HE LYS 53 2HE LYS 53 2.264 -17.292 2.431 427 2HE LYS 53 1HE LYS 53 1.522 -18.397 1.257 428 1HZ LYS 53 1HZ LYS 53 4.130 -17.010 0.922 429 2HZ LYS 53 2HZ LYS 53 3.405 -18.038 -0.219 430 3HZ LYS 53 3HZ LYS 53 3.929 -18.656 1.274 431 H ASP 54 H ASP 54 -0.197 -11.672 0.405 432 HA ASP 54 HA ASP 54 0.699 -9.933 -1.746 433 1HB ASP 54 2HB ASP 54 -1.510 -11.201 -1.442 434 2HB ASP 54 1HB ASP 54 -1.969 -9.916 -0.325 435 H LYS 55 H LYS 55 0.141 -9.456 1.694 436 HA LYS 55 HA LYS 55 -0.015 -6.518 1.421 437 1HB LYS 55 2HB LYS 55 -0.101 -8.529 3.676 438 2HB LYS 55 1HB LYS 55 -0.086 -6.793 3.982 439 1HG LYS 55 2HG LYS 55 -2.348 -6.968 3.803 440 2HG LYS 55 1HG LYS 55 -2.034 -6.967 2.068 441 1HD LYS 55 2HD LYS 55 -3.401 -8.873 2.421 442 2HD LYS 55 1HD LYS 55 -1.764 -9.520 2.294 443 1HE LYS 55 2HE LYS 55 -1.585 -9.833 4.648 444 2HE LYS 55 1HE LYS 55 -2.994 -8.802 4.968 445 1HZ LYS 55 1HZ LYS 55 -2.992 -11.404 3.532 446 2HZ LYS 55 2HZ LYS 55 -4.341 -10.379 3.660 447 3HZ LYS 55 3HZ LYS 55 -3.677 -11.092 5.053 448 H GLN 56 H GLN 56 2.261 -8.960 2.677 449 HA GLN 56 HA GLN 56 4.205 -7.488 3.954 450 1HB GLN 56 2HB GLN 56 4.169 -9.871 2.169 451 2HB GLN 56 1HB GLN 56 5.751 -9.205 2.574 452 1HG GLN 56 2HG GLN 56 3.668 -9.758 4.691 453 2HG GLN 56 1HG GLN 56 4.814 -10.992 4.167 454 1HE2 GLN 56 1HE2 GLN 56 7.228 -10.058 4.115 455 2HE2 GLN 56 2HE2 GLN 56 7.669 -9.144 5.475 456 HA PRO 57 HA PRO 57 6.483 -6.219 -0.055 457 1HB PRO 57 2HB PRO 57 5.237 -6.589 -2.461 458 2HB PRO 57 1HB PRO 57 6.298 -7.808 -1.726 459 1HG PRO 57 2HG PRO 57 3.328 -7.652 -1.748 460 2HG PRO 57 1HG PRO 57 4.381 -9.061 -1.948 461 1HD PRO 57 2HD PRO 57 3.107 -8.496 0.373 462 2HD PRO 57 1HD PRO 57 4.678 -9.324 0.315 463 H TYR 58 H TYR 58 2.949 -5.982 -0.225 464 HA TYR 58 HA TYR 58 2.924 -3.311 -1.388 465 1HB TYR 58 2HB TYR 58 1.158 -5.424 -0.984 466 2HB TYR 58 1HB TYR 58 0.557 -4.189 0.119 467 HD1 TYR 58 1HD TYR 58 -0.891 -2.561 -0.726 468 HD2 TYR 58 2HD TYR 58 1.843 -4.529 -3.391 469 HE1 TYR 58 1HE TYR 58 -1.882 -1.344 -2.646 470 HE2 TYR 58 2HE TYR 58 0.850 -3.312 -5.310 471 HH TYR 58 HH TYR 58 -1.591 -2.209 -5.720 472 H GLU 59 H GLU 59 3.587 -4.462 1.768 473 HA GLU 59 HA GLU 59 2.425 -2.266 3.297 474 1HB GLU 59 2HB GLU 59 4.331 -4.547 3.745 475 2HB GLU 59 1HB GLU 59 4.209 -3.285 4.968 476 1HG GLU 59 2HG GLU 59 1.719 -4.571 3.874 477 2HG GLU 59 1HG GLU 59 2.641 -5.368 5.145 478 H GLN 60 H GLN 60 5.827 -3.161 2.587 479 HA GLN 60 HA GLN 60 7.149 -0.898 3.530 480 1HB GLN 60 2HB GLN 60 8.874 -1.504 1.834 481 2HB GLN 60 1HB GLN 60 8.236 -2.915 2.672 482 1HG GLN 60 2HG GLN 60 6.844 -3.501 0.813 483 2HG GLN 60 1HG GLN 60 7.146 -1.957 0.017 484 1HE2 GLN 60 1HE2 GLN 60 9.021 -4.784 1.264 485 2HE2 GLN 60 2HE2 GLN 60 10.154 -4.769 0.000 486 H LYS 61 H LYS 61 5.230 -1.149 0.576 487 HA LYS 61 HA LYS 61 6.174 1.127 -0.845 488 1HB LYS 61 2HB LYS 61 4.601 -0.598 -1.690 489 2HB LYS 61 1HB LYS 61 3.363 -0.001 -0.584 490 1HG LYS 61 2HG LYS 61 3.213 2.090 -1.719 491 2HG LYS 61 1HG LYS 61 4.692 1.786 -2.629 492 1HD LYS 61 2HD LYS 61 3.357 -0.331 -3.485 493 2HD LYS 61 1HD LYS 61 1.953 0.635 -3.026 494 1HE LYS 61 2HE LYS 61 2.995 2.541 -4.396 495 2HE LYS 61 1HE LYS 61 4.092 1.314 -5.060 496 1HZ LYS 61 1HZ LYS 61 2.075 1.502 -6.398 497 2HZ LYS 61 2HZ LYS 61 1.123 1.143 -5.038 498 3HZ LYS 61 3HZ LYS 61 2.181 -0.026 -5.672 499 H ALA 62 H ALA 62 3.429 0.930 1.455 500 HA ALA 62 HA ALA 62 3.073 3.813 1.542 501 1HB ALA 62 1HB ALA 62 1.157 2.553 2.027 502 2HB ALA 62 2HB ALA 62 1.702 3.010 3.640 503 3HB ALA 62 3HB ALA 62 2.054 1.399 3.016 504 H ALA 63 H ALA 63 5.378 1.725 2.962 505 HA ALA 63 HA ALA 63 5.757 3.259 5.437 506 1HB ALA 63 1HB ALA 63 6.152 0.767 5.064 507 2HB ALA 63 2HB ALA 63 7.487 1.631 5.826 508 3HB ALA 63 3HB ALA 63 7.566 1.220 4.113 509 H LYS 64 H LYS 64 6.443 3.930 2.209 510 HA LYS 64 HA LYS 64 9.039 5.278 2.795 511 1HB LYS 64 2HB LYS 64 7.530 4.340 0.351 512 2HB LYS 64 1HB LYS 64 8.887 5.451 0.213 513 1HG LYS 64 2HG LYS 64 9.046 2.805 1.671 514 2HG LYS 64 1HG LYS 64 9.488 2.997 -0.026 515 1HD LYS 64 2HD LYS 64 11.444 4.045 0.469 516 2HD LYS 64 1HD LYS 64 10.718 4.995 1.766 517 1HE LYS 64 2HE LYS 64 10.770 2.987 3.242 518 2HE LYS 64 1HE LYS 64 11.579 2.084 1.946 519 1HZ LYS 64 1HZ LYS 64 13.378 3.603 1.947 520 2HZ LYS 64 2HZ LYS 64 13.112 3.190 3.574 521 3HZ LYS 64 3HZ LYS 64 12.570 4.684 2.974 522 H LEU 65 H LEU 65 5.694 5.764 1.899 523 HA LEU 65 HA LEU 65 6.040 8.639 1.313 524 1HB LEU 65 2HB LEU 65 3.858 6.575 1.229 525 2HB LEU 65 1HB LEU 65 3.421 8.285 1.214 526 HG LEU 65 HG LEU 65 5.289 8.419 -0.651 527 1HD1 LEU 65 1HD1 LEU 65 4.974 6.212 -2.031 528 2HD1 LEU 65 2HD1 LEU 65 4.563 5.505 -0.469 529 3HD1 LEU 65 3HD1 LEU 65 6.147 6.241 -0.715 530 1HD2 LEU 65 1HD2 LEU 65 2.759 8.800 -0.814 531 2HD2 LEU 65 2HD2 LEU 65 2.643 7.119 -1.339 532 3HD2 LEU 65 3HD2 LEU 65 3.561 8.281 -2.297 533 H LYS 66 H LYS 66 5.564 6.666 4.081 534 HA LYS 66 HA LYS 66 3.918 8.546 5.608 535 1HB LYS 66 2HB LYS 66 3.911 6.080 5.938 536 2HB LYS 66 1HB LYS 66 5.610 6.149 6.408 537 1HG LYS 66 2HG LYS 66 4.713 6.293 8.510 538 2HG LYS 66 1HG LYS 66 4.613 8.005 8.095 539 1HD LYS 66 2HD LYS 66 2.435 7.516 8.837 540 2HD LYS 66 1HD LYS 66 2.294 7.390 7.083 541 1HE LYS 66 2HE LYS 66 2.373 4.995 7.151 542 2HE LYS 66 1HE LYS 66 2.885 4.996 8.851 543 1HZ LYS 66 1HZ LYS 66 0.812 6.106 9.432 544 2HZ LYS 66 2HZ LYS 66 0.502 4.616 8.679 545 3HZ LYS 66 3HZ LYS 66 0.312 6.064 7.811 546 H GLU 67 H GLU 67 7.341 7.780 5.174 547 HA GLU 67 HA GLU 67 8.353 9.333 7.391 548 1HB GLU 67 2HB GLU 67 9.392 8.133 4.843 549 2HB GLU 67 1HB GLU 67 10.423 9.261 5.724 550 1HG GLU 67 2HG GLU 67 9.100 6.857 7.005 551 2HG GLU 67 1HG GLU 67 10.747 6.842 6.373 552 H LYS 68 H LYS 68 8.421 10.046 3.873 553 HA LYS 68 HA LYS 68 9.179 12.769 4.061 554 1HB LYS 68 2HB LYS 68 7.442 11.307 2.045 555 2HB LYS 68 1HB LYS 68 8.205 12.873 1.762 556 1HG LYS 68 2HG LYS 68 9.974 10.681 2.726 557 2HG LYS 68 1HG LYS 68 9.381 10.551 1.069 558 1HD LYS 68 2HD LYS 68 10.637 13.083 2.145 559 2HD LYS 68 1HD LYS 68 11.583 11.815 1.366 560 1HE LYS 68 2HE LYS 68 10.112 12.008 -0.653 561 2HE LYS 68 1HE LYS 68 9.291 13.377 0.123 562 1HZ LYS 68 1HZ LYS 68 11.133 14.130 -1.271 563 2HZ LYS 68 2HZ LYS 68 12.216 13.177 -0.374 564 3HZ LYS 68 3HZ LYS 68 11.420 14.485 0.362 565 H TYR 69 H TYR 69 6.061 11.257 4.604 566 HA TYR 69 HA TYR 69 4.451 13.665 4.318 567 1HB TYR 69 2HB TYR 69 3.512 11.428 4.070 568 2HB TYR 69 1HB TYR 69 4.056 10.978 5.682 569 HD1 TYR 69 1HD TYR 69 2.389 14.143 4.552 570 HD2 TYR 69 2HD TYR 69 2.077 10.549 6.884 571 HE1 TYR 69 1HE TYR 69 0.250 14.950 5.507 572 HE2 TYR 69 2HE TYR 69 -0.062 11.360 7.841 573 HH TYR 69 HH TYR 69 -1.951 13.302 6.737 574 H GLU 70 H GLU 70 5.130 11.743 7.236 575 HA GLU 70 HA GLU 70 4.471 13.781 9.124 576 1HB GLU 70 2HB GLU 70 6.268 11.343 9.253 577 2HB GLU 70 1HB GLU 70 5.781 12.269 10.673 578 1HG GLU 70 2HG GLU 70 3.394 11.866 10.077 579 2HG GLU 70 1HG GLU 70 3.927 10.859 8.731 580 H LYS 71 H LYS 71 7.321 13.425 7.163 581 HA LYS 71 HA LYS 71 8.971 15.094 8.990 582 1HB LYS 71 2HB LYS 71 9.633 12.935 7.673 583 2HB LYS 71 1HB LYS 71 9.778 14.026 6.295 584 1HG LYS 71 2HG LYS 71 11.367 15.422 7.538 585 2HG LYS 71 1HG LYS 71 11.200 14.379 8.950 586 1HD LYS 71 2HD LYS 71 12.032 13.244 6.285 587 2HD LYS 71 1HD LYS 71 13.220 13.971 7.368 588 1HE LYS 71 2HE LYS 71 11.298 11.902 8.428 589 2HE LYS 71 1HE LYS 71 12.777 11.403 7.582 590 1HZ LYS 71 1HZ LYS 71 13.185 11.699 9.956 591 2HZ LYS 71 2HZ LYS 71 12.652 13.309 9.860 592 3HZ LYS 71 3HZ LYS 71 14.063 12.828 9.045 593 H ASP 72 H ASP 72 7.162 15.333 5.995 594 HA ASP 72 HA ASP 72 8.379 18.001 5.412 595 1HB ASP 72 2HB ASP 72 8.215 16.123 3.705 596 2HB ASP 72 1HB ASP 72 6.465 16.349 3.745 597 H ILE 73 H ILE 73 5.328 16.435 6.272 598 HA ILE 73 HA ILE 73 3.576 18.634 5.717 599 HB ILE 73 HB ILE 73 2.985 16.222 6.161 600 1HG1 ILE 73 2HG1 ILE 73 0.969 16.827 7.632 601 2HG1 ILE 73 1HG1 ILE 73 1.650 18.454 7.695 602 1HG2 ILE 73 1HG2 ILE 73 3.148 16.911 9.092 603 2HG2 ILE 73 2HG2 ILE 73 4.512 16.169 8.256 604 3HG2 ILE 73 3HG2 ILE 73 2.966 15.325 8.343 605 1HD1 ILE 73 1HD1 ILE 73 -0.013 18.197 5.855 606 2HD1 ILE 73 2HD1 ILE 73 1.008 16.949 5.141 607 3HD1 ILE 73 3HD1 ILE 73 1.594 18.608 5.256 608 H ALA 74 H ALA 74 5.754 17.976 8.392 609 HA ALA 74 HA ALA 74 4.627 19.808 10.315 610 1HB ALA 74 1HB ALA 74 6.972 19.616 11.270 611 2HB ALA 74 2HB ALA 74 7.405 18.681 9.839 612 3HB ALA 74 3HB ALA 74 6.187 18.068 10.957 613 H ALA 75 H ALA 75 7.482 20.150 8.174 614 HA ALA 75 HA ALA 75 7.838 22.969 8.648 615 1HB ALA 75 1HB ALA 75 8.663 21.101 6.401 616 2HB ALA 75 2HB ALA 75 9.619 21.535 7.819 617 3HB ALA 75 3HB ALA 75 9.276 22.746 6.583 618 H TYR 76 H TYR 76 5.748 21.141 6.516 619 HA TYR 76 HA TYR 76 5.186 23.198 4.575 620 1HB TYR 76 2HB TYR 76 4.747 20.737 4.365 621 2HB TYR 76 1HB TYR 76 3.463 20.898 5.563 622 HD1 TYR 76 1HD TYR 76 1.421 22.202 5.057 623 HD2 TYR 76 2HD TYR 76 4.477 21.564 2.107 624 HE1 TYR 76 1HE TYR 76 -0.152 22.911 3.274 625 HE2 TYR 76 2HE TYR 76 2.905 22.272 0.325 626 HH TYR 76 HH TYR 76 0.834 23.707 0.167 627 H ARG 77 H ARG 77 3.678 22.274 7.664 628 HA ARG 77 HA ARG 77 1.733 24.512 7.445 629 1HB ARG 77 2HB ARG 77 2.107 22.036 9.094 630 2HB ARG 77 1HB ARG 77 1.092 23.331 9.729 631 1HG ARG 77 2HG ARG 77 -0.282 23.284 7.699 632 2HG ARG 77 1HG ARG 77 0.753 22.032 7.010 633 1HD ARG 77 2HD ARG 77 -0.112 20.378 8.374 634 2HD ARG 77 1HD ARG 77 -0.431 21.504 9.708 635 HE ARG 77 HE ARG 77 -2.299 22.433 8.247 636 1HH1 ARG 77 1HH2 ARG 77 -1.786 20.919 5.767 637 2HH1 ARG 77 2HH2 ARG 77 -2.873 19.576 5.898 638 1HH2 ARG 77 1HH1 ARG 77 -3.383 19.983 9.304 639 2HH2 ARG 77 2HH1 ARG 77 -3.776 19.047 7.901 640 H ALA 78 H ALA 78 4.868 24.477 8.280 641 HA ALA 78 HA ALA 78 6.221 25.723 9.757 642 1HB ALA 78 1HB ALA 78 3.759 27.435 10.111 643 2HB ALA 78 2HB ALA 78 4.621 27.382 8.572 644 3HB ALA 78 3HB ALA 78 5.445 27.946 10.026 645 H LYS 79 H LYS 79 6.216 24.011 11.409 646 HA LYS 79 HA LYS 79 4.234 24.160 13.584 647 1HB LYS 79 2HB LYS 79 6.674 22.486 13.012 648 2HB LYS 79 1HB LYS 79 5.661 22.255 14.434 649 1HG LYS 79 2HG LYS 79 4.515 22.252 11.639 650 2HG LYS 79 1HG LYS 79 5.134 20.783 12.394 651 1HD LYS 79 2HD LYS 79 3.038 22.562 13.666 652 2HD LYS 79 1HD LYS 79 2.654 21.136 12.703 653 1HE LYS 79 2HE LYS 79 4.304 19.901 14.328 654 2HE LYS 79 1HE LYS 79 3.996 21.286 15.395 655 1HZ LYS 79 1HZ LYS 79 1.642 20.935 15.177 656 2HZ LYS 79 2HZ LYS 79 2.359 19.484 15.693 657 3HZ LYS 79 3HZ LYS 79 1.881 19.670 14.074 Start of MODEL 5 1 1H MET 1 1HT MET 1 -9.285 14.758 -2.931 2 2H MET 1 2HT MET 1 -10.584 14.563 -4.009 3 3H MET 1 3HT MET 1 -9.019 14.858 -4.603 4 HA MET 1 HA MET 1 -9.898 12.407 -3.157 5 1HB MET 1 2HB MET 1 -10.609 13.067 -5.607 6 2HB MET 1 1HB MET 1 -8.944 12.635 -6.000 7 1HG MET 1 2HG MET 1 -10.231 10.638 -6.293 8 2HG MET 1 1HG MET 1 -9.356 10.439 -4.775 9 1HE MET 1 1HE MET 1 -11.554 8.499 -3.706 10 2HE MET 1 2HE MET 1 -11.191 8.677 -5.420 11 3HE MET 1 3HE MET 1 -12.863 8.745 -4.870 12 H LYS 2 H LYS 2 -8.028 12.586 -1.723 13 HA LYS 2 HA LYS 2 -5.773 12.241 -1.111 14 1HB LYS 2 2HB LYS 2 -6.422 10.579 -3.474 15 2HB LYS 2 1HB LYS 2 -4.699 10.780 -3.156 16 1HG LYS 2 2HG LYS 2 -5.319 8.868 -1.893 17 2HG LYS 2 1HG LYS 2 -5.254 10.179 -0.715 18 1HD LYS 2 2HD LYS 2 -7.315 9.252 -0.190 19 2HD LYS 2 1HD LYS 2 -7.808 10.459 -1.379 20 1HE LYS 2 2HE LYS 2 -7.189 8.304 -2.983 21 2HE LYS 2 1HE LYS 2 -7.884 7.526 -1.546 22 1HZ LYS 2 1HZ LYS 2 -9.557 8.285 -3.229 23 2HZ LYS 2 2HZ LYS 2 -9.103 9.883 -2.871 24 3HZ LYS 2 3HZ LYS 2 -9.791 8.903 -1.666 25 H LYS 3 H LYS 3 -5.906 14.753 -1.918 26 HA LYS 3 HA LYS 3 -3.349 15.306 -3.142 27 1HB LYS 3 2HB LYS 3 -4.847 14.631 -5.073 28 2HB LYS 3 1HB LYS 3 -5.835 16.048 -4.713 29 1HG LYS 3 2HG LYS 3 -3.670 17.411 -4.903 30 2HG LYS 3 1HG LYS 3 -2.954 15.971 -5.625 31 1HD LYS 3 2HD LYS 3 -4.581 15.976 -7.415 32 2HD LYS 3 1HD LYS 3 -5.492 17.275 -6.642 33 1HE LYS 3 2HE LYS 3 -3.475 18.759 -6.875 34 2HE LYS 3 1HE LYS 3 -2.693 17.468 -7.809 35 1HZ LYS 3 1HZ LYS 3 -3.881 19.003 -9.266 36 2HZ LYS 3 2HZ LYS 3 -5.329 18.697 -8.430 37 3HZ LYS 3 3HZ LYS 3 -4.579 17.457 -9.317 38 H LYS 4 H LYS 4 -3.777 16.278 -0.828 39 HA LYS 4 HA LYS 4 -5.489 18.505 -0.413 40 1HB LYS 4 2HB LYS 4 -3.075 17.288 0.800 41 2HB LYS 4 1HB LYS 4 -3.344 18.984 1.209 42 1HG LYS 4 2HG LYS 4 -5.804 18.232 1.658 43 2HG LYS 4 1HG LYS 4 -5.115 16.611 1.749 44 1HD LYS 4 2HD LYS 4 -3.957 17.059 3.685 45 2HD LYS 4 1HD LYS 4 -3.728 18.760 3.278 46 1HE LYS 4 2HE LYS 4 -6.521 17.805 3.812 47 2HE LYS 4 1HE LYS 4 -5.437 18.075 5.191 48 1HZ LYS 4 1HZ LYS 4 -6.539 20.131 4.622 49 2HZ LYS 4 2HZ LYS 4 -6.022 20.007 3.009 50 3HZ LYS 4 3HZ LYS 4 -4.889 20.258 4.251 51 H ASP 5 H ASP 5 -1.949 18.921 -0.563 52 HA ASP 5 HA ASP 5 -2.395 21.336 -2.293 53 1HB ASP 5 2HB ASP 5 -0.791 20.782 0.171 54 2HB ASP 5 1HB ASP 5 -0.153 21.951 -0.985 55 HA PRO 6 HA PRO 6 0.528 19.580 -5.099 56 1HB PRO 6 2HB PRO 6 1.694 21.817 -6.140 57 2HB PRO 6 1HB PRO 6 0.046 21.305 -6.551 58 1HG PRO 6 2HG PRO 6 0.961 23.421 -4.675 59 2HG PRO 6 1HG PRO 6 -0.431 23.405 -5.768 60 1HD PRO 6 2HD PRO 6 -0.604 22.957 -3.079 61 2HD PRO 6 1HD PRO 6 -1.761 22.317 -4.266 62 H ASN 7 H ASN 7 1.587 21.596 -2.489 63 HA ASN 7 HA ASN 7 4.427 20.733 -2.895 64 1HB ASN 7 2HB ASN 7 3.092 23.105 -1.582 65 2HB ASN 7 1HB ASN 7 4.780 22.707 -1.262 66 1HD2 ASN 7 1HD2 ASN 7 6.063 22.256 -3.467 67 2HD2 ASN 7 2HD2 ASN 7 5.773 23.381 -4.704 68 H ALA 8 H ALA 8 1.648 20.601 -0.778 69 HA ALA 8 HA ALA 8 3.204 19.605 1.530 70 1HB ALA 8 1HB ALA 8 1.270 20.077 2.699 71 2HB ALA 8 2HB ALA 8 0.226 19.505 1.398 72 3HB ALA 8 3HB ALA 8 0.974 21.099 1.293 73 HA PRO 9 HA PRO 9 2.658 15.394 0.220 74 1HB PRO 9 2HB PRO 9 3.227 14.117 2.567 75 2HB PRO 9 1HB PRO 9 4.475 14.856 1.545 76 1HG PRO 9 2HG PRO 9 3.234 15.868 4.047 77 2HG PRO 9 1HG PRO 9 4.902 16.014 3.472 78 1HD PRO 9 2HD PRO 9 3.035 18.022 3.329 79 2HD PRO 9 1HD PRO 9 4.453 17.894 2.267 80 H LYS 10 H LYS 10 0.716 14.369 -0.035 81 HA LYS 10 HA LYS 10 -1.646 14.944 1.408 82 1HB LYS 10 2HB LYS 10 -2.510 12.931 0.239 83 2HB LYS 10 1HB LYS 10 -1.547 13.941 -0.836 84 1HG LYS 10 2HG LYS 10 0.127 12.005 0.558 85 2HG LYS 10 1HG LYS 10 -1.171 11.204 -0.324 86 1HD LYS 10 2HD LYS 10 -0.487 12.816 -2.273 87 2HD LYS 10 1HD LYS 10 1.034 12.945 -1.388 88 1HE LYS 10 2HE LYS 10 1.416 11.117 -2.843 89 2HE LYS 10 1HE LYS 10 0.926 10.319 -1.335 90 1HZ LYS 10 1HZ LYS 10 -0.881 11.059 -3.577 91 2HZ LYS 10 2HZ LYS 10 -1.368 10.341 -2.116 92 3HZ LYS 10 3HZ LYS 10 -0.373 9.486 -3.196 93 H ARG 11 H ARG 11 -2.859 12.673 2.271 94 HA ARG 11 HA ARG 11 -1.767 12.243 4.901 95 1HB ARG 11 2HB ARG 11 -4.035 11.320 3.219 96 2HB ARG 11 1HB ARG 11 -3.585 10.249 4.548 97 1HG ARG 11 2HG ARG 11 -5.117 11.695 5.575 98 2HG ARG 11 1HG ARG 11 -3.572 12.450 5.970 99 1HD ARG 11 2HD ARG 11 -3.884 14.197 4.453 100 2HD ARG 11 1HD ARG 11 -4.983 13.246 3.434 101 HE ARG 11 HE ARG 11 -6.756 13.654 5.009 102 1HH1 ARG 11 1HH1 ARG 11 -4.604 13.581 7.318 103 2HH1 ARG 11 2HH1 ARG 11 -4.854 15.161 7.981 104 1HH2 ARG 11 1HH2 ARG 11 -6.705 16.291 5.275 105 2HH2 ARG 11 2HH2 ARG 11 -6.044 16.696 6.824 106 HA PRO 12 HA PRO 12 0.970 8.895 3.928 107 1HB PRO 12 2HB PRO 12 1.290 7.821 6.421 108 2HB PRO 12 1HB PRO 12 2.057 9.341 5.920 109 1HG PRO 12 2HG PRO 12 -0.338 8.899 7.611 110 2HG PRO 12 1HG PRO 12 0.907 10.151 7.713 111 1HD PRO 12 2HD PRO 12 -1.607 10.519 6.644 112 2HD PRO 12 1HD PRO 12 -0.192 11.529 6.280 113 HA PRO 13 HA PRO 13 -2.110 5.636 3.733 114 1HB PRO 13 2HB PRO 13 -0.782 3.979 2.020 115 2HB PRO 13 1HB PRO 13 -1.619 5.451 1.487 116 1HG PRO 13 2HG PRO 13 1.266 4.933 1.798 117 2HG PRO 13 1HG PRO 13 0.426 6.051 0.718 118 1HD PRO 13 2HD PRO 13 1.745 6.704 3.114 119 2HD PRO 13 1HD PRO 13 0.672 7.760 2.174 120 H SER 14 H SER 14 -1.749 2.994 3.729 121 HA SER 14 HA SER 14 0.466 2.124 5.453 122 1HB SER 14 2HB SER 14 -0.899 1.685 7.389 123 2HB SER 14 1HB SER 14 -1.226 3.346 6.903 124 HG SER 14 HG SER 14 -3.138 2.718 6.039 125 H ALA 15 H ALA 15 0.067 1.028 3.044 126 HA ALA 15 HA ALA 15 -0.238 -1.025 1.969 127 1HB ALA 15 1HB ALA 15 0.003 -1.590 4.741 128 2HB ALA 15 2HB ALA 15 0.250 -2.706 3.399 129 3HB ALA 15 3HB ALA 15 -1.336 -2.576 4.152 130 H PHE 16 H PHE 16 -2.861 -1.352 4.397 131 HA PHE 16 HA PHE 16 -4.895 -2.219 2.718 132 1HB PHE 16 2HB PHE 16 -4.753 -1.819 5.269 133 2HB PHE 16 1HB PHE 16 -5.325 -0.190 4.909 134 HD1 PHE 16 1HD PHE 16 -6.329 -3.508 5.626 135 HD2 PHE 16 2HD PHE 16 -7.432 -0.063 3.310 136 HE1 PHE 16 1HE PHE 16 -8.656 -4.353 5.477 137 HE2 PHE 16 2HE PHE 16 -9.758 -0.908 3.161 138 HZ PHE 16 HZ PHE 16 -10.371 -3.053 4.244 139 H PHE 17 H PHE 17 -4.225 1.206 3.532 140 HA PHE 17 HA PHE 17 -6.247 2.401 1.930 141 1HB PHE 17 2HB PHE 17 -4.510 3.314 3.692 142 2HB PHE 17 1HB PHE 17 -3.513 3.612 2.268 143 HD1 PHE 17 1HD PHE 17 -4.474 5.007 0.369 144 HD2 PHE 17 2HD PHE 17 -6.327 4.740 4.235 145 HE1 PHE 17 1HE PHE 17 -5.774 7.064 -0.113 146 HE2 PHE 17 2HE PHE 17 -7.627 6.796 3.754 147 HZ PHE 17 HZ PHE 17 -7.351 7.958 1.581 148 H LEU 18 H LEU 18 -2.975 1.297 1.089 149 HA LEU 18 HA LEU 18 -2.928 2.406 -1.578 150 1HB LEU 18 2HB LEU 18 -1.452 0.000 -0.454 151 2HB LEU 18 1HB LEU 18 -0.952 0.996 -1.815 152 HG LEU 18 HG LEU 18 -1.130 1.867 1.090 153 1HD1 LEU 18 1HD1 LEU 18 0.856 0.624 0.798 154 2HD1 LEU 18 2HD1 LEU 18 1.363 2.300 0.589 155 3HD1 LEU 18 3HD1 LEU 18 1.125 1.269 -0.822 156 1HD2 LEU 18 1HD2 LEU 18 -0.748 3.388 -1.480 157 2HD2 LEU 18 2HD2 LEU 18 0.082 3.935 -0.024 158 3HD2 LEU 18 3HD2 LEU 18 -1.678 3.839 -0.052 159 H PHE 19 H PHE 19 -3.930 -0.725 -0.224 160 HA PHE 19 HA PHE 19 -4.362 -1.996 -2.808 161 1HB PHE 19 2HB PHE 19 -3.823 -3.128 -0.633 162 2HB PHE 19 1HB PHE 19 -5.423 -2.676 -0.046 163 HD1 PHE 19 1HD PHE 19 -7.460 -3.644 -1.056 164 HD2 PHE 19 2HD PHE 19 -3.533 -4.875 -2.285 165 HE1 PHE 19 1HE PHE 19 -8.432 -5.640 -2.162 166 HE2 PHE 19 2HE PHE 19 -4.505 -6.870 -3.392 167 HZ PHE 19 HZ PHE 19 -6.954 -7.253 -3.329 168 H CYS 20 H CYS 20 -6.613 -0.850 -0.258 169 HA CYS 20 HA CYS 20 -9.035 -1.263 -1.678 170 1HB CYS 20 2HB CYS 20 -8.735 -0.734 0.751 171 2HB CYS 20 1HB CYS 20 -8.339 0.926 0.308 172 HG CYS 20 HG CYS 20 -11.154 -0.334 0.208 173 H SER 21 H SER 21 -7.126 1.762 -1.395 174 HA SER 21 HA SER 21 -8.711 3.388 -3.093 175 1HB SER 21 2HB SER 21 -6.750 4.801 -3.131 176 2HB SER 21 1HB SER 21 -6.811 4.025 -1.551 177 HG SER 21 HG SER 21 -5.133 2.798 -2.075 178 H GLU 22 H GLU 22 -6.464 0.824 -3.917 179 HA GLU 22 HA GLU 22 -6.427 1.674 -6.772 180 1HB GLU 22 2HB GLU 22 -4.831 -0.144 -5.007 181 2HB GLU 22 1HB GLU 22 -4.723 -0.306 -6.757 182 1HG GLU 22 2HG GLU 22 -4.269 2.282 -5.243 183 2HG GLU 22 1HG GLU 22 -2.981 1.221 -5.814 184 H TYR 23 H TYR 23 -7.717 -0.823 -4.655 185 HA TYR 23 HA TYR 23 -8.454 -2.559 -6.939 186 1HB TYR 23 2HB TYR 23 -8.402 -2.706 -3.952 187 2HB TYR 23 1HB TYR 23 -9.458 -3.814 -4.826 188 HD1 TYR 23 1HD TYR 23 -5.958 -2.464 -5.055 189 HD2 TYR 23 2HD TYR 23 -8.560 -5.853 -5.493 190 HE1 TYR 23 1HE TYR 23 -4.009 -3.888 -5.620 191 HE2 TYR 23 2HE TYR 23 -6.610 -7.278 -6.057 192 HH TYR 23 HH TYR 23 -3.504 -6.469 -5.434 193 H ARG 24 H ARG 24 -9.788 0.220 -5.989 194 HA ARG 24 HA ARG 24 -12.562 -0.638 -5.600 195 1HB ARG 24 2HB ARG 24 -11.017 1.921 -5.654 196 2HB ARG 24 1HB ARG 24 -12.768 1.967 -5.856 197 1HG ARG 24 2HG ARG 24 -13.146 0.908 -3.752 198 2HG ARG 24 1HG ARG 24 -11.446 0.472 -3.590 199 1HD ARG 24 2HD ARG 24 -11.233 2.385 -2.369 200 2HD ARG 24 1HD ARG 24 -11.386 3.251 -3.911 201 HE ARG 24 HE ARG 24 -13.962 2.951 -3.431 202 1HH1 ARG 24 1HH1 ARG 24 -12.974 1.980 -0.616 203 2HH1 ARG 24 2HH1 ARG 24 -13.321 3.398 0.315 204 1HH2 ARG 24 1HH2 ARG 24 -13.757 5.434 -2.458 205 2HH2 ARG 24 2HH2 ARG 24 -13.764 5.354 -0.728 206 HA PRO 25 HA PRO 25 -12.968 1.438 -9.943 207 1HB PRO 25 2HB PRO 25 -10.749 1.419 -11.549 208 2HB PRO 25 1HB PRO 25 -11.215 2.796 -10.530 209 1HG PRO 25 2HG PRO 25 -9.179 0.684 -10.041 210 2HG PRO 25 1HG PRO 25 -9.111 2.420 -9.700 211 1HD PRO 25 2HD PRO 25 -9.590 0.576 -7.809 212 2HD PRO 25 1HD PRO 25 -10.268 2.213 -7.721 213 H LYS 26 H LYS 26 -11.133 -1.372 -9.127 214 HA LYS 26 HA LYS 26 -11.528 -2.868 -11.597 215 1HB LYS 26 2HB LYS 26 -9.810 -3.252 -9.748 216 2HB LYS 26 1HB LYS 26 -11.143 -3.846 -8.752 217 1HG LYS 26 2HG LYS 26 -10.704 -4.986 -11.501 218 2HG LYS 26 1HG LYS 26 -9.733 -5.562 -10.147 219 1HD LYS 26 2HD LYS 26 -12.036 -5.796 -8.926 220 2HD LYS 26 1HD LYS 26 -12.704 -5.767 -10.558 221 1HE LYS 26 2HE LYS 26 -10.424 -7.623 -9.850 222 2HE LYS 26 1HE LYS 26 -12.115 -8.092 -9.587 223 1HZ LYS 26 1HZ LYS 26 -10.997 -7.077 -12.147 224 2HZ LYS 26 2HZ LYS 26 -12.605 -7.558 -11.881 225 3HZ LYS 26 3HZ LYS 26 -11.351 -8.703 -11.818 226 H ILE 27 H ILE 27 -13.024 -2.900 -8.362 227 HA ILE 27 HA ILE 27 -15.115 -4.738 -8.732 228 HB ILE 27 HB ILE 27 -15.225 -2.083 -7.248 229 1HG1 ILE 27 2HG1 ILE 27 -13.204 -3.221 -6.520 230 2HG1 ILE 27 1HG1 ILE 27 -14.420 -3.396 -5.269 231 1HG2 ILE 27 1HG2 ILE 27 -17.378 -3.132 -7.299 232 2HG2 ILE 27 2HG2 ILE 27 -16.699 -3.419 -5.697 233 3HG2 ILE 27 3HG2 ILE 27 -16.688 -4.705 -6.904 234 1HD1 ILE 27 1HD1 ILE 27 -13.535 -5.461 -7.281 235 2HD1 ILE 27 2HD1 ILE 27 -15.007 -5.632 -6.323 236 3HD1 ILE 27 3HD1 ILE 27 -13.438 -5.544 -5.522 237 H LYS 28 H LYS 28 -14.899 -1.357 -9.687 238 HA LYS 28 HA LYS 28 -17.686 -1.034 -10.372 239 1HB LYS 28 2HB LYS 28 -15.555 0.623 -11.687 240 2HB LYS 28 1HB LYS 28 -17.093 1.126 -11.006 241 1HG LYS 28 2HG LYS 28 -14.517 0.531 -9.578 242 2HG LYS 28 1HG LYS 28 -15.408 2.035 -9.593 243 1HD LYS 28 2HD LYS 28 -16.234 -0.540 -8.207 244 2HD LYS 28 1HD LYS 28 -15.686 0.944 -7.437 245 1HE LYS 28 2HE LYS 28 -18.127 0.868 -9.242 246 2HE LYS 28 1HE LYS 28 -18.221 0.642 -7.484 247 1HZ LYS 28 1HZ LYS 28 -16.906 2.723 -7.263 248 2HZ LYS 28 2HZ LYS 28 -18.451 2.962 -7.927 249 3HZ LYS 28 3HZ LYS 28 -17.080 2.971 -8.931 250 H SER 29 H SER 29 -14.803 -1.918 -12.246 251 HA SER 29 HA SER 29 -15.895 -1.769 -14.865 252 1HB SER 29 2HB SER 29 -13.504 -2.118 -14.200 253 2HB SER 29 1HB SER 29 -13.909 -3.768 -13.737 254 HG SER 29 HG SER 29 -14.135 -4.304 -15.795 255 H GLU 30 H GLU 30 -16.388 -4.147 -12.332 256 HA GLU 30 HA GLU 30 -17.961 -5.841 -14.248 257 1HB GLU 30 2HB GLU 30 -15.987 -6.347 -12.132 258 2HB GLU 30 1HB GLU 30 -17.437 -7.334 -11.960 259 1HG GLU 30 2HG GLU 30 -16.073 -7.067 -14.633 260 2HG GLU 30 1HG GLU 30 -15.507 -8.243 -13.445 261 H HIS 31 H HIS 31 -18.050 -4.022 -11.258 262 HA HIS 31 HA HIS 31 -20.893 -4.893 -10.845 263 1HB HIS 31 2HB HIS 31 -18.957 -3.829 -8.762 264 2HB HIS 31 1HB HIS 31 -20.520 -4.581 -8.474 265 HD1 HIS 31 1HD HIS 31 -16.953 -5.363 -9.200 266 HD2 HIS 31 2HD HIS 31 -20.544 -7.448 -8.835 267 HE1 HIS 31 1HE HIS 31 -16.341 -7.812 -9.035 268 HA PRO 32 HA PRO 32 -21.050 -0.433 -11.814 269 1HB PRO 32 2HB PRO 32 -23.555 -0.477 -12.912 270 2HB PRO 32 1HB PRO 32 -22.091 -0.878 -13.823 271 1HG PRO 32 2HG PRO 32 -24.149 -2.671 -12.676 272 2HG PRO 32 1HG PRO 32 -23.191 -2.845 -14.154 273 1HD PRO 32 2HD PRO 32 -22.693 -4.170 -11.789 274 2HD PRO 32 1HD PRO 32 -21.501 -3.902 -13.077 275 H GLY 33 H GLY 33 -23.471 -2.501 -10.287 276 1HA GLY 33 2HA GLY 33 -24.829 -0.279 -8.962 277 2HA GLY 33 1HA GLY 33 -25.138 -1.992 -8.699 278 H LEU 34 H LEU 34 -21.984 -2.095 -8.335 279 HA LEU 34 HA LEU 34 -21.956 -2.269 -5.493 280 1HB LEU 34 2HB LEU 34 -20.182 -2.580 -7.744 281 2HB LEU 34 1HB LEU 34 -19.338 -1.694 -6.481 282 HG LEU 34 HG LEU 34 -19.068 -4.174 -6.292 283 1HD1 LEU 34 1HD1 LEU 34 -20.213 -4.111 -3.820 284 2HD1 LEU 34 2HD1 LEU 34 -20.148 -2.388 -4.197 285 3HD1 LEU 34 3HD1 LEU 34 -18.671 -3.353 -4.214 286 1HD2 LEU 34 1HD2 LEU 34 -21.784 -4.536 -5.181 287 2HD2 LEU 34 2HD2 LEU 34 -20.833 -5.615 -6.202 288 3HD2 LEU 34 3HD2 LEU 34 -21.742 -4.289 -6.927 289 H SER 35 H SER 35 -22.971 -0.198 -4.840 290 HA SER 35 HA SER 35 -21.649 2.351 -5.333 291 1HB SER 35 2HB SER 35 -23.303 3.119 -3.634 292 2HB SER 35 1HB SER 35 -24.055 2.113 -4.869 293 HG SER 35 HG SER 35 -24.385 0.589 -3.431 294 H ILE 36 H ILE 36 -20.882 3.687 -3.348 295 HA ILE 36 HA ILE 36 -18.593 2.565 -2.149 296 HB ILE 36 HB ILE 36 -20.435 4.786 -1.199 297 1HG1 ILE 36 2HG1 ILE 36 -19.540 5.123 -3.476 298 2HG1 ILE 36 1HG1 ILE 36 -18.806 6.257 -2.347 299 1HG2 ILE 36 1HG2 ILE 36 -18.321 5.625 -0.070 300 2HG2 ILE 36 2HG2 ILE 36 -17.607 4.045 -0.396 301 3HG2 ILE 36 3HG2 ILE 36 -19.020 4.174 0.651 302 1HD1 ILE 36 1HD1 ILE 36 -17.026 5.377 -3.704 303 2HD1 ILE 36 2HD1 ILE 36 -17.579 3.721 -3.460 304 3HD1 ILE 36 3HD1 ILE 36 -16.877 4.623 -2.117 305 H GLY 37 H GLY 37 -21.951 2.369 -1.132 306 1HA GLY 37 2HA GLY 37 -21.556 1.578 1.583 307 2HA GLY 37 1HA GLY 37 -22.970 1.169 0.609 308 H ASP 38 H ASP 38 -22.578 -0.630 -1.034 309 HA ASP 38 HA ASP 38 -21.600 -2.985 0.308 310 1HB ASP 38 2HB ASP 38 -23.393 -2.640 -1.547 311 2HB ASP 38 1HB ASP 38 -22.030 -2.703 -2.666 312 H THR 39 H THR 39 -20.074 -0.674 -1.858 313 HA THR 39 HA THR 39 -17.874 -2.374 -2.692 314 HB THR 39 HB THR 39 -18.238 0.638 -2.552 315 HG1 THR 39 1HG THR 39 -18.908 0.414 -4.628 316 1HG2 THR 39 1HG2 THR 39 -16.432 0.649 -4.307 317 2HG2 THR 39 2HG2 THR 39 -16.154 -1.057 -3.957 318 3HG2 THR 39 3HG2 THR 39 -15.869 0.157 -2.710 319 H ALA 40 H ALA 40 -18.200 0.145 -0.187 320 HA ALA 40 HA ALA 40 -15.589 0.141 0.874 321 1HB ALA 40 1HB ALA 40 -16.772 0.844 2.985 322 2HB ALA 40 2HB ALA 40 -18.298 0.391 2.224 323 3HB ALA 40 3HB ALA 40 -17.331 1.703 1.550 324 H LYS 41 H LYS 41 -18.304 -2.033 1.629 325 HA LYS 41 HA LYS 41 -16.678 -3.611 3.497 326 1HB LYS 41 2HB LYS 41 -18.772 -4.847 3.812 327 2HB LYS 41 1HB LYS 41 -19.073 -3.117 3.880 328 1HG LYS 41 2HG LYS 41 -19.629 -3.322 1.363 329 2HG LYS 41 1HG LYS 41 -19.715 -5.054 1.660 330 1HD LYS 41 2HD LYS 41 -21.942 -4.096 1.899 331 2HD LYS 41 1HD LYS 41 -21.365 -4.622 3.479 332 1HE LYS 41 2HE LYS 41 -20.477 -1.928 3.148 333 2HE LYS 41 1HE LYS 41 -22.188 -1.980 2.679 334 1HZ LYS 41 1HZ LYS 41 -21.030 -3.130 5.163 335 2HZ LYS 41 2HZ LYS 41 -22.660 -3.239 4.699 336 3HZ LYS 41 3HZ LYS 41 -21.978 -1.727 5.071 337 H LYS 42 H LYS 42 -17.131 -3.620 0.085 338 HA LYS 42 HA LYS 42 -16.970 -6.488 -0.375 339 1HB LYS 42 2HB LYS 42 -17.639 -4.323 -1.847 340 2HB LYS 42 1HB LYS 42 -15.969 -4.489 -2.355 341 1HG LYS 42 2HG LYS 42 -17.289 -5.759 -3.897 342 2HG LYS 42 1HG LYS 42 -16.488 -6.928 -2.845 343 1HD LYS 42 2HD LYS 42 -19.101 -5.985 -1.847 344 2HD LYS 42 1HD LYS 42 -19.183 -6.894 -3.356 345 1HE LYS 42 2HE LYS 42 -17.344 -8.164 -1.490 346 2HE LYS 42 1HE LYS 42 -18.957 -7.987 -0.784 347 1HZ LYS 42 1HZ LYS 42 -18.389 -9.066 -3.493 348 2HZ LYS 42 2HZ LYS 42 -19.924 -8.914 -2.783 349 3HZ LYS 42 3HZ LYS 42 -18.792 -10.005 -2.139 350 H LEU 43 H LEU 43 -14.637 -3.851 -0.933 351 HA LEU 43 HA LEU 43 -12.330 -5.377 -1.446 352 1HB LEU 43 2HB LEU 43 -12.851 -2.686 -0.174 353 2HB LEU 43 1HB LEU 43 -11.205 -3.255 -0.474 354 HG LEU 43 HG LEU 43 -13.216 -3.398 -2.694 355 1HD1 LEU 43 1HD1 LEU 43 -12.892 -1.130 -3.319 356 2HD1 LEU 43 2HD1 LEU 43 -11.578 -0.916 -2.162 357 3HD1 LEU 43 3HD1 LEU 43 -13.239 -1.072 -1.590 358 1HD2 LEU 43 1HD2 LEU 43 -11.323 -3.463 -4.052 359 2HD2 LEU 43 2HD2 LEU 43 -10.714 -4.252 -2.597 360 3HD2 LEU 43 3HD2 LEU 43 -10.342 -2.555 -2.901 361 H GLY 44 H GLY 44 -13.874 -4.675 1.645 362 1HA GLY 44 2HA GLY 44 -11.707 -5.266 3.394 363 2HA GLY 44 1HA GLY 44 -13.413 -5.447 3.810 364 H GLU 45 H GLU 45 -14.208 -7.397 1.998 365 HA GLU 45 HA GLU 45 -13.365 -9.826 3.257 366 1HB GLU 45 2HB GLU 45 -15.472 -9.156 1.841 367 2HB GLU 45 1HB GLU 45 -14.493 -9.673 0.467 368 1HG GLU 45 2HG GLU 45 -14.146 -11.872 1.552 369 2HG GLU 45 1HG GLU 45 -15.158 -11.356 2.902 370 H MET 46 H MET 46 -12.555 -8.475 0.039 371 HA MET 46 HA MET 46 -10.770 -10.529 -0.805 372 1HB MET 46 2HB MET 46 -10.843 -7.549 -1.367 373 2HB MET 46 1HB MET 46 -9.931 -8.721 -2.316 374 1HG MET 46 2HG MET 46 -12.883 -9.093 -1.840 375 2HG MET 46 1HG MET 46 -12.303 -8.061 -3.148 376 1HE MET 46 1HE MET 46 -13.464 -11.349 -4.896 377 2HE MET 46 2HE MET 46 -13.740 -9.624 -4.659 378 3HE MET 46 3HE MET 46 -14.116 -10.756 -3.362 379 H TRP 47 H TRP 47 -10.324 -7.896 1.473 380 HA TRP 47 HA TRP 47 -7.394 -7.993 1.423 381 1HB TRP 47 2HB TRP 47 -8.801 -5.987 1.993 382 2HB TRP 47 1HB TRP 47 -9.322 -6.823 3.456 383 HD1 TRP 47 HD TRP 47 -7.874 -6.464 5.515 384 HE1 TRP 47 1HE TRP 47 -5.483 -5.607 5.962 385 HE3 TRP 47 3HE TRP 47 -6.225 -5.905 0.714 386 HZ2 TRP 47 2HZ TRP 47 -3.175 -4.793 4.478 387 HZ3 TRP 47 3HZ TRP 47 -3.931 -5.089 0.260 388 HH2 TRP 47 HH TRP 47 -2.405 -4.532 2.134 389 H SER 48 H SER 48 -9.952 -9.019 3.702 390 HA SER 48 HA SER 48 -8.176 -10.328 5.559 391 1HB SER 48 2HB SER 48 -10.539 -9.514 5.944 392 2HB SER 48 1HB SER 48 -11.106 -10.872 4.978 393 HG SER 48 HG SER 48 -9.722 -10.890 7.447 394 H GLU 49 H GLU 49 -9.702 -11.327 2.555 395 HA GLU 49 HA GLU 49 -9.426 -14.183 2.890 396 1HB GLU 49 2HB GLU 49 -9.807 -12.232 0.631 397 2HB GLU 49 1HB GLU 49 -9.485 -13.927 0.263 398 1HG GLU 49 2HG GLU 49 -11.632 -13.139 2.231 399 2HG GLU 49 1HG GLU 49 -11.960 -13.207 0.499 400 H GLN 50 H GLN 50 -7.392 -11.694 1.333 401 HA GLN 50 HA GLN 50 -5.319 -13.359 0.333 402 1HB GLN 50 2HB GLN 50 -5.390 -10.532 1.422 403 2HB GLN 50 1HB GLN 50 -3.967 -11.210 0.629 404 1HG GLN 50 2HG GLN 50 -6.696 -11.232 -0.671 405 2HG GLN 50 1HG GLN 50 -5.571 -9.888 -0.869 406 1HE2 GLN 50 1HE2 GLN 50 -6.047 -13.344 -1.571 407 2HE2 GLN 50 2HE2 GLN 50 -4.816 -13.449 -2.736 408 H SER 51 H SER 51 -3.262 -13.925 1.241 409 HA SER 51 HA SER 51 -3.309 -14.296 4.195 410 1HB SER 51 2HB SER 51 -2.974 -16.174 2.516 411 2HB SER 51 1HB SER 51 -1.439 -15.425 2.089 412 HG SER 51 HG SER 51 -2.225 -16.742 4.422 413 H ALA 52 H ALA 52 -0.384 -14.587 4.313 414 HA ALA 52 HA ALA 52 0.322 -11.730 4.568 415 1HB ALA 52 1HB ALA 52 1.736 -14.332 5.240 416 2HB ALA 52 2HB ALA 52 0.814 -13.328 6.359 417 3HB ALA 52 3HB ALA 52 2.329 -12.730 5.682 418 H LYS 53 H LYS 53 0.013 -12.324 1.864 419 HA LYS 53 HA LYS 53 2.848 -12.411 0.882 420 1HB LYS 53 2HB LYS 53 0.297 -13.644 -0.187 421 2HB LYS 53 1HB LYS 53 1.754 -13.490 -1.168 422 1HG LYS 53 2HG LYS 53 3.025 -14.807 0.458 423 2HG LYS 53 1HG LYS 53 1.611 -14.913 1.506 424 1HD LYS 53 2HD LYS 53 1.606 -16.960 0.313 425 2HD LYS 53 1HD LYS 53 0.414 -15.965 -0.523 426 1HE LYS 53 2HE LYS 53 1.972 -15.434 -2.288 427 2HE LYS 53 1HE LYS 53 3.318 -16.162 -1.390 428 1HZ LYS 53 1HZ LYS 53 2.419 -17.724 -3.009 429 2HZ LYS 53 2HZ LYS 53 0.876 -17.588 -2.309 430 3HZ LYS 53 3HZ LYS 53 2.153 -18.282 -1.429 431 H ASP 54 H ASP 54 -0.482 -11.390 0.030 432 HA ASP 54 HA ASP 54 0.304 -9.522 -2.015 433 1HB ASP 54 2HB ASP 54 -1.963 -10.641 -1.501 434 2HB ASP 54 1HB ASP 54 -2.176 -9.374 -0.293 435 H LYS 55 H LYS 55 0.047 -9.251 1.488 436 HA LYS 55 HA LYS 55 0.111 -6.321 1.500 437 1HB LYS 55 2HB LYS 55 -0.997 -7.740 3.221 438 2HB LYS 55 1HB LYS 55 0.582 -8.367 3.692 439 1HG LYS 55 2HG LYS 55 1.298 -6.268 4.511 440 2HG LYS 55 1HG LYS 55 0.017 -5.404 3.661 441 1HD LYS 55 2HD LYS 55 -1.563 -5.905 5.248 442 2HD LYS 55 1HD LYS 55 -0.847 -7.474 5.615 443 1HE LYS 55 2HE LYS 55 1.106 -6.132 6.663 444 2HE LYS 55 1HE LYS 55 -0.011 -4.753 6.629 445 1HZ LYS 55 1HZ LYS 55 -0.142 -6.141 8.691 446 2HZ LYS 55 2HZ LYS 55 -0.731 -7.414 7.731 447 3HZ LYS 55 3HZ LYS 55 -1.613 -5.967 7.864 448 H GLN 56 H GLN 56 2.449 -8.958 1.973 449 HA GLN 56 HA GLN 56 4.674 -7.739 3.050 450 1HB GLN 56 2HB GLN 56 4.121 -9.866 1.081 451 2HB GLN 56 1HB GLN 56 5.771 -9.245 1.039 452 1HG GLN 56 2HG GLN 56 5.607 -9.491 3.661 453 2HG GLN 56 1HG GLN 56 4.327 -10.640 3.269 454 1HE2 GLN 56 1HE2 GLN 56 5.078 -12.201 1.320 455 2HE2 GLN 56 2HE2 GLN 56 6.635 -12.851 1.502 456 HA PRO 57 HA PRO 57 6.107 -5.819 -1.058 457 1HB PRO 57 2HB PRO 57 4.505 -5.916 -3.255 458 2HB PRO 57 1HB PRO 57 5.650 -7.208 -2.845 459 1HG PRO 57 2HG PRO 57 2.717 -7.094 -2.480 460 2HG PRO 57 1HG PRO 57 3.749 -8.472 -2.878 461 1HD PRO 57 2HD PRO 57 2.698 -7.946 -0.378 462 2HD PRO 57 1HD PRO 57 4.118 -8.965 -0.694 463 H TYR 58 H TYR 58 2.570 -5.622 -0.707 464 HA TYR 58 HA TYR 58 2.482 -2.796 -1.495 465 1HB TYR 58 2HB TYR 58 0.735 -5.038 -1.256 466 2HB TYR 58 1HB TYR 58 0.082 -3.767 -0.227 467 HD1 TYR 58 1HD TYR 58 -1.354 -2.225 -1.221 468 HD2 TYR 58 2HD TYR 58 1.661 -4.129 -3.617 469 HE1 TYR 58 1HE TYR 58 -2.203 -1.047 -3.231 470 HE2 TYR 58 2HE TYR 58 0.811 -2.949 -5.625 471 HH TYR 58 HH TYR 58 -1.900 -1.814 -6.078 472 H GLU 59 H GLU 59 3.482 -4.206 1.369 473 HA GLU 59 HA GLU 59 2.154 -2.202 3.125 474 1HB GLU 59 2HB GLU 59 3.056 -3.601 4.926 475 2HB GLU 59 1HB GLU 59 2.242 -4.612 3.740 476 1HG GLU 59 2HG GLU 59 4.138 -5.824 3.569 477 2HG GLU 59 1HG GLU 59 4.905 -4.417 2.835 478 H GLN 60 H GLN 60 5.237 -2.879 1.619 479 HA GLN 60 HA GLN 60 6.813 -1.150 3.362 480 1HB GLN 60 2HB GLN 60 8.549 -1.577 1.635 481 2HB GLN 60 1HB GLN 60 7.765 -3.067 2.154 482 1HG GLN 60 2HG GLN 60 6.519 -3.248 0.167 483 2HG GLN 60 1HG GLN 60 6.751 -1.550 -0.247 484 1HE2 GLN 60 1HE2 GLN 60 8.215 -4.747 -0.385 485 2HE2 GLN 60 2HE2 GLN 60 9.564 -4.294 -1.310 486 H LYS 61 H LYS 61 4.824 -0.712 0.529 487 HA LYS 61 HA LYS 61 5.955 1.675 -0.560 488 1HB LYS 61 2HB LYS 61 4.240 0.247 -1.634 489 2HB LYS 61 1HB LYS 61 3.074 0.720 -0.398 490 1HG LYS 61 2HG LYS 61 2.992 2.957 -1.167 491 2HG LYS 61 1HG LYS 61 4.477 2.780 -2.102 492 1HD LYS 61 2HD LYS 61 3.270 1.076 -3.528 493 2HD LYS 61 1HD LYS 61 1.784 1.525 -2.689 494 1HE LYS 61 2HE LYS 61 2.323 3.954 -3.369 495 2HE LYS 61 1HE LYS 61 3.497 3.245 -4.496 496 1HZ LYS 61 1HZ LYS 61 1.752 1.834 -5.385 497 2HZ LYS 61 2HZ LYS 61 1.312 3.470 -5.532 498 3HZ LYS 61 3HZ LYS 61 0.623 2.508 -4.312 499 H ALA 62 H ALA 62 3.491 1.194 1.982 500 HA ALA 62 HA ALA 62 3.091 4.037 2.450 501 1HB ALA 62 1HB ALA 62 2.012 3.001 4.581 502 2HB ALA 62 2HB ALA 62 2.379 1.450 3.829 503 3HB ALA 62 3HB ALA 62 1.309 2.594 3.017 504 H ALA 63 H ALA 63 5.613 1.874 3.310 505 HA ALA 63 HA ALA 63 6.307 3.209 5.842 506 1HB ALA 63 1HB ALA 63 8.091 1.554 5.856 507 2HB ALA 63 2HB ALA 63 7.830 1.206 4.147 508 3HB ALA 63 3HB ALA 63 6.606 0.759 5.334 509 H LYS 64 H LYS 64 6.561 4.172 2.667 510 HA LYS 64 HA LYS 64 9.279 5.371 2.969 511 1HB LYS 64 2HB LYS 64 7.396 4.741 0.689 512 2HB LYS 64 1HB LYS 64 8.776 5.812 0.466 513 1HG LYS 64 2HG LYS 64 8.958 2.992 1.559 514 2HG LYS 64 1HG LYS 64 9.281 3.430 -0.119 515 1HD LYS 64 2HD LYS 64 10.983 5.112 0.815 516 2HD LYS 64 1HD LYS 64 10.815 4.258 2.349 517 1HE LYS 64 2HE LYS 64 11.395 2.724 -0.185 518 2HE LYS 64 1HE LYS 64 12.709 3.475 0.744 519 1HZ LYS 64 1HZ LYS 64 11.929 2.364 2.724 520 2HZ LYS 64 2HZ LYS 64 12.223 1.209 1.514 521 3HZ LYS 64 3HZ LYS 64 10.630 1.677 1.878 522 H LEU 65 H LEU 65 5.863 6.068 2.528 523 HA LEU 65 HA LEU 65 6.246 8.958 2.174 524 1HB LEU 65 2HB LEU 65 3.985 6.991 2.365 525 2HB LEU 65 1HB LEU 65 3.637 8.711 2.549 526 HG LEU 65 HG LEU 65 5.093 8.958 0.379 527 1HD1 LEU 65 1HD1 LEU 65 4.358 6.031 0.442 528 2HD1 LEU 65 2HD1 LEU 65 5.924 6.762 0.088 529 3HD1 LEU 65 3HD1 LEU 65 4.611 6.878 -1.084 530 1HD2 LEU 65 1HD2 LEU 65 2.749 9.536 0.411 531 2HD2 LEU 65 2HD2 LEU 65 2.277 7.837 0.466 532 3HD2 LEU 65 3HD2 LEU 65 3.012 8.501 -0.993 533 H LYS 66 H LYS 66 6.568 6.995 4.852 534 HA LYS 66 HA LYS 66 5.164 8.753 6.773 535 1HB LYS 66 2HB LYS 66 5.215 6.229 6.884 536 2HB LYS 66 1HB LYS 66 6.947 6.334 7.202 537 1HG LYS 66 2HG LYS 66 6.535 7.639 9.225 538 2HG LYS 66 1HG LYS 66 4.803 7.657 8.890 539 1HD LYS 66 2HD LYS 66 4.664 5.252 9.156 540 2HD LYS 66 1HD LYS 66 6.417 5.126 9.305 541 1HE LYS 66 2HE LYS 66 6.098 6.800 11.313 542 2HE LYS 66 1HE LYS 66 4.429 6.194 11.292 543 1HZ LYS 66 1HZ LYS 66 5.274 3.936 11.334 544 2HZ LYS 66 2HZ LYS 66 5.858 4.798 12.676 545 3HZ LYS 66 3HZ LYS 66 6.873 4.502 11.346 546 H GLU 67 H GLU 67 8.397 8.065 5.558 547 HA GLU 67 HA GLU 67 9.729 9.641 7.665 548 1HB GLU 67 2HB GLU 67 10.439 7.903 5.348 549 2HB GLU 67 1HB GLU 67 11.634 9.106 5.837 550 1HG GLU 67 2HG GLU 67 11.788 8.215 8.036 551 2HG GLU 67 1HG GLU 67 10.322 7.255 7.832 552 H LYS 68 H LYS 68 8.170 10.297 4.680 553 HA LYS 68 HA LYS 68 9.797 12.753 4.193 554 1HB LYS 68 2HB LYS 68 8.043 10.915 2.619 555 2HB LYS 68 1HB LYS 68 8.094 12.605 2.116 556 1HG LYS 68 2HG LYS 68 10.612 11.015 2.627 557 2HG LYS 68 1HG LYS 68 9.828 11.041 1.048 558 1HD LYS 68 2HD LYS 68 10.077 13.438 0.885 559 2HD LYS 68 1HD LYS 68 10.652 13.539 2.551 560 1HE LYS 68 2HE LYS 68 12.692 12.367 2.002 561 2HE LYS 68 1HE LYS 68 12.088 11.974 0.379 562 1HZ LYS 68 1HZ LYS 68 13.503 13.942 0.323 563 2HZ LYS 68 2HZ LYS 68 12.501 14.715 1.457 564 3HZ LYS 68 3HZ LYS 68 11.906 14.339 -0.089 565 H TYR 69 H TYR 69 6.543 11.584 4.934 566 HA TYR 69 HA TYR 69 5.236 14.179 4.772 567 1HB TYR 69 2HB TYR 69 4.078 12.017 4.495 568 2HB TYR 69 1HB TYR 69 4.508 11.562 6.142 569 HD1 TYR 69 1HD TYR 69 3.632 12.974 8.072 570 HD2 TYR 69 2HD TYR 69 2.159 13.349 4.054 571 HE1 TYR 69 1HE TYR 69 1.603 14.116 8.923 572 HE2 TYR 69 2HE TYR 69 0.131 14.494 4.906 573 HH TYR 69 HH TYR 69 -1.095 14.362 7.509 574 H GLU 70 H GLU 70 6.169 12.089 7.526 575 HA GLU 70 HA GLU 70 5.595 14.056 9.558 576 1HB GLU 70 2HB GLU 70 7.209 11.506 9.404 577 2HB GLU 70 1HB GLU 70 7.071 12.423 10.904 578 1HG GLU 70 2HG GLU 70 4.598 12.276 10.746 579 2HG GLU 70 1HG GLU 70 4.765 11.305 9.282 580 H LYS 71 H LYS 71 8.227 13.811 7.344 581 HA LYS 71 HA LYS 71 10.032 15.372 9.144 582 1HB LYS 71 2HB LYS 71 10.580 13.162 7.834 583 2HB LYS 71 1HB LYS 71 10.748 14.242 6.449 584 1HG LYS 71 2HG LYS 71 12.108 15.117 8.939 585 2HG LYS 71 1HG LYS 71 12.785 13.690 8.155 586 1HD LYS 71 2HD LYS 71 12.125 16.144 6.540 587 2HD LYS 71 1HD LYS 71 13.651 16.033 7.417 588 1HE LYS 71 2HE LYS 71 13.671 13.608 6.221 589 2HE LYS 71 1HE LYS 71 12.745 14.525 5.018 590 1HZ LYS 71 1HZ LYS 71 15.202 14.694 4.743 591 2HZ LYS 71 2HZ LYS 71 15.271 15.492 6.242 592 3HZ LYS 71 3HZ LYS 71 14.426 16.189 4.942 593 H ASP 72 H ASP 72 8.329 15.510 6.036 594 HA ASP 72 HA ASP 72 9.557 18.114 5.347 595 1HB ASP 72 2HB ASP 72 9.090 16.217 3.738 596 2HB ASP 72 1HB ASP 72 7.369 16.539 3.963 597 H ILE 73 H ILE 73 6.405 16.829 6.393 598 HA ILE 73 HA ILE 73 4.762 19.072 5.957 599 HB ILE 73 HB ILE 73 4.163 16.747 6.766 600 1HG1 ILE 73 2HG1 ILE 73 2.382 17.708 8.432 601 2HG1 ILE 73 1HG1 ILE 73 3.064 19.270 7.972 602 1HG2 ILE 73 1HG2 ILE 73 4.782 17.871 9.511 603 2HG2 ILE 73 2HG2 ILE 73 5.858 16.767 8.653 604 3HG2 ILE 73 3HG2 ILE 73 4.240 16.239 9.116 605 1HD1 ILE 73 1HD1 ILE 73 1.105 18.532 6.552 606 2HD1 ILE 73 2HD1 ILE 73 2.114 17.210 5.965 607 3HD1 ILE 73 3HD1 ILE 73 2.575 18.880 5.642 608 H ALA 74 H ALA 74 6.983 18.467 8.677 609 HA ALA 74 HA ALA 74 6.259 20.609 10.384 610 1HB ALA 74 1HB ALA 74 8.861 20.424 10.867 611 2HB ALA 74 2HB ALA 74 8.744 19.039 9.780 612 3HB ALA 74 3HB ALA 74 7.786 19.082 11.260 613 H ALA 75 H ALA 75 8.813 20.589 7.864 614 HA ALA 75 HA ALA 75 9.457 23.378 8.057 615 1HB ALA 75 1HB ALA 75 9.660 21.409 5.750 616 2HB ALA 75 2HB ALA 75 10.877 21.657 7.004 617 3HB ALA 75 3HB ALA 75 10.525 22.944 5.851 618 H TYR 76 H TYR 76 7.012 21.596 6.240 619 HA TYR 76 HA TYR 76 6.208 23.646 4.413 620 1HB TYR 76 2HB TYR 76 5.604 21.222 4.341 621 2HB TYR 76 1HB TYR 76 4.566 21.465 5.748 622 HD1 TYR 76 1HD TYR 76 2.363 22.294 5.502 623 HD2 TYR 76 2HD TYR 76 5.137 22.598 2.236 624 HE1 TYR 76 1HE TYR 76 0.529 23.054 4.016 625 HE2 TYR 76 2HE TYR 76 3.302 23.359 0.749 626 HH TYR 76 HH TYR 76 0.440 24.508 1.805 627 H ARG 77 H ARG 77 5.106 22.868 7.716 628 HA ARG 77 HA ARG 77 3.175 25.080 7.752 629 1HB ARG 77 2HB ARG 77 4.208 23.065 9.765 630 2HB ARG 77 1HB ARG 77 2.983 24.269 10.166 631 1HG ARG 77 2HG ARG 77 1.412 23.350 8.672 632 2HG ARG 77 1HG ARG 77 2.648 22.469 7.773 633 1HD ARG 77 2HD ARG 77 1.757 20.734 9.053 634 2HD ARG 77 1HD ARG 77 3.023 21.305 10.157 635 HE ARG 77 HE ARG 77 1.123 22.878 11.037 636 1HH1 ARG 77 1HH2 ARG 77 -0.822 21.354 9.176 637 2HH1 ARG 77 2HH2 ARG 77 -1.585 20.301 10.320 638 1HH2 ARG 77 1HH1 ARG 77 0.805 20.810 12.781 639 2HH2 ARG 77 2HH1 ARG 77 -0.663 19.992 12.362 640 H ALA 78 H ALA 78 5.585 24.432 10.301 641 HA ALA 78 HA ALA 78 7.093 26.882 9.842 642 1HB ALA 78 1HB ALA 78 4.879 26.732 11.901 643 2HB ALA 78 2HB ALA 78 5.088 27.931 10.625 644 3HB ALA 78 3HB ALA 78 6.181 27.916 12.009 645 H LYS 79 H LYS 79 7.848 24.180 10.280 646 HA LYS 79 HA LYS 79 9.145 24.354 12.980 647 1HB LYS 79 2HB LYS 79 7.517 22.289 11.645 648 2HB LYS 79 1HB LYS 79 8.978 21.677 12.419 649 1HG LYS 79 2HG LYS 79 8.335 22.660 14.540 650 2HG LYS 79 1HG LYS 79 6.957 23.470 13.793 651 1HD LYS 79 2HD LYS 79 7.261 20.468 13.691 652 2HD LYS 79 1HD LYS 79 6.486 21.269 15.059 653 1HE LYS 79 2HE LYS 79 4.984 22.445 13.343 654 2HE LYS 79 1HE LYS 79 5.606 21.276 12.161 655 1HZ LYS 79 1HZ LYS 79 4.335 20.617 14.766 656 2HZ LYS 79 2HZ LYS 79 4.993 19.486 13.684 657 3HZ LYS 79 3HZ LYS 79 3.633 20.401 13.238 Start of MODEL 6 1 1H MET 1 1HT MET 1 -7.265 11.266 -5.039 2 2H MET 1 2HT MET 1 -6.964 11.423 -3.374 3 3H MET 1 3HT MET 1 -5.755 11.819 -4.500 4 HA MET 1 HA MET 1 -7.135 13.657 -5.336 5 1HB MET 1 2HB MET 1 -9.196 12.298 -4.585 6 2HB MET 1 1HB MET 1 -8.909 12.978 -2.982 7 1HG MET 1 2HG MET 1 -9.008 15.263 -3.964 8 2HG MET 1 1HG MET 1 -9.384 14.550 -5.532 9 1HE MET 1 1HE MET 1 -11.745 15.875 -5.769 10 2HE MET 1 2HE MET 1 -10.996 16.693 -4.401 11 3HE MET 1 3HE MET 1 -12.688 16.209 -4.310 12 H LYS 2 H LYS 2 -5.769 15.264 -4.678 13 HA LYS 2 HA LYS 2 -4.931 15.418 -1.825 14 1HB LYS 2 2HB LYS 2 -3.935 16.352 -4.493 15 2HB LYS 2 1HB LYS 2 -3.418 17.232 -3.054 16 1HG LYS 2 2HG LYS 2 -1.770 15.613 -3.126 17 2HG LYS 2 1HG LYS 2 -2.969 14.771 -2.144 18 1HD LYS 2 2HD LYS 2 -2.376 13.197 -3.812 19 2HD LYS 2 1HD LYS 2 -3.900 13.877 -4.381 20 1HE LYS 2 2HE LYS 2 -2.038 15.621 -5.456 21 2HE LYS 2 1HE LYS 2 -1.223 14.047 -5.567 22 1HZ LYS 2 1HZ LYS 2 -4.008 14.613 -6.440 23 2HZ LYS 2 2HZ LYS 2 -3.225 13.107 -6.534 24 3HZ LYS 2 3HZ LYS 2 -2.680 14.412 -7.475 25 H LYS 3 H LYS 3 -7.017 16.325 -1.091 26 HA LYS 3 HA LYS 3 -8.237 18.681 -2.114 27 1HB LYS 3 2HB LYS 3 -8.941 16.907 -0.316 28 2HB LYS 3 1HB LYS 3 -8.141 17.997 0.816 29 1HG LYS 3 2HG LYS 3 -9.562 19.860 0.008 30 2HG LYS 3 1HG LYS 3 -10.385 18.743 -1.081 31 1HD LYS 3 2HD LYS 3 -11.805 18.783 0.791 32 2HD LYS 3 1HD LYS 3 -10.827 17.342 1.071 33 1HE LYS 3 2HE LYS 3 -9.537 18.382 2.740 34 2HE LYS 3 1HE LYS 3 -9.941 20.012 2.165 35 1HZ LYS 3 1HZ LYS 3 -11.876 18.069 3.314 36 2HZ LYS 3 2HZ LYS 3 -12.239 19.641 2.779 37 3HZ LYS 3 3HZ LYS 3 -11.241 19.410 4.135 38 H LYS 4 H LYS 4 -5.854 18.321 0.535 39 HA LYS 4 HA LYS 4 -5.584 21.076 1.181 40 1HB LYS 4 2HB LYS 4 -3.891 18.601 1.426 41 2HB LYS 4 1HB LYS 4 -3.225 20.161 1.910 42 1HG LYS 4 2HG LYS 4 -5.412 20.449 3.265 43 2HG LYS 4 1HG LYS 4 -5.616 18.712 3.041 44 1HD LYS 4 2HD LYS 4 -3.695 18.193 4.278 45 2HD LYS 4 1HD LYS 4 -3.001 19.799 4.054 46 1HE LYS 4 2HE LYS 4 -3.770 19.780 6.318 47 2HE LYS 4 1HE LYS 4 -5.035 20.651 5.429 48 1HZ LYS 4 1HZ LYS 4 -5.986 18.887 6.798 49 2HZ LYS 4 2HZ LYS 4 -5.027 17.733 6.001 50 3HZ LYS 4 3HZ LYS 4 -6.233 18.575 5.149 51 H ASP 5 H ASP 5 -2.982 19.255 -0.449 52 HA ASP 5 HA ASP 5 -2.846 21.072 -2.730 53 1HB ASP 5 2HB ASP 5 -1.362 21.546 -0.212 54 2HB ASP 5 1HB ASP 5 -0.383 21.648 -1.676 55 HA PRO 6 HA PRO 6 -0.504 17.644 -4.228 56 1HB PRO 6 2HB PRO 6 1.060 18.812 -6.145 57 2HB PRO 6 1HB PRO 6 -0.682 18.541 -6.353 58 1HG PRO 6 2HG PRO 6 0.775 21.034 -5.641 59 2HG PRO 6 1HG PRO 6 -0.644 20.811 -6.676 60 1HD PRO 6 2HD PRO 6 -0.770 21.729 -4.105 61 2HD PRO 6 1HD PRO 6 -2.098 20.870 -4.915 62 H ASN 7 H ASN 7 1.401 20.580 -3.555 63 HA ASN 7 HA ASN 7 3.902 19.121 -3.180 64 1HB ASN 7 2HB ASN 7 4.703 21.372 -2.501 65 2HB ASN 7 1HB ASN 7 3.782 21.437 -4.001 66 1HD2 ASN 7 1HD2 ASN 7 1.804 22.629 -4.005 67 2HD2 ASN 7 2HD2 ASN 7 1.230 23.476 -2.650 68 H ALA 8 H ALA 8 1.157 19.509 -1.188 69 HA ALA 8 HA ALA 8 2.701 19.453 1.347 70 1HB ALA 8 1HB ALA 8 0.433 19.682 2.324 71 2HB ALA 8 2HB ALA 8 -0.272 19.484 0.719 72 3HB ALA 8 3HB ALA 8 0.711 20.903 1.082 73 HA PRO 9 HA PRO 9 2.388 15.004 1.272 74 1HB PRO 9 2HB PRO 9 3.119 14.483 3.854 75 2HB PRO 9 1HB PRO 9 4.282 14.935 2.594 76 1HG PRO 9 2HG PRO 9 3.075 16.602 4.741 77 2HG PRO 9 1HG PRO 9 4.726 16.603 4.104 78 1HD PRO 9 2HD PRO 9 2.843 18.459 3.421 79 2HD PRO 9 1HD PRO 9 4.188 17.986 2.359 80 H LYS 10 H LYS 10 0.170 14.556 1.107 81 HA LYS 10 HA LYS 10 -1.842 15.210 3.010 82 1HB LYS 10 2HB LYS 10 -3.163 13.542 1.751 83 2HB LYS 10 1HB LYS 10 -2.215 14.541 0.651 84 1HG LYS 10 2HG LYS 10 -0.484 12.452 1.245 85 2HG LYS 10 1HG LYS 10 -2.053 11.655 1.163 86 1HD LYS 10 2HD LYS 10 -1.735 11.631 -1.081 87 2HD LYS 10 1HD LYS 10 -2.143 13.345 -1.021 88 1HE LYS 10 2HE LYS 10 0.245 13.922 -0.778 89 2HE LYS 10 1HE LYS 10 0.667 12.198 -0.812 90 1HZ LYS 10 1HZ LYS 10 -0.578 12.076 -2.957 91 2HZ LYS 10 2HZ LYS 10 0.846 12.999 -3.027 92 3HZ LYS 10 3HZ LYS 10 -0.667 13.769 -2.948 93 H ARG 11 H ARG 11 -3.116 12.726 3.587 94 HA ARG 11 HA ARG 11 -1.750 11.942 5.998 95 1HB ARG 11 2HB ARG 11 -4.271 11.548 4.658 96 2HB ARG 11 1HB ARG 11 -3.666 9.977 5.182 97 1HG ARG 11 2HG ARG 11 -4.931 10.839 7.017 98 2HG ARG 11 1HG ARG 11 -3.236 11.052 7.458 99 1HD ARG 11 2HD ARG 11 -3.533 13.415 6.313 100 2HD ARG 11 1HD ARG 11 -5.252 13.129 6.653 101 HE ARG 11 HE ARG 11 -3.130 12.994 8.766 102 1HH1 ARG 11 1HH1 ARG 11 -4.932 15.449 8.278 103 2HH1 ARG 11 2HH1 ARG 11 -6.121 15.220 9.517 104 1HH2 ARG 11 1HH2 ARG 11 -5.261 11.911 10.098 105 2HH2 ARG 11 2HH2 ARG 11 -6.306 13.217 10.549 106 HA PRO 12 HA PRO 12 0.894 8.877 4.169 107 1HB PRO 12 2HB PRO 12 1.634 7.527 6.429 108 2HB PRO 12 1HB PRO 12 2.286 9.121 6.001 109 1HG PRO 12 2HG PRO 12 0.197 8.402 7.981 110 2HG PRO 12 1HG PRO 12 1.432 9.665 8.045 111 1HD PRO 12 2HD PRO 12 -1.214 10.106 7.443 112 2HD PRO 12 1HD PRO 12 0.120 11.176 6.964 113 HA PRO 13 HA PRO 13 -2.060 5.528 4.002 114 1HB PRO 13 2HB PRO 13 -0.801 3.980 2.137 115 2HB PRO 13 1HB PRO 13 -1.683 5.463 1.725 116 1HG PRO 13 2HG PRO 13 1.224 4.985 1.884 117 2HG PRO 13 1HG PRO 13 0.316 6.117 0.876 118 1HD PRO 13 2HD PRO 13 1.728 6.745 3.209 119 2HD PRO 13 1HD PRO 13 0.546 7.784 2.386 120 H SER 14 H SER 14 -1.739 2.920 3.946 121 HA SER 14 HA SER 14 0.609 1.997 5.467 122 1HB SER 14 2HB SER 14 -0.919 3.130 7.103 123 2HB SER 14 1HB SER 14 -2.175 1.973 6.672 124 HG SER 14 HG SER 14 -0.610 1.577 8.550 125 H ALA 15 H ALA 15 0.055 0.985 3.053 126 HA ALA 15 HA ALA 15 -0.300 -1.031 1.928 127 1HB ALA 15 1HB ALA 15 0.253 -2.769 3.264 128 2HB ALA 15 2HB ALA 15 -1.285 -2.653 4.117 129 3HB ALA 15 3HB ALA 15 0.097 -1.698 4.655 130 H PHE 16 H PHE 16 -2.780 -1.398 4.487 131 HA PHE 16 HA PHE 16 -4.911 -2.228 2.899 132 1HB PHE 16 2HB PHE 16 -4.667 -1.934 5.428 133 2HB PHE 16 1HB PHE 16 -5.159 -0.261 5.177 134 HD1 PHE 16 1HD PHE 16 -7.375 0.196 3.993 135 HD2 PHE 16 2HD PHE 16 -6.273 -3.681 5.481 136 HE1 PHE 16 1HE PHE 16 -9.750 -0.512 3.908 137 HE2 PHE 16 2HE PHE 16 -8.649 -4.388 5.395 138 HZ PHE 16 HZ PHE 16 -10.387 -2.804 4.608 139 H PHE 17 H PHE 17 -4.142 1.172 3.743 140 HA PHE 17 HA PHE 17 -6.249 2.409 2.265 141 1HB PHE 17 2HB PHE 17 -4.559 3.344 3.992 142 2HB PHE 17 1HB PHE 17 -3.458 3.523 2.625 143 HD1 PHE 17 1HD PHE 17 -6.269 4.928 4.387 144 HD2 PHE 17 2HD PHE 17 -4.246 4.871 0.599 145 HE1 PHE 17 1HE PHE 17 -7.401 7.041 3.751 146 HE2 PHE 17 2HE PHE 17 -5.379 6.984 -0.037 147 HZ PHE 17 HZ PHE 17 -6.955 8.069 1.539 148 H LEU 18 H LEU 18 -2.942 1.476 1.332 149 HA LEU 18 HA LEU 18 -2.935 2.548 -1.312 150 1HB LEU 18 2HB LEU 18 -1.583 0.045 -0.238 151 2HB LEU 18 1HB LEU 18 -1.070 0.984 -1.637 152 HG LEU 18 HG LEU 18 -1.094 1.924 1.254 153 1HD1 LEU 18 1HD1 LEU 18 1.402 2.163 0.692 154 2HD1 LEU 18 2HD1 LEU 18 1.063 1.149 -0.710 155 3HD1 LEU 18 3HD1 LEU 18 0.788 0.525 0.916 156 1HD2 LEU 18 1HD2 LEU 18 0.191 3.895 0.105 157 2HD2 LEU 18 2HD2 LEU 18 -1.570 3.885 0.025 158 3HD2 LEU 18 3HD2 LEU 18 -0.622 3.354 -1.364 159 H PHE 19 H PHE 19 -3.818 -0.710 -0.111 160 HA PHE 19 HA PHE 19 -4.486 -1.837 -2.662 161 1HB PHE 19 2HB PHE 19 -4.047 -3.032 -0.488 162 2HB PHE 19 1HB PHE 19 -5.621 -2.475 0.080 163 HD1 PHE 19 1HD PHE 19 -7.696 -3.334 -0.895 164 HD2 PHE 19 2HD PHE 19 -3.861 -4.710 -2.252 165 HE1 PHE 19 1HE PHE 19 -8.789 -5.233 -2.058 166 HE2 PHE 19 2HE PHE 19 -4.953 -6.609 -3.414 167 HZ PHE 19 HZ PHE 19 -7.418 -6.871 -3.317 168 H CYS 20 H CYS 20 -6.571 -0.415 -0.117 169 HA CYS 20 HA CYS 20 -9.011 -0.587 -1.665 170 1HB CYS 20 2HB CYS 20 -8.580 -0.310 0.883 171 2HB CYS 20 1HB CYS 20 -8.421 1.409 0.523 172 HG CYS 20 HG CYS 20 -11.037 -0.235 0.025 173 H SER 21 H SER 21 -6.335 1.625 -1.692 174 HA SER 21 HA SER 21 -7.764 3.930 -2.743 175 1HB SER 21 2HB SER 21 -5.734 4.271 -1.542 176 2HB SER 21 1HB SER 21 -4.872 3.085 -2.517 177 HG SER 21 HG SER 21 -5.926 5.579 -3.383 178 H GLU 22 H GLU 22 -6.507 1.016 -4.227 179 HA GLU 22 HA GLU 22 -6.911 2.303 -6.910 180 1HB GLU 22 2HB GLU 22 -5.024 0.902 -7.680 181 2HB GLU 22 1HB GLU 22 -4.543 1.970 -6.363 182 1HG GLU 22 2HG GLU 22 -4.810 0.122 -4.755 183 2HG GLU 22 1HG GLU 22 -5.317 -0.947 -6.062 184 H TYR 23 H TYR 23 -7.749 -0.394 -4.873 185 HA TYR 23 HA TYR 23 -8.491 -2.147 -7.126 186 1HB TYR 23 2HB TYR 23 -8.370 -2.250 -4.150 187 2HB TYR 23 1HB TYR 23 -9.479 -3.360 -4.950 188 HD1 TYR 23 1HD TYR 23 -5.929 -2.292 -4.723 189 HD2 TYR 23 2HD TYR 23 -8.683 -5.215 -6.244 190 HE1 TYR 23 1HE TYR 23 -4.030 -3.763 -5.331 191 HE2 TYR 23 2HE TYR 23 -6.783 -6.688 -6.851 192 HH TYR 23 HH TYR 23 -4.180 -6.187 -7.426 193 H ARG 24 H ARG 24 -9.934 0.593 -6.253 194 HA ARG 24 HA ARG 24 -12.667 -0.385 -5.828 195 1HB ARG 24 2HB ARG 24 -11.499 2.379 -6.215 196 2HB ARG 24 1HB ARG 24 -13.162 2.024 -5.743 197 1HG ARG 24 2HG ARG 24 -12.319 0.813 -3.747 198 2HG ARG 24 1HG ARG 24 -10.674 1.261 -4.197 199 1HD ARG 24 2HD ARG 24 -11.155 3.022 -2.754 200 2HD ARG 24 1HD ARG 24 -11.802 3.714 -4.255 201 HE ARG 24 HE ARG 24 -14.017 2.597 -3.538 202 1HH1 ARG 24 1HH2 ARG 24 -13.588 5.162 -2.108 203 2HH1 ARG 24 2HH2 ARG 24 -13.775 4.706 -0.447 204 1HH2 ARG 24 1HH1 ARG 24 -13.387 1.314 -1.058 205 2HH2 ARG 24 2HH1 ARG 24 -13.662 2.528 0.147 206 HA PRO 25 HA PRO 25 -13.223 1.643 -10.173 207 1HB PRO 25 2HB PRO 25 -11.019 1.750 -11.797 208 2HB PRO 25 1HB PRO 25 -11.553 3.098 -10.773 209 1HG PRO 25 2HG PRO 25 -9.397 1.103 -10.305 210 2HG PRO 25 1HG PRO 25 -9.424 2.841 -9.961 211 1HD PRO 25 2HD PRO 25 -9.784 0.967 -8.070 212 2HD PRO 25 1HD PRO 25 -10.548 2.564 -7.971 213 H LYS 26 H LYS 26 -11.212 -1.057 -9.386 214 HA LYS 26 HA LYS 26 -11.552 -2.561 -11.859 215 1HB LYS 26 2HB LYS 26 -9.791 -2.845 -10.026 216 2HB LYS 26 1HB LYS 26 -11.072 -3.543 -9.030 217 1HG LYS 26 2HG LYS 26 -10.597 -4.613 -11.798 218 2HG LYS 26 1HG LYS 26 -9.553 -5.131 -10.475 219 1HD LYS 26 2HD LYS 26 -11.778 -5.578 -9.198 220 2HD LYS 26 1HD LYS 26 -12.520 -5.533 -10.799 221 1HE LYS 26 2HE LYS 26 -10.733 -7.241 -11.512 222 2HE LYS 26 1HE LYS 26 -10.411 -7.451 -9.779 223 1HZ LYS 26 1HZ LYS 26 -13.089 -7.652 -11.052 224 2HZ LYS 26 2HZ LYS 26 -12.738 -7.899 -9.408 225 3HZ LYS 26 3HZ LYS 26 -12.142 -8.977 -10.579 226 H ILE 27 H ILE 27 -12.992 -2.727 -8.604 227 HA ILE 27 HA ILE 27 -14.973 -4.681 -8.970 228 HB ILE 27 HB ILE 27 -15.179 -2.062 -7.433 229 1HG1 ILE 27 2HG1 ILE 27 -13.108 -3.164 -6.777 230 2HG1 ILE 27 1HG1 ILE 27 -14.290 -3.377 -5.499 231 1HG2 ILE 27 1HG2 ILE 27 -16.555 -4.736 -7.122 232 2HG2 ILE 27 2HG2 ILE 27 -17.300 -3.176 -7.475 233 3HG2 ILE 27 3HG2 ILE 27 -16.587 -3.474 -5.890 234 1HD1 ILE 27 1HD1 ILE 27 -14.845 -5.619 -6.498 235 2HD1 ILE 27 2HD1 ILE 27 -13.214 -5.493 -5.840 236 3HD1 ILE 27 3HD1 ILE 27 -13.471 -5.405 -7.582 237 H LYS 28 H LYS 28 -14.948 -1.309 -9.956 238 HA LYS 28 HA LYS 28 -17.777 -1.118 -10.537 239 1HB LYS 28 2HB LYS 28 -15.746 0.621 -11.913 240 2HB LYS 28 1HB LYS 28 -17.301 1.059 -11.227 241 1HG LYS 28 2HG LYS 28 -14.690 0.601 -9.815 242 2HG LYS 28 1HG LYS 28 -15.656 2.058 -9.830 243 1HD LYS 28 2HD LYS 28 -16.339 -0.547 -8.424 244 2HD LYS 28 1HD LYS 28 -15.866 0.968 -7.666 245 1HE LYS 28 2HE LYS 28 -18.306 0.766 -9.461 246 2HE LYS 28 1HE LYS 28 -18.385 0.519 -7.705 247 1HZ LYS 28 1HZ LYS 28 -17.369 2.919 -9.130 248 2HZ LYS 28 2HZ LYS 28 -17.185 2.663 -7.460 249 3HZ LYS 28 3HZ LYS 28 -18.737 2.830 -8.132 250 H SER 29 H SER 29 -14.921 -1.903 -12.491 251 HA SER 29 HA SER 29 -16.089 -1.822 -15.079 252 1HB SER 29 2HB SER 29 -13.662 -2.122 -14.383 253 2HB SER 29 1HB SER 29 -14.042 -3.810 -14.057 254 HG SER 29 HG SER 29 -13.489 -2.636 -16.385 255 H GLU 30 H GLU 30 -16.443 -4.180 -12.505 256 HA GLU 30 HA GLU 30 -18.034 -5.931 -14.353 257 1HB GLU 30 2HB GLU 30 -15.945 -6.379 -12.342 258 2HB GLU 30 1HB GLU 30 -17.354 -7.405 -12.091 259 1HG GLU 30 2HG GLU 30 -16.075 -7.105 -14.811 260 2HG GLU 30 1HG GLU 30 -15.522 -8.315 -13.652 261 H HIS 31 H HIS 31 -18.056 -4.105 -11.366 262 HA HIS 31 HA HIS 31 -20.844 -5.082 -10.830 263 1HB HIS 31 2HB HIS 31 -18.870 -3.946 -8.824 264 2HB HIS 31 1HB HIS 31 -20.383 -4.772 -8.481 265 HD1 HIS 31 1HD HIS 31 -16.812 -5.378 -9.315 266 HD2 HIS 31 2HD HIS 31 -20.290 -7.638 -8.895 267 HE1 HIS 31 1HE HIS 31 -16.083 -7.797 -9.203 268 HA PRO 32 HA PRO 32 -21.205 -0.631 -11.778 269 1HB PRO 32 2HB PRO 32 -23.757 -0.760 -12.756 270 2HB PRO 32 1HB PRO 32 -22.323 -1.107 -13.736 271 1HG PRO 32 2HG PRO 32 -24.261 -2.974 -12.504 272 2HG PRO 32 1HG PRO 32 -23.362 -3.112 -14.023 273 1HD PRO 32 2HD PRO 32 -22.715 -4.420 -11.683 274 2HD PRO 32 1HD PRO 32 -21.593 -4.113 -13.025 275 H GLY 33 H GLY 33 -23.559 -2.756 -10.193 276 1HA GLY 33 2HA GLY 33 -24.884 -0.579 -8.777 277 2HA GLY 33 1HA GLY 33 -25.134 -2.300 -8.504 278 H LEU 34 H LEU 34 -21.937 -2.243 -8.311 279 HA LEU 34 HA LEU 34 -21.794 -2.414 -5.453 280 1HB LEU 34 2HB LEU 34 -20.117 -2.739 -7.784 281 2HB LEU 34 1HB LEU 34 -19.229 -1.845 -6.559 282 HG LEU 34 HG LEU 34 -18.932 -4.313 -6.360 283 1HD1 LEU 34 1HD1 LEU 34 -20.002 -2.550 -4.236 284 2HD1 LEU 34 2HD1 LEU 34 -18.490 -3.455 -4.301 285 3HD1 LEU 34 3HD1 LEU 34 -19.988 -4.273 -3.862 286 1HD2 LEU 34 1HD2 LEU 34 -21.623 -4.688 -5.185 287 2HD2 LEU 34 2HD2 LEU 34 -20.676 -5.777 -6.198 288 3HD2 LEU 34 3HD2 LEU 34 -21.608 -4.474 -6.935 289 H SER 35 H SER 35 -22.840 -0.306 -4.865 290 HA SER 35 HA SER 35 -21.505 2.220 -5.453 291 1HB SER 35 2HB SER 35 -23.897 2.084 -4.982 292 2HB SER 35 1HB SER 35 -23.580 1.342 -3.416 293 HG SER 35 HG SER 35 -23.977 3.608 -3.280 294 H ILE 36 H ILE 36 -20.793 3.608 -3.433 295 HA ILE 36 HA ILE 36 -18.459 2.569 -2.264 296 HB ILE 36 HB ILE 36 -20.405 4.671 -1.255 297 1HG1 ILE 36 2HG1 ILE 36 -19.504 5.105 -3.514 298 2HG1 ILE 36 1HG1 ILE 36 -18.839 6.246 -2.349 299 1HG2 ILE 36 1HG2 ILE 36 -17.561 4.022 -0.435 300 2HG2 ILE 36 2HG2 ILE 36 -18.990 4.085 0.596 301 3HG2 ILE 36 3HG2 ILE 36 -18.330 5.571 -0.086 302 1HD1 ILE 36 1HD1 ILE 36 -17.479 3.804 -3.516 303 2HD1 ILE 36 2HD1 ILE 36 -16.838 4.694 -2.135 304 3HD1 ILE 36 3HD1 ILE 36 -17.001 5.491 -3.700 305 H GLY 37 H GLY 37 -21.797 2.296 -1.132 306 1HA GLY 37 2HA GLY 37 -21.295 1.393 1.520 307 2HA GLY 37 1HA GLY 37 -22.735 0.993 0.580 308 H ASP 38 H ASP 38 -22.432 -0.769 -1.076 309 HA ASP 38 HA ASP 38 -21.376 -3.149 0.117 310 1HB ASP 38 2HB ASP 38 -22.548 -2.267 -2.470 311 2HB ASP 38 1HB ASP 38 -21.632 -3.774 -2.509 312 H THR 39 H THR 39 -19.863 -0.713 -1.906 313 HA THR 39 HA THR 39 -17.671 -2.365 -2.861 314 HB THR 39 HB THR 39 -18.096 0.628 -2.572 315 HG1 THR 39 1HG THR 39 -18.633 0.479 -4.709 316 1HG2 THR 39 1HG2 THR 39 -15.716 0.314 -2.670 317 2HG2 THR 39 2HG2 THR 39 -16.233 0.755 -4.298 318 3HG2 THR 39 3HG2 THR 39 -15.870 -0.927 -3.914 319 H ALA 40 H ALA 40 -17.999 -0.013 -0.191 320 HA ALA 40 HA ALA 40 -15.377 -0.075 0.847 321 1HB ALA 40 1HB ALA 40 -18.055 0.056 2.273 322 2HB ALA 40 2HB ALA 40 -17.168 1.426 1.603 323 3HB ALA 40 3HB ALA 40 -16.515 0.542 2.983 324 H LYS 41 H LYS 41 -18.124 -2.190 1.722 325 HA LYS 41 HA LYS 41 -16.516 -3.896 3.433 326 1HB LYS 41 2HB LYS 41 -18.595 -5.197 3.561 327 2HB LYS 41 1HB LYS 41 -18.940 -3.480 3.716 328 1HG LYS 41 2HG LYS 41 -19.328 -3.562 1.145 329 2HG LYS 41 1HG LYS 41 -19.446 -5.304 1.375 330 1HD LYS 41 2HD LYS 41 -21.679 -4.434 1.565 331 2HD LYS 41 1HD LYS 41 -21.151 -4.849 3.193 332 1HE LYS 41 2HE LYS 41 -20.291 -2.191 2.847 333 2HE LYS 41 1HE LYS 41 -21.919 -2.244 2.139 334 1HZ LYS 41 1HZ LYS 41 -22.713 -3.382 4.115 335 2HZ LYS 41 2HZ LYS 41 -22.019 -1.891 4.537 336 3HZ LYS 41 3HZ LYS 41 -21.162 -3.334 4.800 337 H LYS 42 H LYS 42 -16.889 -3.732 0.007 338 HA LYS 42 HA LYS 42 -16.581 -6.557 -0.607 339 1HB LYS 42 2HB LYS 42 -17.269 -4.292 -1.958 340 2HB LYS 42 1HB LYS 42 -15.604 -4.471 -2.487 341 1HG LYS 42 2HG LYS 42 -16.911 -5.677 -4.070 342 2HG LYS 42 1HG LYS 42 -16.195 -6.904 -3.022 343 1HD LYS 42 2HD LYS 42 -18.793 -5.853 -2.086 344 2HD LYS 42 1HD LYS 42 -18.865 -6.747 -3.604 345 1HE LYS 42 2HE LYS 42 -17.141 -8.139 -1.737 346 2HE LYS 42 1HE LYS 42 -18.726 -7.846 -1.006 347 1HZ LYS 42 1HZ LYS 42 -18.287 -8.949 -3.730 348 2HZ LYS 42 2HZ LYS 42 -19.792 -8.705 -2.979 349 3HZ LYS 42 3HZ LYS 42 -18.715 -9.870 -2.371 350 H LEU 43 H LEU 43 -14.344 -3.793 -0.910 351 HA LEU 43 HA LEU 43 -11.970 -5.201 -1.477 352 1HB LEU 43 2HB LEU 43 -12.571 -2.629 0.003 353 2HB LEU 43 1HB LEU 43 -10.925 -3.116 -0.412 354 HG LEU 43 HG LEU 43 -13.058 -3.097 -2.532 355 1HD1 LEU 43 1HD1 LEU 43 -12.676 -0.843 -1.092 356 2HD1 LEU 43 2HD1 LEU 43 -13.003 -0.825 -2.825 357 3HD1 LEU 43 3HD1 LEU 43 -11.347 -0.683 -2.238 358 1HD2 LEU 43 1HD2 LEU 43 -11.187 -2.872 -4.006 359 2HD2 LEU 43 2HD2 LEU 43 -10.711 -4.079 -2.811 360 3HD2 LEU 43 3HD2 LEU 43 -10.109 -2.426 -2.684 361 H GLY 44 H GLY 44 -13.488 -4.567 1.681 362 1HA GLY 44 2HA GLY 44 -11.310 -5.350 3.338 363 2HA GLY 44 1HA GLY 44 -13.008 -5.422 3.808 364 H GLU 45 H GLU 45 -14.062 -7.290 2.117 365 HA GLU 45 HA GLU 45 -13.423 -9.785 3.261 366 1HB GLU 45 2HB GLU 45 -15.363 -8.881 1.704 367 2HB GLU 45 1HB GLU 45 -14.370 -9.575 0.423 368 1HG GLU 45 2HG GLU 45 -15.856 -11.319 1.085 369 2HG GLU 45 1HG GLU 45 -14.306 -11.713 1.829 370 H MET 46 H MET 46 -12.061 -8.250 0.365 371 HA MET 46 HA MET 46 -10.551 -10.545 -0.553 372 1HB MET 46 2HB MET 46 -10.274 -7.546 -0.942 373 2HB MET 46 1HB MET 46 -9.349 -8.740 -1.853 374 1HG MET 46 2HG MET 46 -12.372 -8.763 -1.740 375 2HG MET 46 1HG MET 46 -11.472 -7.900 -2.987 376 1HE MET 46 1HE MET 46 -13.295 -9.399 -4.094 377 2HE MET 46 2HE MET 46 -13.573 -10.822 -3.093 378 3HE MET 46 3HE MET 46 -12.950 -11.014 -4.729 379 H TRP 47 H TRP 47 -9.613 -7.611 1.258 380 HA TRP 47 HA TRP 47 -6.900 -8.144 1.739 381 1HB TRP 47 2HB TRP 47 -8.469 -6.159 2.356 382 2HB TRP 47 1HB TRP 47 -8.748 -7.044 3.855 383 HD1 TRP 47 HD TRP 47 -7.105 -6.544 5.719 384 HE1 TRP 47 1HE TRP 47 -4.719 -5.580 5.872 385 HE3 TRP 47 3HE TRP 47 -6.040 -6.029 0.751 386 HZ2 TRP 47 2HZ TRP 47 -2.633 -4.706 4.119 387 HZ3 TRP 47 3HZ TRP 47 -3.849 -5.129 0.021 388 HH2 TRP 47 HH TRP 47 -2.147 -4.467 1.697 389 H SER 48 H SER 48 -9.563 -8.958 4.018 390 HA SER 48 HA SER 48 -7.982 -10.532 5.796 391 1HB SER 48 2HB SER 48 -10.301 -9.556 6.121 392 2HB SER 48 1HB SER 48 -10.920 -10.866 5.119 393 HG SER 48 HG SER 48 -9.892 -10.898 7.703 394 H GLU 49 H GLU 49 -9.711 -11.389 2.824 395 HA GLU 49 HA GLU 49 -9.628 -14.225 3.010 396 1HB GLU 49 2HB GLU 49 -9.891 -12.131 0.936 397 2HB GLU 49 1HB GLU 49 -9.332 -13.692 0.336 398 1HG GLU 49 2HG GLU 49 -11.255 -14.817 1.271 399 2HG GLU 49 1HG GLU 49 -11.767 -13.350 2.105 400 H GLN 50 H GLN 50 -7.193 -11.937 1.752 401 HA GLN 50 HA GLN 50 -5.311 -13.928 0.853 402 1HB GLN 50 2HB GLN 50 -5.133 -11.018 1.672 403 2HB GLN 50 1HB GLN 50 -3.744 -11.904 1.042 404 1HG GLN 50 2HG GLN 50 -6.393 -11.748 -0.414 405 2HG GLN 50 1HG GLN 50 -5.076 -10.609 -0.694 406 1HE2 GLN 50 1HE2 GLN 50 -6.221 -13.830 -1.376 407 2HE2 GLN 50 2HE2 GLN 50 -4.887 -14.328 -2.301 408 H SER 51 H SER 51 -3.100 -14.192 1.921 409 HA SER 51 HA SER 51 -3.204 -14.015 4.903 410 1HB SER 51 2HB SER 51 -2.503 -16.477 3.273 411 2HB SER 51 1HB SER 51 -2.534 -16.372 5.031 412 HG SER 51 HG SER 51 -4.488 -17.135 3.648 413 H ALA 52 H ALA 52 -1.529 -12.442 4.901 414 HA ALA 52 HA ALA 52 0.683 -11.621 4.783 415 1HB ALA 52 1HB ALA 52 2.290 -13.241 5.492 416 2HB ALA 52 2HB ALA 52 1.393 -14.561 4.744 417 3HB ALA 52 3HB ALA 52 0.755 -13.768 6.184 418 H LYS 53 H LYS 53 -0.513 -11.727 2.240 419 HA LYS 53 HA LYS 53 1.862 -12.329 0.530 420 1HB LYS 53 2HB LYS 53 0.081 -14.183 0.611 421 2HB LYS 53 1HB LYS 53 -0.975 -13.053 -0.237 422 1HG LYS 53 2HG LYS 53 1.757 -13.404 -1.360 423 2HG LYS 53 1HG LYS 53 0.653 -14.770 -1.534 424 1HD LYS 53 2HD LYS 53 -0.902 -13.515 -2.780 425 2HD LYS 53 1HD LYS 53 -0.235 -11.976 -2.231 426 1HE LYS 53 2HE LYS 53 1.868 -12.481 -3.500 427 2HE LYS 53 1HE LYS 53 1.083 -13.938 -4.142 428 1HZ LYS 53 1HZ LYS 53 -0.723 -12.558 -4.968 429 2HZ LYS 53 2HZ LYS 53 0.758 -12.052 -5.629 430 3HZ LYS 53 3HZ LYS 53 0.038 -11.163 -4.372 431 H ASP 54 H ASP 54 -1.513 -11.176 0.137 432 HA ASP 54 HA ASP 54 -0.937 -9.263 -1.904 433 1HB ASP 54 2HB ASP 54 -3.153 -10.299 -1.128 434 2HB ASP 54 1HB ASP 54 -3.146 -9.085 0.153 435 H LYS 55 H LYS 55 -0.371 -9.113 1.528 436 HA LYS 55 HA LYS 55 -0.215 -6.142 1.487 437 1HB LYS 55 2HB LYS 55 -1.423 -7.343 3.287 438 2HB LYS 55 1HB LYS 55 0.065 -8.189 3.712 439 1HG LYS 55 2HG LYS 55 1.112 -6.203 4.465 440 2HG LYS 55 1HG LYS 55 -0.069 -5.174 3.654 441 1HD LYS 55 2HD LYS 55 -1.828 -6.190 5.190 442 2HD LYS 55 1HD LYS 55 -0.497 -6.898 6.104 443 1HE LYS 55 2HE LYS 55 -0.605 -3.932 5.498 444 2HE LYS 55 1HE LYS 55 -1.343 -4.627 6.955 445 1HZ LYS 55 1HZ LYS 55 0.958 -4.009 7.377 446 2HZ LYS 55 2HZ LYS 55 1.480 -4.992 6.093 447 3HZ LYS 55 3HZ LYS 55 0.771 -5.692 7.470 448 H GLN 56 H GLN 56 1.832 -9.018 1.828 449 HA GLN 56 HA GLN 56 4.212 -8.096 2.865 450 1HB GLN 56 2HB GLN 56 3.371 -10.067 0.837 451 2HB GLN 56 1HB GLN 56 5.076 -9.623 0.761 452 1HG GLN 56 2HG GLN 56 4.997 -9.968 3.363 453 2HG GLN 56 1HG GLN 56 3.556 -10.921 3.007 454 1HE2 GLN 56 1HE2 GLN 56 6.856 -11.234 3.400 455 2HE2 GLN 56 2HE2 GLN 56 7.115 -12.624 2.461 456 HA PRO 57 HA PRO 57 5.766 -6.128 -1.160 457 1HB PRO 57 2HB PRO 57 4.195 -6.061 -3.381 458 2HB PRO 57 1HB PRO 57 5.244 -7.440 -2.995 459 1HG PRO 57 2HG PRO 57 2.320 -7.135 -2.659 460 2HG PRO 57 1HG PRO 57 3.258 -8.569 -3.096 461 1HD PRO 57 2HD PRO 57 2.216 -8.060 -0.589 462 2HD PRO 57 1HD PRO 57 3.572 -9.157 -0.929 463 H TYR 58 H TYR 58 2.260 -5.751 -0.781 464 HA TYR 58 HA TYR 58 2.280 -2.916 -1.527 465 1HB TYR 58 2HB TYR 58 0.379 -5.067 -0.827 466 2HB TYR 58 1HB TYR 58 -0.161 -3.443 -0.421 467 HD1 TYR 58 1HD TYR 58 -0.404 -1.717 -2.185 468 HD2 TYR 58 2HD TYR 58 0.661 -5.772 -3.121 469 HE1 TYR 58 1HE TYR 58 -0.956 -1.312 -4.569 470 HE2 TYR 58 2HE TYR 58 0.109 -5.368 -5.504 471 HH TYR 58 HH TYR 58 -1.677 -3.359 -6.660 472 H GLU 59 H GLU 59 3.417 -4.320 1.249 473 HA GLU 59 HA GLU 59 2.188 -2.310 3.084 474 1HB GLU 59 2HB GLU 59 3.154 -3.741 4.842 475 2HB GLU 59 1HB GLU 59 2.204 -4.703 3.721 476 1HG GLU 59 2HG GLU 59 4.010 -6.009 3.371 477 2HG GLU 59 1HG GLU 59 4.828 -4.624 2.650 478 H GLN 60 H GLN 60 5.161 -3.036 1.406 479 HA GLN 60 HA GLN 60 6.882 -1.420 3.127 480 1HB GLN 60 2HB GLN 60 8.520 -1.864 1.304 481 2HB GLN 60 1HB GLN 60 7.713 -3.337 1.835 482 1HG GLN 60 2HG GLN 60 6.397 -3.462 -0.092 483 2HG GLN 60 1HG GLN 60 6.600 -1.754 -0.470 484 1HE2 GLN 60 1HE2 GLN 60 7.949 -4.932 -0.934 485 2HE2 GLN 60 2HE2 GLN 60 9.290 -4.450 -1.858 486 H LYS 61 H LYS 61 4.802 -0.850 0.378 487 HA LYS 61 HA LYS 61 5.971 1.549 -0.660 488 1HB LYS 61 2HB LYS 61 4.231 0.186 -1.769 489 2HB LYS 61 1HB LYS 61 3.081 0.615 -0.503 490 1HG LYS 61 2HG LYS 61 3.039 2.898 -1.168 491 2HG LYS 61 1HG LYS 61 4.476 2.712 -2.175 492 1HD LYS 61 2HD LYS 61 3.107 1.022 -3.540 493 2HD LYS 61 1HD LYS 61 1.696 1.642 -2.682 494 1HE LYS 61 2HE LYS 61 3.596 3.549 -4.045 495 2HE LYS 61 1HE LYS 61 2.301 2.752 -4.959 496 1HZ LYS 61 1HZ LYS 61 1.959 4.306 -2.448 497 2HZ LYS 61 2HZ LYS 61 0.717 3.496 -3.279 498 3HZ LYS 61 3HZ LYS 61 1.503 4.820 -3.998 499 H ALA 62 H ALA 62 3.571 1.003 1.920 500 HA ALA 62 HA ALA 62 3.100 3.809 2.464 501 1HB ALA 62 1HB ALA 62 2.399 2.499 4.739 502 2HB ALA 62 2HB ALA 62 2.458 1.146 3.609 503 3HB ALA 62 3HB ALA 62 1.395 2.517 3.290 504 H ALA 63 H ALA 63 5.803 1.810 3.119 505 HA ALA 63 HA ALA 63 6.563 3.174 5.625 506 1HB ALA 63 1HB ALA 63 6.920 0.725 5.082 507 2HB ALA 63 2HB ALA 63 8.379 1.578 5.590 508 3HB ALA 63 3HB ALA 63 8.108 1.235 3.881 509 H LYS 64 H LYS 64 6.595 4.156 2.461 510 HA LYS 64 HA LYS 64 9.293 5.431 2.598 511 1HB LYS 64 2HB LYS 64 7.291 4.772 0.427 512 2HB LYS 64 1HB LYS 64 8.641 5.866 0.133 513 1HG LYS 64 2HG LYS 64 8.937 3.047 1.206 514 2HG LYS 64 1HG LYS 64 9.135 3.485 -0.491 515 1HD LYS 64 2HD LYS 64 10.874 5.189 0.299 516 2HD LYS 64 1HD LYS 64 10.813 4.374 1.862 517 1HE LYS 64 2HE LYS 64 12.590 3.273 0.739 518 2HE LYS 64 1HE LYS 64 11.210 2.192 0.462 519 1HZ LYS 64 1HZ LYS 64 10.772 3.296 -1.622 520 2HZ LYS 64 2HZ LYS 64 12.379 2.744 -1.613 521 3HZ LYS 64 3HZ LYS 64 12.042 4.389 -1.359 522 H LEU 65 H LEU 65 5.837 6.021 2.336 523 HA LEU 65 HA LEU 65 6.071 8.911 1.957 524 1HB LEU 65 2HB LEU 65 3.956 6.832 2.300 525 2HB LEU 65 1HB LEU 65 3.509 8.500 2.657 526 HG LEU 65 HG LEU 65 4.664 9.037 0.375 527 1HD1 LEU 65 1HD1 LEU 65 4.294 7.049 -1.207 528 2HD1 LEU 65 2HD1 LEU 65 4.214 6.050 0.244 529 3HD1 LEU 65 3HD1 LEU 65 5.687 6.946 -0.130 530 1HD2 LEU 65 1HD2 LEU 65 2.515 8.491 -0.813 531 2HD2 LEU 65 2HD2 LEU 65 2.275 9.315 0.728 532 3HD2 LEU 65 3HD2 LEU 65 2.016 7.575 0.608 533 H LYS 66 H LYS 66 6.704 7.025 4.648 534 HA LYS 66 HA LYS 66 5.426 8.819 6.627 535 1HB LYS 66 2HB LYS 66 5.601 6.240 6.699 536 2HB LYS 66 1HB LYS 66 7.296 6.494 7.113 537 1HG LYS 66 2HG LYS 66 6.699 7.749 9.088 538 2HG LYS 66 1HG LYS 66 4.996 7.754 8.628 539 1HD LYS 66 2HD LYS 66 4.927 5.297 8.837 540 2HD LYS 66 1HD LYS 66 6.630 5.288 9.296 541 1HE LYS 66 2HE LYS 66 6.191 6.431 11.348 542 2HE LYS 66 1HE LYS 66 4.549 6.868 10.834 543 1HZ LYS 66 1HZ LYS 66 3.998 4.519 10.709 544 2HZ LYS 66 2HZ LYS 66 4.517 4.920 12.276 545 3HZ LYS 66 3HZ LYS 66 5.560 4.099 11.217 546 H GLU 67 H GLU 67 8.518 8.247 5.083 547 HA GLU 67 HA GLU 67 10.071 9.725 7.101 548 1HB GLU 67 2HB GLU 67 10.506 8.201 4.573 549 2HB GLU 67 1HB GLU 67 11.725 9.402 5.001 550 1HG GLU 67 2HG GLU 67 11.902 8.361 7.262 551 2HG GLU 67 1HG GLU 67 10.769 7.112 6.744 552 H LYS 68 H LYS 68 8.141 10.530 4.364 553 HA LYS 68 HA LYS 68 9.605 13.091 3.899 554 1HB LYS 68 2HB LYS 68 8.472 11.186 2.226 555 2HB LYS 68 1HB LYS 68 7.238 12.445 2.267 556 1HG LYS 68 2HG LYS 68 9.238 14.079 1.876 557 2HG LYS 68 1HG LYS 68 10.092 12.635 1.331 558 1HD LYS 68 2HD LYS 68 9.130 13.446 -0.653 559 2HD LYS 68 1HD LYS 68 7.975 12.220 -0.131 560 1HE LYS 68 2HE LYS 68 6.593 14.081 -0.614 561 2HE LYS 68 1HE LYS 68 6.829 14.217 1.140 562 1HZ LYS 68 1HZ LYS 68 7.327 16.310 -0.012 563 2HZ LYS 68 2HZ LYS 68 8.532 15.524 -0.917 564 3HZ LYS 68 3HZ LYS 68 8.694 15.679 0.768 565 H TYR 69 H TYR 69 6.559 11.714 5.007 566 HA TYR 69 HA TYR 69 5.101 14.230 5.166 567 1HB TYR 69 2HB TYR 69 4.011 12.042 4.926 568 2HB TYR 69 1HB TYR 69 4.732 11.490 6.436 569 HD1 TYR 69 1HD TYR 69 1.983 13.278 4.917 570 HD2 TYR 69 2HD TYR 69 4.106 12.678 8.600 571 HE1 TYR 69 1HE TYR 69 0.061 14.211 6.176 572 HE2 TYR 69 2HE TYR 69 2.185 13.611 9.860 573 HH TYR 69 HH TYR 69 0.083 15.429 8.925 574 H GLU 70 H GLU 70 6.489 12.058 7.653 575 HA GLU 70 HA GLU 70 6.105 13.863 9.856 576 1HB GLU 70 2HB GLU 70 7.870 11.468 9.322 577 2HB GLU 70 1HB GLU 70 7.843 12.276 10.890 578 1HG GLU 70 2HG GLU 70 5.344 11.960 10.927 579 2HG GLU 70 1HG GLU 70 5.502 10.977 9.471 580 H LYS 71 H LYS 71 8.414 13.958 7.295 581 HA LYS 71 HA LYS 71 10.356 15.518 8.941 582 1HB LYS 71 2HB LYS 71 10.767 13.483 7.262 583 2HB LYS 71 1HB LYS 71 10.778 14.785 6.072 584 1HG LYS 71 2HG LYS 71 12.671 15.783 6.975 585 2HG LYS 71 1HG LYS 71 12.385 15.112 8.581 586 1HD LYS 71 2HD LYS 71 13.032 13.323 6.240 587 2HD LYS 71 1HD LYS 71 14.310 14.091 7.182 588 1HE LYS 71 2HE LYS 71 13.789 12.886 9.122 589 2HE LYS 71 1HE LYS 71 12.120 12.582 8.599 590 1HZ LYS 71 1HZ LYS 71 12.981 11.223 6.785 591 2HZ LYS 71 2HZ LYS 71 13.480 10.607 8.288 592 3HZ LYS 71 3HZ LYS 71 14.569 11.482 7.321 593 H ASP 72 H ASP 72 8.155 15.773 6.184 594 HA ASP 72 HA ASP 72 9.051 18.529 5.572 595 1HB ASP 72 2HB ASP 72 8.457 16.676 3.904 596 2HB ASP 72 1HB ASP 72 6.776 16.937 4.370 597 H ILE 73 H ILE 73 6.312 16.857 7.073 598 HA ILE 73 HA ILE 73 4.496 19.084 7.096 599 HB ILE 73 HB ILE 73 4.065 16.588 7.444 600 1HG1 ILE 73 2HG1 ILE 73 2.362 17.209 9.406 601 2HG1 ILE 73 1HG1 ILE 73 2.883 18.844 8.997 602 1HG2 ILE 73 1HG2 ILE 73 5.849 16.440 9.294 603 2HG2 ILE 73 2HG2 ILE 73 4.317 15.622 9.598 604 3HG2 ILE 73 3HG2 ILE 73 4.648 17.183 10.348 605 1HD1 ILE 73 1HD1 ILE 73 0.924 18.247 7.655 606 2HD1 ILE 73 2HD1 ILE 73 1.744 16.798 7.069 607 3HD1 ILE 73 3HD1 ILE 73 2.338 18.394 6.611 608 H ALA 74 H ALA 74 7.307 18.378 9.022 609 HA ALA 74 HA ALA 74 6.627 19.843 11.409 610 1HB ALA 74 1HB ALA 74 9.246 19.153 10.038 611 2HB ALA 74 2HB ALA 74 8.458 18.250 11.332 612 3HB ALA 74 3HB ALA 74 9.146 19.841 11.659 613 H ALA 75 H ALA 75 8.437 20.765 8.466 614 HA ALA 75 HA ALA 75 8.636 23.574 9.304 615 1HB ALA 75 1HB ALA 75 9.887 23.776 7.238 616 2HB ALA 75 2HB ALA 75 9.223 22.258 6.635 617 3HB ALA 75 3HB ALA 75 10.347 22.250 7.994 618 H TYR 76 H TYR 76 6.449 21.606 7.415 619 HA TYR 76 HA TYR 76 5.303 23.610 5.718 620 1HB TYR 76 2HB TYR 76 5.054 21.091 5.620 621 2HB TYR 76 1HB TYR 76 3.950 21.208 6.991 622 HD1 TYR 76 1HD TYR 76 4.470 22.121 3.440 623 HD2 TYR 76 2HD TYR 76 1.718 22.093 6.738 624 HE1 TYR 76 1HE TYR 76 2.613 22.689 1.897 625 HE2 TYR 76 2HE TYR 76 -0.139 22.661 5.194 626 HH TYR 76 HH TYR 76 -0.343 22.210 2.323 627 H ARG 77 H ARG 77 4.610 22.640 9.064 628 HA ARG 77 HA ARG 77 2.407 24.628 9.254 629 1HB ARG 77 2HB ARG 77 3.508 22.396 10.969 630 2HB ARG 77 1HB ARG 77 2.304 23.526 11.591 631 1HG ARG 77 2HG ARG 77 0.898 22.961 9.540 632 2HG ARG 77 1HG ARG 77 2.028 21.638 9.244 633 1HD ARG 77 2HD ARG 77 1.403 20.496 11.208 634 2HD ARG 77 1HD ARG 77 0.717 21.957 11.947 635 HE ARG 77 HE ARG 77 -0.935 21.814 9.901 636 1HH1 ARG 77 1HH1 ARG 77 -1.703 20.268 12.367 637 2HH1 ARG 77 2HH1 ARG 77 -2.029 18.697 11.715 638 1HH2 ARG 77 1HH2 ARG 77 -0.410 19.315 8.712 639 2HH2 ARG 77 2HH2 ARG 77 -1.297 18.158 9.645 640 H ALA 78 H ALA 78 5.535 25.145 9.204 641 HA ALA 78 HA ALA 78 5.884 26.495 11.821 642 1HB ALA 78 1HB ALA 78 7.685 25.130 10.857 643 2HB ALA 78 2HB ALA 78 8.187 26.819 10.924 644 3HB ALA 78 3HB ALA 78 7.668 26.115 9.393 645 H LYS 79 H LYS 79 3.827 27.664 10.303 646 HA LYS 79 HA LYS 79 4.690 29.829 8.611 647 1HB LYS 79 2HB LYS 79 2.355 30.607 8.985 648 2HB LYS 79 1HB LYS 79 2.422 28.884 8.618 649 1HG LYS 79 2HG LYS 79 2.676 28.896 11.363 650 2HG LYS 79 1HG LYS 79 1.574 30.244 11.089 651 1HD LYS 79 2HD LYS 79 1.153 27.563 9.765 652 2HD LYS 79 1HD LYS 79 0.510 27.916 11.370 653 1HE LYS 79 2HE LYS 79 -0.521 30.032 10.295 654 2HE LYS 79 1HE LYS 79 -0.188 29.240 8.742 655 1HZ LYS 79 1HZ LYS 79 -1.323 27.253 9.588 656 2HZ LYS 79 2HZ LYS 79 -2.365 28.593 9.527 657 3HZ LYS 79 3HZ LYS 79 -1.719 28.083 11.013 Start of MODEL 7 1 1H MET 1 1HT MET 1 -8.831 6.237 -0.732 2 2H MET 1 2HT MET 1 -9.023 7.563 0.314 3 3H MET 1 3HT MET 1 -7.466 7.020 -0.099 4 HA MET 1 HA MET 1 -7.825 7.671 -2.411 5 1HB MET 1 2HB MET 1 -10.343 7.201 -2.003 6 2HB MET 1 1HB MET 1 -10.413 8.859 -1.405 7 1HG MET 1 2HG MET 1 -10.929 9.116 -3.681 8 2HG MET 1 1HG MET 1 -9.199 9.459 -3.636 9 1HE MET 1 1HE MET 1 -11.322 5.664 -5.051 10 2HE MET 1 2HE MET 1 -11.961 7.290 -5.277 11 3HE MET 1 3HE MET 1 -11.725 6.663 -3.648 12 H LYS 2 H LYS 2 -6.662 9.534 -2.751 13 HA LYS 2 HA LYS 2 -6.338 11.451 -0.536 14 1HB LYS 2 2HB LYS 2 -4.980 10.638 -3.031 15 2HB LYS 2 1HB LYS 2 -4.835 12.352 -2.639 16 1HG LYS 2 2HG LYS 2 -4.412 11.133 -0.186 17 2HG LYS 2 1HG LYS 2 -3.637 10.023 -1.310 18 1HD LYS 2 2HD LYS 2 -2.609 12.209 -2.338 19 2HD LYS 2 1HD LYS 2 -3.014 12.908 -0.769 20 1HE LYS 2 2HE LYS 2 -1.678 10.281 -0.604 21 2HE LYS 2 1HE LYS 2 -0.684 11.572 -1.305 22 1HZ LYS 2 1HZ LYS 2 -1.297 13.006 0.542 23 2HZ LYS 2 2HZ LYS 2 -0.548 11.593 1.117 24 3HZ LYS 2 3HZ LYS 2 -2.234 11.767 1.224 25 H LYS 3 H LYS 3 -6.288 13.862 -1.222 26 HA LYS 3 HA LYS 3 -7.885 14.781 -3.432 27 1HB LYS 3 2HB LYS 3 -9.355 13.632 -1.413 28 2HB LYS 3 1HB LYS 3 -9.373 15.330 -0.937 29 1HG LYS 3 2HG LYS 3 -10.093 15.898 -3.287 30 2HG LYS 3 1HG LYS 3 -10.263 14.167 -3.590 31 1HD LYS 3 2HD LYS 3 -12.409 14.566 -2.889 32 2HD LYS 3 1HD LYS 3 -11.677 14.352 -1.299 33 1HE LYS 3 2HE LYS 3 -11.783 16.605 -0.798 34 2HE LYS 3 1HE LYS 3 -11.574 17.094 -2.493 35 1HZ LYS 3 1HZ LYS 3 -13.853 17.447 -1.866 36 2HZ LYS 3 2HZ LYS 3 -13.993 15.855 -1.288 37 3HZ LYS 3 3HZ LYS 3 -13.790 16.145 -2.949 38 H LYS 4 H LYS 4 -6.710 15.431 -0.144 39 HA LYS 4 HA LYS 4 -6.895 18.210 0.042 40 1HB LYS 4 2HB LYS 4 -5.003 16.100 0.983 41 2HB LYS 4 1HB LYS 4 -4.531 17.783 1.225 42 1HG LYS 4 2HG LYS 4 -7.308 16.924 1.970 43 2HG LYS 4 1HG LYS 4 -5.970 16.548 3.057 44 1HD LYS 4 2HD LYS 4 -5.354 19.090 2.666 45 2HD LYS 4 1HD LYS 4 -7.062 19.220 2.250 46 1HE LYS 4 2HE LYS 4 -7.634 18.133 4.440 47 2HE LYS 4 1HE LYS 4 -5.911 18.184 4.865 48 1HZ LYS 4 1HZ LYS 4 -7.566 20.526 4.078 49 2HZ LYS 4 2HZ LYS 4 -5.914 20.566 4.474 50 3HZ LYS 4 3HZ LYS 4 -7.064 20.166 5.657 51 H ASP 5 H ASP 5 -3.778 16.708 -0.899 52 HA ASP 5 HA ASP 5 -3.473 18.260 -3.330 53 1HB ASP 5 2HB ASP 5 -3.150 19.657 -0.932 54 2HB ASP 5 1HB ASP 5 -1.496 19.274 -1.409 55 HA PRO 6 HA PRO 6 -0.276 15.233 -3.726 56 1HB PRO 6 2HB PRO 6 1.322 16.382 -5.627 57 2HB PRO 6 1HB PRO 6 -0.260 15.669 -6.000 58 1HG PRO 6 2HG PRO 6 0.497 18.524 -5.656 59 2HG PRO 6 1HG PRO 6 -0.643 17.786 -6.792 60 1HD PRO 6 2HD PRO 6 -1.395 19.093 -4.512 61 2HD PRO 6 1HD PRO 6 -2.361 17.820 -5.290 62 H ASN 7 H ASN 7 0.666 18.605 -3.225 63 HA ASN 7 HA ASN 7 3.399 17.991 -2.390 64 1HB ASN 7 2HB ASN 7 1.573 20.394 -2.389 65 2HB ASN 7 1HB ASN 7 3.170 20.469 -1.643 66 1HD2 ASN 7 1HD2 ASN 7 4.710 21.265 -3.069 67 2HD2 ASN 7 2HD2 ASN 7 4.718 21.006 -4.747 68 H ALA 8 H ALA 8 0.295 18.037 -0.813 69 HA ALA 8 HA ALA 8 1.533 18.226 1.894 70 1HB ALA 8 1HB ALA 8 -0.897 18.351 2.556 71 2HB ALA 8 2HB ALA 8 -1.315 18.231 0.847 72 3HB ALA 8 3HB ALA 8 -0.406 19.622 1.437 73 HA PRO 9 HA PRO 9 1.142 13.692 1.527 74 1HB PRO 9 2HB PRO 9 2.995 13.068 3.430 75 2HB PRO 9 1HB PRO 9 3.434 13.500 1.766 76 1HG PRO 9 2HG PRO 9 3.541 15.142 4.238 77 2HG PRO 9 1HG PRO 9 4.640 15.114 2.854 78 1HD PRO 9 2HD PRO 9 2.717 17.033 3.281 79 2HD PRO 9 1HD PRO 9 3.411 16.634 1.696 80 H LYS 10 H LYS 10 -0.918 14.957 2.912 81 HA LYS 10 HA LYS 10 -0.948 14.385 5.731 82 1HB LYS 10 2HB LYS 10 -2.464 15.785 3.825 83 2HB LYS 10 1HB LYS 10 -3.548 14.527 4.418 84 1HG LYS 10 2HG LYS 10 -3.931 16.027 6.065 85 2HG LYS 10 1HG LYS 10 -2.468 15.347 6.759 86 1HD LYS 10 2HD LYS 10 -1.195 17.188 6.229 87 2HD LYS 10 1HD LYS 10 -2.129 17.543 4.776 88 1HE LYS 10 2HE LYS 10 -3.699 18.792 5.926 89 2HE LYS 10 1HE LYS 10 -3.517 17.840 7.413 90 1HZ LYS 10 1HZ LYS 10 -1.327 18.780 7.728 91 2HZ LYS 10 2HZ LYS 10 -2.468 20.033 7.608 92 3HZ LYS 10 3HZ LYS 10 -1.460 19.669 6.290 93 H ARG 11 H ARG 11 -2.519 12.808 6.712 94 HA ARG 11 HA ARG 11 -3.175 10.567 7.028 95 1HB ARG 11 2HB ARG 11 -4.099 11.483 4.340 96 2HB ARG 11 1HB ARG 11 -4.321 9.780 4.745 97 1HG ARG 11 2HG ARG 11 -6.199 10.417 5.837 98 2HG ARG 11 1HG ARG 11 -5.129 11.105 7.060 99 1HD ARG 11 2HD ARG 11 -5.128 13.268 5.859 100 2HD ARG 11 1HD ARG 11 -6.209 12.580 4.629 101 HE ARG 11 HE ARG 11 -7.815 12.126 6.564 102 1HH1 ARG 11 1HH1 ARG 11 -5.254 13.580 8.014 103 2HH1 ARG 11 2HH1 ARG 11 -6.111 14.953 8.630 104 1HH2 ARG 11 1HH2 ARG 11 -8.987 14.313 6.804 105 2HH2 ARG 11 2HH2 ARG 11 -8.224 15.368 7.946 106 HA PRO 12 HA PRO 12 0.520 8.687 5.096 107 1HB PRO 12 2HB PRO 12 1.186 7.124 7.241 108 2HB PRO 12 1HB PRO 12 1.683 8.821 7.091 109 1HG PRO 12 2HG PRO 12 -0.519 7.628 8.691 110 2HG PRO 12 1HG PRO 12 0.570 8.966 9.086 111 1HD PRO 12 2HD PRO 12 -2.012 9.301 8.249 112 2HD PRO 12 1HD PRO 12 -0.730 10.511 8.020 113 HA PRO 13 HA PRO 13 -1.967 5.097 4.159 114 1HB PRO 13 2HB PRO 13 -0.322 3.941 2.312 115 2HB PRO 13 1HB PRO 13 -1.317 5.367 1.960 116 1HG PRO 13 2HG PRO 13 1.587 5.169 2.456 117 2HG PRO 13 1HG PRO 13 0.683 6.320 1.464 118 1HD PRO 13 2HD PRO 13 1.716 6.799 4.017 119 2HD PRO 13 1HD PRO 13 0.518 7.797 3.168 120 H SER 14 H SER 14 -1.680 2.649 4.210 121 HA SER 14 HA SER 14 0.730 1.586 5.513 122 1HB SER 14 2HB SER 14 -0.331 1.113 7.620 123 2HB SER 14 1HB SER 14 -0.662 2.805 7.262 124 HG SER 14 HG SER 14 -2.356 0.558 7.059 125 H ALA 15 H ALA 15 0.094 0.533 3.223 126 HA ALA 15 HA ALA 15 -0.474 -1.445 2.125 127 1HB ALA 15 1HB ALA 15 0.012 -3.170 3.502 128 2HB ALA 15 2HB ALA 15 -1.547 -2.988 4.304 129 3HB ALA 15 3HB ALA 15 -0.143 -2.095 4.889 130 H PHE 16 H PHE 16 -2.927 -1.627 4.723 131 HA PHE 16 HA PHE 16 -5.140 -2.221 3.112 132 1HB PHE 16 2HB PHE 16 -4.788 -2.078 5.673 133 2HB PHE 16 1HB PHE 16 -5.260 -0.389 5.505 134 HD1 PHE 16 1HD PHE 16 -7.477 -0.036 6.110 135 HD2 PHE 16 2HD PHE 16 -6.439 -3.610 3.968 136 HE1 PHE 16 1HE PHE 16 -9.866 -0.698 6.058 137 HE2 PHE 16 2HE PHE 16 -8.828 -4.274 3.916 138 HZ PHE 16 HZ PHE 16 -10.542 -2.817 4.961 139 H PHE 17 H PHE 17 -3.923 1.005 4.033 140 HA PHE 17 HA PHE 17 -5.996 2.541 2.778 141 1HB PHE 17 2HB PHE 17 -3.909 3.041 4.414 142 2HB PHE 17 1HB PHE 17 -3.194 3.558 2.887 143 HD1 PHE 17 1HD PHE 17 -4.462 5.243 1.452 144 HD2 PHE 17 2HD PHE 17 -5.509 4.388 5.529 145 HE1 PHE 17 1HE PHE 17 -5.744 7.362 1.566 146 HE2 PHE 17 2HE PHE 17 -6.792 6.507 5.644 147 HZ PHE 17 HZ PHE 17 -6.909 7.995 3.663 148 H LEU 18 H LEU 18 -3.153 0.902 1.504 149 HA LEU 18 HA LEU 18 -3.166 2.362 -1.043 150 1HB LEU 18 2HB LEU 18 -1.759 -0.212 -0.260 151 2HB LEU 18 1HB LEU 18 -1.303 0.894 -1.549 152 HG LEU 18 HG LEU 18 -1.256 1.515 1.425 153 1HD1 LEU 18 1HD1 LEU 18 1.240 1.724 0.899 154 2HD1 LEU 18 2HD1 LEU 18 0.886 0.902 -0.620 155 3HD1 LEU 18 3HD1 LEU 18 0.583 0.088 0.916 156 1HD2 LEU 18 1HD2 LEU 18 -1.663 3.599 0.433 157 2HD2 LEU 18 2HD2 LEU 18 -0.823 3.165 -1.056 158 3HD2 LEU 18 3HD2 LEU 18 0.099 3.538 0.400 159 H PHE 19 H PHE 19 -4.173 -0.838 0.161 160 HA PHE 19 HA PHE 19 -4.904 -1.931 -2.410 161 1HB PHE 19 2HB PHE 19 -4.400 -3.160 -0.262 162 2HB PHE 19 1HB PHE 19 -5.960 -2.611 0.351 163 HD1 PHE 19 1HD PHE 19 -4.247 -4.881 -1.951 164 HD2 PHE 19 2HD PHE 19 -8.070 -3.376 -0.701 165 HE1 PHE 19 1HE PHE 19 -5.368 -6.758 -3.121 166 HE2 PHE 19 2HE PHE 19 -9.191 -5.253 -1.870 167 HZ PHE 19 HZ PHE 19 -7.840 -6.944 -3.080 168 H CYS 20 H CYS 20 -6.882 -0.534 0.235 169 HA CYS 20 HA CYS 20 -9.388 -0.685 -1.176 170 1HB CYS 20 2HB CYS 20 -8.988 -0.415 1.303 171 2HB CYS 20 1HB CYS 20 -8.519 1.255 0.989 172 HG CYS 20 HG CYS 20 -11.219 0.766 1.525 173 H SER 21 H SER 21 -6.843 1.761 -1.028 174 HA SER 21 HA SER 21 -8.398 3.782 -2.474 175 1HB SER 21 2HB SER 21 -6.669 4.260 -0.750 176 2HB SER 21 1HB SER 21 -5.444 3.581 -1.817 177 HG SER 21 HG SER 21 -6.502 6.040 -1.804 178 H GLU 22 H GLU 22 -6.972 0.944 -3.571 179 HA GLU 22 HA GLU 22 -6.498 2.163 -6.263 180 1HB GLU 22 2HB GLU 22 -4.840 0.234 -4.663 181 2HB GLU 22 1HB GLU 22 -4.631 0.413 -6.402 182 1HG GLU 22 2HG GLU 22 -4.607 2.819 -4.587 183 2HG GLU 22 1HG GLU 22 -3.146 1.867 -4.845 184 H TYR 23 H TYR 23 -8.386 -0.026 -4.572 185 HA TYR 23 HA TYR 23 -8.550 -1.925 -6.883 186 1HB TYR 23 2HB TYR 23 -8.910 -2.081 -3.923 187 2HB TYR 23 1HB TYR 23 -9.892 -3.156 -4.918 188 HD1 TYR 23 1HD TYR 23 -8.991 -5.205 -5.572 189 HD2 TYR 23 2HD TYR 23 -6.346 -1.955 -4.624 190 HE1 TYR 23 1HE TYR 23 -7.038 -6.699 -5.897 191 HE2 TYR 23 2HE TYR 23 -4.395 -3.449 -4.949 192 HH TYR 23 HH TYR 23 -4.383 -6.133 -6.567 193 H ARG 24 H ARG 24 -10.375 0.359 -4.926 194 HA ARG 24 HA ARG 24 -13.030 -0.305 -5.423 195 1HB ARG 24 2HB ARG 24 -11.621 2.369 -5.344 196 2HB ARG 24 1HB ARG 24 -13.376 2.190 -5.319 197 1HG ARG 24 2HG ARG 24 -13.260 0.857 -3.285 198 2HG ARG 24 1HG ARG 24 -11.498 0.894 -3.328 199 1HD ARG 24 2HD ARG 24 -11.931 2.645 -1.838 200 2HD ARG 24 1HD ARG 24 -11.907 3.534 -3.375 201 HE ARG 24 HE ARG 24 -14.491 2.841 -3.329 202 1HH1 ARG 24 1HH2 ARG 24 -14.142 2.156 -0.378 203 2HH1 ARG 24 2HH2 ARG 24 -14.671 3.625 0.371 204 1HH2 ARG 24 1HH1 ARG 24 -14.454 5.498 -2.539 205 2HH2 ARG 24 2HH1 ARG 24 -14.848 5.517 -0.852 206 HA PRO 25 HA PRO 25 -12.956 2.174 -9.616 207 1HB PRO 25 2HB PRO 25 -10.510 2.267 -10.875 208 2HB PRO 25 1HB PRO 25 -11.143 3.572 -9.849 209 1HG PRO 25 2HG PRO 25 -9.253 1.363 -9.139 210 2HG PRO 25 1HG PRO 25 -9.141 3.097 -8.774 211 1HD PRO 25 2HD PRO 25 -9.971 1.407 -6.922 212 2HD PRO 25 1HD PRO 25 -10.772 2.982 -7.100 213 H LYS 26 H LYS 26 -10.820 -0.535 -8.961 214 HA LYS 26 HA LYS 26 -11.106 -1.899 -11.501 215 1HB LYS 26 2HB LYS 26 -9.425 -2.242 -9.571 216 2HB LYS 26 1HB LYS 26 -10.727 -3.120 -8.760 217 1HG LYS 26 2HG LYS 26 -9.956 -3.823 -11.584 218 2HG LYS 26 1HG LYS 26 -9.035 -4.469 -10.225 219 1HD LYS 26 2HD LYS 26 -11.349 -5.147 -9.260 220 2HD LYS 26 1HD LYS 26 -11.938 -4.906 -10.905 221 1HE LYS 26 2HE LYS 26 -9.503 -6.617 -10.385 222 2HE LYS 26 1HE LYS 26 -11.141 -7.294 -10.276 223 1HZ LYS 26 1HZ LYS 26 -10.061 -5.771 -12.590 224 2HZ LYS 26 2HZ LYS 26 -11.621 -6.437 -12.475 225 3HZ LYS 26 3HZ LYS 26 -10.262 -7.454 -12.539 226 H ILE 27 H ILE 27 -12.764 -2.080 -8.373 227 HA ILE 27 HA ILE 27 -14.615 -4.171 -8.939 228 HB ILE 27 HB ILE 27 -14.866 -1.691 -7.191 229 1HG1 ILE 27 2HG1 ILE 27 -12.849 -2.994 -6.654 230 2HG1 ILE 27 1HG1 ILE 27 -14.043 -3.161 -5.375 231 1HG2 ILE 27 1HG2 ILE 27 -16.396 -3.167 -5.839 232 2HG2 ILE 27 2HG2 ILE 27 -16.352 -4.329 -7.165 233 3HG2 ILE 27 3HG2 ILE 27 -17.030 -2.722 -7.423 234 1HD1 ILE 27 1HD1 ILE 27 -13.325 -5.160 -7.520 235 2HD1 ILE 27 2HD1 ILE 27 -14.808 -5.288 -6.576 236 3HD1 ILE 27 3HD1 ILE 27 -13.241 -5.361 -5.769 237 H LYS 28 H LYS 28 -14.654 -0.728 -9.709 238 HA LYS 28 HA LYS 28 -17.466 -0.600 -10.362 239 1HB LYS 28 2HB LYS 28 -15.384 1.257 -11.509 240 2HB LYS 28 1HB LYS 28 -17.017 1.627 -10.976 241 1HG LYS 28 2HG LYS 28 -14.531 1.254 -9.349 242 2HG LYS 28 1HG LYS 28 -15.658 2.588 -9.317 243 1HD LYS 28 2HD LYS 28 -16.069 -0.187 -8.148 244 2HD LYS 28 1HD LYS 28 -15.907 1.328 -7.272 245 1HE LYS 28 2HE LYS 28 -18.133 0.936 -9.290 246 2HE LYS 28 1HE LYS 28 -18.313 0.453 -7.594 247 1HZ LYS 28 1HZ LYS 28 -19.003 2.749 -7.898 248 2HZ LYS 28 2HZ LYS 28 -17.486 3.141 -8.554 249 3HZ LYS 28 3HZ LYS 28 -17.615 2.673 -6.927 250 H SER 29 H SER 29 -14.536 -1.138 -12.308 251 HA SER 29 HA SER 29 -15.648 -0.950 -14.907 252 1HB SER 29 2HB SER 29 -13.233 -1.226 -14.197 253 2HB SER 29 1HB SER 29 -13.571 -2.934 -13.932 254 HG SER 29 HG SER 29 -13.713 -3.240 -16.037 255 H GLU 30 H GLU 30 -15.956 -3.490 -12.504 256 HA GLU 30 HA GLU 30 -17.461 -5.178 -14.477 257 1HB GLU 30 2HB GLU 30 -15.451 -5.653 -12.393 258 2HB GLU 30 1HB GLU 30 -16.848 -6.713 -12.232 259 1HG GLU 30 2HG GLU 30 -15.470 -6.305 -14.887 260 2HG GLU 30 1HG GLU 30 -14.932 -7.535 -13.744 261 H HIS 31 H HIS 31 -17.607 -3.513 -11.408 262 HA HIS 31 HA HIS 31 -20.424 -4.494 -11.036 263 1HB HIS 31 2HB HIS 31 -18.549 -3.476 -8.877 264 2HB HIS 31 1HB HIS 31 -20.068 -4.334 -8.658 265 HD1 HIS 31 1HD HIS 31 -16.454 -4.863 -9.359 266 HD2 HIS 31 2HD HIS 31 -19.926 -7.168 -9.231 267 HE1 HIS 31 1HE HIS 31 -15.706 -7.279 -9.358 268 HA PRO 32 HA PRO 32 -20.723 0.005 -11.755 269 1HB PRO 32 2HB PRO 32 -23.220 -0.060 -12.872 270 2HB PRO 32 1HB PRO 32 -21.738 -0.358 -13.796 271 1HG PRO 32 2HG PRO 32 -23.736 -2.284 -12.762 272 2HG PRO 32 1HG PRO 32 -22.773 -2.339 -14.245 273 1HD PRO 32 2HD PRO 32 -22.229 -3.784 -11.962 274 2HD PRO 32 1HD PRO 32 -21.042 -3.393 -13.224 275 H GLY 33 H GLY 33 -23.294 -2.147 -10.554 276 1HA GLY 33 2HA GLY 33 -24.681 -0.113 -9.055 277 2HA GLY 33 1HA GLY 33 -24.871 -1.852 -8.846 278 H LEU 34 H LEU 34 -21.803 -1.953 -8.451 279 HA LEU 34 HA LEU 34 -21.709 -2.131 -5.634 280 1HB LEU 34 2HB LEU 34 -19.951 -2.309 -7.917 281 2HB LEU 34 1HB LEU 34 -19.126 -1.440 -6.631 282 HG LEU 34 HG LEU 34 -18.772 -3.915 -6.543 283 1HD1 LEU 34 1HD1 LEU 34 -19.901 -2.263 -4.359 284 2HD1 LEU 34 2HD1 LEU 34 -18.360 -3.115 -4.453 285 3HD1 LEU 34 3HD1 LEU 34 -19.834 -3.999 -4.055 286 1HD2 LEU 34 1HD2 LEU 34 -20.488 -5.427 -6.385 287 2HD2 LEU 34 2HD2 LEU 34 -21.401 -4.147 -7.181 288 3HD2 LEU 34 3HD2 LEU 34 -21.495 -4.338 -5.431 289 H SER 35 H SER 35 -22.756 -0.123 -4.868 290 HA SER 35 HA SER 35 -21.577 2.492 -5.339 291 1HB SER 35 2HB SER 35 -23.148 3.120 -3.498 292 2HB SER 35 1HB SER 35 -23.932 2.146 -4.738 293 HG SER 35 HG SER 35 -24.481 1.095 -2.946 294 H ILE 36 H ILE 36 -20.875 3.785 -3.238 295 HA ILE 36 HA ILE 36 -18.411 2.766 -2.274 296 HB ILE 36 HB ILE 36 -20.330 4.803 -1.091 297 1HG1 ILE 36 2HG1 ILE 36 -19.620 5.307 -3.404 298 2HG1 ILE 36 1HG1 ILE 36 -18.896 6.442 -2.269 299 1HG2 ILE 36 1HG2 ILE 36 -18.773 4.237 0.634 300 2HG2 ILE 36 2HG2 ILE 36 -18.169 5.729 -0.087 301 3HG2 ILE 36 3HG2 ILE 36 -17.424 4.185 -0.502 302 1HD1 ILE 36 1HD1 ILE 36 -16.839 4.958 -2.248 303 2HD1 ILE 36 2HD1 ILE 36 -17.157 5.757 -3.788 304 3HD1 ILE 36 3HD1 ILE 36 -17.565 4.054 -3.578 305 H GLY 37 H GLY 37 -21.685 2.434 -0.976 306 1HA GLY 37 2HA GLY 37 -21.052 1.472 1.622 307 2HA GLY 37 1HA GLY 37 -22.524 1.066 0.738 308 H ASP 38 H ASP 38 -22.045 -0.544 -1.168 309 HA ASP 38 HA ASP 38 -21.031 -2.992 -0.019 310 1HB ASP 38 2HB ASP 38 -22.162 -2.005 -2.589 311 2HB ASP 38 1HB ASP 38 -21.226 -3.498 -2.674 312 H THR 39 H THR 39 -19.675 -0.613 -2.281 313 HA THR 39 HA THR 39 -17.350 -2.103 -3.072 314 HB THR 39 HB THR 39 -17.845 0.882 -2.813 315 HG1 THR 39 1HG THR 39 -18.740 0.714 -4.735 316 1HG2 THR 39 1HG2 THR 39 -15.702 -0.711 -4.241 317 2HG2 THR 39 2HG2 THR 39 -15.478 0.547 -3.026 318 3HG2 THR 39 3HG2 THR 39 -16.067 0.970 -4.634 319 H ALA 40 H ALA 40 -18.089 -0.164 -0.228 320 HA ALA 40 HA ALA 40 -15.340 0.004 0.730 321 1HB ALA 40 1HB ALA 40 -18.049 0.352 2.059 322 2HB ALA 40 2HB ALA 40 -17.075 1.630 1.333 323 3HB ALA 40 3HB ALA 40 -16.511 0.811 2.789 324 H LYS 41 H LYS 41 -18.177 -2.008 1.545 325 HA LYS 41 HA LYS 41 -16.596 -3.634 3.408 326 1HB LYS 41 2HB LYS 41 -18.744 -4.706 3.850 327 2HB LYS 41 1HB LYS 41 -18.947 -2.958 3.824 328 1HG LYS 41 2HG LYS 41 -19.599 -3.243 1.351 329 2HG LYS 41 1HG LYS 41 -19.729 -4.963 1.704 330 1HD LYS 41 2HD LYS 41 -21.924 -3.988 1.982 331 2HD LYS 41 1HD LYS 41 -21.302 -4.387 3.582 332 1HE LYS 41 2HE LYS 41 -20.374 -1.779 3.154 333 2HE LYS 41 1HE LYS 41 -22.021 -1.771 2.493 334 1HZ LYS 41 1HZ LYS 41 -22.073 -1.374 4.873 335 2HZ LYS 41 2HZ LYS 41 -21.217 -2.814 5.159 336 3HZ LYS 41 3HZ LYS 41 -22.789 -2.869 4.517 337 H LYS 42 H LYS 42 -17.206 -3.767 -0.003 338 HA LYS 42 HA LYS 42 -17.021 -6.709 -0.160 339 1HB LYS 42 2HB LYS 42 -18.451 -5.271 -1.644 340 2HB LYS 42 1HB LYS 42 -16.982 -4.547 -2.293 341 1HG LYS 42 2HG LYS 42 -17.854 -6.349 -3.756 342 2HG LYS 42 1HG LYS 42 -16.252 -6.738 -3.136 343 1HD LYS 42 2HD LYS 42 -17.025 -8.468 -1.846 344 2HD LYS 42 1HD LYS 42 -18.539 -7.644 -1.471 345 1HE LYS 42 2HE LYS 42 -19.611 -8.474 -3.339 346 2HE LYS 42 1HE LYS 42 -18.122 -8.507 -4.304 347 1HZ LYS 42 1HZ LYS 42 -17.310 -10.300 -2.849 348 2HZ LYS 42 2HZ LYS 42 -18.714 -10.747 -3.696 349 3HZ LYS 42 3HZ LYS 42 -18.808 -10.323 -2.054 350 H LEU 43 H LEU 43 -14.767 -4.444 0.568 351 HA LEU 43 HA LEU 43 -12.639 -5.504 -1.231 352 1HB LEU 43 2HB LEU 43 -13.164 -3.050 0.364 353 2HB LEU 43 1HB LEU 43 -11.478 -3.552 0.248 354 HG LEU 43 HG LEU 43 -13.249 -3.359 -2.190 355 1HD1 LEU 43 1HD1 LEU 43 -11.451 -1.206 -1.030 356 2HD1 LEU 43 2HD1 LEU 43 -13.214 -1.155 -1.060 357 3HD1 LEU 43 3HD1 LEU 43 -12.305 -1.118 -2.571 358 1HD2 LEU 43 1HD2 LEU 43 -10.945 -3.005 -3.230 359 2HD2 LEU 43 2HD2 LEU 43 -11.237 -4.610 -2.562 360 3HD2 LEU 43 3HD2 LEU 43 -10.268 -3.443 -1.662 361 H GLY 44 H GLY 44 -13.746 -5.436 2.107 362 1HA GLY 44 2HA GLY 44 -11.316 -6.420 3.314 363 2HA GLY 44 1HA GLY 44 -12.923 -6.481 4.042 364 H GLU 45 H GLU 45 -14.024 -7.919 1.659 365 HA GLU 45 HA GLU 45 -13.794 -10.609 2.542 366 1HB GLU 45 2HB GLU 45 -15.394 -9.277 0.864 367 2HB GLU 45 1HB GLU 45 -14.306 -9.969 -0.339 368 1HG GLU 45 2HG GLU 45 -14.794 -12.203 0.369 369 2HG GLU 45 1HG GLU 45 -15.627 -11.632 1.816 370 H MET 46 H MET 46 -12.287 -9.099 -0.343 371 HA MET 46 HA MET 46 -10.578 -11.353 -0.936 372 1HB MET 46 2HB MET 46 -10.556 -8.408 -1.670 373 2HB MET 46 1HB MET 46 -9.449 -9.586 -2.378 374 1HG MET 46 2HG MET 46 -11.427 -10.928 -3.118 375 2HG MET 46 1HG MET 46 -12.475 -9.641 -2.526 376 1HE MET 46 1HE MET 46 -13.055 -10.444 -5.083 377 2HE MET 46 2HE MET 46 -11.513 -10.999 -5.728 378 3HE MET 46 3HE MET 46 -12.353 -9.659 -6.505 379 H TRP 47 H TRP 47 -9.901 -8.146 0.516 380 HA TRP 47 HA TRP 47 -7.183 -8.442 1.146 381 1HB TRP 47 2HB TRP 47 -8.681 -6.435 1.430 382 2HB TRP 47 1HB TRP 47 -9.317 -7.184 2.895 383 HD1 TRP 47 HD TRP 47 -8.174 -6.344 4.989 384 HE1 TRP 47 1HE TRP 47 -5.817 -5.506 5.609 385 HE3 TRP 47 3HE TRP 47 -5.858 -6.800 0.461 386 HZ2 TRP 47 2HZ TRP 47 -3.282 -5.084 4.349 387 HZ3 TRP 47 3HZ TRP 47 -3.473 -6.175 0.200 388 HH2 TRP 47 HH TRP 47 -2.185 -5.317 2.135 389 H SER 48 H SER 48 -9.874 -9.150 3.423 390 HA SER 48 HA SER 48 -8.296 -10.365 5.455 391 1HB SER 48 2HB SER 48 -10.668 -9.583 5.611 392 2HB SER 48 1HB SER 48 -11.157 -10.961 4.628 393 HG SER 48 HG SER 48 -11.376 -11.596 6.723 394 H GLU 49 H GLU 49 -9.737 -11.725 2.516 395 HA GLU 49 HA GLU 49 -9.377 -14.503 3.090 396 1HB GLU 49 2HB GLU 49 -9.856 -12.730 0.776 397 2HB GLU 49 1HB GLU 49 -9.061 -14.249 0.364 398 1HG GLU 49 2HG GLU 49 -10.838 -15.490 1.570 399 2HG GLU 49 1HG GLU 49 -11.648 -13.962 1.920 400 H GLN 50 H GLN 50 -7.209 -12.103 1.600 401 HA GLN 50 HA GLN 50 -5.070 -13.841 0.862 402 1HB GLN 50 2HB GLN 50 -5.175 -10.945 1.758 403 2HB GLN 50 1HB GLN 50 -3.745 -11.693 1.046 404 1HG GLN 50 2HG GLN 50 -6.405 -11.847 -0.357 405 2HG GLN 50 1HG GLN 50 -5.385 -10.418 -0.527 406 1HE2 GLN 50 1HE2 GLN 50 -4.776 -10.820 -2.743 407 2HE2 GLN 50 2HE2 GLN 50 -3.810 -12.140 -3.193 408 H SER 51 H SER 51 -3.064 -14.253 1.969 409 HA SER 51 HA SER 51 -3.335 -14.324 4.949 410 1HB SER 51 2HB SER 51 -1.495 -15.872 3.097 411 2HB SER 51 1HB SER 51 -1.825 -16.223 4.791 412 HG SER 51 HG SER 51 -3.403 -16.619 2.518 413 H ALA 52 H ALA 52 -0.440 -14.811 5.244 414 HA ALA 52 HA ALA 52 0.468 -12.025 5.286 415 1HB ALA 52 1HB ALA 52 1.729 -14.694 5.996 416 2HB ALA 52 2HB ALA 52 0.974 -13.555 7.111 417 3HB ALA 52 3HB ALA 52 2.489 -13.134 6.312 418 H LYS 53 H LYS 53 0.075 -12.361 2.662 419 HA LYS 53 HA LYS 53 2.827 -12.689 1.540 420 1HB LYS 53 2HB LYS 53 0.873 -14.596 1.331 421 2HB LYS 53 1HB LYS 53 0.563 -13.639 -0.117 422 1HG LYS 53 2HG LYS 53 2.827 -13.935 -0.891 423 2HG LYS 53 1HG LYS 53 3.306 -14.679 0.636 424 1HD LYS 53 2HD LYS 53 1.484 -16.441 0.129 425 2HD LYS 53 1HD LYS 53 1.516 -15.807 -1.517 426 1HE LYS 53 2HE LYS 53 3.108 -17.548 -1.611 427 2HE LYS 53 1HE LYS 53 4.126 -16.129 -1.291 428 1HZ LYS 53 1HZ LYS 53 4.594 -17.918 0.284 429 2HZ LYS 53 2HZ LYS 53 2.967 -17.925 0.777 430 3HZ LYS 53 3HZ LYS 53 3.943 -16.566 1.075 431 H ASP 54 H ASP 54 -0.532 -11.768 0.691 432 HA ASP 54 HA ASP 54 0.138 -9.988 -1.444 433 1HB ASP 54 2HB ASP 54 -2.102 -11.050 -0.727 434 2HB ASP 54 1HB ASP 54 -2.228 -9.714 0.418 435 H LYS 55 H LYS 55 0.165 -9.552 2.041 436 HA LYS 55 HA LYS 55 0.220 -6.622 1.930 437 1HB LYS 55 2HB LYS 55 0.404 -8.800 3.973 438 2HB LYS 55 1HB LYS 55 0.982 -7.197 4.419 439 1HG LYS 55 2HG LYS 55 -1.230 -6.280 3.589 440 2HG LYS 55 1HG LYS 55 -1.789 -7.949 3.462 441 1HD LYS 55 2HD LYS 55 -2.505 -7.279 5.612 442 2HD LYS 55 1HD LYS 55 -1.019 -8.180 5.924 443 1HE LYS 55 2HE LYS 55 0.134 -5.821 5.675 444 2HE LYS 55 1HE LYS 55 -1.490 -5.214 6.058 445 1HZ LYS 55 1HZ LYS 55 -0.084 -7.316 7.617 446 2HZ LYS 55 2HZ LYS 55 -1.562 -6.573 8.006 447 3HZ LYS 55 3HZ LYS 55 -0.118 -5.678 8.057 448 H GLN 56 H GLN 56 2.588 -9.249 2.228 449 HA GLN 56 HA GLN 56 4.907 -8.008 3.082 450 1HB GLN 56 2HB GLN 56 4.171 -10.185 1.229 451 2HB GLN 56 1HB GLN 56 5.805 -9.561 1.004 452 1HG GLN 56 2HG GLN 56 4.702 -10.347 3.712 453 2HG GLN 56 1HG GLN 56 5.597 -11.463 2.679 454 1HE2 GLN 56 1HE2 GLN 56 7.877 -11.294 2.670 455 2HE2 GLN 56 2HE2 GLN 56 8.739 -10.090 3.499 456 HA PRO 57 HA PRO 57 5.905 -6.169 -1.187 457 1HB PRO 57 2HB PRO 57 4.089 -6.321 -3.207 458 2HB PRO 57 1HB PRO 57 5.280 -7.598 -2.891 459 1HG PRO 57 2HG PRO 57 2.398 -7.497 -2.236 460 2HG PRO 57 1HG PRO 57 3.398 -8.878 -2.705 461 1HD PRO 57 2HD PRO 57 2.595 -8.295 -0.124 462 2HD PRO 57 1HD PRO 57 3.979 -9.322 -0.556 463 H TYR 58 H TYR 58 2.413 -6.003 -0.509 464 HA TYR 58 HA TYR 58 2.208 -3.193 -1.312 465 1HB TYR 58 2HB TYR 58 0.523 -5.426 -0.921 466 2HB TYR 58 1HB TYR 58 0.001 -4.233 0.266 467 HD1 TYR 58 1HD TYR 58 -1.720 -2.852 -0.460 468 HD2 TYR 58 2HD TYR 58 1.231 -4.174 -3.286 469 HE1 TYR 58 1HE TYR 58 -2.862 -1.572 -2.251 470 HE2 TYR 58 2HE TYR 58 0.089 -2.894 -5.077 471 HH TYR 58 HH TYR 58 -1.684 -0.573 -4.831 472 H GLU 59 H GLU 59 3.625 -4.468 1.399 473 HA GLU 59 HA GLU 59 2.436 -2.490 3.286 474 1HB GLU 59 2HB GLU 59 3.648 -3.806 4.979 475 2HB GLU 59 1HB GLU 59 2.687 -4.866 3.957 476 1HG GLU 59 2HG GLU 59 4.549 -6.034 3.455 477 2HG GLU 59 1HG GLU 59 5.217 -4.595 2.686 478 H GLN 60 H GLN 60 5.309 -3.087 1.386 479 HA GLN 60 HA GLN 60 7.055 -1.287 2.880 480 1HB GLN 60 2HB GLN 60 8.565 -1.720 0.982 481 2HB GLN 60 1HB GLN 60 7.826 -3.223 1.523 482 1HG GLN 60 2HG GLN 60 6.003 -2.442 -0.337 483 2HG GLN 60 1HG GLN 60 7.468 -1.747 -1.027 484 1HE2 GLN 60 1HE2 GLN 60 8.084 -3.220 -2.638 485 2HE2 GLN 60 2HE2 GLN 60 8.271 -4.889 -2.390 486 H LYS 61 H LYS 61 4.745 -0.977 0.261 487 HA LYS 61 HA LYS 61 5.606 1.464 -0.933 488 1HB LYS 61 2HB LYS 61 3.857 -0.058 -1.802 489 2HB LYS 61 1HB LYS 61 2.815 0.363 -0.444 490 1HG LYS 61 2HG LYS 61 2.498 2.569 -1.213 491 2HG LYS 61 1HG LYS 61 3.910 2.500 -2.269 492 1HD LYS 61 2HD LYS 61 2.709 0.717 -3.602 493 2HD LYS 61 1HD LYS 61 1.271 1.059 -2.640 494 1HE LYS 61 2HE LYS 61 1.385 3.448 -3.369 495 2HE LYS 61 1HE LYS 61 2.756 3.030 -4.415 496 1HZ LYS 61 1HZ LYS 61 0.647 2.876 -5.617 497 2HZ LYS 61 2HZ LYS 61 0.078 1.739 -4.490 498 3HZ LYS 61 3HZ LYS 61 1.395 1.360 -5.494 499 H ALA 62 H ALA 62 3.495 0.882 1.893 500 HA ALA 62 HA ALA 62 2.914 3.671 2.391 501 1HB ALA 62 1HB ALA 62 2.345 2.621 4.700 502 2HB ALA 62 2HB ALA 62 2.773 1.087 3.944 503 3HB ALA 62 3HB ALA 62 1.447 2.050 3.294 504 H ALA 63 H ALA 63 5.785 1.834 2.837 505 HA ALA 63 HA ALA 63 6.757 3.338 5.173 506 1HB ALA 63 1HB ALA 63 7.233 0.911 4.625 507 2HB ALA 63 2HB ALA 63 8.674 1.883 4.925 508 3HB ALA 63 3HB ALA 63 8.212 1.477 3.273 509 H LYS 64 H LYS 64 6.302 4.249 2.031 510 HA LYS 64 HA LYS 64 8.886 5.737 1.806 511 1HB LYS 64 2HB LYS 64 6.707 4.863 -0.102 512 2HB LYS 64 1HB LYS 64 7.897 6.075 -0.568 513 1HG LYS 64 2HG LYS 64 8.600 3.320 0.481 514 2HG LYS 64 1HG LYS 64 8.539 3.738 -1.232 515 1HD LYS 64 2HD LYS 64 10.184 5.622 -0.681 516 2HD LYS 64 1HD LYS 64 10.405 4.833 0.880 517 1HE LYS 64 2HE LYS 64 11.434 2.958 -0.061 518 2HE LYS 64 1HE LYS 64 10.660 3.204 -1.640 519 1HZ LYS 64 1HZ LYS 64 11.937 5.249 -1.899 520 2HZ LYS 64 2HZ LYS 64 12.971 3.915 -1.706 521 3HZ LYS 64 3HZ LYS 64 12.704 4.981 -0.411 522 H LEU 65 H LEU 65 5.377 6.047 1.918 523 HA LEU 65 HA LEU 65 5.406 8.970 1.612 524 1HB LEU 65 2HB LEU 65 3.436 6.750 1.980 525 2HB LEU 65 1HB LEU 65 2.917 8.380 2.407 526 HG LEU 65 HG LEU 65 3.797 9.108 0.119 527 1HD1 LEU 65 1HD1 LEU 65 3.927 7.280 -1.569 528 2HD1 LEU 65 2HD1 LEU 65 3.769 6.099 -0.268 529 3HD1 LEU 65 3HD1 LEU 65 5.187 7.145 -0.341 530 1HD2 LEU 65 1HD2 LEU 65 1.715 8.676 -0.879 531 2HD2 LEU 65 2HD2 LEU 65 1.350 8.518 0.838 532 3HD2 LEU 65 3HD2 LEU 65 1.590 7.076 -0.149 533 H LYS 66 H LYS 66 6.210 6.913 4.156 534 HA LYS 66 HA LYS 66 4.962 8.443 6.331 535 1HB LYS 66 2HB LYS 66 5.380 6.002 6.436 536 2HB LYS 66 1HB LYS 66 7.110 6.294 6.263 537 1HG LYS 66 2HG LYS 66 6.994 6.183 8.562 538 2HG LYS 66 1HG LYS 66 6.658 7.902 8.353 539 1HD LYS 66 2HD LYS 66 4.297 7.560 8.561 540 2HD LYS 66 1HD LYS 66 4.473 5.809 8.432 541 1HE LYS 66 2HE LYS 66 5.865 5.907 10.570 542 2HE LYS 66 1HE LYS 66 5.313 7.585 10.741 543 1HZ LYS 66 1HZ LYS 66 3.786 6.084 11.856 544 2HZ LYS 66 2HZ LYS 66 3.568 5.199 10.422 545 3HZ LYS 66 3HZ LYS 66 3.025 6.806 10.523 546 H GLU 67 H GLU 67 8.085 8.200 4.680 547 HA GLU 67 HA GLU 67 9.594 9.836 6.527 548 1HB GLU 67 2HB GLU 67 9.823 8.815 3.722 549 2HB GLU 67 1HB GLU 67 10.905 10.121 4.208 550 1HG GLU 67 2HG GLU 67 11.646 8.780 6.148 551 2HG GLU 67 1HG GLU 67 10.581 7.468 5.643 552 H LYS 68 H LYS 68 8.380 10.629 3.249 553 HA LYS 68 HA LYS 68 8.751 13.435 3.406 554 1HB LYS 68 2HB LYS 68 6.883 11.626 1.863 555 2HB LYS 68 1HB LYS 68 6.943 13.365 1.575 556 1HG LYS 68 2HG LYS 68 9.442 13.125 1.238 557 2HG LYS 68 1HG LYS 68 9.206 11.377 1.271 558 1HD LYS 68 2HD LYS 68 7.723 11.483 -0.647 559 2HD LYS 68 1HD LYS 68 7.768 13.246 -0.631 560 1HE LYS 68 2HE LYS 68 10.357 12.948 -0.875 561 2HE LYS 68 1HE LYS 68 9.939 11.317 -1.435 562 1HZ LYS 68 1HZ LYS 68 8.368 12.305 -2.997 563 2HZ LYS 68 2HZ LYS 68 9.943 12.872 -3.285 564 3HZ LYS 68 3HZ LYS 68 8.813 13.859 -2.488 565 H TYR 69 H TYR 69 6.311 11.452 4.928 566 HA TYR 69 HA TYR 69 4.321 13.582 5.196 567 1HB TYR 69 2HB TYR 69 3.632 11.260 5.144 568 2HB TYR 69 1HB TYR 69 4.739 10.846 6.448 569 HD1 TYR 69 1HD TYR 69 2.436 13.800 6.203 570 HD2 TYR 69 2HD TYR 69 3.307 10.078 8.166 571 HE1 TYR 69 1HE TYR 69 0.660 14.261 7.869 572 HE2 TYR 69 2HE TYR 69 1.533 10.543 9.832 573 HH TYR 69 HH TYR 69 0.356 13.289 10.544 574 H GLU 70 H GLU 70 6.329 11.833 7.598 575 HA GLU 70 HA GLU 70 5.939 13.887 9.632 576 1HB GLU 70 2HB GLU 70 7.392 11.303 9.282 577 2HB GLU 70 1HB GLU 70 7.927 12.362 10.588 578 1HG GLU 70 2HG GLU 70 5.495 12.515 11.309 579 2HG GLU 70 1HG GLU 70 5.158 11.218 10.161 580 H LYS 71 H LYS 71 7.899 13.911 6.890 581 HA LYS 71 HA LYS 71 10.047 15.487 8.265 582 1HB LYS 71 2HB LYS 71 10.588 13.364 6.999 583 2HB LYS 71 1HB LYS 71 10.057 14.183 5.530 584 1HG LYS 71 2HG LYS 71 11.739 16.060 6.437 585 2HG LYS 71 1HG LYS 71 12.493 14.652 7.187 586 1HD LYS 71 2HD LYS 71 11.731 14.652 4.267 587 2HD LYS 71 1HD LYS 71 13.282 15.292 4.811 588 1HE LYS 71 2HE LYS 71 13.704 13.091 5.975 589 2HE LYS 71 1HE LYS 71 12.238 12.466 5.192 590 1HZ LYS 71 1HZ LYS 71 13.167 13.187 3.048 591 2HZ LYS 71 2HZ LYS 71 14.135 12.009 3.799 592 3HZ LYS 71 3HZ LYS 71 14.602 13.643 3.828 593 H ASP 72 H ASP 72 7.828 15.485 5.470 594 HA ASP 72 HA ASP 72 8.708 18.162 4.612 595 1HB ASP 72 2HB ASP 72 7.920 16.093 3.229 596 2HB ASP 72 1HB ASP 72 6.295 16.653 3.629 597 H ILE 73 H ILE 73 5.984 16.744 6.382 598 HA ILE 73 HA ILE 73 4.226 19.006 6.235 599 HB ILE 73 HB ILE 73 3.767 16.582 6.907 600 1HG1 ILE 73 2HG1 ILE 73 2.160 17.461 8.836 601 2HG1 ILE 73 1HG1 ILE 73 2.709 19.033 8.248 602 1HG2 ILE 73 1HG2 ILE 73 4.481 17.507 9.690 603 2HG2 ILE 73 2HG2 ILE 73 5.641 16.642 8.682 604 3HG2 ILE 73 3HG2 ILE 73 4.122 15.871 9.136 605 1HD1 ILE 73 1HD1 ILE 73 0.639 18.221 7.092 606 2HD1 ILE 73 2HD1 ILE 73 1.568 16.856 6.473 607 3HD1 ILE 73 3HD1 ILE 73 1.986 18.500 5.989 608 H ALA 74 H ALA 74 7.149 18.536 8.036 609 HA ALA 74 HA ALA 74 6.594 20.256 10.289 610 1HB ALA 74 1HB ALA 74 9.180 19.504 8.880 611 2HB ALA 74 2HB ALA 74 8.420 18.598 10.189 612 3HB ALA 74 3HB ALA 74 9.073 20.208 10.493 613 H ALA 75 H ALA 75 8.263 20.818 7.177 614 HA ALA 75 HA ALA 75 8.402 23.726 7.678 615 1HB ALA 75 1HB ALA 75 9.242 21.892 5.411 616 2HB ALA 75 2HB ALA 75 10.284 22.581 6.657 617 3HB ALA 75 3HB ALA 75 9.560 23.627 5.436 618 H TYR 76 H TYR 76 6.419 21.428 5.921 619 HA TYR 76 HA TYR 76 5.255 23.151 3.962 620 1HB TYR 76 2HB TYR 76 5.121 20.640 4.132 621 2HB TYR 76 1HB TYR 76 3.978 20.840 5.463 622 HD1 TYR 76 1HD TYR 76 1.750 21.831 5.075 623 HD2 TYR 76 2HD TYR 76 4.493 21.135 1.844 624 HE1 TYR 76 1HE TYR 76 -0.094 22.132 3.444 625 HE2 TYR 76 2HE TYR 76 2.650 21.434 0.213 626 HH TYR 76 HH TYR 76 -0.663 21.585 1.186 627 H ARG 77 H ARG 77 4.562 22.681 7.395 628 HA ARG 77 HA ARG 77 2.025 24.082 7.426 629 1HB ARG 77 2HB ARG 77 4.076 23.114 9.388 630 2HB ARG 77 1HB ARG 77 2.838 24.236 9.956 631 1HG ARG 77 2HG ARG 77 1.093 22.717 9.003 632 2HG ARG 77 1HG ARG 77 2.367 21.567 8.596 633 1HD ARG 77 2HD ARG 77 2.847 21.105 10.861 634 2HD ARG 77 1HD ARG 77 2.067 22.599 11.422 635 HE ARG 77 HE ARG 77 0.364 20.612 10.021 636 1HH1 ARG 77 1HH2 ARG 77 -0.093 23.093 11.990 637 2HH1 ARG 77 2HH2 ARG 77 -0.829 22.241 13.306 638 1HH2 ARG 77 1HH1 ARG 77 0.047 19.106 12.114 639 2HH2 ARG 77 2HH1 ARG 77 -0.750 19.983 13.376 640 H ALA 78 H ALA 78 4.989 25.145 9.111 641 HA ALA 78 HA ALA 78 5.912 27.294 9.409 642 1HB ALA 78 1HB ALA 78 6.226 28.476 7.397 643 2HB ALA 78 2HB ALA 78 4.636 28.029 6.779 644 3HB ALA 78 3HB ALA 78 5.931 26.834 6.828 645 H LYS 79 H LYS 79 4.777 28.251 11.080 646 HA LYS 79 HA LYS 79 2.427 29.944 10.323 647 1HB LYS 79 2HB LYS 79 2.640 27.660 12.166 648 2HB LYS 79 1HB LYS 79 1.882 29.079 12.886 649 1HG LYS 79 2HG LYS 79 0.267 29.187 11.052 650 2HG LYS 79 1HG LYS 79 1.056 27.829 10.250 651 1HD LYS 79 2HD LYS 79 0.607 26.505 12.407 652 2HD LYS 79 1HD LYS 79 -0.486 27.817 12.847 653 1HE LYS 79 2HE LYS 79 -1.396 27.391 10.359 654 2HE LYS 79 1HE LYS 79 -0.773 25.763 10.698 655 1HZ LYS 79 1HZ LYS 79 -1.985 25.726 12.759 656 2HZ LYS 79 2HZ LYS 79 -3.069 26.079 11.498 657 3HZ LYS 79 3HZ LYS 79 -2.526 27.316 12.528 Start of MODEL 8 1 1H MET 1 1HT MET 1 -7.761 10.679 -7.975 2 2H MET 1 2HT MET 1 -6.512 11.240 -6.969 3 3H MET 1 3HT MET 1 -6.595 11.748 -8.588 4 HA MET 1 HA MET 1 -8.675 12.921 -8.138 5 1HB MET 1 2HB MET 1 -9.187 11.168 -6.339 6 2HB MET 1 1HB MET 1 -8.144 12.109 -5.270 7 1HG MET 1 2HG MET 1 -9.567 14.124 -5.778 8 2HG MET 1 1HG MET 1 -10.669 13.059 -6.651 9 1HE MET 1 1HE MET 1 -10.253 13.811 -2.244 10 2HE MET 1 2HE MET 1 -9.731 14.736 -3.649 11 3HE MET 1 3HE MET 1 -8.778 13.357 -3.110 12 H LYS 2 H LYS 2 -7.616 14.832 -8.603 13 HA LYS 2 HA LYS 2 -5.521 15.818 -6.712 14 1HB LYS 2 2HB LYS 2 -6.278 16.405 -9.584 15 2HB LYS 2 1HB LYS 2 -5.106 17.383 -8.701 16 1HG LYS 2 2HG LYS 2 -3.625 15.858 -9.551 17 2HG LYS 2 1HG LYS 2 -4.141 14.914 -8.152 18 1HD LYS 2 2HD LYS 2 -4.389 13.416 -9.961 19 2HD LYS 2 1HD LYS 2 -6.022 14.029 -9.701 20 1HE LYS 2 2HE LYS 2 -4.973 15.891 -11.456 21 2HE LYS 2 1HE LYS 2 -4.245 14.370 -12.012 22 1HZ LYS 2 1HZ LYS 2 -7.129 14.793 -11.432 23 2HZ LYS 2 2HZ LYS 2 -6.425 13.334 -11.944 24 3HZ LYS 2 3HZ LYS 2 -6.447 14.680 -12.980 25 H LYS 3 H LYS 3 -5.766 17.860 -5.732 26 HA LYS 3 HA LYS 3 -7.870 19.717 -6.422 27 1HB LYS 3 2HB LYS 3 -9.100 17.799 -5.357 28 2HB LYS 3 1HB LYS 3 -8.183 18.092 -3.880 29 1HG LYS 3 2HG LYS 3 -9.122 20.301 -3.645 30 2HG LYS 3 1HG LYS 3 -9.877 20.204 -5.236 31 1HD LYS 3 2HD LYS 3 -11.211 18.238 -4.405 32 2HD LYS 3 1HD LYS 3 -10.562 18.547 -2.794 33 1HE LYS 3 2HE LYS 3 -11.635 20.684 -2.663 34 2HE LYS 3 1HE LYS 3 -12.018 20.674 -4.396 35 1HZ LYS 3 1HZ LYS 3 -13.004 18.682 -2.421 36 2HZ LYS 3 2HZ LYS 3 -13.395 18.736 -4.072 37 3HZ LYS 3 3HZ LYS 3 -13.919 19.972 -3.031 38 H LYS 4 H LYS 4 -6.360 18.674 -3.343 39 HA LYS 4 HA LYS 4 -5.780 21.352 -2.480 40 1HB LYS 4 2HB LYS 4 -4.898 18.575 -1.684 41 2HB LYS 4 1HB LYS 4 -4.289 20.004 -0.847 42 1HG LYS 4 2HG LYS 4 -7.248 19.691 -1.256 43 2HG LYS 4 1HG LYS 4 -6.454 18.797 0.042 44 1HD LYS 4 2HD LYS 4 -6.005 21.759 -0.310 45 2HD LYS 4 1HD LYS 4 -7.385 21.148 0.602 46 1HE LYS 4 2HE LYS 4 -5.624 19.709 1.881 47 2HE LYS 4 1HE LYS 4 -4.447 20.864 1.226 48 1HZ LYS 4 1HZ LYS 4 -6.921 21.580 2.711 49 2HZ LYS 4 2HZ LYS 4 -5.790 22.678 2.077 50 3HZ LYS 4 3HZ LYS 4 -5.349 21.636 3.344 51 H ASP 5 H ASP 5 -3.306 18.837 -2.995 52 HA ASP 5 HA ASP 5 -1.790 20.562 -4.854 53 1HB ASP 5 2HB ASP 5 -1.132 20.062 -1.966 54 2HB ASP 5 1HB ASP 5 0.184 20.275 -3.122 55 HA PRO 6 HA PRO 6 -0.866 16.305 -5.969 56 1HB PRO 6 2HB PRO 6 0.724 16.828 -8.131 57 2HB PRO 6 1HB PRO 6 -1.046 16.930 -8.189 58 1HG PRO 6 2HG PRO 6 0.967 19.106 -7.940 59 2HG PRO 6 1HG PRO 6 -0.550 19.069 -8.853 60 1HD PRO 6 2HD PRO 6 -0.269 20.329 -6.451 61 2HD PRO 6 1HD PRO 6 -1.809 19.668 -7.042 62 H ASN 7 H ASN 7 1.642 18.819 -5.782 63 HA ASN 7 HA ASN 7 3.820 16.907 -5.380 64 1HB ASN 7 2HB ASN 7 5.121 18.996 -5.064 65 2HB ASN 7 1HB ASN 7 4.105 19.081 -6.502 66 1HD2 ASN 7 1HD2 ASN 7 4.465 20.287 -3.179 67 2HD2 ASN 7 2HD2 ASN 7 3.342 21.552 -3.334 68 H ALA 8 H ALA 8 1.375 18.080 -3.319 69 HA ALA 8 HA ALA 8 3.103 17.918 -0.894 70 1HB ALA 8 1HB ALA 8 1.558 19.874 -1.409 71 2HB ALA 8 2HB ALA 8 1.306 19.123 0.167 72 3HB ALA 8 3HB ALA 8 0.207 18.766 -1.165 73 HA PRO 9 HA PRO 9 1.290 13.887 -0.241 74 1HB PRO 9 2HB PRO 9 2.250 13.415 2.273 75 2HB PRO 9 1HB PRO 9 3.260 13.294 0.819 76 1HG PRO 9 2HG PRO 9 3.122 15.448 2.850 77 2HG PRO 9 1HG PRO 9 4.503 14.858 1.918 78 1HD PRO 9 2HD PRO 9 3.092 17.171 1.378 79 2HD PRO 9 1HD PRO 9 4.113 16.301 0.215 80 H LYS 10 H LYS 10 -0.931 14.710 -0.122 81 HA LYS 10 HA LYS 10 -1.893 15.540 2.541 82 1HB LYS 10 2HB LYS 10 -3.878 16.260 1.267 83 2HB LYS 10 1HB LYS 10 -2.402 16.892 0.541 84 1HG LYS 10 2HG LYS 10 -2.812 14.366 -0.661 85 2HG LYS 10 1HG LYS 10 -4.396 15.137 -0.624 86 1HD LYS 10 2HD LYS 10 -3.611 17.036 -1.838 87 2HD LYS 10 1HD LYS 10 -1.924 16.573 -1.610 88 1HE LYS 10 2HE LYS 10 -2.616 15.984 -3.891 89 2HE LYS 10 1HE LYS 10 -2.383 14.490 -2.963 90 1HZ LYS 10 1HZ LYS 10 -4.977 15.910 -3.257 91 2HZ LYS 10 2HZ LYS 10 -4.720 14.428 -2.467 92 3HZ LYS 10 3HZ LYS 10 -4.529 14.540 -4.151 93 H ARG 11 H ARG 11 -1.170 12.732 1.914 94 HA ARG 11 HA ARG 11 -3.506 11.425 3.055 95 1HB ARG 11 2HB ARG 11 -4.059 11.851 0.599 96 2HB ARG 11 1HB ARG 11 -2.786 10.694 0.207 97 1HG ARG 11 2HG ARG 11 -4.022 8.903 0.887 98 2HG ARG 11 1HG ARG 11 -4.715 9.776 2.255 99 1HD ARG 11 2HD ARG 11 -5.895 11.108 0.189 100 2HD ARG 11 1HD ARG 11 -5.755 9.481 -0.507 101 HE ARG 11 HE ARG 11 -6.884 8.634 1.578 102 1HH1 ARG 11 1HH2 ARG 11 -8.875 10.239 0.028 103 2HH1 ARG 11 2HH2 ARG 11 -9.514 11.299 1.239 104 1HH2 ARG 11 1HH1 ARG 11 -6.917 10.748 3.470 105 2HH2 ARG 11 2HH1 ARG 11 -8.406 11.587 3.188 106 HA PRO 12 HA PRO 12 0.363 9.116 3.766 107 1HB PRO 12 2HB PRO 12 -0.285 8.219 6.263 108 2HB PRO 12 1HB PRO 12 0.407 9.825 5.962 109 1HG PRO 12 2HG PRO 12 -2.397 9.050 6.529 110 2HG PRO 12 1HG PRO 12 -1.503 10.501 6.999 111 1HD PRO 12 2HD PRO 12 -3.332 10.385 4.943 112 2HD PRO 12 1HD PRO 12 -2.052 11.606 5.095 113 HA PRO 13 HA PRO 13 -1.979 5.411 2.656 114 1HB PRO 13 2HB PRO 13 0.059 4.103 1.393 115 2HB PRO 13 1HB PRO 13 -0.875 5.401 0.627 116 1HG PRO 13 2HG PRO 13 1.864 5.440 1.707 117 2HG PRO 13 1HG PRO 13 1.137 6.420 0.429 118 1HD PRO 13 2HD PRO 13 1.620 7.208 3.087 119 2HD PRO 13 1HD PRO 13 0.658 8.086 1.880 120 H SER 14 H SER 14 -1.687 3.028 3.166 121 HA SER 14 HA SER 14 0.420 2.333 5.116 122 1HB SER 14 2HB SER 14 -1.324 3.579 6.382 123 2HB SER 14 1HB SER 14 -2.527 2.412 5.841 124 HG SER 14 HG SER 14 -1.667 0.913 7.115 125 H ALA 15 H ALA 15 0.143 1.101 2.696 126 HA ALA 15 HA ALA 15 -0.006 -1.030 1.746 127 1HB ALA 15 1HB ALA 15 0.504 -2.596 3.293 128 2HB ALA 15 2HB ALA 15 -1.121 -2.506 3.968 129 3HB ALA 15 3HB ALA 15 0.140 -1.423 4.557 130 H PHE 16 H PHE 16 -2.696 -1.307 4.090 131 HA PHE 16 HA PHE 16 -4.629 -2.368 2.388 132 1HB PHE 16 2HB PHE 16 -4.641 -1.889 4.895 133 2HB PHE 16 1HB PHE 16 -5.163 -0.257 4.480 134 HD1 PHE 16 1HD PHE 16 -6.023 -3.855 3.901 135 HD2 PHE 16 2HD PHE 16 -7.436 0.197 4.094 136 HE1 PHE 16 1HE PHE 16 -8.357 -4.655 3.645 137 HE2 PHE 16 2HE PHE 16 -9.768 -0.603 3.839 138 HZ PHE 16 HZ PHE 16 -10.229 -3.030 3.613 139 H PHE 17 H PHE 17 -4.136 1.123 3.042 140 HA PHE 17 HA PHE 17 -6.150 2.131 1.304 141 1HB PHE 17 2HB PHE 17 -3.959 3.080 2.900 142 2HB PHE 17 1HB PHE 17 -3.845 3.853 1.322 143 HD1 PHE 17 1HD PHE 17 -5.624 3.723 4.464 144 HD2 PHE 17 2HD PHE 17 -5.891 5.039 0.383 145 HE1 PHE 17 1HE PHE 17 -7.477 5.253 5.078 146 HE2 PHE 17 2HE PHE 17 -7.743 6.568 0.998 147 HZ PHE 17 HZ PHE 17 -8.537 6.675 3.345 148 H LEU 18 H LEU 18 -2.749 1.295 0.672 149 HA LEU 18 HA LEU 18 -2.565 2.210 -2.017 150 1HB LEU 18 2HB LEU 18 -1.258 -0.203 -0.708 151 2HB LEU 18 1HB LEU 18 -0.659 0.658 -2.121 152 HG LEU 18 HG LEU 18 -0.905 1.774 0.695 153 1HD1 LEU 18 1HD1 LEU 18 1.507 1.232 -1.056 154 2HD1 LEU 18 2HD1 LEU 18 0.991 0.227 0.298 155 3HD1 LEU 18 3HD1 LEU 18 1.535 1.880 0.584 156 1HD2 LEU 18 1HD2 LEU 18 -0.317 3.048 -1.971 157 2HD2 LEU 18 2HD2 LEU 18 0.459 3.676 -0.517 158 3HD2 LEU 18 3HD2 LEU 18 -1.301 3.662 -0.643 159 H PHE 19 H PHE 19 -3.434 -1.022 -0.747 160 HA PHE 19 HA PHE 19 -3.936 -2.231 -3.311 161 1HB PHE 19 2HB PHE 19 -3.484 -3.401 -1.150 162 2HB PHE 19 1HB PHE 19 -5.064 -2.879 -0.567 163 HD1 PHE 19 1HD PHE 19 -3.282 -5.083 -2.916 164 HD2 PHE 19 2HD PHE 19 -7.128 -3.820 -1.477 165 HE1 PHE 19 1HE PHE 19 -4.339 -7.027 -4.035 166 HE2 PHE 19 2HE PHE 19 -8.184 -5.764 -2.597 167 HZ PHE 19 HZ PHE 19 -6.789 -7.367 -3.876 168 H CYS 20 H CYS 20 -6.181 -0.904 -0.850 169 HA CYS 20 HA CYS 20 -8.583 -1.297 -2.370 170 1HB CYS 20 2HB CYS 20 -7.658 0.279 -0.010 171 2HB CYS 20 1HB CYS 20 -9.182 0.772 -0.746 172 HG CYS 20 HG CYS 20 -8.665 -2.081 0.431 173 H SER 21 H SER 21 -6.194 1.293 -2.301 174 HA SER 21 HA SER 21 -7.688 3.290 -3.723 175 1HB SER 21 2HB SER 21 -4.798 2.662 -3.189 176 2HB SER 21 1HB SER 21 -5.209 3.970 -4.290 177 HG SER 21 HG SER 21 -5.969 3.654 -1.576 178 H GLU 22 H GLU 22 -6.031 0.393 -4.806 179 HA GLU 22 HA GLU 22 -6.228 1.312 -7.643 180 1HB GLU 22 2HB GLU 22 -4.606 -0.524 -8.035 181 2HB GLU 22 1HB GLU 22 -4.029 0.604 -6.812 182 1HG GLU 22 2HG GLU 22 -4.535 -0.895 -5.036 183 2HG GLU 22 1HG GLU 22 -5.538 -1.907 -6.074 184 H TYR 23 H TYR 23 -7.474 -1.116 -5.388 185 HA TYR 23 HA TYR 23 -8.574 -2.812 -7.511 186 1HB TYR 23 2HB TYR 23 -8.144 -2.830 -4.627 187 2HB TYR 23 1HB TYR 23 -9.758 -3.413 -5.027 188 HD1 TYR 23 1HD TYR 23 -10.083 -5.567 -5.958 189 HD2 TYR 23 2HD TYR 23 -6.140 -3.866 -5.826 190 HE1 TYR 23 1HE TYR 23 -9.122 -7.738 -6.676 191 HE2 TYR 23 2HE TYR 23 -5.181 -6.037 -6.544 192 HH TYR 23 HH TYR 23 -6.936 -8.925 -6.507 193 H ARG 24 H ARG 24 -9.799 -0.289 -5.319 194 HA ARG 24 HA ARG 24 -12.555 -0.582 -5.525 195 1HB ARG 24 2HB ARG 24 -10.728 1.811 -5.451 196 2HB ARG 24 1HB ARG 24 -12.483 1.996 -5.451 197 1HG ARG 24 2HG ARG 24 -12.705 0.711 -3.431 198 2HG ARG 24 1HG ARG 24 -11.009 0.235 -3.481 199 1HD ARG 24 2HD ARG 24 -10.270 2.289 -2.707 200 2HD ARG 24 1HD ARG 24 -11.623 3.167 -3.447 201 HE ARG 24 HE ARG 24 -12.968 1.711 -1.629 202 1HH1 ARG 24 1HH2 ARG 24 -11.917 4.587 -1.142 203 2HH1 ARG 24 2HH2 ARG 24 -11.223 4.397 0.434 204 1HH2 ARG 24 1HH1 ARG 24 -11.232 0.931 0.311 205 2HH2 ARG 24 2HH1 ARG 24 -10.835 2.328 1.257 206 HA PRO 25 HA PRO 25 -12.638 1.992 -9.651 207 1HB PRO 25 2HB PRO 25 -10.331 1.893 -11.148 208 2HB PRO 25 1HB PRO 25 -10.725 3.217 -10.031 209 1HG PRO 25 2HG PRO 25 -9.000 0.815 -9.575 210 2HG PRO 25 1HG PRO 25 -8.685 2.516 -9.176 211 1HD PRO 25 2HD PRO 25 -9.492 0.836 -7.298 212 2HD PRO 25 1HD PRO 25 -10.137 2.490 -7.345 213 H LYS 26 H LYS 26 -10.776 -0.952 -9.233 214 HA LYS 26 HA LYS 26 -11.419 -2.191 -11.777 215 1HB LYS 26 2HB LYS 26 -9.626 -2.760 -9.982 216 2HB LYS 26 1HB LYS 26 -10.946 -3.572 -9.133 217 1HG LYS 26 2HG LYS 26 -10.400 -4.159 -12.038 218 2HG LYS 26 1HG LYS 26 -9.492 -4.982 -10.769 219 1HD LYS 26 2HD LYS 26 -11.808 -5.498 -9.728 220 2HD LYS 26 1HD LYS 26 -12.457 -5.071 -11.311 221 1HE LYS 26 2HE LYS 26 -11.118 -6.800 -12.389 222 2HE LYS 26 1HE LYS 26 -10.310 -7.173 -10.854 223 1HZ LYS 26 1HZ LYS 26 -12.437 -7.720 -9.880 224 2HZ LYS 26 2HZ LYS 26 -12.196 -8.663 -11.272 225 3HZ LYS 26 3HZ LYS 26 -13.241 -7.326 -11.321 226 H ILE 27 H ILE 27 -12.785 -2.325 -8.501 227 HA ILE 27 HA ILE 27 -14.898 -4.175 -8.933 228 HB ILE 27 HB ILE 27 -14.782 -1.714 -7.145 229 1HG1 ILE 27 2HG1 ILE 27 -12.834 -3.149 -6.754 230 2HG1 ILE 27 1HG1 ILE 27 -13.953 -3.286 -5.407 231 1HG2 ILE 27 1HG2 ILE 27 -16.308 -3.073 -5.688 232 2HG2 ILE 27 2HG2 ILE 27 -16.436 -4.247 -6.998 233 3HG2 ILE 27 3HG2 ILE 27 -17.029 -2.601 -7.227 234 1HD1 ILE 27 1HD1 ILE 27 -13.380 -5.516 -5.864 235 2HD1 ILE 27 2HD1 ILE 27 -13.416 -5.264 -7.610 236 3HD1 ILE 27 3HD1 ILE 27 -14.923 -5.314 -6.695 237 H LYS 28 H LYS 28 -14.692 -0.688 -9.513 238 HA LYS 28 HA LYS 28 -17.498 -0.283 -10.002 239 1HB LYS 28 2HB LYS 28 -15.357 1.424 -11.258 240 2HB LYS 28 1HB LYS 28 -16.887 1.917 -10.552 241 1HG LYS 28 2HG LYS 28 -14.293 1.270 -9.203 242 2HG LYS 28 1HG LYS 28 -15.294 2.688 -9.011 243 1HD LYS 28 2HD LYS 28 -15.824 -0.087 -7.891 244 2HD LYS 28 1HD LYS 28 -15.436 1.371 -6.991 245 1HE LYS 28 2HE LYS 28 -17.889 1.227 -8.767 246 2HE LYS 28 1HE LYS 28 -17.927 0.742 -7.061 247 1HZ LYS 28 1HZ LYS 28 -16.955 2.888 -6.477 248 2HZ LYS 28 2HZ LYS 28 -18.439 3.092 -7.280 249 3HZ LYS 28 3HZ LYS 28 -16.978 3.358 -8.106 250 H SER 29 H SER 29 -14.756 -0.957 -12.174 251 HA SER 29 HA SER 29 -16.044 -0.590 -14.672 252 1HB SER 29 2HB SER 29 -13.606 -1.013 -14.176 253 2HB SER 29 1HB SER 29 -14.007 -2.710 -13.924 254 HG SER 29 HG SER 29 -13.909 -1.204 -16.258 255 H GLU 30 H GLU 30 -16.350 -3.199 -12.345 256 HA GLU 30 HA GLU 30 -18.043 -4.736 -14.287 257 1HB GLU 30 2HB GLU 30 -15.977 -5.384 -12.305 258 2HB GLU 30 1HB GLU 30 -17.426 -6.369 -12.115 259 1HG GLU 30 2HG GLU 30 -16.183 -5.958 -14.830 260 2HG GLU 30 1HG GLU 30 -15.592 -7.214 -13.743 261 H HIS 31 H HIS 31 -17.976 -3.117 -11.192 262 HA HIS 31 HA HIS 31 -20.812 -3.975 -10.701 263 1HB HIS 31 2HB HIS 31 -18.738 -3.096 -8.662 264 2HB HIS 31 1HB HIS 31 -20.314 -3.801 -8.329 265 HD1 HIS 31 1HD HIS 31 -16.824 -4.678 -9.254 266 HD2 HIS 31 2HD HIS 31 -20.488 -6.637 -8.912 267 HE1 HIS 31 1HE HIS 31 -16.315 -7.156 -9.297 268 HA PRO 32 HA PRO 32 -20.921 0.539 -11.389 269 1HB PRO 32 2HB PRO 32 -23.475 0.608 -12.365 270 2HB PRO 32 1HB PRO 32 -22.064 0.240 -13.368 271 1HG PRO 32 2HG PRO 32 -24.099 -1.588 -12.234 272 2HG PRO 32 1HG PRO 32 -23.219 -1.683 -13.766 273 1HD PRO 32 2HD PRO 32 -22.631 -3.166 -11.519 274 2HD PRO 32 1HD PRO 32 -21.495 -2.831 -12.842 275 H GLY 33 H GLY 33 -23.403 -1.538 -9.945 276 1HA GLY 33 2HA GLY 33 -24.627 0.597 -8.401 277 2HA GLY 33 1HA GLY 33 -24.923 -1.128 -8.201 278 H LEU 34 H LEU 34 -21.803 -1.348 -8.002 279 HA LEU 34 HA LEU 34 -21.583 -1.627 -5.194 280 1HB LEU 34 2HB LEU 34 -19.961 -1.839 -7.564 281 2HB LEU 34 1HB LEU 34 -19.027 -1.011 -6.327 282 HG LEU 34 HG LEU 34 -18.762 -3.499 -6.276 283 1HD1 LEU 34 1HD1 LEU 34 -19.664 -3.557 -3.724 284 2HD1 LEU 34 2HD1 LEU 34 -19.683 -1.818 -4.017 285 3HD1 LEU 34 3HD1 LEU 34 -18.187 -2.730 -4.213 286 1HD2 LEU 34 1HD2 LEU 34 -21.395 -3.871 -4.970 287 2HD2 LEU 34 2HD2 LEU 34 -20.522 -4.940 -6.069 288 3HD2 LEU 34 3HD2 LEU 34 -21.464 -3.593 -6.711 289 H SER 35 H SER 35 -22.518 0.409 -4.349 290 HA SER 35 HA SER 35 -21.191 2.970 -4.787 291 1HB SER 35 2HB SER 35 -23.070 2.047 -2.589 292 2HB SER 35 1HB SER 35 -22.761 3.714 -3.063 293 HG SER 35 HG SER 35 -24.051 3.469 -4.712 294 H ILE 36 H ILE 36 -20.346 4.181 -2.731 295 HA ILE 36 HA ILE 36 -17.987 2.972 -1.748 296 HB ILE 36 HB ILE 36 -19.749 5.147 -0.567 297 1HG1 ILE 36 2HG1 ILE 36 -18.982 5.603 -2.872 298 2HG1 ILE 36 1HG1 ILE 36 -18.179 6.672 -1.725 299 1HG2 ILE 36 1HG2 ILE 36 -17.516 5.898 0.445 300 2HG2 ILE 36 2HG2 ILE 36 -16.914 4.289 0.051 301 3HG2 ILE 36 3HG2 ILE 36 -18.261 4.474 1.173 302 1HD1 ILE 36 1HD1 ILE 36 -16.485 5.862 -3.228 303 2HD1 ILE 36 2HD1 ILE 36 -17.033 4.196 -3.043 304 3HD1 ILE 36 3HD1 ILE 36 -16.251 5.022 -1.696 305 H GLY 37 H GLY 37 -21.288 2.773 -0.546 306 1HA GLY 37 2HA GLY 37 -20.771 1.821 2.088 307 2HA GLY 37 1HA GLY 37 -22.230 1.465 1.160 308 H ASP 38 H ASP 38 -21.896 -0.236 -0.611 309 HA ASP 38 HA ASP 38 -20.885 -2.668 0.564 310 1HB ASP 38 2HB ASP 38 -22.752 -2.288 -1.158 311 2HB ASP 38 1HB ASP 38 -21.467 -2.138 -2.359 312 H THR 39 H THR 39 -19.522 -0.327 -1.704 313 HA THR 39 HA THR 39 -17.306 -1.924 -2.627 314 HB THR 39 HB THR 39 -17.691 1.077 -2.357 315 HG1 THR 39 1HG THR 39 -18.480 0.938 -4.385 316 1HG2 THR 39 1HG2 THR 39 -15.962 1.127 -4.216 317 2HG2 THR 39 2HG2 THR 39 -15.639 -0.570 -3.858 318 3HG2 THR 39 3HG2 THR 39 -15.338 0.662 -2.633 319 H ALA 40 H ALA 40 -17.851 0.034 0.247 320 HA ALA 40 HA ALA 40 -15.073 0.129 1.099 321 1HB ALA 40 1HB ALA 40 -16.721 1.759 1.849 322 2HB ALA 40 2HB ALA 40 -16.175 0.842 3.254 323 3HB ALA 40 3HB ALA 40 -17.735 0.480 2.515 324 H LYS 41 H LYS 41 -17.888 -1.893 1.948 325 HA LYS 41 HA LYS 41 -16.259 -3.594 3.700 326 1HB LYS 41 2HB LYS 41 -18.401 -4.652 4.183 327 2HB LYS 41 1HB LYS 41 -18.597 -2.903 4.201 328 1HG LYS 41 2HG LYS 41 -19.292 -3.165 1.714 329 2HG LYS 41 1HG LYS 41 -19.485 -4.873 2.097 330 1HD LYS 41 2HD LYS 41 -21.629 -3.809 2.417 331 2HD LYS 41 1HD LYS 41 -20.980 -4.196 4.010 332 1HE LYS 41 2HE LYS 41 -19.959 -1.644 3.510 333 2HE LYS 41 1HE LYS 41 -21.610 -1.576 2.864 334 1HZ LYS 41 1HZ LYS 41 -20.831 -2.596 5.546 335 2HZ LYS 41 2HZ LYS 41 -22.410 -2.591 4.917 336 3HZ LYS 41 3HZ LYS 41 -21.616 -1.123 5.236 337 H LYS 42 H LYS 42 -17.043 -3.599 0.312 338 HA LYS 42 HA LYS 42 -16.877 -6.527 0.028 339 1HB LYS 42 2HB LYS 42 -18.346 -5.030 -1.343 340 2HB LYS 42 1HB LYS 42 -16.902 -4.274 -2.009 341 1HG LYS 42 2HG LYS 42 -17.829 -6.010 -3.521 342 2HG LYS 42 1HG LYS 42 -16.203 -6.416 -2.986 343 1HD LYS 42 2HD LYS 42 -16.913 -8.219 -1.766 344 2HD LYS 42 1HD LYS 42 -18.398 -7.415 -1.260 345 1HE LYS 42 2HE LYS 42 -19.587 -8.188 -3.068 346 2HE LYS 42 1HE LYS 42 -18.189 -8.086 -4.157 347 1HZ LYS 42 1HZ LYS 42 -18.655 -10.390 -3.676 348 2HZ LYS 42 2HZ LYS 42 -18.606 -10.094 -2.004 349 3HZ LYS 42 3HZ LYS 42 -17.193 -9.954 -2.936 350 H LEU 43 H LEU 43 -14.565 -4.314 0.751 351 HA LEU 43 HA LEU 43 -12.522 -5.359 -1.157 352 1HB LEU 43 2HB LEU 43 -12.863 -2.959 0.611 353 2HB LEU 43 1HB LEU 43 -11.231 -3.455 0.168 354 HG LEU 43 HG LEU 43 -13.371 -3.172 -1.934 355 1HD1 LEU 43 1HD1 LEU 43 -12.896 -1.065 -0.365 356 2HD1 LEU 43 2HD1 LEU 43 -13.090 -0.885 -2.108 357 3HD1 LEU 43 3HD1 LEU 43 -11.476 -0.923 -1.400 358 1HD2 LEU 43 1HD2 LEU 43 -11.307 -4.287 -2.589 359 2HD2 LEU 43 2HD2 LEU 43 -10.342 -2.982 -1.899 360 3HD2 LEU 43 3HD2 LEU 43 -11.338 -2.684 -3.323 361 H GLY 44 H GLY 44 -13.485 -5.308 2.229 362 1HA GLY 44 2HA GLY 44 -11.021 -6.379 3.298 363 2HA GLY 44 1HA GLY 44 -12.583 -6.373 4.120 364 H GLU 45 H GLU 45 -13.907 -7.760 1.850 365 HA GLU 45 HA GLU 45 -13.756 -10.454 2.703 366 1HB GLU 45 2HB GLU 45 -15.400 -9.093 1.148 367 2HB GLU 45 1HB GLU 45 -14.369 -9.710 -0.145 368 1HG GLU 45 2HG GLU 45 -16.036 -11.362 0.046 369 2HG GLU 45 1HG GLU 45 -14.702 -12.023 0.992 370 H MET 46 H MET 46 -12.203 -8.947 -0.152 371 HA MET 46 HA MET 46 -10.693 -11.334 -0.854 372 1HB MET 46 2HB MET 46 -10.534 -8.399 -1.610 373 2HB MET 46 1HB MET 46 -9.549 -9.650 -2.371 374 1HG MET 46 2HG MET 46 -12.553 -9.892 -2.228 375 2HG MET 46 1HG MET 46 -11.764 -9.015 -3.539 376 1HE MET 46 1HE MET 46 -11.837 -12.721 -1.741 377 2HE MET 46 2HE MET 46 -12.666 -13.276 -3.191 378 3HE MET 46 3HE MET 46 -13.250 -11.847 -2.344 379 H TRP 47 H TRP 47 -9.811 -8.186 0.612 380 HA TRP 47 HA TRP 47 -7.068 -8.596 1.068 381 1HB TRP 47 2HB TRP 47 -8.496 -6.546 1.479 382 2HB TRP 47 1HB TRP 47 -9.029 -7.298 2.983 383 HD1 TRP 47 HD TRP 47 -7.634 -6.711 5.015 384 HE1 TRP 47 1HE TRP 47 -5.229 -5.878 5.433 385 HE3 TRP 47 3HE TRP 47 -5.856 -6.711 0.228 386 HZ2 TRP 47 2HZ TRP 47 -2.865 -5.290 3.934 387 HZ3 TRP 47 3HZ TRP 47 -3.526 -6.012 -0.249 388 HH2 TRP 47 HH TRP 47 -2.030 -5.302 1.597 389 H SER 48 H SER 48 -9.633 -9.217 3.509 390 HA SER 48 HA SER 48 -7.955 -10.576 5.379 391 1HB SER 48 2HB SER 48 -10.184 -9.627 5.861 392 2HB SER 48 1HB SER 48 -10.928 -10.826 4.808 393 HG SER 48 HG SER 48 -10.737 -12.258 6.338 394 H GLU 49 H GLU 49 -9.767 -11.743 2.569 395 HA GLU 49 HA GLU 49 -9.653 -14.548 3.051 396 1HB GLU 49 2HB GLU 49 -9.999 -12.683 0.773 397 2HB GLU 49 1HB GLU 49 -9.482 -14.311 0.334 398 1HG GLU 49 2HG GLU 49 -11.823 -13.758 2.173 399 2HG GLU 49 1HG GLU 49 -11.994 -13.988 0.432 400 H GLN 50 H GLN 50 -7.294 -12.359 1.528 401 HA GLN 50 HA GLN 50 -5.417 -14.348 0.660 402 1HB GLN 50 2HB GLN 50 -5.073 -11.460 1.530 403 2HB GLN 50 1HB GLN 50 -3.873 -12.386 0.626 404 1HG GLN 50 2HG GLN 50 -6.049 -12.819 -0.928 405 2HG GLN 50 1HG GLN 50 -6.450 -11.226 -0.289 406 1HE2 GLN 50 1HE2 GLN 50 -3.676 -12.966 -1.806 407 2HE2 GLN 50 2HE2 GLN 50 -3.094 -11.608 -2.643 408 H SER 51 H SER 51 -3.282 -14.757 1.649 409 HA SER 51 HA SER 51 -3.497 -15.106 4.597 410 1HB SER 51 2HB SER 51 -1.747 -16.754 4.225 411 2HB SER 51 1HB SER 51 -2.962 -16.970 2.968 412 HG SER 51 HG SER 51 -0.654 -16.859 2.319 413 H ALA 52 H ALA 52 -0.481 -15.227 4.753 414 HA ALA 52 HA ALA 52 -0.024 -12.349 5.196 415 1HB ALA 52 1HB ALA 52 1.601 -14.873 5.648 416 2HB ALA 52 2HB ALA 52 0.672 -13.986 6.857 417 3HB ALA 52 3HB ALA 52 2.121 -13.267 6.154 418 H LYS 53 H LYS 53 -0.346 -12.672 2.475 419 HA LYS 53 HA LYS 53 2.456 -12.525 1.408 420 1HB LYS 53 2HB LYS 53 0.601 -14.432 0.849 421 2HB LYS 53 1HB LYS 53 0.185 -13.232 -0.374 422 1HG LYS 53 2HG LYS 53 1.817 -14.615 -1.410 423 2HG LYS 53 1HG LYS 53 2.689 -13.159 -0.930 424 1HD LYS 53 2HD LYS 53 3.630 -14.239 0.986 425 2HD LYS 53 1HD LYS 53 2.544 -15.619 0.823 426 1HE LYS 53 2HE LYS 53 4.662 -16.335 -0.068 427 2HE LYS 53 1HE LYS 53 3.636 -16.007 -1.479 428 1HZ LYS 53 1HZ LYS 53 5.574 -14.127 -0.233 429 2HZ LYS 53 2HZ LYS 53 4.516 -13.727 -1.501 430 3HZ LYS 53 3HZ LYS 53 5.740 -14.881 -1.744 431 H ASP 54 H ASP 54 -0.912 -11.423 1.009 432 HA ASP 54 HA ASP 54 -0.427 -9.399 -0.948 433 1HB ASP 54 2HB ASP 54 -2.628 -8.549 -0.150 434 2HB ASP 54 1HB ASP 54 -2.638 -10.298 -0.370 435 H LYS 55 H LYS 55 -0.268 -9.293 2.619 436 HA LYS 55 HA LYS 55 0.333 -6.401 2.579 437 1HB LYS 55 2HB LYS 55 -1.168 -7.484 4.244 438 2HB LYS 55 1HB LYS 55 0.203 -8.423 4.836 439 1HG LYS 55 2HG LYS 55 1.246 -6.562 5.768 440 2HG LYS 55 1HG LYS 55 0.435 -5.435 4.679 441 1HD LYS 55 2HD LYS 55 -1.627 -5.619 5.862 442 2HD LYS 55 1HD LYS 55 -1.068 -7.030 6.761 443 1HE LYS 55 2HE LYS 55 -0.682 -5.417 8.378 444 2HE LYS 55 1HE LYS 55 0.848 -5.261 7.491 445 1HZ LYS 55 1HZ LYS 55 -1.633 -3.739 6.885 446 2HZ LYS 55 2HZ LYS 55 -0.132 -3.570 6.104 447 3HZ LYS 55 3HZ LYS 55 -0.302 -3.116 7.733 448 H GLN 56 H GLN 56 2.268 -8.681 1.574 449 HA GLN 56 HA GLN 56 4.539 -8.229 3.431 450 1HB GLN 56 2HB GLN 56 3.720 -10.192 1.402 451 2HB GLN 56 1HB GLN 56 5.433 -9.787 1.326 452 1HG GLN 56 2HG GLN 56 5.279 -10.082 3.957 453 2HG GLN 56 1HG GLN 56 3.887 -11.081 3.540 454 1HE2 GLN 56 1HE2 GLN 56 4.579 -12.477 1.333 455 2HE2 GLN 56 2HE2 GLN 56 6.014 -13.355 1.557 456 HA PRO 57 HA PRO 57 6.340 -6.223 -0.442 457 1HB PRO 57 2HB PRO 57 5.010 -6.223 -2.810 458 2HB PRO 57 1HB PRO 57 6.032 -7.578 -2.291 459 1HG PRO 57 2HG PRO 57 3.099 -7.338 -2.333 460 2HG PRO 57 1HG PRO 57 4.112 -8.769 -2.535 461 1HD PRO 57 2HD PRO 57 2.721 -8.036 -0.225 462 2HD PRO 57 1HD PRO 57 4.008 -9.252 -0.338 463 H TYR 58 H TYR 58 2.823 -5.911 -0.297 464 HA TYR 58 HA TYR 58 2.793 -3.124 -1.196 465 1HB TYR 58 2HB TYR 58 0.825 -5.144 -0.143 466 2HB TYR 58 1HB TYR 58 0.341 -3.463 -0.373 467 HD1 TYR 58 1HD TYR 58 1.039 -6.623 -1.988 468 HD2 TYR 58 2HD TYR 58 0.643 -2.399 -2.660 469 HE1 TYR 58 1HE TYR 58 0.762 -7.035 -4.418 470 HE2 TYR 58 2HE TYR 58 0.365 -2.811 -5.089 471 HH TYR 58 HH TYR 58 1.265 -5.229 -6.656 472 H GLU 59 H GLU 59 3.801 -4.414 1.717 473 HA GLU 59 HA GLU 59 2.520 -2.325 3.399 474 1HB GLU 59 2HB GLU 59 3.394 -3.651 5.242 475 2HB GLU 59 1HB GLU 59 2.649 -4.732 4.074 476 1HG GLU 59 2HG GLU 59 4.625 -5.878 4.288 477 2HG GLU 59 1HG GLU 59 5.189 -4.690 3.113 478 H GLN 60 H GLN 60 5.554 -3.019 1.819 479 HA GLN 60 HA GLN 60 7.134 -1.197 3.489 480 1HB GLN 60 2HB GLN 60 8.895 -1.759 1.825 481 2HB GLN 60 1HB GLN 60 8.105 -3.202 2.454 482 1HG GLN 60 2HG GLN 60 6.897 -3.554 0.471 483 2HG GLN 60 1HG GLN 60 7.119 -1.894 -0.075 484 1HE2 GLN 60 1HE2 GLN 60 9.535 -1.290 -0.493 485 2HE2 GLN 60 2HE2 GLN 60 10.506 -2.489 -1.200 486 H LYS 61 H LYS 61 5.227 -1.008 0.560 487 HA LYS 61 HA LYS 61 6.371 1.334 -0.628 488 1HB LYS 61 2HB LYS 61 4.753 -0.234 -1.686 489 2HB LYS 61 1HB LYS 61 3.501 0.335 -0.582 490 1HG LYS 61 2HG LYS 61 3.547 2.539 -1.519 491 2HG LYS 61 1HG LYS 61 5.020 2.191 -2.427 492 1HD LYS 61 2HD LYS 61 3.852 0.618 -3.845 493 2HD LYS 61 1HD LYS 61 2.395 0.739 -2.856 494 1HE LYS 61 2HE LYS 61 2.437 3.264 -3.423 495 2HE LYS 61 1HE LYS 61 3.578 2.816 -4.706 496 1HZ LYS 61 1HZ LYS 61 2.009 1.169 -5.499 497 2HZ LYS 61 2HZ LYS 61 1.277 2.702 -5.485 498 3HZ LYS 61 3HZ LYS 61 0.914 1.572 -4.268 499 H ALA 62 H ALA 62 3.716 0.946 1.737 500 HA ALA 62 HA ALA 62 3.249 3.801 2.013 501 1HB ALA 62 1HB ALA 62 2.299 1.238 3.127 502 2HB ALA 62 2HB ALA 62 1.380 2.675 2.679 503 3HB ALA 62 3HB ALA 62 2.194 2.600 4.242 504 H ALA 63 H ALA 63 5.717 1.745 3.200 505 HA ALA 63 HA ALA 63 6.153 3.209 5.720 506 1HB ALA 63 1HB ALA 63 8.019 1.620 5.918 507 2HB ALA 63 2HB ALA 63 7.805 1.137 4.236 508 3HB ALA 63 3HB ALA 63 6.557 0.767 5.425 509 H LYS 64 H LYS 64 6.714 3.975 2.505 510 HA LYS 64 HA LYS 64 9.332 5.310 3.016 511 1HB LYS 64 2HB LYS 64 7.726 4.482 0.587 512 2HB LYS 64 1HB LYS 64 9.133 5.532 0.461 513 1HG LYS 64 2HG LYS 64 9.218 2.849 1.851 514 2HG LYS 64 1HG LYS 64 9.578 3.039 0.134 515 1HD LYS 64 2HD LYS 64 10.980 4.894 1.990 516 2HD LYS 64 1HD LYS 64 11.481 3.205 2.040 517 1HE LYS 64 2HE LYS 64 12.790 3.708 0.242 518 2HE LYS 64 1HE LYS 64 11.285 3.746 -0.696 519 1HZ LYS 64 1HZ LYS 64 12.443 6.032 0.811 520 2HZ LYS 64 2HZ LYS 64 10.990 6.063 -0.068 521 3HZ LYS 64 3HZ LYS 64 12.469 5.854 -0.875 522 H LEU 65 H LEU 65 5.965 5.820 2.187 523 HA LEU 65 HA LEU 65 6.277 8.687 1.628 524 1HB LEU 65 2HB LEU 65 4.046 6.670 1.782 525 2HB LEU 65 1HB LEU 65 3.675 8.391 1.682 526 HG LEU 65 HG LEU 65 5.359 8.387 -0.314 527 1HD1 LEU 65 1HD1 LEU 65 6.292 6.209 -0.153 528 2HD1 LEU 65 2HD1 LEU 65 5.172 6.116 -1.513 529 3HD1 LEU 65 3HD1 LEU 65 4.709 5.460 0.057 530 1HD2 LEU 65 1HD2 LEU 65 3.541 7.985 -1.841 531 2HD2 LEU 65 2HD2 LEU 65 2.836 8.681 -0.383 532 3HD2 LEU 65 3HD2 LEU 65 2.718 6.946 -0.678 533 H LYS 66 H LYS 66 6.108 6.797 4.464 534 HA LYS 66 HA LYS 66 4.540 8.666 6.089 535 1HB LYS 66 2HB LYS 66 4.913 6.083 6.297 536 2HB LYS 66 1HB LYS 66 6.426 6.532 7.084 537 1HG LYS 66 2HG LYS 66 5.345 7.548 8.884 538 2HG LYS 66 1HG LYS 66 3.864 7.825 7.967 539 1HD LYS 66 2HD LYS 66 3.366 6.036 9.470 540 2HD LYS 66 1HD LYS 66 3.598 5.285 7.891 541 1HE LYS 66 2HE LYS 66 5.879 4.638 8.475 542 2HE LYS 66 1HE LYS 66 5.756 5.501 10.022 543 1HZ LYS 66 1HZ LYS 66 4.005 3.266 9.139 544 2HZ LYS 66 2HZ LYS 66 3.864 4.110 10.606 545 3HZ LYS 66 3HZ LYS 66 5.234 3.152 10.301 546 H GLU 67 H GLU 67 7.909 8.127 5.228 547 HA GLU 67 HA GLU 67 8.952 9.899 7.339 548 1HB GLU 67 2HB GLU 67 10.042 8.299 5.025 549 2HB GLU 67 1HB GLU 67 11.073 9.442 5.889 550 1HG GLU 67 2HG GLU 67 10.492 8.293 8.026 551 2HG GLU 67 1HG GLU 67 9.569 7.105 7.104 552 H LYS 68 H LYS 68 7.454 10.373 4.334 553 HA LYS 68 HA LYS 68 8.952 12.898 3.774 554 1HB LYS 68 2HB LYS 68 7.119 11.081 2.186 555 2HB LYS 68 1HB LYS 68 7.606 12.670 1.595 556 1HG LYS 68 2HG LYS 68 9.587 10.555 2.468 557 2HG LYS 68 1HG LYS 68 9.057 10.750 0.796 558 1HD LYS 68 2HD LYS 68 9.792 13.157 0.925 559 2HD LYS 68 1HD LYS 68 10.492 12.800 2.504 560 1HE LYS 68 2HE LYS 68 11.216 11.060 0.156 561 2HE LYS 68 1HE LYS 68 12.025 12.625 0.373 562 1HZ LYS 68 1HZ LYS 68 13.195 10.900 1.593 563 2HZ LYS 68 2HZ LYS 68 11.774 10.494 2.431 564 3HZ LYS 68 3HZ LYS 68 12.501 12.010 2.671 565 H TYR 69 H TYR 69 5.781 11.505 4.443 566 HA TYR 69 HA TYR 69 4.295 14.007 4.232 567 1HB TYR 69 2HB TYR 69 3.269 11.820 3.854 568 2HB TYR 69 1HB TYR 69 3.738 11.282 5.464 569 HD1 TYR 69 1HD TYR 69 2.027 14.315 4.035 570 HD2 TYR 69 2HD TYR 69 1.964 11.168 6.955 571 HE1 TYR 69 1HE TYR 69 -0.094 15.212 4.953 572 HE2 TYR 69 2HE TYR 69 -0.157 12.064 7.875 573 HH TYR 69 HH TYR 69 -1.309 14.377 7.919 574 H GLU 70 H GLU 70 5.142 11.916 7.014 575 HA GLU 70 HA GLU 70 4.351 13.690 9.084 576 1HB GLU 70 2HB GLU 70 6.436 11.511 8.859 577 2HB GLU 70 1HB GLU 70 6.080 12.309 10.392 578 1HG GLU 70 2HG GLU 70 3.609 11.737 9.899 579 2HG GLU 70 1HG GLU 70 4.247 10.620 8.691 580 H LYS 71 H LYS 71 7.142 13.855 6.994 581 HA LYS 71 HA LYS 71 8.512 15.768 8.829 582 1HB LYS 71 2HB LYS 71 9.270 14.112 6.427 583 2HB LYS 71 1HB LYS 71 10.310 15.427 6.977 584 1HG LYS 71 2HG LYS 71 9.315 13.302 8.878 585 2HG LYS 71 1HG LYS 71 10.787 13.079 7.931 586 1HD LYS 71 2HD LYS 71 11.506 15.382 8.852 587 2HD LYS 71 1HD LYS 71 10.214 15.167 10.034 588 1HE LYS 71 2HE LYS 71 12.354 13.066 9.572 589 2HE LYS 71 1HE LYS 71 12.502 14.341 10.800 590 1HZ LYS 71 1HZ LYS 71 10.378 13.672 11.719 591 2HZ LYS 71 2HZ LYS 71 11.442 12.348 11.708 592 3HZ LYS 71 3HZ LYS 71 10.211 12.462 10.541 593 H ASP 72 H ASP 72 6.788 15.632 5.765 594 HA ASP 72 HA ASP 72 7.665 18.387 5.054 595 1HB ASP 72 2HB ASP 72 7.641 16.444 3.442 596 2HB ASP 72 1HB ASP 72 5.882 16.441 3.567 597 H ILE 73 H ILE 73 4.709 16.576 5.902 598 HA ILE 73 HA ILE 73 2.906 18.784 5.426 599 HB ILE 73 HB ILE 73 2.470 16.251 5.546 600 1HG1 ILE 73 2HG1 ILE 73 0.184 16.721 6.723 601 2HG1 ILE 73 1HG1 ILE 73 0.763 18.386 6.791 602 1HG2 ILE 73 1HG2 ILE 73 1.866 16.650 8.448 603 2HG2 ILE 73 2HG2 ILE 73 3.529 16.284 7.989 604 3HG2 ILE 73 3HG2 ILE 73 2.232 15.164 7.571 605 1HD1 ILE 73 1HD1 ILE 73 -0.607 17.680 4.708 606 2HD1 ILE 73 2HD1 ILE 73 0.849 16.815 4.218 607 3HD1 ILE 73 3HD1 ILE 73 0.895 18.564 4.440 608 H ALA 74 H ALA 74 4.914 17.849 8.142 609 HA ALA 74 HA ALA 74 3.608 19.265 10.253 610 1HB ALA 74 1HB ALA 74 5.460 17.603 10.460 611 2HB ALA 74 2HB ALA 74 5.809 19.097 11.330 612 3HB ALA 74 3HB ALA 74 6.569 18.787 9.768 613 H ALA 75 H ALA 75 6.143 20.307 7.963 614 HA ALA 75 HA ALA 75 6.096 23.071 8.984 615 1HB ALA 75 1HB ALA 75 8.183 22.025 8.292 616 2HB ALA 75 2HB ALA 75 7.816 23.334 7.168 617 3HB ALA 75 3HB ALA 75 7.512 21.659 6.701 618 H TYR 76 H TYR 76 4.449 21.234 6.543 619 HA TYR 76 HA TYR 76 3.865 23.498 4.775 620 1HB TYR 76 2HB TYR 76 4.080 21.065 4.121 621 2HB TYR 76 1HB TYR 76 2.569 20.761 4.981 622 HD1 TYR 76 1HD TYR 76 4.089 22.745 2.212 623 HD2 TYR 76 2HD TYR 76 0.470 21.258 3.987 624 HE1 TYR 76 1HE TYR 76 2.807 23.491 0.224 625 HE2 TYR 76 2HE TYR 76 -0.811 22.004 1.999 626 HH TYR 76 HH TYR 76 0.600 22.812 -0.899 627 H ARG 77 H ARG 77 2.293 21.816 7.457 628 HA ARG 77 HA ARG 77 -0.159 23.484 7.138 629 1HB ARG 77 2HB ARG 77 0.615 20.972 8.609 630 2HB ARG 77 1HB ARG 77 -0.856 21.844 9.045 631 1HG ARG 77 2HG ARG 77 -1.497 21.761 6.585 632 2HG ARG 77 1HG ARG 77 -0.156 20.637 6.359 633 1HD ARG 77 2HD ARG 77 -1.167 18.965 7.671 634 2HD ARG 77 1HD ARG 77 -2.228 20.126 8.495 635 HE ARG 77 HE ARG 77 -2.536 19.750 5.556 636 1HH1 ARG 77 1HH2 ARG 77 -3.578 17.837 7.939 637 2HH1 ARG 77 2HH2 ARG 77 -5.259 18.242 7.855 638 1HH2 ARG 77 1HH1 ARG 77 -4.765 20.993 5.802 639 2HH2 ARG 77 2HH1 ARG 77 -5.932 20.029 6.645 640 H ALA 78 H ALA 78 2.780 23.798 8.701 641 HA ALA 78 HA ALA 78 1.955 24.597 11.358 642 1HB ALA 78 1HB ALA 78 4.406 25.334 9.722 643 2HB ALA 78 2HB ALA 78 4.237 23.852 10.665 644 3HB ALA 78 3HB ALA 78 4.266 25.416 11.478 645 H LYS 79 H LYS 79 0.089 26.001 10.603 646 HA LYS 79 HA LYS 79 0.657 28.517 9.238 647 1HB LYS 79 2HB LYS 79 -1.609 27.013 10.351 648 2HB LYS 79 1HB LYS 79 -1.786 28.759 10.512 649 1HG LYS 79 2HG LYS 79 -2.727 28.212 8.388 650 2HG LYS 79 1HG LYS 79 -1.145 28.909 8.041 651 1HD LYS 79 2HD LYS 79 -0.392 26.353 8.265 652 2HD LYS 79 1HD LYS 79 -2.068 26.082 7.785 653 1HE LYS 79 2HE LYS 79 -1.632 27.754 5.877 654 2HE LYS 79 1HE LYS 79 0.090 27.557 6.260 655 1HZ LYS 79 1HZ LYS 79 -0.145 25.177 6.044 656 2HZ LYS 79 2HZ LYS 79 -0.670 25.926 4.612 657 3HZ LYS 79 3HZ LYS 79 -1.805 25.329 5.728 Start of MODEL 9 1 1H MET 1 1HT MET 1 -7.452 4.656 -9.420 2 2H MET 1 2HT MET 1 -8.393 6.029 -9.080 3 3H MET 1 3HT MET 1 -7.176 5.542 -8.000 4 HA MET 1 HA MET 1 -5.475 6.032 -9.673 5 1HB MET 1 2HB MET 1 -7.335 5.508 -11.439 6 2HB MET 1 1HB MET 1 -7.722 7.223 -11.289 7 1HG MET 1 2HG MET 1 -5.474 7.851 -11.929 8 2HG MET 1 1HG MET 1 -4.947 6.168 -11.896 9 1HE MET 1 1HE MET 1 -6.489 4.460 -14.816 10 2HE MET 1 2HE MET 1 -7.415 4.577 -13.321 11 3HE MET 1 3HE MET 1 -5.664 4.393 -13.253 12 H LYS 2 H LYS 2 -4.858 7.495 -8.032 13 HA LYS 2 HA LYS 2 -6.407 10.036 -7.769 14 1HB LYS 2 2HB LYS 2 -4.689 8.323 -6.074 15 2HB LYS 2 1HB LYS 2 -4.485 10.059 -5.833 16 1HG LYS 2 2HG LYS 2 -7.236 9.803 -5.978 17 2HG LYS 2 1HG LYS 2 -6.759 8.329 -5.140 18 1HD LYS 2 2HD LYS 2 -5.254 9.956 -3.725 19 2HD LYS 2 1HD LYS 2 -6.376 11.184 -4.311 20 1HE LYS 2 2HE LYS 2 -7.714 8.751 -3.325 21 2HE LYS 2 1HE LYS 2 -6.792 9.623 -2.086 22 1HZ LYS 2 1HZ LYS 2 -8.736 10.850 -3.970 23 2HZ LYS 2 2HZ LYS 2 -7.841 11.681 -2.789 24 3HZ LYS 2 3HZ LYS 2 -9.023 10.551 -2.325 25 H LYS 3 H LYS 3 -4.931 12.015 -7.408 26 HA LYS 3 HA LYS 3 -2.263 12.023 -8.519 27 1HB LYS 3 2HB LYS 3 -3.846 11.662 -10.495 28 2HB LYS 3 1HB LYS 3 -4.441 13.296 -10.193 29 1HG LYS 3 2HG LYS 3 -2.064 14.113 -10.378 30 2HG LYS 3 1HG LYS 3 -1.605 12.488 -10.892 31 1HD LYS 3 2HD LYS 3 -2.853 12.633 -12.885 32 2HD LYS 3 1HD LYS 3 -3.825 13.977 -12.285 33 1HE LYS 3 2HE LYS 3 -2.249 14.933 -13.837 34 2HE LYS 3 1HE LYS 3 -1.635 15.330 -12.219 35 1HZ LYS 3 1HZ LYS 3 -0.266 13.340 -12.285 36 2HZ LYS 3 2HZ LYS 3 0.108 14.354 -13.596 37 3HZ LYS 3 3HZ LYS 3 -0.841 12.964 -13.835 38 H LYS 4 H LYS 4 -2.705 13.070 -6.188 39 HA LYS 4 HA LYS 4 -3.666 15.826 -6.274 40 1HB LYS 4 2HB LYS 4 -3.117 15.716 -3.844 41 2HB LYS 4 1HB LYS 4 -4.117 14.359 -4.356 42 1HG LYS 4 2HG LYS 4 -2.339 12.836 -4.238 43 2HG LYS 4 1HG LYS 4 -1.117 14.101 -4.367 44 1HD LYS 4 2HD LYS 4 -1.858 14.948 -2.116 45 2HD LYS 4 1HD LYS 4 -2.896 13.528 -1.985 46 1HE LYS 4 2HE LYS 4 0.079 13.312 -2.527 47 2HE LYS 4 1HE LYS 4 -0.606 13.280 -0.892 48 1HZ LYS 4 1HZ LYS 4 -0.498 11.042 -1.712 49 2HZ LYS 4 2HZ LYS 4 -1.302 11.473 -3.145 50 3HZ LYS 4 3HZ LYS 4 -2.126 11.511 -1.659 51 H ASP 5 H ASP 5 -1.940 17.163 -4.650 52 HA ASP 5 HA ASP 5 0.080 18.218 -6.257 53 1HB ASP 5 2HB ASP 5 -0.621 18.066 -3.401 54 2HB ASP 5 1HB ASP 5 1.074 18.459 -3.701 55 HA PRO 6 HA PRO 6 3.221 15.103 -6.353 56 1HB PRO 6 2HB PRO 6 5.397 16.630 -6.980 57 2HB PRO 6 1HB PRO 6 4.124 16.237 -8.152 58 1HG PRO 6 2HG PRO 6 4.598 18.748 -6.645 59 2HG PRO 6 1HG PRO 6 3.984 18.511 -8.288 60 1HD PRO 6 2HD PRO 6 2.419 19.101 -6.097 61 2HD PRO 6 1HD PRO 6 1.832 18.324 -7.583 62 H ASN 7 H ASN 7 3.730 18.000 -4.376 63 HA ASN 7 HA ASN 7 5.613 16.438 -2.637 64 1HB ASN 7 2HB ASN 7 6.178 18.669 -3.928 65 2HB ASN 7 1HB ASN 7 5.311 19.424 -2.591 66 1HD2 ASN 7 1HD2 ASN 7 6.191 19.079 -0.381 67 2HD2 ASN 7 2HD2 ASN 7 7.818 18.644 -0.172 68 H ALA 8 H ALA 8 2.538 16.597 -2.574 69 HA ALA 8 HA ALA 8 2.175 17.825 0.132 70 1HB ALA 8 1HB ALA 8 0.714 18.581 -1.706 71 2HB ALA 8 2HB ALA 8 -0.227 17.717 -0.491 72 3HB ALA 8 3HB ALA 8 0.212 16.916 -1.999 73 HA PRO 9 HA PRO 9 2.258 13.304 0.998 74 1HB PRO 9 2HB PRO 9 3.248 13.519 3.537 75 2HB PRO 9 1HB PRO 9 4.284 13.499 2.097 76 1HG PRO 9 2HG PRO 9 3.374 15.811 3.737 77 2HG PRO 9 1HG PRO 9 4.951 15.506 2.994 78 1HD PRO 9 2HD PRO 9 3.104 17.202 1.934 79 2HD PRO 9 1HD PRO 9 4.297 16.318 0.956 80 H LYS 10 H LYS 10 -0.140 13.660 0.971 81 HA LYS 10 HA LYS 10 -1.644 14.713 3.142 82 1HB LYS 10 2HB LYS 10 -2.072 13.479 0.647 83 2HB LYS 10 1HB LYS 10 -2.914 12.454 1.806 84 1HG LYS 10 2HG LYS 10 -4.434 14.186 1.032 85 2HG LYS 10 1HG LYS 10 -4.035 14.494 2.723 86 1HD LYS 10 2HD LYS 10 -2.560 16.261 2.172 87 2HD LYS 10 1HD LYS 10 -2.463 15.765 0.483 88 1HE LYS 10 2HE LYS 10 -4.787 16.429 0.105 89 2HE LYS 10 1HE LYS 10 -4.976 16.827 1.825 90 1HZ LYS 10 1HZ LYS 10 -4.413 18.817 0.621 91 2HZ LYS 10 2HZ LYS 10 -3.058 18.067 -0.078 92 3HZ LYS 10 3HZ LYS 10 -3.096 18.376 1.592 93 H ARG 11 H ARG 11 -3.377 12.514 3.814 94 HA ARG 11 HA ARG 11 -2.314 11.503 6.186 95 1HB ARG 11 2HB ARG 11 -4.437 10.701 4.249 96 2HB ARG 11 1HB ARG 11 -4.032 9.552 5.525 97 1HG ARG 11 2HG ARG 11 -5.694 10.849 6.545 98 2HG ARG 11 1HG ARG 11 -4.217 11.640 7.099 99 1HD ARG 11 2HD ARG 11 -4.518 13.482 5.700 100 2HD ARG 11 1HD ARG 11 -5.488 12.563 4.531 101 HE ARG 11 HE ARG 11 -6.486 13.337 7.249 102 1HH1 ARG 11 1HH2 ARG 11 -7.678 11.171 5.284 103 2HH1 ARG 11 2HH2 ARG 11 -9.037 12.061 4.683 104 1HH2 ARG 11 1HH1 ARG 11 -7.909 15.111 5.887 105 2HH2 ARG 11 2HH1 ARG 11 -9.167 14.292 5.024 106 HA PRO 12 HA PRO 12 0.640 8.511 4.741 107 1HB PRO 12 2HB PRO 12 1.117 7.203 7.091 108 2HB PRO 12 1HB PRO 12 1.767 8.815 6.734 109 1HG PRO 12 2HG PRO 12 -0.521 8.035 8.446 110 2HG PRO 12 1HG PRO 12 0.635 9.359 8.632 111 1HD PRO 12 2HD PRO 12 -1.945 9.634 7.687 112 2HD PRO 12 1HD PRO 12 -0.626 10.790 7.404 113 HA PRO 13 HA PRO 13 -2.213 5.071 4.293 114 1HB PRO 13 2HB PRO 13 -0.860 3.739 2.332 115 2HB PRO 13 1HB PRO 13 -1.834 5.188 2.018 116 1HG PRO 13 2HG PRO 13 1.093 4.875 2.128 117 2HG PRO 13 1HG PRO 13 0.112 6.042 1.234 118 1HD PRO 13 2HD PRO 13 1.512 6.507 3.630 119 2HD PRO 13 1HD PRO 13 0.318 7.581 2.873 120 H SER 14 H SER 14 -1.798 2.521 4.142 121 HA SER 14 HA SER 14 0.647 1.562 5.446 122 1HB SER 14 2HB SER 14 -1.857 2.225 6.896 123 2HB SER 14 1HB SER 14 -1.113 0.685 7.321 124 HG SER 14 HG SER 14 -0.005 3.290 7.423 125 H ALA 15 H ALA 15 0.020 0.529 3.123 126 HA ALA 15 HA ALA 15 -0.453 -1.461 2.006 127 1HB ALA 15 1HB ALA 15 -1.468 -3.059 4.187 128 2HB ALA 15 2HB ALA 15 -0.065 -2.148 4.743 129 3HB ALA 15 3HB ALA 15 0.072 -3.208 3.342 130 H PHE 16 H PHE 16 -2.892 -1.744 4.610 131 HA PHE 16 HA PHE 16 -5.086 -2.407 2.995 132 1HB PHE 16 2HB PHE 16 -4.754 -2.300 5.544 133 2HB PHE 16 1HB PHE 16 -5.232 -0.610 5.415 134 HD1 PHE 16 1HD PHE 16 -7.433 -0.158 4.026 135 HD2 PHE 16 2HD PHE 16 -6.416 -3.929 5.815 136 HE1 PHE 16 1HE PHE 16 -9.819 -0.834 3.959 137 HE2 PHE 16 2HE PHE 16 -8.801 -4.604 5.748 138 HZ PHE 16 HZ PHE 16 -10.503 -3.056 4.820 139 H PHE 17 H PHE 17 -3.994 0.858 3.961 140 HA PHE 17 HA PHE 17 -6.125 2.319 2.710 141 1HB PHE 17 2HB PHE 17 -4.313 3.032 4.420 142 2HB PHE 17 1HB PHE 17 -3.266 3.254 3.018 143 HD1 PHE 17 1HD PHE 17 -6.040 4.601 4.937 144 HD2 PHE 17 2HD PHE 17 -3.942 4.853 1.197 145 HE1 PHE 17 1HE PHE 17 -7.082 6.809 4.501 146 HE2 PHE 17 2HE PHE 17 -4.984 7.061 0.761 147 HZ PHE 17 HZ PHE 17 -6.554 8.039 2.414 148 H LEU 18 H LEU 18 -3.105 0.939 1.500 149 HA LEU 18 HA LEU 18 -3.122 2.344 -1.043 150 1HB LEU 18 2HB LEU 18 -1.787 -0.262 -0.227 151 2HB LEU 18 1HB LEU 18 -1.304 0.791 -1.553 152 HG LEU 18 HG LEU 18 -1.239 1.509 1.401 153 1HD1 LEU 18 1HD1 LEU 18 1.252 1.621 0.900 154 2HD1 LEU 18 2HD1 LEU 18 0.898 0.811 -0.625 155 3HD1 LEU 18 3HD1 LEU 18 0.553 0.002 0.903 156 1HD2 LEU 18 1HD2 LEU 18 0.046 3.519 0.476 157 2HD2 LEU 18 2HD2 LEU 18 -1.688 3.516 0.157 158 3HD2 LEU 18 3HD2 LEU 18 -0.556 3.059 -1.116 159 H PHE 19 H PHE 19 -4.099 -0.922 0.038 160 HA PHE 19 HA PHE 19 -4.900 -1.901 -2.544 161 1HB PHE 19 2HB PHE 19 -4.419 -3.177 -0.394 162 2HB PHE 19 1HB PHE 19 -6.004 -2.656 0.176 163 HD1 PHE 19 1HD PHE 19 -4.192 -4.853 -2.119 164 HD2 PHE 19 2HD PHE 19 -8.069 -3.399 -0.979 165 HE1 PHE 19 1HE PHE 19 -5.256 -6.702 -3.382 166 HE2 PHE 19 2HE PHE 19 -9.133 -5.248 -2.242 167 HZ PHE 19 HZ PHE 19 -7.727 -6.900 -3.443 168 H CYS 20 H CYS 20 -6.794 -0.475 0.141 169 HA CYS 20 HA CYS 20 -9.331 -0.536 -1.221 170 1HB CYS 20 2HB CYS 20 -8.772 -0.247 1.269 171 2HB CYS 20 1HB CYS 20 -8.423 1.439 0.888 172 HG CYS 20 HG CYS 20 -10.906 1.763 0.173 173 H SER 21 H SER 21 -6.643 1.730 -1.212 174 HA SER 21 HA SER 21 -8.175 3.800 -2.663 175 1HB SER 21 2HB SER 21 -6.506 4.258 -0.851 176 2HB SER 21 1HB SER 21 -5.244 3.635 -1.909 177 HG SER 21 HG SER 21 -5.243 5.748 -2.353 178 H GLU 22 H GLU 22 -6.890 0.950 -3.738 179 HA GLU 22 HA GLU 22 -6.197 2.159 -6.379 180 1HB GLU 22 2HB GLU 22 -4.637 0.246 -4.678 181 2HB GLU 22 1HB GLU 22 -4.369 0.338 -6.415 182 1HG GLU 22 2HG GLU 22 -4.337 2.812 -4.686 183 2HG GLU 22 1HG GLU 22 -2.890 1.829 -4.911 184 H TYR 23 H TYR 23 -8.179 -0.037 -4.780 185 HA TYR 23 HA TYR 23 -8.399 -1.756 -7.229 186 1HB TYR 23 2HB TYR 23 -8.362 -2.314 -4.293 187 2HB TYR 23 1HB TYR 23 -9.376 -3.337 -5.310 188 HD1 TYR 23 1HD TYR 23 -5.989 -2.532 -4.300 189 HD2 TYR 23 2HD TYR 23 -8.345 -4.534 -7.282 190 HE1 TYR 23 1HE TYR 23 -3.984 -3.793 -5.037 191 HE2 TYR 23 2HE TYR 23 -6.340 -5.795 -8.019 192 HH TYR 23 HH TYR 23 -3.920 -5.603 -7.945 193 H ARG 24 H ARG 24 -9.886 0.795 -6.248 194 HA ARG 24 HA ARG 24 -12.602 -0.178 -5.763 195 1HB ARG 24 2HB ARG 24 -11.446 2.582 -6.226 196 2HB ARG 24 1HB ARG 24 -13.090 2.236 -5.689 197 1HG ARG 24 2HG ARG 24 -12.298 1.227 -3.651 198 2HG ARG 24 1HG ARG 24 -10.625 1.293 -4.206 199 1HD ARG 24 2HD ARG 24 -10.418 3.534 -3.715 200 2HD ARG 24 1HD ARG 24 -12.102 3.886 -4.156 201 HE ARG 24 HE ARG 24 -11.464 2.358 -1.664 202 1HH1 ARG 24 1HH2 ARG 24 -14.167 3.399 -3.024 203 2HH1 ARG 24 2HH2 ARG 24 -14.599 4.594 -1.847 204 1HH2 ARG 24 1HH1 ARG 24 -11.505 4.558 -0.284 205 2HH2 ARG 24 2HH1 ARG 24 -13.092 5.250 -0.295 206 HA PRO 25 HA PRO 25 -13.261 1.767 -10.129 207 1HB PRO 25 2HB PRO 25 -11.092 1.879 -11.798 208 2HB PRO 25 1HB PRO 25 -11.620 3.233 -10.781 209 1HG PRO 25 2HG PRO 25 -9.430 1.271 -10.335 210 2HG PRO 25 1HG PRO 25 -9.473 3.012 -10.009 211 1HD PRO 25 2HD PRO 25 -9.768 1.146 -8.092 212 2HD PRO 25 1HD PRO 25 -10.539 2.741 -7.991 213 H LYS 26 H LYS 26 -11.212 -0.898 -9.335 214 HA LYS 26 HA LYS 26 -11.558 -2.442 -11.782 215 1HB LYS 26 2HB LYS 26 -9.785 -2.665 -9.939 216 2HB LYS 26 1HB LYS 26 -11.052 -3.402 -8.953 217 1HG LYS 26 2HG LYS 26 -10.526 -4.443 -11.725 218 2HG LYS 26 1HG LYS 26 -9.487 -4.945 -10.391 219 1HD LYS 26 2HD LYS 26 -11.701 -5.467 -9.142 220 2HD LYS 26 1HD LYS 26 -12.447 -5.398 -10.738 221 1HE LYS 26 2HE LYS 26 -10.699 -7.077 -11.516 222 2HE LYS 26 1HE LYS 26 -10.257 -7.279 -9.808 223 1HZ LYS 26 1HZ LYS 26 -12.528 -7.814 -9.283 224 2HZ LYS 26 2HZ LYS 26 -11.999 -8.850 -10.522 225 3HZ LYS 26 3HZ LYS 26 -13.016 -7.537 -10.882 226 H ILE 27 H ILE 27 -12.989 -2.540 -8.520 227 HA ILE 27 HA ILE 27 -14.935 -4.550 -8.858 228 HB ILE 27 HB ILE 27 -15.202 -1.933 -7.331 229 1HG1 ILE 27 2HG1 ILE 27 -13.092 -2.885 -6.656 230 2HG1 ILE 27 1HG1 ILE 27 -14.253 -3.245 -5.394 231 1HG2 ILE 27 1HG2 ILE 27 -16.527 -3.393 -5.763 232 2HG2 ILE 27 2HG2 ILE 27 -16.449 -4.663 -6.984 233 3HG2 ILE 27 3HG2 ILE 27 -17.268 -3.143 -7.344 234 1HD1 ILE 27 1HD1 ILE 27 -13.167 -5.109 -7.502 235 2HD1 ILE 27 2HD1 ILE 27 -14.614 -5.487 -6.567 236 3HD1 ILE 27 3HD1 ILE 27 -13.067 -5.269 -5.749 237 H LYS 28 H LYS 28 -14.997 -1.154 -9.780 238 HA LYS 28 HA LYS 28 -17.816 -1.026 -10.375 239 1HB LYS 28 2HB LYS 28 -15.854 0.768 -11.771 240 2HB LYS 28 1HB LYS 28 -17.397 1.165 -11.035 241 1HG LYS 28 2HG LYS 28 -14.736 0.760 -9.701 242 2HG LYS 28 1HG LYS 28 -15.732 2.196 -9.686 243 1HD LYS 28 2HD LYS 28 -16.323 -0.425 -8.266 244 2HD LYS 28 1HD LYS 28 -15.858 1.098 -7.520 245 1HE LYS 28 2HE LYS 28 -18.335 0.884 -9.256 246 2HE LYS 28 1HE LYS 28 -18.377 0.576 -7.508 247 1HZ LYS 28 1HZ LYS 28 -17.397 3.038 -8.856 248 2HZ LYS 28 2HZ LYS 28 -17.240 2.730 -7.193 249 3HZ LYS 28 3HZ LYS 28 -18.782 2.900 -7.886 250 H SER 29 H SER 29 -14.947 -1.736 -12.339 251 HA SER 29 HA SER 29 -16.122 -1.677 -14.925 252 1HB SER 29 2HB SER 29 -13.698 -1.888 -14.336 253 2HB SER 29 1HB SER 29 -13.997 -3.550 -13.833 254 HG SER 29 HG SER 29 -14.336 -4.124 -15.884 255 H GLU 30 H GLU 30 -16.403 -4.049 -12.355 256 HA GLU 30 HA GLU 30 -17.930 -5.859 -14.196 257 1HB GLU 30 2HB GLU 30 -15.905 -6.209 -12.099 258 2HB GLU 30 1HB GLU 30 -17.300 -7.262 -11.880 259 1HG GLU 30 2HG GLU 30 -15.961 -6.994 -14.570 260 2HG GLU 30 1HG GLU 30 -15.359 -8.130 -13.361 261 H HIS 31 H HIS 31 -18.046 -3.984 -11.236 262 HA HIS 31 HA HIS 31 -20.838 -4.968 -10.748 263 1HB HIS 31 2HB HIS 31 -18.891 -3.750 -8.759 264 2HB HIS 31 1HB HIS 31 -20.419 -4.544 -8.395 265 HD1 HIS 31 1HD HIS 31 -16.847 -5.220 -9.156 266 HD2 HIS 31 2HD HIS 31 -20.354 -7.428 -8.702 267 HE1 HIS 31 1HE HIS 31 -16.144 -7.638 -8.950 268 HA PRO 32 HA PRO 32 -21.230 -0.552 -11.847 269 1HB PRO 32 2HB PRO 32 -23.757 -0.747 -12.877 270 2HB PRO 32 1HB PRO 32 -22.298 -1.105 -13.813 271 1HG PRO 32 2HG PRO 32 -24.239 -2.959 -12.567 272 2HG PRO 32 1HG PRO 32 -23.305 -3.132 -14.059 273 1HD PRO 32 2HD PRO 32 -22.696 -4.357 -11.665 274 2HD PRO 32 1HD PRO 32 -21.547 -4.080 -12.990 275 H GLY 33 H GLY 33 -23.402 -2.698 -10.106 276 1HA GLY 33 2HA GLY 33 -24.873 -0.491 -8.850 277 2HA GLY 33 1HA GLY 33 -25.090 -2.207 -8.524 278 H LEU 34 H LEU 34 -21.926 -2.150 -8.245 279 HA LEU 34 HA LEU 34 -21.809 -2.229 -5.403 280 1HB LEU 34 2HB LEU 34 -20.086 -2.525 -7.692 281 2HB LEU 34 1HB LEU 34 -19.254 -1.544 -6.493 282 HG LEU 34 HG LEU 34 -18.826 -3.979 -6.200 283 1HD1 LEU 34 1HD1 LEU 34 -19.916 -3.932 -3.724 284 2HD1 LEU 34 2HD1 LEU 34 -20.053 -2.226 -4.149 285 3HD1 LEU 34 3HD1 LEU 34 -18.476 -3.014 -4.164 286 1HD2 LEU 34 1HD2 LEU 34 -20.486 -5.526 -6.115 287 2HD2 LEU 34 2HD2 LEU 34 -21.527 -4.262 -6.768 288 3HD2 LEU 34 3HD2 LEU 34 -21.464 -4.540 -5.028 289 H SER 35 H SER 35 -22.928 -0.187 -4.807 290 HA SER 35 HA SER 35 -21.831 2.420 -5.417 291 1HB SER 35 2HB SER 35 -24.128 2.161 -4.733 292 2HB SER 35 1HB SER 35 -23.656 1.321 -3.259 293 HG SER 35 HG SER 35 -23.450 4.044 -3.936 294 H ILE 36 H ILE 36 -20.984 3.877 -3.566 295 HA ILE 36 HA ILE 36 -18.506 2.986 -2.560 296 HB ILE 36 HB ILE 36 -20.435 5.095 -1.532 297 1HG1 ILE 36 2HG1 ILE 36 -19.736 5.388 -3.884 298 2HG1 ILE 36 1HG1 ILE 36 -19.024 6.633 -2.860 299 1HG2 ILE 36 1HG2 ILE 36 -17.535 4.539 -0.873 300 2HG2 ILE 36 2HG2 ILE 36 -18.885 4.751 0.242 301 3HG2 ILE 36 3HG2 ILE 36 -18.254 6.134 -0.651 302 1HD1 ILE 36 1HD1 ILE 36 -17.668 4.159 -3.963 303 2HD1 ILE 36 2HD1 ILE 36 -16.954 5.165 -2.703 304 3HD1 ILE 36 3HD1 ILE 36 -17.271 5.845 -4.298 305 H GLY 37 H GLY 37 -21.727 2.644 -1.173 306 1HA GLY 37 2HA GLY 37 -21.009 1.973 1.498 307 2HA GLY 37 1HA GLY 37 -22.483 1.435 0.691 308 H ASP 38 H ASP 38 -22.000 -0.342 -1.049 309 HA ASP 38 HA ASP 38 -20.853 -2.619 0.312 310 1HB ASP 38 2HB ASP 38 -22.708 -2.309 -1.559 311 2HB ASP 38 1HB ASP 38 -21.336 -2.531 -2.645 312 H THR 39 H THR 39 -19.627 -0.352 -2.098 313 HA THR 39 HA THR 39 -17.351 -1.864 -2.989 314 HB THR 39 HB THR 39 -17.825 1.125 -2.750 315 HG1 THR 39 1HG THR 39 -18.648 0.933 -4.773 316 1HG2 THR 39 1HG2 THR 39 -16.181 1.150 -4.712 317 2HG2 THR 39 2HG2 THR 39 -15.767 -0.502 -4.253 318 3HG2 THR 39 3HG2 THR 39 -15.488 0.824 -3.124 319 H ALA 40 H ALA 40 -17.928 0.107 -0.130 320 HA ALA 40 HA ALA 40 -15.121 0.280 0.660 321 1HB ALA 40 1HB ALA 40 -16.135 1.207 2.727 322 2HB ALA 40 2HB ALA 40 -17.725 0.684 2.172 323 3HB ALA 40 3HB ALA 40 -16.848 1.932 1.286 324 H LYS 41 H LYS 41 -17.925 -1.675 1.698 325 HA LYS 41 HA LYS 41 -16.262 -3.255 3.533 326 1HB LYS 41 2HB LYS 41 -18.396 -4.309 4.098 327 2HB LYS 41 1HB LYS 41 -18.585 -2.561 4.047 328 1HG LYS 41 2HG LYS 41 -19.306 -2.966 1.562 329 2HG LYS 41 1HG LYS 41 -19.558 -4.627 2.086 330 1HD LYS 41 2HD LYS 41 -21.645 -3.374 2.311 331 2HD LYS 41 1HD LYS 41 -21.036 -3.809 3.907 332 1HE LYS 41 2HE LYS 41 -19.871 -1.281 3.233 333 2HE LYS 41 1HE LYS 41 -21.611 -1.182 2.896 334 1HZ LYS 41 1HZ LYS 41 -20.364 -2.181 5.403 335 2HZ LYS 41 2HZ LYS 41 -22.030 -2.202 5.070 336 3HZ LYS 41 3HZ LYS 41 -21.209 -0.722 5.220 337 H LYS 42 H LYS 42 -17.089 -3.478 0.186 338 HA LYS 42 HA LYS 42 -17.038 -6.395 -0.003 339 1HB LYS 42 2HB LYS 42 -18.227 -4.948 -1.607 340 2HB LYS 42 1HB LYS 42 -16.705 -4.182 -2.060 341 1HG LYS 42 2HG LYS 42 -17.337 -5.898 -3.705 342 2HG LYS 42 1HG LYS 42 -15.858 -6.365 -2.864 343 1HD LYS 42 2HD LYS 42 -16.851 -8.145 -1.835 344 2HD LYS 42 1HD LYS 42 -18.364 -7.277 -1.579 345 1HE LYS 42 2HE LYS 42 -19.272 -8.051 -3.528 346 2HE LYS 42 1HE LYS 42 -17.744 -7.887 -4.414 347 1HZ LYS 42 1HZ LYS 42 -18.415 -10.233 -3.988 348 2HZ LYS 42 2HZ LYS 42 -18.236 -9.941 -2.325 349 3HZ LYS 42 3HZ LYS 42 -16.893 -9.831 -3.360 350 H LEU 43 H LEU 43 -14.773 -3.879 -1.203 351 HA LEU 43 HA LEU 43 -12.602 -5.463 -1.937 352 1HB LEU 43 2HB LEU 43 -12.765 -2.753 -0.600 353 2HB LEU 43 1HB LEU 43 -11.265 -3.395 -1.268 354 HG LEU 43 HG LEU 43 -13.784 -3.280 -2.923 355 1HD1 LEU 43 1HD1 LEU 43 -13.031 -1.118 -3.799 356 2HD1 LEU 43 2HD1 LEU 43 -11.655 -1.129 -2.695 357 3HD1 LEU 43 3HD1 LEU 43 -13.295 -0.998 -2.059 358 1HD2 LEU 43 1HD2 LEU 43 -10.818 -3.300 -3.572 359 2HD2 LEU 43 2HD2 LEU 43 -12.117 -3.248 -4.763 360 3HD2 LEU 43 3HD2 LEU 43 -11.921 -4.667 -3.734 361 H GLY 44 H GLY 44 -13.680 -4.759 1.336 362 1HA GLY 44 2HA GLY 44 -11.214 -5.496 2.664 363 2HA GLY 44 1HA GLY 44 -12.803 -5.383 3.428 364 H GLU 45 H GLU 45 -14.142 -7.217 1.669 365 HA GLU 45 HA GLU 45 -13.815 -9.695 2.974 366 1HB GLU 45 2HB GLU 45 -15.502 -8.600 1.135 367 2HB GLU 45 1HB GLU 45 -14.627 -9.746 0.120 368 1HG GLU 45 2HG GLU 45 -15.213 -11.587 1.566 369 2HG GLU 45 1HG GLU 45 -15.902 -10.490 2.765 370 H MET 46 H MET 46 -12.257 -8.516 0.001 371 HA MET 46 HA MET 46 -10.890 -11.031 -0.572 372 1HB MET 46 2HB MET 46 -10.600 -8.164 -1.524 373 2HB MET 46 1HB MET 46 -9.688 -9.511 -2.210 374 1HG MET 46 2HG MET 46 -12.000 -10.640 -2.532 375 2HG MET 46 1HG MET 46 -12.663 -9.023 -2.290 376 1HE MET 46 1HE MET 46 -9.937 -11.050 -4.500 377 2HE MET 46 2HE MET 46 -10.940 -10.876 -5.938 378 3HE MET 46 3HE MET 46 -11.635 -11.546 -4.464 379 H TRP 47 H TRP 47 -9.843 -7.844 0.671 380 HA TRP 47 HA TRP 47 -7.120 -8.309 1.118 381 1HB TRP 47 2HB TRP 47 -8.490 -6.208 1.457 382 2HB TRP 47 1HB TRP 47 -9.008 -6.875 3.006 383 HD1 TRP 47 HD TRP 47 -7.582 -6.138 4.963 384 HE1 TRP 47 1HE TRP 47 -5.141 -5.380 5.297 385 HE3 TRP 47 3HE TRP 47 -5.846 -6.620 0.184 386 HZ2 TRP 47 2HZ TRP 47 -2.766 -5.025 3.744 387 HZ3 TRP 47 3HZ TRP 47 -3.492 -6.066 -0.360 388 HH2 TRP 47 HH TRP 47 -1.951 -5.271 1.413 389 H SER 48 H SER 48 -9.732 -8.898 3.521 390 HA SER 48 HA SER 48 -8.106 -10.071 5.539 391 1HB SER 48 2HB SER 48 -10.485 -9.275 5.704 392 2HB SER 48 1HB SER 48 -10.983 -10.707 4.810 393 HG SER 48 HG SER 48 -10.474 -11.951 6.492 394 H GLU 49 H GLU 49 -9.681 -11.518 2.705 395 HA GLU 49 HA GLU 49 -9.254 -14.275 3.346 396 1HB GLU 49 2HB GLU 49 -9.898 -12.584 1.009 397 2HB GLU 49 1HB GLU 49 -9.131 -14.119 0.604 398 1HG GLU 49 2HG GLU 49 -11.509 -13.894 2.466 399 2HG GLU 49 1HG GLU 49 -11.661 -14.202 0.736 400 H GLN 50 H GLN 50 -7.203 -11.887 1.685 401 HA GLN 50 HA GLN 50 -5.110 -13.585 0.791 402 1HB GLN 50 2HB GLN 50 -5.142 -10.726 1.805 403 2HB GLN 50 1HB GLN 50 -3.771 -11.449 0.961 404 1HG GLN 50 2HG GLN 50 -6.499 -11.606 -0.279 405 2HG GLN 50 1HG GLN 50 -5.583 -10.103 -0.399 406 1HE2 GLN 50 1HE2 GLN 50 -4.686 -10.107 -2.478 407 2HE2 GLN 50 2HE2 GLN 50 -3.836 -11.409 -3.158 408 H SER 51 H SER 51 -3.059 -14.080 1.752 409 HA SER 51 HA SER 51 -3.147 -14.307 4.728 410 1HB SER 51 2HB SER 51 -1.324 -15.640 2.701 411 2HB SER 51 1HB SER 51 -1.595 -16.132 4.371 412 HG SER 51 HG SER 51 -2.822 -17.147 2.457 413 H ALA 52 H ALA 52 -0.216 -14.695 4.837 414 HA ALA 52 HA ALA 52 0.575 -11.854 4.948 415 1HB ALA 52 1HB ALA 52 2.578 -12.868 6.064 416 2HB ALA 52 2HB ALA 52 1.923 -14.467 5.710 417 3HB ALA 52 3HB ALA 52 1.058 -13.381 6.798 418 H LYS 53 H LYS 53 0.211 -12.445 2.292 419 HA LYS 53 HA LYS 53 3.019 -12.646 1.257 420 1HB LYS 53 2HB LYS 53 0.834 -14.447 0.913 421 2HB LYS 53 1HB LYS 53 1.060 -13.626 -0.630 422 1HG LYS 53 2HG LYS 53 3.575 -14.137 -0.318 423 2HG LYS 53 1HG LYS 53 3.050 -15.284 0.917 424 1HD LYS 53 2HD LYS 53 1.573 -16.377 -0.754 425 2HD LYS 53 1HD LYS 53 2.169 -15.263 -1.986 426 1HE LYS 53 2HE LYS 53 4.110 -16.929 -0.381 427 2HE LYS 53 1HE LYS 53 3.315 -17.596 -1.820 428 1HZ LYS 53 1HZ LYS 53 5.375 -16.463 -2.414 429 2HZ LYS 53 2HZ LYS 53 4.809 -15.028 -1.705 430 3HZ LYS 53 3HZ LYS 53 4.036 -15.663 -3.078 431 H ASP 54 H ASP 54 -0.329 -11.749 0.351 432 HA ASP 54 HA ASP 54 0.394 -9.962 -1.777 433 1HB ASP 54 2HB ASP 54 -1.845 -11.079 -1.196 434 2HB ASP 54 1HB ASP 54 -2.056 -9.791 -0.009 435 H LYS 55 H LYS 55 0.273 -9.554 1.708 436 HA LYS 55 HA LYS 55 0.246 -6.625 1.626 437 1HB LYS 55 2HB LYS 55 -0.727 -7.994 3.455 438 2HB LYS 55 1HB LYS 55 0.881 -8.605 3.840 439 1HG LYS 55 2HG LYS 55 1.644 -6.460 4.533 440 2HG LYS 55 1HG LYS 55 0.259 -5.648 3.801 441 1HD LYS 55 2HD LYS 55 -1.202 -6.323 5.491 442 2HD LYS 55 1HD LYS 55 -0.200 -7.703 5.944 443 1HE LYS 55 2HE LYS 55 0.151 -6.128 7.698 444 2HE LYS 55 1HE LYS 55 1.564 -5.911 6.645 445 1HZ LYS 55 1HZ LYS 55 0.435 -4.137 5.499 446 2HZ LYS 55 2HZ LYS 55 0.455 -3.791 7.162 447 3HZ LYS 55 3HZ LYS 55 -0.965 -4.365 6.427 448 H GLN 56 H GLN 56 2.680 -9.183 2.002 449 HA GLN 56 HA GLN 56 4.936 -7.884 2.921 450 1HB GLN 56 2HB GLN 56 4.317 -10.069 1.037 451 2HB GLN 56 1HB GLN 56 5.939 -9.399 0.865 452 1HG GLN 56 2HG GLN 56 4.768 -10.253 3.524 453 2HG GLN 56 1HG GLN 56 5.759 -11.308 2.518 454 1HE2 GLN 56 1HE2 GLN 56 8.046 -10.753 2.257 455 2HE2 GLN 56 2HE2 GLN 56 8.802 -9.636 3.287 456 HA PRO 57 HA PRO 57 6.026 -6.002 -1.306 457 1HB PRO 57 2HB PRO 57 4.279 -6.190 -3.385 458 2HB PRO 57 1HB PRO 57 5.492 -7.437 -3.035 459 1HG PRO 57 2HG PRO 57 2.589 -7.410 -2.469 460 2HG PRO 57 1HG PRO 57 3.636 -8.763 -2.916 461 1HD PRO 57 2HD PRO 57 2.743 -8.223 -0.357 462 2HD PRO 57 1HD PRO 57 4.169 -9.204 -0.754 463 H TYR 58 H TYR 58 2.513 -5.910 -0.721 464 HA TYR 58 HA TYR 58 2.292 -3.096 -1.529 465 1HB TYR 58 2HB TYR 58 0.633 -5.350 -1.272 466 2HB TYR 58 1HB TYR 58 0.043 -4.222 -0.053 467 HD1 TYR 58 1HD TYR 58 -1.126 -2.232 -0.665 468 HD2 TYR 58 2HD TYR 58 0.837 -4.596 -3.669 469 HE1 TYR 58 1HE TYR 58 -2.237 -0.902 -2.439 470 HE2 TYR 58 2HE TYR 58 -0.275 -3.265 -5.442 471 HH TYR 58 HH TYR 58 -1.263 -0.817 -5.554 472 H GLU 59 H GLU 59 3.592 -4.377 1.243 473 HA GLU 59 HA GLU 59 2.288 -2.411 3.069 474 1HB GLU 59 2HB GLU 59 3.343 -3.754 4.831 475 2HB GLU 59 1HB GLU 59 2.477 -4.804 3.718 476 1HG GLU 59 2HG GLU 59 4.387 -5.975 3.443 477 2HG GLU 59 1HG GLU 59 5.067 -4.566 2.634 478 H GLN 60 H GLN 60 5.295 -3.036 1.388 479 HA GLN 60 HA GLN 60 6.948 -1.271 3.009 480 1HB GLN 60 2HB GLN 60 8.588 -1.700 1.246 481 2HB GLN 60 1HB GLN 60 7.748 -3.200 1.622 482 1HG GLN 60 2HG GLN 60 6.184 -2.659 -0.322 483 2HG GLN 60 1HG GLN 60 7.319 -1.385 -0.762 484 1HE2 GLN 60 1HE2 GLN 60 9.453 -2.028 -1.537 485 2HE2 GLN 60 2HE2 GLN 60 9.778 -3.627 -2.007 486 H LYS 61 H LYS 61 4.738 -0.838 0.341 487 HA LYS 61 HA LYS 61 5.704 1.598 -0.785 488 1HB LYS 61 2HB LYS 61 3.957 0.163 -1.762 489 2HB LYS 61 1HB LYS 61 2.888 0.518 -0.406 490 1HG LYS 61 2HG LYS 61 2.550 2.737 -1.084 491 2HG LYS 61 1HG LYS 61 4.014 2.761 -2.067 492 1HD LYS 61 2HD LYS 61 2.887 0.983 -3.526 493 2HD LYS 61 1HD LYS 61 1.397 1.371 -2.665 494 1HE LYS 61 2HE LYS 61 1.597 3.735 -3.361 495 2HE LYS 61 1HE LYS 61 3.095 3.348 -4.230 496 1HZ LYS 61 1HZ LYS 61 0.470 2.035 -4.695 497 2HZ LYS 61 2HZ LYS 61 1.908 1.734 -5.547 498 3HZ LYS 61 3HZ LYS 61 1.135 3.240 -5.685 499 H ALA 62 H ALA 62 3.516 1.016 1.986 500 HA ALA 62 HA ALA 62 3.053 3.837 2.505 501 1HB ALA 62 1HB ALA 62 1.405 2.365 3.292 502 2HB ALA 62 2HB ALA 62 2.309 2.720 4.764 503 3HB ALA 62 3HB ALA 62 2.592 1.210 3.897 504 H ALA 63 H ALA 63 5.744 1.779 3.078 505 HA ALA 63 HA ALA 63 6.670 3.125 5.521 506 1HB ALA 63 1HB ALA 63 8.419 1.525 5.402 507 2HB ALA 63 2HB ALA 63 8.251 1.353 3.655 508 3HB ALA 63 3HB ALA 63 7.022 0.684 4.729 509 H LYS 64 H LYS 64 6.483 4.155 2.363 510 HA LYS 64 HA LYS 64 9.135 5.527 2.376 511 1HB LYS 64 2HB LYS 64 7.046 4.806 0.316 512 2HB LYS 64 1HB LYS 64 8.302 5.990 -0.040 513 1HG LYS 64 2HG LYS 64 8.835 3.174 0.945 514 2HG LYS 64 1HG LYS 64 8.917 3.668 -0.747 515 1HD LYS 64 2HD LYS 64 10.545 5.518 0.145 516 2HD LYS 64 1HD LYS 64 10.712 4.447 1.537 517 1HE LYS 64 2HE LYS 64 10.962 3.250 -1.204 518 2HE LYS 64 1HE LYS 64 12.333 4.165 -0.545 519 1HZ LYS 64 1HZ LYS 64 10.887 1.983 0.865 520 2HZ LYS 64 2HZ LYS 64 12.212 2.855 1.471 521 3HZ LYS 64 3HZ LYS 64 12.409 1.828 0.133 522 H LEU 65 H LEU 65 5.650 6.017 2.341 523 HA LEU 65 HA LEU 65 5.839 8.937 2.054 524 1HB LEU 65 2HB LEU 65 3.711 6.841 2.389 525 2HB LEU 65 1HB LEU 65 3.296 8.537 2.642 526 HG LEU 65 HG LEU 65 4.507 8.922 0.361 527 1HD1 LEU 65 1HD1 LEU 65 4.096 6.835 -1.107 528 2HD1 LEU 65 2HD1 LEU 65 4.033 5.940 0.411 529 3HD1 LEU 65 3HD1 LEU 65 5.501 6.808 -0.040 530 1HD2 LEU 65 1HD2 LEU 65 1.884 7.405 0.328 531 2HD2 LEU 65 2HD2 LEU 65 2.413 8.659 -0.792 532 3HD2 LEU 65 3HD2 LEU 65 2.020 9.077 0.875 533 H LYS 66 H LYS 66 6.520 6.905 4.610 534 HA LYS 66 HA LYS 66 5.212 8.522 6.719 535 1HB LYS 66 2HB LYS 66 5.485 5.952 6.618 536 2HB LYS 66 1HB LYS 66 7.178 6.242 7.021 537 1HG LYS 66 2HG LYS 66 6.592 7.297 9.096 538 2HG LYS 66 1HG LYS 66 4.884 7.346 8.659 539 1HD LYS 66 2HD LYS 66 4.781 4.894 8.691 540 2HD LYS 66 1HD LYS 66 6.501 4.814 9.076 541 1HE LYS 66 2HE LYS 66 6.151 5.863 11.225 542 2HE LYS 66 1HE LYS 66 4.462 6.237 10.823 543 1HZ LYS 66 1HZ LYS 66 4.025 3.879 10.576 544 2HZ LYS 66 2HZ LYS 66 4.628 4.196 12.133 545 3HZ LYS 66 3HZ LYS 66 5.636 3.508 10.951 546 H GLU 67 H GLU 67 8.376 7.933 5.273 547 HA GLU 67 HA GLU 67 9.823 9.526 7.276 548 1HB GLU 67 2HB GLU 67 10.424 8.010 4.751 549 2HB GLU 67 1HB GLU 67 11.632 9.122 5.399 550 1HG GLU 67 2HG GLU 67 11.392 7.942 7.623 551 2HG GLU 67 1HG GLU 67 10.397 6.738 6.803 552 H LYS 68 H LYS 68 8.010 10.195 4.431 553 HA LYS 68 HA LYS 68 9.446 12.773 3.961 554 1HB LYS 68 2HB LYS 68 7.770 10.869 2.385 555 2HB LYS 68 1HB LYS 68 7.661 12.576 1.955 556 1HG LYS 68 2HG LYS 68 9.435 11.792 0.615 557 2HG LYS 68 1HG LYS 68 10.258 12.529 1.991 558 1HD LYS 68 2HD LYS 68 10.302 10.242 3.070 559 2HD LYS 68 1HD LYS 68 9.714 9.584 1.544 560 1HE LYS 68 2HE LYS 68 12.194 11.318 1.668 561 2HE LYS 68 1HE LYS 68 12.265 9.554 1.864 562 1HZ LYS 68 1HZ LYS 68 10.943 10.958 -0.399 563 2HZ LYS 68 2HZ LYS 68 11.110 9.277 -0.214 564 3HZ LYS 68 3HZ LYS 68 12.481 10.246 -0.477 565 H TYR 69 H TYR 69 6.409 11.334 4.977 566 HA TYR 69 HA TYR 69 4.842 13.794 4.888 567 1HB TYR 69 2HB TYR 69 3.773 11.638 4.660 568 2HB TYR 69 1HB TYR 69 4.523 11.045 6.138 569 HD1 TYR 69 1HD TYR 69 2.652 14.201 5.299 570 HD2 TYR 69 2HD TYR 69 2.908 10.701 7.775 571 HE1 TYR 69 1HE TYR 69 0.701 14.987 6.614 572 HE2 TYR 69 2HE TYR 69 0.959 11.488 9.090 573 HH TYR 69 HH TYR 69 -0.049 14.185 9.443 574 H GLU 70 H GLU 70 6.157 11.802 7.573 575 HA GLU 70 HA GLU 70 5.529 13.661 9.661 576 1HB GLU 70 2HB GLU 70 7.515 11.408 9.326 577 2HB GLU 70 1HB GLU 70 7.339 12.275 10.853 578 1HG GLU 70 2HG GLU 70 4.856 11.755 10.736 579 2HG GLU 70 1HG GLU 70 5.224 10.680 9.387 580 H LYS 71 H LYS 71 8.000 13.803 7.243 581 HA LYS 71 HA LYS 71 9.642 15.666 8.907 582 1HB LYS 71 2HB LYS 71 10.407 13.518 7.536 583 2HB LYS 71 1HB LYS 71 10.428 14.665 6.196 584 1HG LYS 71 2HG LYS 71 12.045 16.039 7.249 585 2HG LYS 71 1HG LYS 71 11.780 15.288 8.823 586 1HD LYS 71 2HD LYS 71 12.780 13.672 6.481 587 2HD LYS 71 1HD LYS 71 13.894 14.590 7.495 588 1HE LYS 71 2HE LYS 71 12.664 13.393 9.486 589 2HE LYS 71 1HE LYS 71 12.185 12.227 8.237 590 1HZ LYS 71 1HZ LYS 71 14.966 13.163 8.707 591 2HZ LYS 71 2HZ LYS 71 14.475 11.993 7.577 592 3HZ LYS 71 3HZ LYS 71 14.349 11.678 9.242 593 H ASP 72 H ASP 72 7.725 15.476 5.932 594 HA ASP 72 HA ASP 72 8.510 18.234 5.162 595 1HB ASP 72 2HB ASP 72 8.304 16.161 3.639 596 2HB ASP 72 1HB ASP 72 6.560 16.391 3.779 597 H ILE 73 H ILE 73 5.646 16.446 6.309 598 HA ILE 73 HA ILE 73 3.727 18.514 5.844 599 HB ILE 73 HB ILE 73 3.483 15.998 6.450 600 1HG1 ILE 73 2HG1 ILE 73 1.268 16.577 7.686 601 2HG1 ILE 73 1HG1 ILE 73 1.754 18.254 7.436 602 1HG2 ILE 73 1HG2 ILE 73 3.265 17.079 9.264 603 2HG2 ILE 73 2HG2 ILE 73 4.745 16.329 8.668 604 3HG2 ILE 73 3HG2 ILE 73 3.249 15.397 8.735 605 1HD1 ILE 73 1HD1 ILE 73 0.306 17.407 5.591 606 2HD1 ILE 73 2HD1 ILE 73 1.522 16.180 5.234 607 3HD1 ILE 73 3HD1 ILE 73 1.905 17.889 5.022 608 H ALA 74 H ALA 74 6.180 18.180 8.305 609 HA ALA 74 HA ALA 74 5.037 19.873 10.332 610 1HB ALA 74 1HB ALA 74 7.341 19.919 11.161 611 2HB ALA 74 2HB ALA 74 7.943 19.395 9.589 612 3HB ALA 74 3HB ALA 74 6.974 18.298 10.572 613 H ALA 75 H ALA 75 7.268 20.548 7.623 614 HA ALA 75 HA ALA 75 7.237 23.444 8.148 615 1HB ALA 75 1HB ALA 75 8.662 23.397 6.056 616 2HB ALA 75 2HB ALA 75 8.395 21.655 5.987 617 3HB ALA 75 3HB ALA 75 9.257 22.362 7.353 618 H TYR 76 H TYR 76 5.611 21.139 6.048 619 HA TYR 76 HA TYR 76 4.608 22.970 4.071 620 1HB TYR 76 2HB TYR 76 4.705 20.448 3.983 621 2HB TYR 76 1HB TYR 76 3.361 20.410 5.125 622 HD1 TYR 76 1HD TYR 76 1.115 20.993 4.450 623 HD2 TYR 76 2HD TYR 76 4.398 21.380 1.707 624 HE1 TYR 76 1HE TYR 76 -0.484 21.302 2.580 625 HE2 TYR 76 2HE TYR 76 2.799 21.689 -0.164 626 HH TYR 76 HH TYR 76 -0.319 20.865 -0.069 627 H ARG 77 H ARG 77 3.263 21.797 7.159 628 HA ARG 77 HA ARG 77 0.725 23.127 6.970 629 1HB ARG 77 2HB ARG 77 2.467 22.042 9.181 630 2HB ARG 77 1HB ARG 77 0.948 22.855 9.561 631 1HG ARG 77 2HG ARG 77 -0.129 21.273 7.838 632 2HG ARG 77 1HG ARG 77 1.365 20.341 7.942 633 1HD ARG 77 2HD ARG 77 0.986 19.724 10.166 634 2HD ARG 77 1HD ARG 77 -0.069 21.118 10.474 635 HE ARG 77 HE ARG 77 -1.830 20.012 9.199 636 1HH1 ARG 77 1HH1 ARG 77 -0.743 17.891 11.148 637 2HH1 ARG 77 2HH1 ARG 77 -0.668 16.509 10.105 638 1HH2 ARG 77 1HH2 ARG 77 -0.960 18.362 7.189 639 2HH2 ARG 77 2HH2 ARG 77 -0.791 16.776 7.865 640 H ALA 78 H ALA 78 3.235 24.026 9.346 641 HA ALA 78 HA ALA 78 3.883 26.141 10.173 642 1HB ALA 78 1HB ALA 78 4.551 27.638 8.456 643 2HB ALA 78 2HB ALA 78 3.247 27.121 7.387 644 3HB ALA 78 3HB ALA 78 4.616 26.051 7.690 645 H LYS 79 H LYS 79 1.251 25.566 10.812 646 HA LYS 79 HA LYS 79 -0.403 27.920 10.071 647 1HB LYS 79 2HB LYS 79 -0.764 25.181 11.123 648 2HB LYS 79 1HB LYS 79 -1.897 26.376 11.749 649 1HG LYS 79 2HG LYS 79 -2.430 27.049 9.413 650 2HG LYS 79 1HG LYS 79 -1.361 25.775 8.826 651 1HD LYS 79 2HD LYS 79 -2.734 24.085 9.994 652 2HD LYS 79 1HD LYS 79 -3.811 25.361 10.565 653 1HE LYS 79 2HE LYS 79 -3.256 24.978 7.614 654 2HE LYS 79 1HE LYS 79 -4.563 24.109 8.443 655 1HZ LYS 79 1HZ LYS 79 -5.355 26.248 9.303 656 2HZ LYS 79 2HZ LYS 79 -5.391 26.204 7.605 657 3HZ LYS 79 3HZ LYS 79 -4.160 27.053 8.410 Start of MODEL 10 1 1H MET 1 1HT MET 1 -8.842 23.409 1.467 2 2H MET 1 2HT MET 1 -9.999 23.440 2.713 3 3H MET 1 3HT MET 1 -10.384 24.051 1.175 4 HA MET 1 HA MET 1 -11.400 21.885 1.438 5 1HB MET 1 2HB MET 1 -9.962 22.879 -0.634 6 2HB MET 1 1HB MET 1 -9.092 21.369 -0.365 7 1HG MET 1 2HG MET 1 -10.934 20.053 -0.883 8 2HG MET 1 1HG MET 1 -12.087 21.312 -0.439 9 1HE MET 1 1HE MET 1 -13.287 22.879 -2.714 10 2HE MET 1 2HE MET 1 -13.491 21.331 -1.897 11 3HE MET 1 3HE MET 1 -13.402 21.385 -3.656 12 H LYS 2 H LYS 2 -10.412 19.444 0.947 13 HA LYS 2 HA LYS 2 -9.029 18.724 3.441 14 1HB LYS 2 2HB LYS 2 -10.445 17.374 1.173 15 2HB LYS 2 1HB LYS 2 -9.360 16.404 2.169 16 1HG LYS 2 2HG LYS 2 -11.501 16.226 3.204 17 2HG LYS 2 1HG LYS 2 -10.592 17.369 4.194 18 1HD LYS 2 2HD LYS 2 -11.788 19.210 3.406 19 2HD LYS 2 1HD LYS 2 -12.264 18.391 1.917 20 1HE LYS 2 2HE LYS 2 -13.417 16.791 3.854 21 2HE LYS 2 1HE LYS 2 -13.587 18.420 4.537 22 1HZ LYS 2 1HZ LYS 2 -14.324 17.609 1.774 23 2HZ LYS 2 2HZ LYS 2 -14.439 19.184 2.401 24 3HZ LYS 2 3HZ LYS 2 -15.414 17.943 3.030 25 H LYS 3 H LYS 3 -8.449 18.011 -0.027 26 HA LYS 3 HA LYS 3 -5.819 16.976 0.271 27 1HB LYS 3 2HB LYS 3 -7.492 16.977 -1.713 28 2HB LYS 3 1HB LYS 3 -6.794 18.546 -2.118 29 1HG LYS 3 2HG LYS 3 -4.560 17.551 -2.249 30 2HG LYS 3 1HG LYS 3 -5.211 15.983 -1.769 31 1HD LYS 3 2HD LYS 3 -6.713 16.082 -3.798 32 2HD LYS 3 1HD LYS 3 -5.820 17.515 -4.310 33 1HE LYS 3 2HE LYS 3 -3.707 16.188 -4.265 34 2HE LYS 3 1HE LYS 3 -4.655 14.744 -3.852 35 1HZ LYS 3 1HZ LYS 3 -4.348 14.937 -6.255 36 2HZ LYS 3 2HZ LYS 3 -5.086 16.468 -6.237 37 3HZ LYS 3 3HZ LYS 3 -5.985 15.082 -5.836 38 H LYS 4 H LYS 4 -4.276 18.171 1.362 39 HA LYS 4 HA LYS 4 -4.074 21.007 1.460 40 1HB LYS 4 2HB LYS 4 -2.199 18.689 1.904 41 2HB LYS 4 1HB LYS 4 -1.629 20.349 2.088 42 1HG LYS 4 2HG LYS 4 -3.280 20.802 3.791 43 2HG LYS 4 1HG LYS 4 -4.071 19.251 3.506 44 1HD LYS 4 2HD LYS 4 -2.279 18.030 4.446 45 2HD LYS 4 1HD LYS 4 -1.171 19.398 4.324 46 1HE LYS 4 2HE LYS 4 -1.792 19.281 6.640 47 2HE LYS 4 1HE LYS 4 -2.762 20.606 5.967 48 1HZ LYS 4 1HZ LYS 4 -4.164 19.065 7.196 49 2HZ LYS 4 2HZ LYS 4 -3.631 17.774 6.228 50 3HZ LYS 4 3HZ LYS 4 -4.552 19.029 5.546 51 H ASP 5 H ASP 5 -1.614 18.965 -0.131 52 HA ASP 5 HA ASP 5 -1.803 20.489 -2.648 53 1HB ASP 5 2HB ASP 5 0.227 20.938 -0.502 54 2HB ASP 5 1HB ASP 5 0.788 20.997 -2.173 55 HA PRO 6 HA PRO 6 0.057 16.817 -4.226 56 1HB PRO 6 2HB PRO 6 1.712 17.709 -6.212 57 2HB PRO 6 1HB PRO 6 -0.057 17.714 -6.356 58 1HG PRO 6 2HG PRO 6 1.796 19.954 -5.727 59 2HG PRO 6 1HG PRO 6 0.326 19.946 -6.712 60 1HD PRO 6 2HD PRO 6 0.431 20.895 -4.154 61 2HD PRO 6 1HD PRO 6 -1.042 20.244 -4.906 62 H ASN 7 H ASN 7 2.548 19.382 -3.955 63 HA ASN 7 HA ASN 7 4.694 17.472 -3.437 64 1HB ASN 7 2HB ASN 7 4.442 20.487 -3.218 65 2HB ASN 7 1HB ASN 7 5.964 19.610 -3.057 66 1HD2 ASN 7 1HD2 ASN 7 6.921 20.431 -5.019 67 2HD2 ASN 7 2HD2 ASN 7 6.316 20.039 -6.556 68 H ALA 8 H ALA 8 2.234 18.767 -1.439 69 HA ALA 8 HA ALA 8 3.838 18.880 1.029 70 1HB ALA 8 1HB ALA 8 1.927 20.388 0.586 71 2HB ALA 8 2HB ALA 8 1.612 19.391 2.006 72 3HB ALA 8 3HB ALA 8 0.854 18.994 0.463 73 HA PRO 9 HA PRO 9 3.311 14.549 1.821 74 1HB PRO 9 2HB PRO 9 3.696 14.513 4.529 75 2HB PRO 9 1HB PRO 9 5.021 14.702 3.366 76 1HG PRO 9 2HG PRO 9 3.613 16.767 4.984 77 2HG PRO 9 1HG PRO 9 5.334 16.618 4.591 78 1HD PRO 9 2HD PRO 9 3.662 18.345 3.317 79 2HD PRO 9 1HD PRO 9 5.089 17.622 2.541 80 H LYS 10 H LYS 10 1.055 14.352 1.356 81 HA LYS 10 HA LYS 10 -1.052 15.233 3.089 82 1HB LYS 10 2HB LYS 10 -0.663 13.628 0.677 83 2HB LYS 10 1HB LYS 10 -2.035 13.093 1.641 84 1HG LYS 10 2HG LYS 10 -3.197 15.056 1.319 85 2HG LYS 10 1HG LYS 10 -1.730 16.027 1.193 86 1HD LYS 10 2HD LYS 10 -2.748 15.931 -1.002 87 2HD LYS 10 1HD LYS 10 -1.290 14.939 -1.035 88 1HE LYS 10 2HE LYS 10 -2.982 13.010 -0.327 89 2HE LYS 10 1HE LYS 10 -4.160 14.080 -1.113 90 1HZ LYS 10 1HZ LYS 10 -2.670 14.229 -3.027 91 2HZ LYS 10 2HZ LYS 10 -3.142 12.622 -2.743 92 3HZ LYS 10 3HZ LYS 10 -1.592 13.149 -2.288 93 H ARG 11 H ARG 11 -2.676 13.171 3.713 94 HA ARG 11 HA ARG 11 -1.711 12.038 6.091 95 1HB ARG 11 2HB ARG 11 -3.882 11.449 4.122 96 2HB ARG 11 1HB ARG 11 -3.582 10.257 5.388 97 1HG ARG 11 2HG ARG 11 -4.125 11.753 7.106 98 2HG ARG 11 1HG ARG 11 -3.828 13.170 6.098 99 1HD ARG 11 2HD ARG 11 -5.826 12.461 4.689 100 2HD ARG 11 1HD ARG 11 -6.188 11.270 5.954 101 HE ARG 11 HE ARG 11 -6.309 13.183 7.565 102 1HH1 ARG 11 1HH1 ARG 11 -8.327 13.404 5.184 103 2HH1 ARG 11 2HH1 ARG 11 -8.253 15.111 4.896 104 1HH2 ARG 11 1HH2 ARG 11 -5.372 15.571 6.770 105 2HH2 ARG 11 2HH2 ARG 11 -6.581 16.337 5.794 106 HA PRO 12 HA PRO 12 1.039 8.911 4.497 107 1HB PRO 12 2HB PRO 12 1.483 7.524 6.810 108 2HB PRO 12 1HB PRO 12 2.239 9.091 6.461 109 1HG PRO 12 2HG PRO 12 -0.081 8.456 8.201 110 2HG PRO 12 1HG PRO 12 1.201 9.656 8.414 111 1HD PRO 12 2HD PRO 12 -1.334 10.244 7.543 112 2HD PRO 12 1HD PRO 12 0.100 11.234 7.197 113 HA PRO 13 HA PRO 13 -2.060 5.690 4.058 114 1HB PRO 13 2HB PRO 13 -0.850 4.307 2.041 115 2HB PRO 13 1HB PRO 13 -1.728 5.825 1.776 116 1HG PRO 13 2HG PRO 13 1.171 5.309 1.800 117 2HG PRO 13 1HG PRO 13 0.251 6.563 0.962 118 1HD PRO 13 2HD PRO 13 1.742 6.866 3.331 119 2HD PRO 13 1HD PRO 13 0.616 8.043 2.627 120 H SER 14 H SER 14 -1.924 3.155 3.987 121 HA SER 14 HA SER 14 0.521 2.006 5.176 122 1HB SER 14 2HB SER 14 -0.771 3.144 7.013 123 2HB SER 14 1HB SER 14 -2.117 2.060 6.675 124 HG SER 14 HG SER 14 -0.406 1.500 8.357 125 H ALA 15 H ALA 15 -0.122 1.017 2.872 126 HA ALA 15 HA ALA 15 -0.715 -0.922 1.722 127 1HB ALA 15 1HB ALA 15 -1.807 -2.488 3.887 128 2HB ALA 15 2HB ALA 15 -0.367 -1.642 4.453 129 3HB ALA 15 3HB ALA 15 -0.272 -2.699 3.046 130 H PHE 16 H PHE 16 -3.190 -1.120 4.312 131 HA PHE 16 HA PHE 16 -5.396 -1.723 2.727 132 1HB PHE 16 2HB PHE 16 -5.065 -1.488 5.280 133 2HB PHE 16 1HB PHE 16 -5.505 0.203 5.048 134 HD1 PHE 16 1HD PHE 16 -7.742 0.718 5.400 135 HD2 PHE 16 2HD PHE 16 -6.710 -3.150 3.844 136 HE1 PHE 16 1HE PHE 16 -10.141 0.095 5.354 137 HE2 PHE 16 2HE PHE 16 -9.110 -3.773 3.800 138 HZ PHE 16 HZ PHE 16 -10.826 -2.151 4.555 139 H PHE 17 H PHE 17 -4.203 1.541 3.540 140 HA PHE 17 HA PHE 17 -6.257 3.017 2.188 141 1HB PHE 17 2HB PHE 17 -4.465 3.754 3.891 142 2HB PHE 17 1HB PHE 17 -3.363 3.844 2.517 143 HD1 PHE 17 1HD PHE 17 -6.112 5.439 4.269 144 HD2 PHE 17 2HD PHE 17 -3.916 5.358 0.577 145 HE1 PHE 17 1HE PHE 17 -7.029 7.665 3.674 146 HE2 PHE 17 2HE PHE 17 -4.833 7.585 -0.017 147 HZ PHE 17 HZ PHE 17 -6.389 8.739 1.532 148 H LEU 18 H LEU 18 -3.343 1.393 1.035 149 HA LEU 18 HA LEU 18 -3.435 2.721 -1.600 150 1HB LEU 18 2HB LEU 18 -1.765 0.347 -0.725 151 2HB LEU 18 1HB LEU 18 -1.395 1.513 -1.988 152 HG LEU 18 HG LEU 18 -1.475 2.066 0.997 153 1HD1 LEU 18 1HD1 LEU 18 0.518 0.848 0.351 154 2HD1 LEU 18 2HD1 LEU 18 0.962 2.534 0.618 155 3HD1 LEU 18 3HD1 LEU 18 0.777 1.919 -1.025 156 1HD2 LEU 18 1HD2 LEU 18 -1.210 3.841 -1.425 157 2HD2 LEU 18 2HD2 LEU 18 -0.389 4.280 0.073 158 3HD2 LEU 18 3HD2 LEU 18 -2.145 4.108 0.046 159 H PHE 19 H PHE 19 -4.424 -0.320 -0.112 160 HA PHE 19 HA PHE 19 -4.833 -1.758 -2.612 161 1HB PHE 19 2HB PHE 19 -4.341 -2.763 -0.375 162 2HB PHE 19 1HB PHE 19 -5.922 -2.220 0.184 163 HD1 PHE 19 1HD PHE 19 -8.004 -3.095 -0.941 164 HD2 PHE 19 2HD PHE 19 -4.104 -4.723 -1.711 165 HE1 PHE 19 1HE PHE 19 -9.044 -5.133 -1.899 166 HE2 PHE 19 2HE PHE 19 -5.144 -6.760 -2.669 167 HZ PHE 19 HZ PHE 19 -7.613 -6.965 -2.763 168 H CYS 20 H CYS 20 -7.104 -0.416 -0.181 169 HA CYS 20 HA CYS 20 -9.486 -0.866 -1.710 170 1HB CYS 20 2HB CYS 20 -9.147 -0.317 0.780 171 2HB CYS 20 1HB CYS 20 -9.008 1.368 0.277 172 HG CYS 20 HG CYS 20 -11.482 0.681 -0.960 173 H SER 21 H SER 21 -7.220 1.851 -1.577 174 HA SER 21 HA SER 21 -8.796 3.688 -3.155 175 1HB SER 21 2HB SER 21 -6.959 4.333 -1.643 176 2HB SER 21 1HB SER 21 -5.810 3.467 -2.659 177 HG SER 21 HG SER 21 -7.348 5.766 -3.275 178 H GLU 22 H GLU 22 -6.809 0.944 -4.017 179 HA GLU 22 HA GLU 22 -6.762 1.842 -6.869 180 1HB GLU 22 2HB GLU 22 -5.047 0.144 -5.113 181 2HB GLU 22 1HB GLU 22 -5.024 -0.146 -6.851 182 1HG GLU 22 2HG GLU 22 -4.562 2.559 -5.558 183 2HG GLU 22 1HG GLU 22 -3.275 1.485 -6.108 184 H TYR 23 H TYR 23 -8.133 -0.530 -4.720 185 HA TYR 23 HA TYR 23 -8.688 -2.466 -6.884 186 1HB TYR 23 2HB TYR 23 -8.917 -2.295 -3.920 187 2HB TYR 23 1HB TYR 23 -10.038 -3.381 -4.737 188 HD1 TYR 23 1HD TYR 23 -9.341 -5.554 -5.225 189 HD2 TYR 23 2HD TYR 23 -6.399 -2.459 -4.760 190 HE1 TYR 23 1HE TYR 23 -7.535 -7.231 -5.499 191 HE2 TYR 23 2HE TYR 23 -4.591 -4.136 -5.033 192 HH TYR 23 HH TYR 23 -5.128 -7.461 -4.851 193 H ARG 24 H ARG 24 -10.428 0.004 -5.025 194 HA ARG 24 HA ARG 24 -13.096 -0.607 -5.524 195 1HB ARG 24 2HB ARG 24 -11.580 2.001 -5.459 196 2HB ARG 24 1HB ARG 24 -13.340 1.934 -5.574 197 1HG ARG 24 2HG ARG 24 -13.558 0.866 -3.476 198 2HG ARG 24 1HG ARG 24 -11.853 0.421 -3.431 199 1HD ARG 24 2HD ARG 24 -11.559 2.291 -2.162 200 2HD ARG 24 1HD ARG 24 -11.806 3.212 -3.659 201 HE ARG 24 HE ARG 24 -14.359 2.833 -2.999 202 1HH1 ARG 24 1HH1 ARG 24 -13.113 5.381 -2.095 203 2HH1 ARG 24 2HH1 ARG 24 -13.404 5.355 -0.388 204 1HH2 ARG 24 1HH2 ARG 24 -14.122 1.963 -0.294 205 2HH2 ARG 24 2HH2 ARG 24 -13.975 3.420 0.631 206 HA PRO 25 HA PRO 25 -12.906 1.690 -9.812 207 1HB PRO 25 2HB PRO 25 -10.434 1.703 -11.022 208 2HB PRO 25 1HB PRO 25 -11.070 3.058 -10.065 209 1HG PRO 25 2HG PRO 25 -9.223 0.860 -9.223 210 2HG PRO 25 1HG PRO 25 -9.097 2.606 -8.930 211 1HD PRO 25 2HD PRO 25 -9.986 1.005 -7.026 212 2HD PRO 25 1HD PRO 25 -10.762 2.581 -7.287 213 H LYS 26 H LYS 26 -10.843 -1.018 -8.962 214 HA LYS 26 HA LYS 26 -11.104 -2.500 -11.447 215 1HB LYS 26 2HB LYS 26 -9.466 -2.736 -9.425 216 2HB LYS 26 1HB LYS 26 -10.782 -3.645 -8.674 217 1HG LYS 26 2HG LYS 26 -9.819 -4.322 -11.451 218 2HG LYS 26 1HG LYS 26 -9.012 -4.980 -10.027 219 1HD LYS 26 2HD LYS 26 -11.383 -5.681 -9.256 220 2HD LYS 26 1HD LYS 26 -11.858 -5.401 -10.932 221 1HE LYS 26 2HE LYS 26 -10.472 -7.128 -11.746 222 2HE LYS 26 1HE LYS 26 -9.470 -7.137 -10.280 223 1HZ LYS 26 1HZ LYS 26 -11.384 -7.872 -9.008 224 2HZ LYS 26 2HZ LYS 26 -11.065 -8.969 -10.266 225 3HZ LYS 26 3HZ LYS 26 -12.350 -7.866 -10.402 226 H ILE 27 H ILE 27 -12.730 -2.563 -8.292 227 HA ILE 27 HA ILE 27 -14.629 -4.617 -8.730 228 HB ILE 27 HB ILE 27 -14.806 -2.017 -7.160 229 1HG1 ILE 27 2HG1 ILE 27 -12.855 -3.459 -6.579 230 2HG1 ILE 27 1HG1 ILE 27 -14.010 -3.332 -5.259 231 1HG2 ILE 27 1HG2 ILE 27 -16.412 -3.347 -5.719 232 2HG2 ILE 27 2HG2 ILE 27 -16.452 -4.552 -7.006 233 3HG2 ILE 27 3HG2 ILE 27 -17.025 -2.913 -7.314 234 1HD1 ILE 27 1HD1 ILE 27 -13.814 -5.635 -7.219 235 2HD1 ILE 27 2HD1 ILE 27 -14.990 -5.503 -5.912 236 3HD1 ILE 27 3HD1 ILE 27 -13.272 -5.657 -5.541 237 H LYS 28 H LYS 28 -14.693 -1.183 -9.640 238 HA LYS 28 HA LYS 28 -17.469 -1.109 -10.400 239 1HB LYS 28 2HB LYS 28 -15.338 0.651 -11.612 240 2HB LYS 28 1HB LYS 28 -16.986 1.072 -11.181 241 1HG LYS 28 2HG LYS 28 -14.552 0.884 -9.458 242 2HG LYS 28 1HG LYS 28 -15.750 2.151 -9.528 243 1HD LYS 28 2HD LYS 28 -16.051 -0.562 -8.194 244 2HD LYS 28 1HD LYS 28 -15.954 1.005 -7.408 245 1HE LYS 28 2HE LYS 28 -18.134 0.495 -9.436 246 2HE LYS 28 1HE LYS 28 -18.325 -0.033 -7.754 247 1HZ LYS 28 1HZ LYS 28 -17.589 2.708 -8.636 248 2HZ LYS 28 2HZ LYS 28 -17.740 2.197 -7.023 249 3HZ LYS 28 3HZ LYS 28 -19.105 2.241 -8.034 250 H SER 29 H SER 29 -14.488 -1.742 -12.234 251 HA SER 29 HA SER 29 -15.549 -1.725 -14.865 252 1HB SER 29 2HB SER 29 -13.149 -1.852 -14.162 253 2HB SER 29 1HB SER 29 -13.411 -3.529 -13.688 254 HG SER 29 HG SER 29 -13.471 -4.100 -15.731 255 H GLU 30 H GLU 30 -15.863 -4.124 -12.326 256 HA GLU 30 HA GLU 30 -17.233 -5.972 -14.254 257 1HB GLU 30 2HB GLU 30 -15.277 -6.266 -12.084 258 2HB GLU 30 1HB GLU 30 -16.638 -7.374 -11.922 259 1HG GLU 30 2HG GLU 30 -15.210 -7.035 -14.558 260 2HG GLU 30 1HG GLU 30 -14.622 -8.163 -13.336 261 H HIS 31 H HIS 31 -17.551 -4.151 -11.279 262 HA HIS 31 HA HIS 31 -20.322 -5.249 -10.926 263 1HB HIS 31 2HB HIS 31 -18.515 -4.000 -8.828 264 2HB HIS 31 1HB HIS 31 -20.023 -4.862 -8.549 265 HD1 HIS 31 1HD HIS 31 -16.397 -5.388 -9.233 266 HD2 HIS 31 2HD HIS 31 -19.824 -7.727 -8.830 267 HE1 HIS 31 1HE HIS 31 -15.606 -7.780 -9.005 268 HA PRO 32 HA PRO 32 -20.822 -0.831 -11.976 269 1HB PRO 32 2HB PRO 32 -23.290 -1.098 -13.124 270 2HB PRO 32 1HB PRO 32 -21.777 -1.391 -13.996 271 1HG PRO 32 2HG PRO 32 -23.705 -3.330 -12.863 272 2HG PRO 32 1HG PRO 32 -22.704 -3.446 -14.317 273 1HD PRO 32 2HD PRO 32 -22.150 -4.691 -11.921 274 2HD PRO 32 1HD PRO 32 -20.954 -4.343 -13.188 275 H GLY 33 H GLY 33 -23.023 -3.076 -10.398 276 1HA GLY 33 2HA GLY 33 -24.626 -0.950 -9.174 277 2HA GLY 33 1HA GLY 33 -24.783 -2.678 -8.873 278 H LEU 34 H LEU 34 -21.671 -2.566 -8.434 279 HA LEU 34 HA LEU 34 -21.658 -2.646 -5.600 280 1HB LEU 34 2HB LEU 34 -19.830 -2.837 -7.824 281 2HB LEU 34 1HB LEU 34 -19.083 -1.871 -6.560 282 HG LEU 34 HG LEU 34 -18.613 -4.318 -6.341 283 1HD1 LEU 34 1HD1 LEU 34 -20.007 -2.709 -4.243 284 2HD1 LEU 34 2HD1 LEU 34 -18.336 -3.270 -4.306 285 3HD1 LEU 34 3HD1 LEU 34 -19.627 -4.395 -3.890 286 1HD2 LEU 34 1HD2 LEU 34 -21.298 -4.894 -5.255 287 2HD2 LEU 34 2HD2 LEU 34 -20.251 -5.896 -6.260 288 3HD2 LEU 34 3HD2 LEU 34 -21.260 -4.655 -7.002 289 H SER 35 H SER 35 -22.863 -0.639 -5.016 290 HA SER 35 HA SER 35 -21.804 2.004 -5.541 291 1HB SER 35 2HB SER 35 -23.651 0.895 -3.402 292 2HB SER 35 1HB SER 35 -23.417 2.611 -3.720 293 HG SER 35 HG SER 35 -24.539 0.618 -5.385 294 H ILE 36 H ILE 36 -21.325 3.387 -3.367 295 HA ILE 36 HA ILE 36 -18.765 2.638 -2.398 296 HB ILE 36 HB ILE 36 -20.907 4.433 -1.207 297 1HG1 ILE 36 2HG1 ILE 36 -20.245 5.043 -3.507 298 2HG1 ILE 36 1HG1 ILE 36 -19.657 6.235 -2.354 299 1HG2 ILE 36 1HG2 ILE 36 -18.836 5.583 -0.205 300 2HG2 ILE 36 2HG2 ILE 36 -17.967 4.096 -0.586 301 3HG2 ILE 36 3HG2 ILE 36 -19.329 4.058 0.533 302 1HD1 ILE 36 1HD1 ILE 36 -18.064 4.027 -3.684 303 2HD1 ILE 36 2HD1 ILE 36 -17.449 4.986 -2.338 304 3HD1 ILE 36 3HD1 ILE 36 -17.844 5.767 -3.869 305 H GLY 37 H GLY 37 -21.996 2.062 -1.019 306 1HA GLY 37 2HA GLY 37 -21.214 1.056 1.519 307 2HA GLY 37 1HA GLY 37 -22.692 0.590 0.675 308 H ASP 38 H ASP 38 -22.048 -0.849 -1.399 309 HA ASP 38 HA ASP 38 -20.996 -3.338 -0.368 310 1HB ASP 38 2HB ASP 38 -21.619 -2.297 -3.150 311 2HB ASP 38 1HB ASP 38 -21.232 -3.980 -2.798 312 H THR 39 H THR 39 -19.645 -0.805 -2.491 313 HA THR 39 HA THR 39 -17.198 -2.125 -3.169 314 HB THR 39 HB THR 39 -17.830 0.813 -2.779 315 HG1 THR 39 1HG THR 39 -17.993 -0.940 -4.997 316 1HG2 THR 39 1HG2 THR 39 -15.560 -0.642 -4.144 317 2HG2 THR 39 2HG2 THR 39 -15.459 0.623 -2.920 318 3HG2 THR 39 3HG2 THR 39 -15.987 1.019 -4.556 319 H ALA 40 H ALA 40 -18.218 -0.477 -0.247 320 HA ALA 40 HA ALA 40 -15.503 -0.280 0.862 321 1HB ALA 40 1HB ALA 40 -18.276 0.108 2.038 322 2HB ALA 40 2HB ALA 40 -17.269 1.372 1.331 323 3HB ALA 40 3HB ALA 40 -16.769 0.577 2.823 324 H LYS 41 H LYS 41 -18.452 -2.174 1.618 325 HA LYS 41 HA LYS 41 -17.027 -3.830 3.554 326 1HB LYS 41 2HB LYS 41 -19.210 -4.896 3.819 327 2HB LYS 41 1HB LYS 41 -19.396 -3.146 3.779 328 1HG LYS 41 2HG LYS 41 -19.861 -3.409 1.272 329 2HG LYS 41 1HG LYS 41 -20.003 -5.134 1.585 330 1HD LYS 41 2HD LYS 41 -22.222 -4.205 1.714 331 2HD LYS 41 1HD LYS 41 -21.715 -4.587 3.358 332 1HE LYS 41 2HE LYS 41 -20.801 -1.978 3.025 333 2HE LYS 41 1HE LYS 41 -22.364 -1.979 2.184 334 1HZ LYS 41 1HZ LYS 41 -21.861 -3.026 4.921 335 2HZ LYS 41 2HZ LYS 41 -23.351 -3.077 4.106 336 3HZ LYS 41 3HZ LYS 41 -22.672 -1.584 4.549 337 H LYS 42 H LYS 42 -17.373 -3.991 0.120 338 HA LYS 42 HA LYS 42 -17.235 -6.931 -0.037 339 1HB LYS 42 2HB LYS 42 -18.386 -5.376 -1.662 340 2HB LYS 42 1HB LYS 42 -16.795 -4.813 -2.171 341 1HG LYS 42 2HG LYS 42 -17.416 -6.500 -3.725 342 2HG LYS 42 1HG LYS 42 -16.271 -7.284 -2.632 343 1HD LYS 42 2HD LYS 42 -19.067 -7.397 -1.701 344 2HD LYS 42 1HD LYS 42 -18.794 -8.238 -3.223 345 1HE LYS 42 2HE LYS 42 -16.628 -8.812 -1.384 346 2HE LYS 42 1HE LYS 42 -18.187 -9.193 -0.639 347 1HZ LYS 42 1HZ LYS 42 -17.253 -10.070 -3.318 348 2HZ LYS 42 2HZ LYS 42 -18.820 -10.329 -2.714 349 3HZ LYS 42 3HZ LYS 42 -17.485 -11.060 -1.961 350 H LEU 43 H LEU 43 -15.077 -4.309 -1.201 351 HA LEU 43 HA LEU 43 -12.776 -5.826 -1.720 352 1HB LEU 43 2HB LEU 43 -13.234 -3.010 -0.729 353 2HB LEU 43 1HB LEU 43 -11.623 -3.592 -1.151 354 HG LEU 43 HG LEU 43 -14.008 -3.722 -3.015 355 1HD1 LEU 43 1HD1 LEU 43 -11.730 -1.887 -3.542 356 2HD1 LEU 43 2HD1 LEU 43 -12.835 -1.405 -2.255 357 3HD1 LEU 43 3HD1 LEU 43 -13.447 -1.679 -3.885 358 1HD2 LEU 43 1HD2 LEU 43 -11.958 -3.929 -4.644 359 2HD2 LEU 43 2HD2 LEU 43 -12.483 -5.348 -3.736 360 3HD2 LEU 43 3HD2 LEU 43 -11.087 -4.419 -3.192 361 H GLY 44 H GLY 44 -14.089 -4.878 1.390 362 1HA GLY 44 2HA GLY 44 -11.679 -5.220 2.938 363 2HA GLY 44 1HA GLY 44 -13.321 -5.223 3.583 364 H GLU 45 H GLU 45 -14.347 -7.391 2.043 365 HA GLU 45 HA GLU 45 -13.702 -9.638 3.643 366 1HB GLU 45 2HB GLU 45 -15.717 -9.237 2.170 367 2HB GLU 45 1HB GLU 45 -14.706 -9.640 0.782 368 1HG GLU 45 2HG GLU 45 -14.188 -11.841 1.898 369 2HG GLU 45 1HG GLU 45 -15.394 -11.439 3.120 370 H MET 46 H MET 46 -12.278 -8.536 0.589 371 HA MET 46 HA MET 46 -10.688 -10.941 0.149 372 1HB MET 46 2HB MET 46 -10.643 -8.107 -0.929 373 2HB MET 46 1HB MET 46 -9.592 -9.387 -1.537 374 1HG MET 46 2HG MET 46 -11.503 -10.720 -2.206 375 2HG MET 46 1HG MET 46 -12.615 -9.581 -1.447 376 1HE MET 46 1HE MET 46 -12.874 -10.494 -4.594 377 2HE MET 46 2HE MET 46 -11.166 -10.867 -4.374 378 3HE MET 46 3HE MET 46 -11.660 -9.753 -5.647 379 H TRP 47 H TRP 47 -9.887 -7.613 1.212 380 HA TRP 47 HA TRP 47 -7.154 -7.822 1.685 381 1HB TRP 47 2HB TRP 47 -8.656 -5.829 1.959 382 2HB TRP 47 1HB TRP 47 -9.177 -6.492 3.510 383 HD1 TRP 47 HD TRP 47 -7.855 -5.644 5.497 384 HE1 TRP 47 1HE TRP 47 -5.487 -4.699 5.883 385 HE3 TRP 47 3HE TRP 47 -5.967 -6.038 0.768 386 HZ2 TRP 47 2HZ TRP 47 -3.107 -4.179 4.383 387 HZ3 TRP 47 3HZ TRP 47 -3.650 -5.312 0.275 388 HH2 TRP 47 HH TRP 47 -2.219 -4.384 2.075 389 H SER 48 H SER 48 -9.753 -8.972 3.864 390 HA SER 48 HA SER 48 -7.853 -9.834 5.924 391 1HB SER 48 2HB SER 48 -10.215 -8.995 6.270 392 2HB SER 48 1HB SER 48 -10.790 -10.492 5.541 393 HG SER 48 HG SER 48 -9.772 -10.012 8.037 394 H GLU 49 H GLU 49 -9.484 -11.264 3.157 395 HA GLU 49 HA GLU 49 -9.239 -14.036 3.846 396 1HB GLU 49 2HB GLU 49 -9.635 -12.361 1.414 397 2HB GLU 49 1HB GLU 49 -9.120 -14.026 1.148 398 1HG GLU 49 2HG GLU 49 -10.998 -14.821 2.554 399 2HG GLU 49 1HG GLU 49 -11.526 -13.153 2.775 400 H GLN 50 H GLN 50 -7.036 -11.822 2.117 401 HA GLN 50 HA GLN 50 -5.027 -13.786 1.477 402 1HB GLN 50 2HB GLN 50 -3.631 -11.746 1.119 403 2HB GLN 50 1HB GLN 50 -5.223 -11.598 0.376 404 1HG GLN 50 2HG GLN 50 -5.784 -9.849 1.695 405 2HG GLN 50 1HG GLN 50 -5.225 -10.671 3.151 406 1HE2 GLN 50 1HE2 GLN 50 -2.636 -10.818 3.192 407 2HE2 GLN 50 2HE2 GLN 50 -1.837 -9.377 2.788 408 H SER 51 H SER 51 -2.755 -13.660 2.479 409 HA SER 51 HA SER 51 -2.655 -12.868 5.325 410 1HB SER 51 2HB SER 51 -2.409 -15.743 4.384 411 2HB SER 51 1HB SER 51 -2.170 -15.188 6.039 412 HG SER 51 HG SER 51 -4.407 -15.934 4.971 413 H ALA 52 H ALA 52 -0.761 -11.699 5.136 414 HA ALA 52 HA ALA 52 1.514 -11.215 4.716 415 1HB ALA 52 1HB ALA 52 2.954 -12.969 5.431 416 2HB ALA 52 2HB ALA 52 1.845 -14.216 4.862 417 3HB ALA 52 3HB ALA 52 1.440 -13.259 6.287 418 H LYS 53 H LYS 53 -0.062 -11.476 2.338 419 HA LYS 53 HA LYS 53 2.032 -12.466 0.446 420 1HB LYS 53 2HB LYS 53 -0.865 -13.227 0.707 421 2HB LYS 53 1HB LYS 53 -0.104 -13.264 -0.884 422 1HG LYS 53 2HG LYS 53 1.415 -14.933 -0.263 423 2HG LYS 53 1HG LYS 53 1.255 -14.575 1.456 424 1HD LYS 53 2HD LYS 53 -0.715 -15.767 1.666 425 2HD LYS 53 1HD LYS 53 -1.179 -15.496 -0.014 426 1HE LYS 53 2HE LYS 53 1.283 -17.125 0.487 427 2HE LYS 53 1HE LYS 53 -0.295 -17.886 0.780 428 1HZ LYS 53 1HZ LYS 53 0.529 -16.463 -1.697 429 2HZ LYS 53 2HZ LYS 53 -1.017 -17.106 -1.408 430 3HZ LYS 53 3HZ LYS 53 0.327 -18.139 -1.535 431 H ASP 54 H ASP 54 -1.271 -11.229 -0.079 432 HA ASP 54 HA ASP 54 -0.533 -9.432 -2.172 433 1HB ASP 54 2HB ASP 54 -2.803 -10.417 -1.569 434 2HB ASP 54 1HB ASP 54 -2.902 -9.198 -0.298 435 H LYS 55 H LYS 55 -0.531 -9.035 1.321 436 HA LYS 55 HA LYS 55 -0.364 -6.107 1.222 437 1HB LYS 55 2HB LYS 55 -1.437 -7.386 3.058 438 2HB LYS 55 1HB LYS 55 0.121 -8.114 3.449 439 1HG LYS 55 2HG LYS 55 1.030 -6.057 4.177 440 2HG LYS 55 1HG LYS 55 -0.225 -5.118 3.369 441 1HD LYS 55 2HD LYS 55 -1.127 -5.034 5.469 442 2HD LYS 55 1HD LYS 55 -1.763 -6.617 5.025 443 1HE LYS 55 2HE LYS 55 0.998 -6.543 6.169 444 2HE LYS 55 1HE LYS 55 -0.359 -6.277 7.282 445 1HZ LYS 55 1HZ LYS 55 -0.015 -8.620 7.104 446 2HZ LYS 55 2HZ LYS 55 0.000 -8.553 5.406 447 3HZ LYS 55 3HZ LYS 55 -1.438 -8.249 6.259 448 H GLN 56 H GLN 56 1.882 -8.831 1.558 449 HA GLN 56 HA GLN 56 4.223 -7.704 2.504 450 1HB GLN 56 2HB GLN 56 3.452 -9.817 0.598 451 2HB GLN 56 1HB GLN 56 5.113 -9.252 0.412 452 1HG GLN 56 2HG GLN 56 4.055 -9.869 3.157 453 2HG GLN 56 1HG GLN 56 4.590 -11.186 2.114 454 1HE2 GLN 56 1HE2 GLN 56 5.703 -9.032 4.440 455 2HE2 GLN 56 2HE2 GLN 56 7.355 -9.051 4.048 456 HA PRO 57 HA PRO 57 5.410 -5.805 -1.683 457 1HB PRO 57 2HB PRO 57 3.668 -5.867 -3.771 458 2HB PRO 57 1HB PRO 57 4.806 -7.187 -3.434 459 1HG PRO 57 2HG PRO 57 1.906 -7.008 -2.898 460 2HG PRO 57 1HG PRO 57 2.884 -8.412 -3.335 461 1HD PRO 57 2HD PRO 57 1.984 -7.811 -0.782 462 2HD PRO 57 1HD PRO 57 3.332 -8.903 -1.168 463 H TYR 58 H TYR 58 1.906 -5.550 -1.108 464 HA TYR 58 HA TYR 58 1.817 -2.718 -1.869 465 1HB TYR 58 2HB TYR 58 0.047 -4.926 -1.554 466 2HB TYR 58 1HB TYR 58 -0.512 -3.670 -0.454 467 HD1 TYR 58 1HD TYR 58 -1.319 -1.528 -1.284 468 HD2 TYR 58 2HD TYR 58 0.160 -4.529 -3.979 469 HE1 TYR 58 1HE TYR 58 -2.283 -0.283 -3.201 470 HE2 TYR 58 2HE TYR 58 -0.805 -3.285 -5.894 471 HH TYR 58 HH TYR 58 -2.616 -1.638 -6.290 472 H GLU 59 H GLU 59 3.152 -4.022 0.824 473 HA GLU 59 HA GLU 59 1.900 -2.069 2.710 474 1HB GLU 59 2HB GLU 59 2.946 -3.466 4.444 475 2HB GLU 59 1HB GLU 59 2.007 -4.466 3.347 476 1HG GLU 59 2HG GLU 59 3.855 -5.720 3.021 477 2HG GLU 59 1HG GLU 59 4.570 -4.340 2.191 478 H GLN 60 H GLN 60 4.854 -2.796 0.983 479 HA GLN 60 HA GLN 60 6.607 -1.110 2.581 480 1HB GLN 60 2HB GLN 60 8.178 -1.564 0.749 481 2HB GLN 60 1HB GLN 60 7.318 -3.042 1.167 482 1HG GLN 60 2HG GLN 60 5.650 -2.250 -0.724 483 2HG GLN 60 1HG GLN 60 7.037 -1.311 -1.269 484 1HE2 GLN 60 1HE2 GLN 60 5.894 -3.601 -2.710 485 2HE2 GLN 60 2HE2 GLN 60 7.104 -4.790 -2.779 486 H LYS 61 H LYS 61 4.425 -0.603 -0.116 487 HA LYS 61 HA LYS 61 5.421 1.811 -1.221 488 1HB LYS 61 2HB LYS 61 3.593 0.421 -2.136 489 2HB LYS 61 1HB LYS 61 2.566 0.873 -0.776 490 1HG LYS 61 2HG LYS 61 2.380 3.106 -1.498 491 2HG LYS 61 1HG LYS 61 3.799 2.983 -2.539 492 1HD LYS 61 2HD LYS 61 2.538 1.339 -3.958 493 2HD LYS 61 1HD LYS 61 1.108 1.659 -2.975 494 1HE LYS 61 2HE LYS 61 1.655 4.189 -3.554 495 2HE LYS 61 1HE LYS 61 2.489 3.457 -4.940 496 1HZ LYS 61 1HZ LYS 61 0.523 2.234 -5.497 497 2HZ LYS 61 2HZ LYS 61 0.098 3.873 -5.358 498 3HZ LYS 61 3HZ LYS 61 -0.283 2.785 -4.110 499 H ALA 62 H ALA 62 3.226 1.328 1.564 500 HA ALA 62 HA ALA 62 2.902 4.167 2.088 501 1HB ALA 62 1HB ALA 62 2.227 1.554 3.371 502 2HB ALA 62 2HB ALA 62 1.165 2.889 2.923 503 3HB ALA 62 3HB ALA 62 2.159 3.002 4.376 504 H ALA 63 H ALA 63 5.489 1.988 2.674 505 HA ALA 63 HA ALA 63 6.455 3.265 5.138 506 1HB ALA 63 1HB ALA 63 8.241 1.651 4.907 507 2HB ALA 63 2HB ALA 63 7.859 1.397 3.205 508 3HB ALA 63 3HB ALA 63 6.743 0.841 4.452 509 H LYS 64 H LYS 64 6.436 4.196 1.889 510 HA LYS 64 HA LYS 64 9.106 5.502 1.958 511 1HB LYS 64 2HB LYS 64 6.944 4.979 -0.089 512 2HB LYS 64 1HB LYS 64 8.281 6.075 -0.431 513 1HG LYS 64 2HG LYS 64 8.619 3.204 0.478 514 2HG LYS 64 1HG LYS 64 8.710 3.729 -1.204 515 1HD LYS 64 2HD LYS 64 10.508 5.389 -0.417 516 2HD LYS 64 1HD LYS 64 10.558 4.449 1.075 517 1HE LYS 64 2HE LYS 64 11.057 2.399 -0.241 518 2HE LYS 64 1HE LYS 64 11.060 3.373 -1.725 519 1HZ LYS 64 1HZ LYS 64 12.750 3.925 0.657 520 2HZ LYS 64 2HZ LYS 64 12.790 4.752 -0.827 521 3HZ LYS 64 3HZ LYS 64 13.297 3.133 -0.739 522 H LEU 65 H LEU 65 5.650 6.195 1.955 523 HA LEU 65 HA LEU 65 6.015 9.108 1.773 524 1HB LEU 65 2HB LEU 65 3.773 7.128 1.997 525 2HB LEU 65 1HB LEU 65 3.447 8.827 2.348 526 HG LEU 65 HG LEU 65 4.703 9.276 0.106 527 1HD1 LEU 65 1HD1 LEU 65 5.567 7.126 -0.408 528 2HD1 LEU 65 2HD1 LEU 65 4.187 7.313 -1.491 529 3HD1 LEU 65 3HD1 LEU 65 4.038 6.330 -0.032 530 1HD2 LEU 65 1HD2 LEU 65 2.344 9.756 0.374 531 2HD2 LEU 65 2HD2 LEU 65 1.937 8.042 0.288 532 3HD2 LEU 65 3HD2 LEU 65 2.541 8.878 -1.143 533 H LYS 66 H LYS 66 6.652 7.026 4.251 534 HA LYS 66 HA LYS 66 5.408 8.674 6.394 535 1HB LYS 66 2HB LYS 66 5.243 6.187 6.409 536 2HB LYS 66 1HB LYS 66 7.003 6.088 6.447 537 1HG LYS 66 2HG LYS 66 7.116 6.640 8.654 538 2HG LYS 66 1HG LYS 66 5.826 7.835 8.521 539 1HD LYS 66 2HD LYS 66 4.135 6.081 8.545 540 2HD LYS 66 1HD LYS 66 5.384 4.835 8.535 541 1HE LYS 66 2HE LYS 66 6.224 5.686 10.725 542 2HE LYS 66 1HE LYS 66 4.891 6.859 10.748 543 1HZ LYS 66 1HZ LYS 66 4.305 4.791 11.906 544 2HZ LYS 66 2HZ LYS 66 4.574 3.915 10.475 545 3HZ LYS 66 3HZ LYS 66 3.317 5.056 10.553 546 H GLU 67 H GLU 67 8.509 7.740 4.997 547 HA GLU 67 HA GLU 67 10.242 8.808 7.009 548 1HB GLU 67 2HB GLU 67 10.367 8.021 4.137 549 2HB GLU 67 1HB GLU 67 11.677 9.040 4.733 550 1HG GLU 67 2HG GLU 67 12.265 7.457 6.425 551 2HG GLU 67 1HG GLU 67 10.788 6.529 6.165 552 H LYS 68 H LYS 68 8.949 10.282 3.998 553 HA LYS 68 HA LYS 68 10.201 12.856 4.465 554 1HB LYS 68 2HB LYS 68 9.222 11.693 2.317 555 2HB LYS 68 1HB LYS 68 7.705 12.424 2.835 556 1HG LYS 68 2HG LYS 68 8.605 14.089 1.460 557 2HG LYS 68 1HG LYS 68 9.128 14.607 3.062 558 1HD LYS 68 2HD LYS 68 11.327 13.763 2.735 559 2HD LYS 68 1HD LYS 68 10.839 12.826 1.323 560 1HE LYS 68 2HE LYS 68 10.213 15.114 0.265 561 2HE LYS 68 1HE LYS 68 11.219 15.813 1.549 562 1HZ LYS 68 1HZ LYS 68 12.056 13.670 -0.334 563 2HZ LYS 68 2HZ LYS 68 13.010 14.315 0.915 564 3HZ LYS 68 3HZ LYS 68 12.557 15.289 -0.401 565 H TYR 69 H TYR 69 6.734 11.994 4.487 566 HA TYR 69 HA TYR 69 5.461 14.127 5.564 567 1HB TYR 69 2HB TYR 69 4.513 11.896 5.025 568 2HB TYR 69 1HB TYR 69 5.170 11.269 6.535 569 HD1 TYR 69 1HD TYR 69 2.423 12.994 4.982 570 HD2 TYR 69 2HD TYR 69 4.427 12.383 8.732 571 HE1 TYR 69 1HE TYR 69 0.408 13.789 6.189 572 HE2 TYR 69 2HE TYR 69 2.413 13.179 9.939 573 HH TYR 69 HH TYR 69 -0.381 13.214 9.025 574 H GLU 70 H GLU 70 7.127 11.744 7.676 575 HA GLU 70 HA GLU 70 6.583 13.134 10.136 576 1HB GLU 70 2HB GLU 70 8.562 11.055 9.203 577 2HB GLU 70 1HB GLU 70 8.577 11.643 10.866 578 1HG GLU 70 2HG GLU 70 6.095 11.087 10.959 579 2HG GLU 70 1HG GLU 70 6.312 10.249 9.421 580 H LYS 71 H LYS 71 9.237 13.399 7.799 581 HA LYS 71 HA LYS 71 10.734 15.234 9.592 582 1HB LYS 71 2HB LYS 71 11.538 13.261 8.000 583 2HB LYS 71 1HB LYS 71 11.546 14.549 6.795 584 1HG LYS 71 2HG LYS 71 12.887 15.919 8.506 585 2HG LYS 71 1HG LYS 71 13.116 14.398 9.372 586 1HD LYS 71 2HD LYS 71 13.829 14.818 6.455 587 2HD LYS 71 1HD LYS 71 14.985 14.920 7.784 588 1HE LYS 71 2HE LYS 71 14.676 12.603 8.352 589 2HE LYS 71 1HE LYS 71 13.276 12.465 7.268 590 1HZ LYS 71 1HZ LYS 71 15.372 11.661 6.253 591 2HZ LYS 71 2HZ LYS 71 16.009 13.231 6.386 592 3HZ LYS 71 3HZ LYS 71 14.663 12.938 5.391 593 H ASP 72 H ASP 72 8.678 15.374 6.752 594 HA ASP 72 HA ASP 72 9.535 18.123 6.071 595 1HB ASP 72 2HB ASP 72 8.995 16.225 4.450 596 2HB ASP 72 1HB ASP 72 7.303 16.452 4.897 597 H ILE 73 H ILE 73 6.907 16.515 7.773 598 HA ILE 73 HA ILE 73 5.081 18.784 7.631 599 HB ILE 73 HB ILE 73 4.575 16.282 7.903 600 1HG1 ILE 73 2HG1 ILE 73 2.703 16.862 9.639 601 2HG1 ILE 73 1HG1 ILE 73 3.347 18.500 9.514 602 1HG2 ILE 73 1HG2 ILE 73 4.643 15.293 10.062 603 2HG2 ILE 73 2HG2 ILE 73 4.974 16.837 10.847 604 3HG2 ILE 73 3HG2 ILE 73 6.219 16.061 9.868 605 1HD1 ILE 73 1HD1 ILE 73 2.521 16.824 7.126 606 2HD1 ILE 73 2HD1 ILE 73 2.982 18.527 7.118 607 3HD1 ILE 73 3HD1 ILE 73 1.480 18.023 7.893 608 H ALA 74 H ALA 74 7.772 17.939 9.667 609 HA ALA 74 HA ALA 74 7.040 19.360 12.059 610 1HB ALA 74 1HB ALA 74 8.851 17.710 11.931 611 2HB ALA 74 2HB ALA 74 9.511 19.262 12.449 612 3HB ALA 74 3HB ALA 74 9.723 18.725 10.783 613 H ALA 75 H ALA 75 8.553 20.346 9.018 614 HA ALA 75 HA ALA 75 8.817 23.149 10.009 615 1HB ALA 75 1HB ALA 75 9.871 21.644 7.596 616 2HB ALA 75 2HB ALA 75 10.790 22.130 9.021 617 3HB ALA 75 3HB ALA 75 10.185 23.352 7.902 618 H TYR 76 H TYR 76 6.780 21.162 8.046 619 HA TYR 76 HA TYR 76 5.911 23.042 6.067 620 1HB TYR 76 2HB TYR 76 5.532 20.554 6.136 621 2HB TYR 76 1HB TYR 76 4.351 20.816 7.420 622 HD1 TYR 76 1HD TYR 76 2.134 21.501 6.922 623 HD2 TYR 76 2HD TYR 76 5.169 21.692 3.888 624 HE1 TYR 76 1HE TYR 76 0.403 22.013 5.222 625 HE2 TYR 76 2HE TYR 76 3.439 22.203 2.188 626 HH TYR 76 HH TYR 76 0.661 21.620 2.163 627 H ARG 77 H ARG 77 4.890 22.455 9.417 628 HA ARG 77 HA ARG 77 2.840 24.616 9.187 629 1HB ARG 77 2HB ARG 77 3.423 22.423 11.196 630 2HB ARG 77 1HB ARG 77 2.164 23.636 11.429 631 1HG ARG 77 2HG ARG 77 1.047 22.930 9.377 632 2HG ARG 77 1HG ARG 77 2.342 21.783 9.037 633 1HD ARG 77 2HD ARG 77 1.698 20.338 10.771 634 2HD ARG 77 1HD ARG 77 0.838 21.620 11.646 635 HE ARG 77 HE ARG 77 -0.590 21.571 9.358 636 1HH1 ARG 77 1HH1 ARG 77 -1.393 20.044 11.908 637 2HH1 ARG 77 2HH1 ARG 77 -1.752 18.485 11.245 638 1HH2 ARG 77 1HH2 ARG 77 -0.167 19.110 8.225 639 2HH2 ARG 77 2HH2 ARG 77 -1.058 17.956 9.161 640 H ALA 78 H ALA 78 5.976 24.796 9.601 641 HA ALA 78 HA ALA 78 7.459 26.156 10.836 642 1HB ALA 78 1HB ALA 78 6.575 28.325 11.236 643 2HB ALA 78 2HB ALA 78 4.959 27.695 11.557 644 3HB ALA 78 3HB ALA 78 5.597 27.691 9.913 645 H LYS 79 H LYS 79 7.693 24.338 12.437 646 HA LYS 79 HA LYS 79 6.199 24.677 14.986 647 1HB LYS 79 2HB LYS 79 6.902 22.501 13.560 648 2HB LYS 79 1HB LYS 79 8.323 22.626 14.596 649 1HG LYS 79 2HG LYS 79 7.019 21.419 16.038 650 2HG LYS 79 1HG LYS 79 6.383 23.012 16.442 651 1HD LYS 79 2HD LYS 79 5.176 21.506 14.146 652 2HD LYS 79 1HD LYS 79 4.731 21.059 15.794 653 1HE LYS 79 2HE LYS 79 4.354 23.640 16.117 654 2HE LYS 79 1HE LYS 79 4.237 23.651 14.346 655 1HZ LYS 79 1HZ LYS 79 2.074 23.199 15.250 656 2HZ LYS 79 2HZ LYS 79 2.685 21.942 16.218 657 3HZ LYS 79 3HZ LYS 79 2.659 21.780 14.527 Start of MODEL 11 1 1H MET 1 1HT MET 1 -11.538 22.107 0.217 2 2H MET 1 2HT MET 1 -12.210 23.347 -0.728 3 3H MET 1 3HT MET 1 -10.526 23.139 -0.670 4 HA MET 1 HA MET 1 -12.446 21.174 -1.817 5 1HB MET 1 2HB MET 1 -11.973 23.556 -2.847 6 2HB MET 1 1HB MET 1 -10.433 22.831 -3.314 7 1HG MET 1 2HG MET 1 -11.634 21.002 -4.453 8 2HG MET 1 1HG MET 1 -13.175 21.723 -3.988 9 1HE MET 1 1HE MET 1 -12.802 24.959 -4.513 10 2HE MET 1 2HE MET 1 -14.062 23.728 -4.554 11 3HE MET 1 3HE MET 1 -13.745 24.703 -5.987 12 H LYS 2 H LYS 2 -10.599 20.333 0.104 13 HA LYS 2 HA LYS 2 -8.773 18.871 0.433 14 1HB LYS 2 2HB LYS 2 -9.915 18.338 -2.276 15 2HB LYS 2 1HB LYS 2 -8.396 17.541 -1.864 16 1HG LYS 2 2HG LYS 2 -10.130 16.047 -1.169 17 2HG LYS 2 1HG LYS 2 -9.522 16.805 0.303 18 1HD LYS 2 2HD LYS 2 -11.399 18.208 0.506 19 2HD LYS 2 1HD LYS 2 -11.850 18.004 -1.187 20 1HE LYS 2 2HE LYS 2 -11.945 15.408 -0.243 21 2HE LYS 2 1HE LYS 2 -12.533 16.351 1.141 22 1HZ LYS 2 1HZ LYS 2 -14.318 15.838 -0.451 23 2HZ LYS 2 2HZ LYS 2 -13.472 16.681 -1.659 24 3HZ LYS 2 3HZ LYS 2 -14.060 17.507 -0.297 25 H LYS 3 H LYS 3 -6.573 18.162 -0.822 26 HA LYS 3 HA LYS 3 -4.432 18.918 -1.475 27 1HB LYS 3 2HB LYS 3 -6.021 19.131 -3.535 28 2HB LYS 3 1HB LYS 3 -5.912 20.867 -3.235 29 1HG LYS 3 2HG LYS 3 -3.455 20.748 -3.380 30 2HG LYS 3 1HG LYS 3 -3.553 19.010 -3.667 31 1HD LYS 3 2HD LYS 3 -4.989 20.994 -5.434 32 2HD LYS 3 1HD LYS 3 -3.320 20.513 -5.742 33 1HE LYS 3 2HE LYS 3 -4.063 18.115 -5.777 34 2HE LYS 3 1HE LYS 3 -5.740 18.679 -5.632 35 1HZ LYS 3 1HZ LYS 3 -3.823 19.522 -7.742 36 2HZ LYS 3 2HZ LYS 3 -5.437 20.032 -7.599 37 3HZ LYS 3 3HZ LYS 3 -5.085 18.411 -7.962 38 H LYS 4 H LYS 4 -4.351 19.947 0.769 39 HA LYS 4 HA LYS 4 -4.941 22.691 1.247 40 1HB LYS 4 2HB LYS 4 -3.020 20.671 2.410 41 2HB LYS 4 1HB LYS 4 -3.124 22.310 3.055 42 1HG LYS 4 2HG LYS 4 -5.353 22.030 3.752 43 2HG LYS 4 1HG LYS 4 -5.612 20.654 2.680 44 1HD LYS 4 2HD LYS 4 -5.376 19.642 4.790 45 2HD LYS 4 1HD LYS 4 -3.762 19.493 4.095 46 1HE LYS 4 2HE LYS 4 -4.263 22.013 5.583 47 2HE LYS 4 1HE LYS 4 -4.204 20.536 6.566 48 1HZ LYS 4 1HZ LYS 4 -2.181 21.404 4.568 49 2HZ LYS 4 2HZ LYS 4 -2.153 19.918 5.391 50 3HZ LYS 4 3HZ LYS 4 -1.977 21.372 6.251 51 H ASP 5 H ASP 5 -1.579 21.509 1.150 52 HA ASP 5 HA ASP 5 -0.808 24.036 -0.246 53 1HB ASP 5 2HB ASP 5 0.279 22.281 1.844 54 2HB ASP 5 1HB ASP 5 1.484 22.745 0.643 55 HA PRO 6 HA PRO 6 0.360 21.792 -3.854 56 1HB PRO 6 2HB PRO 6 2.452 23.274 -4.780 57 2HB PRO 6 1HB PRO 6 0.767 23.824 -4.864 58 1HG PRO 6 2HG PRO 6 2.931 24.612 -2.997 59 2HG PRO 6 1HG PRO 6 1.604 25.575 -3.663 60 1HD PRO 6 2HD PRO 6 1.668 24.522 -1.113 61 2HD PRO 6 1HD PRO 6 0.195 25.010 -1.977 62 H ASN 7 H ASN 7 2.687 22.196 -1.296 63 HA ASN 7 HA ASN 7 4.235 19.873 -2.379 64 1HB ASN 7 2HB ASN 7 6.295 21.051 -1.637 65 2HB ASN 7 1HB ASN 7 5.416 21.973 -2.854 66 1HD2 ASN 7 1HD2 ASN 7 4.742 24.077 -2.283 67 2HD2 ASN 7 2HD2 ASN 7 4.872 24.725 -0.720 68 H ALA 8 H ALA 8 2.179 20.494 -0.074 69 HA ALA 8 HA ALA 8 3.829 19.536 2.226 70 1HB ALA 8 1HB ALA 8 2.283 21.621 2.215 71 2HB ALA 8 2HB ALA 8 2.156 20.514 3.582 72 3HB ALA 8 3HB ALA 8 0.958 20.459 2.289 73 HA PRO 9 HA PRO 9 1.872 15.574 1.387 74 1HB PRO 9 2HB PRO 9 2.925 14.197 3.501 75 2HB PRO 9 1HB PRO 9 3.851 14.553 2.031 76 1HG PRO 9 2HG PRO 9 3.901 15.916 4.675 77 2HG PRO 9 1HG PRO 9 5.236 15.536 3.576 78 1HD PRO 9 2HD PRO 9 4.124 18.015 3.787 79 2HD PRO 9 1HD PRO 9 4.890 17.409 2.302 80 H LYS 10 H LYS 10 -0.286 15.415 1.908 81 HA LYS 10 HA LYS 10 -1.062 15.628 4.765 82 1HB LYS 10 2HB LYS 10 -3.095 16.802 3.967 83 2HB LYS 10 1HB LYS 10 -1.625 17.654 3.502 84 1HG LYS 10 2HG LYS 10 -2.185 15.782 1.426 85 2HG LYS 10 1HG LYS 10 -3.700 16.600 1.804 86 1HD LYS 10 2HD LYS 10 -2.828 18.724 1.293 87 2HD LYS 10 1HD LYS 10 -1.157 18.179 1.451 88 1HE LYS 10 2HE LYS 10 -1.606 16.656 -0.563 89 2HE LYS 10 1HE LYS 10 -3.097 17.590 -0.801 90 1HZ LYS 10 1HZ LYS 10 -0.351 18.713 -0.593 91 2HZ LYS 10 2HZ LYS 10 -1.776 19.624 -0.758 92 3HZ LYS 10 3HZ LYS 10 -1.269 18.599 -2.015 93 H ARG 11 H ARG 11 -0.496 13.262 3.101 94 HA ARG 11 HA ARG 11 -2.922 11.729 3.722 95 1HB ARG 11 2HB ARG 11 -2.352 12.832 1.070 96 2HB ARG 11 1HB ARG 11 -2.531 11.078 1.028 97 1HG ARG 11 2HG ARG 11 -4.743 11.147 1.662 98 2HG ARG 11 1HG ARG 11 -4.529 12.607 2.628 99 1HD ARG 11 2HD ARG 11 -4.572 14.016 0.699 100 2HD ARG 11 1HD ARG 11 -4.370 12.636 -0.399 101 HE ARG 11 HE ARG 11 -6.675 12.157 -0.142 102 1HH1 ARG 11 1HH2 ARG 11 -6.560 12.099 2.890 103 2HH1 ARG 11 2HH2 ARG 11 -7.668 13.366 3.298 104 1HH2 ARG 11 1HH1 ARG 11 -7.669 14.752 0.119 105 2HH2 ARG 11 2HH1 ARG 11 -8.296 14.868 1.730 106 HA PRO 12 HA PRO 12 0.978 9.313 3.781 107 1HB PRO 12 2HB PRO 12 0.705 8.292 6.296 108 2HB PRO 12 1HB PRO 12 1.434 9.875 5.970 109 1HG PRO 12 2HG PRO 12 -1.217 9.215 7.069 110 2HG PRO 12 1HG PRO 12 -0.216 10.652 7.300 111 1HD PRO 12 2HD PRO 12 -2.454 10.421 5.613 112 2HD PRO 12 1HD PRO 12 -1.289 11.761 5.659 113 HA PRO 13 HA PRO 13 -1.742 5.819 2.874 114 1HB PRO 13 2HB PRO 13 -0.013 4.476 1.241 115 2HB PRO 13 1HB PRO 13 -0.975 5.862 0.694 116 1HG PRO 13 2HG PRO 13 1.896 5.701 1.349 117 2HG PRO 13 1HG PRO 13 1.051 6.763 0.217 118 1HD PRO 13 2HD PRO 13 1.967 7.454 2.772 119 2HD PRO 13 1HD PRO 13 0.840 8.393 1.774 120 H SER 14 H SER 14 -1.356 3.326 3.051 121 HA SER 14 HA SER 14 0.931 2.421 4.627 122 1HB SER 14 2HB SER 14 -0.371 3.729 6.271 123 2HB SER 14 1HB SER 14 -1.798 2.761 5.913 124 HG SER 14 HG SER 14 -0.990 1.636 7.531 125 H ALA 15 H ALA 15 0.261 1.224 2.339 126 HA ALA 15 HA ALA 15 -0.245 -0.851 1.416 127 1HB ALA 15 1HB ALA 15 0.216 -2.485 2.907 128 2HB ALA 15 2HB ALA 15 -1.325 -2.219 3.719 129 3HB ALA 15 3HB ALA 15 0.101 -1.302 4.207 130 H PHE 16 H PHE 16 -2.731 -0.852 3.998 131 HA PHE 16 HA PHE 16 -4.918 -1.590 2.418 132 1HB PHE 16 2HB PHE 16 -4.608 -1.228 4.959 133 2HB PHE 16 1HB PHE 16 -5.068 0.444 4.641 134 HD1 PHE 16 1HD PHE 16 -7.233 0.735 3.125 135 HD2 PHE 16 2HD PHE 16 -6.299 -2.772 5.424 136 HE1 PHE 16 1HE PHE 16 -9.623 0.078 3.093 137 HE2 PHE 16 2HE PHE 16 -8.691 -3.429 5.390 138 HZ PHE 16 HZ PHE 16 -10.352 -2.004 4.226 139 H PHE 17 H PHE 17 -3.796 1.727 3.131 140 HA PHE 17 HA PHE 17 -5.829 3.140 1.710 141 1HB PHE 17 2HB PHE 17 -3.861 3.846 3.335 142 2HB PHE 17 1HB PHE 17 -2.976 4.077 1.826 143 HD1 PHE 17 1HD PHE 17 -3.347 5.985 0.475 144 HD2 PHE 17 2HD PHE 17 -6.108 5.023 3.621 145 HE1 PHE 17 1HE PHE 17 -4.490 8.159 0.136 146 HE2 PHE 17 2HE PHE 17 -7.252 7.198 3.283 147 HZ PHE 17 HZ PHE 17 -6.442 8.766 1.540 148 H LEU 18 H LEU 18 -2.880 1.525 0.614 149 HA LEU 18 HA LEU 18 -2.934 2.701 -2.062 150 1HB LEU 18 2HB LEU 18 -1.492 0.227 -1.052 151 2HB LEU 18 1HB LEU 18 -1.042 1.229 -2.426 152 HG LEU 18 HG LEU 18 -0.993 2.062 0.497 153 1HD1 LEU 18 1HD1 LEU 18 1.503 2.375 -0.219 154 2HD1 LEU 18 2HD1 LEU 18 1.087 1.266 -1.527 155 3HD1 LEU 18 3HD1 LEU 18 0.917 0.753 0.153 156 1HD2 LEU 18 1HD2 LEU 18 -1.469 4.078 -0.585 157 2HD2 LEU 18 2HD2 LEU 18 -0.682 3.578 -2.082 158 3HD2 LEU 18 3HD2 LEU 18 0.291 4.056 -0.690 159 H PHE 19 H PHE 19 -3.972 -0.343 -0.545 160 HA PHE 19 HA PHE 19 -4.632 -1.724 -2.993 161 1HB PHE 19 2HB PHE 19 -4.213 -2.649 -0.651 162 2HB PHE 19 1HB PHE 19 -5.837 -2.100 -0.239 163 HD1 PHE 19 1HD PHE 19 -3.892 -4.716 -1.737 164 HD2 PHE 19 2HD PHE 19 -7.787 -2.904 -1.726 165 HE1 PHE 19 1HE PHE 19 -4.848 -6.763 -2.761 166 HE2 PHE 19 2HE PHE 19 -8.742 -4.952 -2.750 167 HZ PHE 19 HZ PHE 19 -7.273 -6.881 -3.267 168 H CYS 20 H CYS 20 -6.697 -0.065 -0.573 169 HA CYS 20 HA CYS 20 -9.148 -0.333 -2.057 170 1HB CYS 20 2HB CYS 20 -8.595 0.318 0.429 171 2HB CYS 20 1HB CYS 20 -8.527 1.961 -0.208 172 HG CYS 20 HG CYS 20 -11.006 1.895 -0.723 173 H SER 21 H SER 21 -6.525 1.997 -2.149 174 HA SER 21 HA SER 21 -7.880 4.062 -3.640 175 1HB SER 21 2HB SER 21 -5.066 3.293 -2.963 176 2HB SER 21 1HB SER 21 -5.328 4.537 -4.180 177 HG SER 21 HG SER 21 -5.215 5.474 -2.132 178 H GLU 22 H GLU 22 -6.628 0.966 -4.636 179 HA GLU 22 HA GLU 22 -6.843 1.867 -7.491 180 1HB GLU 22 2HB GLU 22 -4.966 0.344 -7.963 181 2HB GLU 22 1HB GLU 22 -4.521 1.537 -6.747 182 1HG GLU 22 2HG GLU 22 -3.907 -0.168 -5.406 183 2HG GLU 22 1HG GLU 22 -5.608 -0.609 -5.286 184 H TYR 23 H TYR 23 -7.807 -0.538 -5.136 185 HA TYR 23 HA TYR 23 -8.623 -2.474 -7.220 186 1HB TYR 23 2HB TYR 23 -8.421 -2.363 -4.243 187 2HB TYR 23 1HB TYR 23 -9.540 -3.527 -4.947 188 HD1 TYR 23 1HD TYR 23 -8.643 -5.044 -6.842 189 HD2 TYR 23 2HD TYR 23 -6.116 -2.855 -4.148 190 HE1 TYR 23 1HE TYR 23 -6.752 -6.551 -7.393 191 HE2 TYR 23 2HE TYR 23 -4.224 -4.361 -4.697 192 HH TYR 23 HH TYR 23 -4.051 -6.221 -7.293 193 H ARG 24 H ARG 24 -9.972 0.348 -6.552 194 HA ARG 24 HA ARG 24 -12.719 -0.556 -5.990 195 1HB ARG 24 2HB ARG 24 -11.308 2.087 -6.260 196 2HB ARG 24 1HB ARG 24 -13.068 1.982 -6.202 197 1HG ARG 24 2HG ARG 24 -12.952 0.785 -4.062 198 2HG ARG 24 1HG ARG 24 -11.190 0.853 -4.111 199 1HD ARG 24 2HD ARG 24 -11.128 3.097 -3.563 200 2HD ARG 24 1HD ARG 24 -12.658 3.444 -4.392 201 HE ARG 24 HE ARG 24 -12.770 1.738 -1.964 202 1HH1 ARG 24 1HH1 ARG 24 -12.301 4.956 -2.228 203 2HH1 ARG 24 2HH1 ARG 24 -13.846 5.457 -1.630 204 1HH2 ARG 24 1HH2 ARG 24 -15.224 2.277 -1.763 205 2HH2 ARG 24 2HH2 ARG 24 -15.502 3.941 -1.366 206 HA PRO 25 HA PRO 25 -13.283 1.327 -10.390 207 1HB PRO 25 2HB PRO 25 -11.124 1.280 -12.072 208 2HB PRO 25 1HB PRO 25 -11.570 2.687 -11.085 209 1HG PRO 25 2HG PRO 25 -9.469 0.641 -10.626 210 2HG PRO 25 1HG PRO 25 -9.443 2.381 -10.306 211 1HD PRO 25 2HD PRO 25 -9.813 0.500 -8.396 212 2HD PRO 25 1HD PRO 25 -10.454 2.150 -8.263 213 H LYS 26 H LYS 26 -11.353 -1.416 -9.544 214 HA LYS 26 HA LYS 26 -11.826 -3.012 -11.935 215 1HB LYS 26 2HB LYS 26 -10.020 -3.290 -10.149 216 2HB LYS 26 1HB LYS 26 -11.294 -3.880 -9.078 217 1HG LYS 26 2HG LYS 26 -10.957 -5.104 -11.803 218 2HG LYS 26 1HG LYS 26 -9.897 -5.604 -10.485 219 1HD LYS 26 2HD LYS 26 -12.108 -5.877 -9.128 220 2HD LYS 26 1HD LYS 26 -12.885 -5.892 -10.712 221 1HE LYS 26 2HE LYS 26 -11.855 -7.894 -11.348 222 2HE LYS 26 1HE LYS 26 -10.506 -7.673 -10.216 223 1HZ LYS 26 1HZ LYS 26 -12.029 -7.946 -8.374 224 2HZ LYS 26 2HZ LYS 26 -12.117 -9.305 -9.390 225 3HZ LYS 26 3HZ LYS 26 -13.339 -8.126 -9.436 226 H ILE 27 H ILE 27 -13.176 -2.952 -8.636 227 HA ILE 27 HA ILE 27 -15.245 -4.836 -8.842 228 HB ILE 27 HB ILE 27 -15.299 -2.128 -7.453 229 1HG1 ILE 27 2HG1 ILE 27 -13.259 -3.271 -6.780 230 2HG1 ILE 27 1HG1 ILE 27 -14.417 -3.379 -5.468 231 1HG2 ILE 27 1HG2 ILE 27 -16.716 -3.397 -5.792 232 2HG2 ILE 27 2HG2 ILE 27 -16.777 -4.718 -6.958 233 3HG2 ILE 27 3HG2 ILE 27 -17.463 -3.147 -7.370 234 1HD1 ILE 27 1HD1 ILE 27 -13.662 -5.531 -7.442 235 2HD1 ILE 27 2HD1 ILE 27 -15.085 -5.643 -6.404 236 3HD1 ILE 27 3HD1 ILE 27 -13.476 -5.551 -5.688 237 H LYS 28 H LYS 28 -15.086 -1.552 -10.073 238 HA LYS 28 HA LYS 28 -17.934 -1.274 -10.567 239 1HB LYS 28 2HB LYS 28 -15.864 0.311 -12.070 240 2HB LYS 28 1HB LYS 28 -17.393 0.843 -11.387 241 1HG LYS 28 2HG LYS 28 -14.780 0.358 -9.990 242 2HG LYS 28 1HG LYS 28 -15.692 1.847 -10.062 243 1HD LYS 28 2HD LYS 28 -16.432 -0.658 -8.511 244 2HD LYS 28 1HD LYS 28 -15.916 0.886 -7.845 245 1HE LYS 28 2HE LYS 28 -18.385 0.636 -9.593 246 2HE LYS 28 1HE LYS 28 -18.443 0.498 -7.824 247 1HZ LYS 28 1HZ LYS 28 -17.397 2.783 -9.407 248 2HZ LYS 28 2HZ LYS 28 -17.192 2.624 -7.728 249 3HZ LYS 28 3HZ LYS 28 -18.751 2.786 -8.385 250 H SER 29 H SER 29 -15.182 -2.397 -12.471 251 HA SER 29 HA SER 29 -16.401 -2.377 -15.059 252 1HB SER 29 2HB SER 29 -13.967 -2.736 -14.382 253 2HB SER 29 1HB SER 29 -14.413 -4.391 -13.975 254 HG SER 29 HG SER 29 -14.070 -3.187 -16.421 255 H GLU 30 H GLU 30 -16.759 -4.556 -12.328 256 HA GLU 30 HA GLU 30 -18.482 -6.350 -14.009 257 1HB GLU 30 2HB GLU 30 -16.390 -6.748 -11.962 258 2HB GLU 30 1HB GLU 30 -17.815 -7.764 -11.750 259 1HG GLU 30 2HG GLU 30 -16.445 -7.493 -14.427 260 2HG GLU 30 1HG GLU 30 -15.940 -8.700 -13.243 261 H HIS 31 H HIS 31 -18.376 -4.266 -11.216 262 HA HIS 31 HA HIS 31 -21.166 -5.128 -10.513 263 1HB HIS 31 2HB HIS 31 -19.105 -3.955 -8.618 264 2HB HIS 31 1HB HIS 31 -20.640 -4.699 -8.197 265 HD1 HIS 31 1HD HIS 31 -17.113 -5.488 -9.026 266 HD2 HIS 31 2HD HIS 31 -20.669 -7.590 -8.480 267 HE1 HIS 31 1HE HIS 31 -16.472 -7.923 -8.793 268 HA PRO 32 HA PRO 32 -21.379 -0.729 -11.718 269 1HB PRO 32 2HB PRO 32 -23.942 -0.825 -12.664 270 2HB PRO 32 1HB PRO 32 -22.535 -1.281 -13.638 271 1HG PRO 32 2HG PRO 32 -24.521 -3.002 -12.271 272 2HG PRO 32 1HG PRO 32 -23.658 -3.258 -13.794 273 1HD PRO 32 2HD PRO 32 -23.013 -4.457 -11.395 274 2HD PRO 32 1HD PRO 32 -21.901 -4.262 -12.766 275 H GLY 33 H GLY 33 -23.735 -2.708 -9.980 276 1HA GLY 33 2HA GLY 33 -25.038 -0.445 -8.693 277 2HA GLY 33 1HA GLY 33 -25.272 -2.143 -8.293 278 H LEU 34 H LEU 34 -22.167 -2.281 -8.083 279 HA LEU 34 HA LEU 34 -21.919 -2.193 -5.266 280 1HB LEU 34 2HB LEU 34 -20.303 -2.651 -7.611 281 2HB LEU 34 1HB LEU 34 -19.382 -1.681 -6.471 282 HG LEU 34 HG LEU 34 -19.072 -4.132 -6.126 283 1HD1 LEU 34 1HD1 LEU 34 -18.575 -3.139 -4.140 284 2HD1 LEU 34 2HD1 LEU 34 -20.052 -3.939 -3.607 285 3HD1 LEU 34 3HD1 LEU 34 -20.092 -2.242 -4.085 286 1HD2 LEU 34 1HD2 LEU 34 -21.775 -4.313 -6.601 287 2HD2 LEU 34 2HD2 LEU 34 -21.715 -4.454 -4.845 288 3HD2 LEU 34 3HD2 LEU 34 -20.807 -5.583 -5.850 289 H SER 35 H SER 35 -22.894 -0.086 -4.680 290 HA SER 35 HA SER 35 -21.635 2.428 -5.445 291 1HB SER 35 2HB SER 35 -23.520 1.657 -3.193 292 2HB SER 35 1HB SER 35 -23.162 3.310 -3.684 293 HG SER 35 HG SER 35 -24.260 3.018 -5.511 294 H ILE 36 H ILE 36 -20.752 3.909 -3.620 295 HA ILE 36 HA ILE 36 -18.366 2.895 -2.513 296 HB ILE 36 HB ILE 36 -20.160 5.169 -1.602 297 1HG1 ILE 36 2HG1 ILE 36 -19.435 5.334 -3.958 298 2HG1 ILE 36 1HG1 ILE 36 -18.636 6.557 -2.975 299 1HG2 ILE 36 1HG2 ILE 36 -17.391 4.320 -0.807 300 2HG2 ILE 36 2HG2 ILE 36 -18.693 4.959 0.197 301 3HG2 ILE 36 3HG2 ILE 36 -17.780 6.040 -0.858 302 1HD1 ILE 36 1HD1 ILE 36 -16.676 4.958 -2.762 303 2HD1 ILE 36 2HD1 ILE 36 -16.947 5.586 -4.387 304 3HD1 ILE 36 3HD1 ILE 36 -17.462 3.950 -3.977 305 H GLY 37 H GLY 37 -21.640 2.753 -1.244 306 1HA GLY 37 2HA GLY 37 -21.051 2.188 1.488 307 2HA GLY 37 1HA GLY 37 -22.518 1.681 0.649 308 H ASP 38 H ASP 38 -22.086 -0.203 -0.970 309 HA ASP 38 HA ASP 38 -21.030 -2.445 0.535 310 1HB ASP 38 2HB ASP 38 -22.942 -2.280 -1.216 311 2HB ASP 38 1HB ASP 38 -21.655 -2.400 -2.416 312 H THR 39 H THR 39 -19.742 -0.355 -1.988 313 HA THR 39 HA THR 39 -17.562 -2.034 -2.843 314 HB THR 39 HB THR 39 -17.926 0.979 -2.806 315 HG1 THR 39 1HG THR 39 -19.474 -0.316 -3.968 316 1HG2 THR 39 1HG2 THR 39 -16.315 0.740 -4.830 317 2HG2 THR 39 2HG2 THR 39 -15.889 -0.815 -4.115 318 3HG2 THR 39 3HG2 THR 39 -15.624 0.675 -3.209 319 H ALA 40 H ALA 40 -17.940 0.269 -0.187 320 HA ALA 40 HA ALA 40 -15.136 0.331 0.561 321 1HB ALA 40 1HB ALA 40 -16.108 1.376 2.630 322 2HB ALA 40 2HB ALA 40 -17.715 0.969 2.031 323 3HB ALA 40 3HB ALA 40 -16.706 2.109 1.142 324 H LYS 41 H LYS 41 -17.957 -1.557 1.637 325 HA LYS 41 HA LYS 41 -16.301 -3.032 3.587 326 1HB LYS 41 2HB LYS 41 -18.440 -3.971 4.290 327 2HB LYS 41 1HB LYS 41 -18.594 -2.228 4.111 328 1HG LYS 41 2HG LYS 41 -19.437 -2.739 1.722 329 2HG LYS 41 1HG LYS 41 -19.615 -4.398 2.278 330 1HD LYS 41 2HD LYS 41 -21.732 -3.232 2.576 331 2HD LYS 41 1HD LYS 41 -21.035 -3.581 4.157 332 1HE LYS 41 2HE LYS 41 -19.992 -1.048 3.388 333 2HE LYS 41 1HE LYS 41 -21.731 -1.011 3.039 334 1HZ LYS 41 1HZ LYS 41 -20.495 -1.925 5.583 335 2HZ LYS 41 2HZ LYS 41 -22.159 -1.920 5.240 336 3HZ LYS 41 3HZ LYS 41 -21.308 -0.453 5.356 337 H LYS 42 H LYS 42 -17.194 -3.414 0.279 338 HA LYS 42 HA LYS 42 -17.261 -6.336 0.258 339 1HB LYS 42 2HB LYS 42 -18.446 -4.970 -1.402 340 2HB LYS 42 1HB LYS 42 -16.929 -4.232 -1.910 341 1HG LYS 42 2HG LYS 42 -17.600 -6.006 -3.476 342 2HG LYS 42 1HG LYS 42 -16.109 -6.453 -2.643 343 1HD LYS 42 2HD LYS 42 -17.107 -8.156 -1.481 344 2HD LYS 42 1HD LYS 42 -18.636 -7.289 -1.323 345 1HE LYS 42 2HE LYS 42 -19.455 -8.096 -3.319 346 2HE LYS 42 1HE LYS 42 -17.850 -8.154 -4.074 347 1HZ LYS 42 1HZ LYS 42 -18.822 -9.954 -1.917 348 2HZ LYS 42 2HZ LYS 42 -17.267 -9.987 -2.601 349 3HZ LYS 42 3HZ LYS 42 -18.622 -10.384 -3.545 350 H LEU 43 H LEU 43 -14.932 -3.967 -1.115 351 HA LEU 43 HA LEU 43 -12.840 -5.649 -1.837 352 1HB LEU 43 2HB LEU 43 -12.857 -2.906 -0.555 353 2HB LEU 43 1HB LEU 43 -11.408 -3.621 -1.262 354 HG LEU 43 HG LEU 43 -13.966 -3.466 -2.844 355 1HD1 LEU 43 1HD1 LEU 43 -13.527 -1.180 -2.085 356 2HD1 LEU 43 2HD1 LEU 43 -13.114 -1.326 -3.794 357 3HD1 LEU 43 3HD1 LEU 43 -11.838 -1.319 -2.576 358 1HD2 LEU 43 1HD2 LEU 43 -12.417 -3.558 -4.728 359 2HD2 LEU 43 2HD2 LEU 43 -12.042 -4.870 -3.612 360 3HD2 LEU 43 3HD2 LEU 43 -11.038 -3.420 -3.638 361 H GLY 44 H GLY 44 -13.764 -4.725 1.434 362 1HA GLY 44 2HA GLY 44 -11.352 -5.498 2.775 363 2HA GLY 44 1HA GLY 44 -12.947 -5.408 3.527 364 H GLU 45 H GLU 45 -14.207 -7.293 1.720 365 HA GLU 45 HA GLU 45 -13.941 -9.735 3.065 366 1HB GLU 45 2HB GLU 45 -15.595 -8.817 1.241 367 2HB GLU 45 1HB GLU 45 -14.502 -9.617 0.111 368 1HG GLU 45 2HG GLU 45 -16.159 -11.246 0.631 369 2HG GLU 45 1HG GLU 45 -14.746 -11.701 1.583 370 H MET 46 H MET 46 -12.075 -8.576 0.269 371 HA MET 46 HA MET 46 -10.612 -11.124 0.004 372 1HB MET 46 2HB MET 46 -10.496 -8.401 -1.323 373 2HB MET 46 1HB MET 46 -9.432 -9.732 -1.775 374 1HG MET 46 2HG MET 46 -11.343 -11.122 -2.363 375 2HG MET 46 1HG MET 46 -12.460 -9.882 -1.792 376 1HE MET 46 1HE MET 46 -13.313 -10.313 -4.955 377 2HE MET 46 2HE MET 46 -12.228 -11.502 -4.238 378 3HE MET 46 3HE MET 46 -11.786 -10.717 -5.751 379 H TRP 47 H TRP 47 -9.963 -7.790 1.083 380 HA TRP 47 HA TRP 47 -7.182 -7.948 1.548 381 1HB TRP 47 2HB TRP 47 -8.616 -5.921 1.663 382 2HB TRP 47 1HB TRP 47 -9.314 -6.517 3.169 383 HD1 TRP 47 HD TRP 47 -8.173 -5.700 5.279 384 HE1 TRP 47 1HE TRP 47 -5.855 -4.748 5.880 385 HE3 TRP 47 3HE TRP 47 -5.847 -6.106 0.749 386 HZ2 TRP 47 2HZ TRP 47 -3.345 -4.226 4.610 387 HZ3 TRP 47 3HZ TRP 47 -3.495 -5.376 0.474 388 HH2 TRP 47 HH TRP 47 -2.242 -4.438 2.397 389 H SER 48 H SER 48 -9.797 -9.448 3.349 390 HA SER 48 HA SER 48 -8.060 -9.988 5.690 391 1HB SER 48 2HB SER 48 -10.195 -10.973 6.548 392 2HB SER 48 1HB SER 48 -10.387 -9.306 6.011 393 HG SER 48 HG SER 48 -12.027 -10.720 5.210 394 H GLU 49 H GLU 49 -9.534 -11.650 2.933 395 HA GLU 49 HA GLU 49 -9.018 -14.354 3.736 396 1HB GLU 49 2HB GLU 49 -9.408 -12.885 1.129 397 2HB GLU 49 1HB GLU 49 -9.063 -14.615 1.136 398 1HG GLU 49 2HG GLU 49 -11.258 -13.461 2.852 399 2HG GLU 49 1HG GLU 49 -11.550 -13.888 1.166 400 H GLN 50 H GLN 50 -7.041 -11.944 2.045 401 HA GLN 50 HA GLN 50 -4.872 -13.650 1.273 402 1HB GLN 50 2HB GLN 50 -3.651 -11.486 1.116 403 2HB GLN 50 1HB GLN 50 -5.258 -11.384 0.400 404 1HG GLN 50 2HG GLN 50 -6.132 -10.189 2.257 405 2HG GLN 50 1HG GLN 50 -4.753 -10.604 3.275 406 1HE2 GLN 50 1HE2 GLN 50 -5.428 -8.886 0.168 407 2HE2 GLN 50 2HE2 GLN 50 -4.251 -7.686 0.410 408 H SER 51 H SER 51 -2.832 -13.981 2.313 409 HA SER 51 HA SER 51 -2.956 -13.861 5.294 410 1HB SER 51 2HB SER 51 -2.577 -15.998 3.946 411 2HB SER 51 1HB SER 51 -1.018 -15.325 3.476 412 HG SER 51 HG SER 51 -1.941 -15.768 6.130 413 H ALA 52 H ALA 52 -0.032 -14.106 5.514 414 HA ALA 52 HA ALA 52 0.661 -11.252 5.340 415 1HB ALA 52 1HB ALA 52 2.099 -13.746 6.304 416 2HB ALA 52 2HB ALA 52 1.239 -12.575 7.303 417 3HB ALA 52 3HB ALA 52 2.731 -12.110 6.487 418 H LYS 53 H LYS 53 0.306 -11.974 2.751 419 HA LYS 53 HA LYS 53 3.099 -12.252 1.692 420 1HB LYS 53 2HB LYS 53 0.585 -13.758 1.148 421 2HB LYS 53 1HB LYS 53 1.610 -13.403 -0.243 422 1HG LYS 53 2HG LYS 53 3.532 -14.435 0.878 423 2HG LYS 53 1HG LYS 53 2.550 -14.744 2.310 424 1HD LYS 53 2HD LYS 53 1.277 -16.392 1.246 425 2HD LYS 53 1HD LYS 53 1.650 -15.779 -0.366 426 1HE LYS 53 2HE LYS 53 3.831 -16.709 -0.345 427 2HE LYS 53 1HE LYS 53 3.812 -16.925 1.417 428 1HZ LYS 53 1HZ LYS 53 3.324 -19.020 0.356 429 2HZ LYS 53 2HZ LYS 53 2.071 -18.317 -0.549 430 3HZ LYS 53 3HZ LYS 53 1.928 -18.456 1.138 431 H ASP 54 H ASP 54 -0.252 -11.304 0.843 432 HA ASP 54 HA ASP 54 0.479 -9.678 -1.421 433 1HB ASP 54 2HB ASP 54 -1.775 -10.734 -0.682 434 2HB ASP 54 1HB ASP 54 -1.956 -9.295 0.321 435 H LYS 55 H LYS 55 0.287 -9.020 2.040 436 HA LYS 55 HA LYS 55 0.350 -6.110 1.743 437 1HB LYS 55 2HB LYS 55 0.546 -8.133 3.962 438 2HB LYS 55 1HB LYS 55 0.915 -6.440 4.286 439 1HG LYS 55 2HG LYS 55 -1.268 -5.733 3.656 440 2HG LYS 55 1HG LYS 55 -1.636 -7.286 2.906 441 1HD LYS 55 2HD LYS 55 -0.997 -7.065 5.849 442 2HD LYS 55 1HD LYS 55 -2.639 -6.849 5.240 443 1HE LYS 55 2HE LYS 55 -2.861 -9.077 4.653 444 2HE LYS 55 1HE LYS 55 -1.127 -9.266 4.317 445 1HZ LYS 55 1HZ LYS 55 -2.288 -8.821 7.017 446 2HZ LYS 55 2HZ LYS 55 -0.652 -9.104 6.654 447 3HZ LYS 55 3HZ LYS 55 -1.803 -10.333 6.421 448 H GLN 56 H GLN 56 2.723 -8.672 2.407 449 HA GLN 56 HA GLN 56 4.980 -7.337 3.257 450 1HB GLN 56 2HB GLN 56 4.367 -9.669 1.551 451 2HB GLN 56 1HB GLN 56 6.013 -9.056 1.392 452 1HG GLN 56 2HG GLN 56 4.757 -9.550 4.095 453 2HG GLN 56 1HG GLN 56 5.605 -10.824 3.218 454 1HE2 GLN 56 1HE2 GLN 56 7.752 -10.978 3.856 455 2HE2 GLN 56 2HE2 GLN 56 8.726 -9.676 4.340 456 HA PRO 57 HA PRO 57 6.271 -5.919 -1.100 457 1HB PRO 57 2HB PRO 57 4.570 -6.234 -3.203 458 2HB PRO 57 1HB PRO 57 5.724 -7.486 -2.704 459 1HG PRO 57 2HG PRO 57 2.811 -7.296 -2.214 460 2HG PRO 57 1HG PRO 57 3.810 -8.721 -2.522 461 1HD PRO 57 2HD PRO 57 2.893 -7.947 -0.041 462 2HD PRO 57 1HD PRO 57 4.309 -8.985 -0.319 463 H TYR 58 H TYR 58 2.755 -5.622 -0.628 464 HA TYR 58 HA TYR 58 2.647 -2.913 -1.736 465 1HB TYR 58 2HB TYR 58 0.907 -5.045 -1.243 466 2HB TYR 58 1HB TYR 58 0.383 -3.803 -0.110 467 HD1 TYR 58 1HD TYR 58 1.716 -3.817 -3.625 468 HD2 TYR 58 2HD TYR 58 -1.367 -2.511 -0.934 469 HE1 TYR 58 1HE TYR 58 0.611 -2.599 -5.481 470 HE2 TYR 58 2HE TYR 58 -2.470 -1.293 -2.791 471 HH TYR 58 HH TYR 58 -0.985 -0.555 -5.642 472 H GLU 59 H GLU 59 3.653 -4.079 1.297 473 HA GLU 59 HA GLU 59 2.541 -1.828 2.854 474 1HB GLU 59 2HB GLU 59 3.598 -3.005 4.731 475 2HB GLU 59 1HB GLU 59 2.695 -4.143 3.739 476 1HG GLU 59 2HG GLU 59 4.561 -5.370 3.464 477 2HG GLU 59 1HG GLU 59 5.326 -4.007 2.653 478 H GLN 60 H GLN 60 5.525 -2.660 1.223 479 HA GLN 60 HA GLN 60 7.182 -0.728 2.658 480 1HB GLN 60 2HB GLN 60 8.825 -1.345 0.893 481 2HB GLN 60 1HB GLN 60 8.099 -2.764 1.644 482 1HG GLN 60 2HG GLN 60 6.765 -3.229 -0.221 483 2HG GLN 60 1HG GLN 60 6.889 -1.585 -0.847 484 1HE2 GLN 60 1HE2 GLN 60 8.221 -1.496 -2.654 485 2HE2 GLN 60 2HE2 GLN 60 9.595 -2.459 -2.906 486 H LYS 61 H LYS 61 5.030 -0.616 -0.082 487 HA LYS 61 HA LYS 61 6.117 1.663 -1.458 488 1HB LYS 61 2HB LYS 61 4.454 0.108 -2.400 489 2HB LYS 61 1HB LYS 61 3.284 0.590 -1.172 490 1HG LYS 61 2HG LYS 61 3.057 2.768 -2.086 491 2HG LYS 61 1HG LYS 61 4.514 2.597 -3.068 492 1HD LYS 61 2HD LYS 61 3.308 0.671 -4.253 493 2HD LYS 61 1HD LYS 61 1.840 1.242 -3.457 494 1HE LYS 61 2HE LYS 61 2.145 3.476 -4.483 495 2HE LYS 61 1HE LYS 61 3.609 2.891 -5.301 496 1HZ LYS 61 1HZ LYS 61 0.917 1.652 -5.541 497 2HZ LYS 61 2HZ LYS 61 2.324 1.168 -6.361 498 3HZ LYS 61 3HZ LYS 61 1.613 2.674 -6.701 499 H ALA 62 H ALA 62 3.715 1.374 1.170 500 HA ALA 62 HA ALA 62 3.347 4.277 1.353 501 1HB ALA 62 1HB ALA 62 1.503 2.833 1.876 502 2HB ALA 62 2HB ALA 62 2.044 3.512 3.411 503 3HB ALA 62 3HB ALA 62 2.491 1.864 2.969 504 H ALA 63 H ALA 63 5.620 1.972 2.576 505 HA ALA 63 HA ALA 63 6.295 3.080 5.110 506 1HB ALA 63 1HB ALA 63 8.381 1.846 4.772 507 2HB ALA 63 2HB ALA 63 8.097 1.791 3.032 508 3HB ALA 63 3HB ALA 63 7.042 0.896 4.126 509 H LYS 64 H LYS 64 7.277 3.990 1.804 510 HA LYS 64 HA LYS 64 9.304 5.898 2.640 511 1HB LYS 64 2HB LYS 64 7.696 5.499 0.095 512 2HB LYS 64 1HB LYS 64 9.072 6.595 0.229 513 1HG LYS 64 2HG LYS 64 9.278 3.669 0.956 514 2HG LYS 64 1HG LYS 64 9.572 4.251 -0.683 515 1HD LYS 64 2HD LYS 64 11.284 5.825 0.224 516 2HD LYS 64 1HD LYS 64 11.043 5.118 1.822 517 1HE LYS 64 2HE LYS 64 11.861 2.976 1.101 518 2HE LYS 64 1HE LYS 64 11.829 3.471 -0.603 519 1HZ LYS 64 1HZ LYS 64 13.423 5.215 -0.091 520 2HZ LYS 64 2HZ LYS 64 14.058 3.696 0.323 521 3HZ LYS 64 3HZ LYS 64 13.469 4.731 1.533 522 H LEU 65 H LEU 65 6.123 6.458 1.080 523 HA LEU 65 HA LEU 65 5.891 9.218 1.511 524 1HB LEU 65 2HB LEU 65 4.024 6.902 1.220 525 2HB LEU 65 1HB LEU 65 3.330 8.458 1.680 526 HG LEU 65 HG LEU 65 4.782 9.397 -0.283 527 1HD1 LEU 65 1HD1 LEU 65 4.615 6.439 -0.915 528 2HD1 LEU 65 2HD1 LEU 65 6.075 7.418 -0.769 529 3HD1 LEU 65 3HD1 LEU 65 4.974 7.674 -2.122 530 1HD2 LEU 65 1HD2 LEU 65 2.916 9.131 -1.774 531 2HD2 LEU 65 2HD2 LEU 65 2.249 9.180 -0.143 532 3HD2 LEU 65 3HD2 LEU 65 2.417 7.638 -0.981 533 H LYS 66 H LYS 66 5.562 6.650 3.875 534 HA LYS 66 HA LYS 66 4.081 8.146 5.870 535 1HB LYS 66 2HB LYS 66 4.235 5.695 5.811 536 2HB LYS 66 1HB LYS 66 5.978 5.778 6.053 537 1HG LYS 66 2HG LYS 66 5.773 6.176 8.286 538 2HG LYS 66 1HG LYS 66 4.392 7.248 8.065 539 1HD LYS 66 2HD LYS 66 2.862 5.437 7.958 540 2HD LYS 66 1HD LYS 66 4.150 4.261 7.695 541 1HE LYS 66 2HE LYS 66 4.939 5.314 10.084 542 2HE LYS 66 1HE LYS 66 3.175 5.436 10.233 543 1HZ LYS 66 1HZ LYS 66 3.962 3.242 10.913 544 2HZ LYS 66 2HZ LYS 66 4.672 3.011 9.387 545 3HZ LYS 66 3HZ LYS 66 2.984 3.135 9.532 546 H GLU 67 H GLU 67 7.560 7.328 5.562 547 HA GLU 67 HA GLU 67 8.470 8.920 7.761 548 1HB GLU 67 2HB GLU 67 9.715 7.879 5.205 549 2HB GLU 67 1HB GLU 67 10.660 8.764 6.403 550 1HG GLU 67 2HG GLU 67 9.799 7.098 8.129 551 2HG GLU 67 1HG GLU 67 9.189 6.146 6.775 552 H LYS 68 H LYS 68 8.396 9.629 4.251 553 HA LYS 68 HA LYS 68 9.370 12.299 4.358 554 1HB LYS 68 2HB LYS 68 7.455 10.840 2.517 555 2HB LYS 68 1HB LYS 68 8.063 12.459 2.170 556 1HG LYS 68 2HG LYS 68 10.339 11.678 2.115 557 2HG LYS 68 1HG LYS 68 9.867 10.092 2.730 558 1HD LYS 68 2HD LYS 68 8.816 9.485 0.710 559 2HD LYS 68 1HD LYS 68 8.708 11.157 0.160 560 1HE LYS 68 2HE LYS 68 11.058 11.265 -0.294 561 2HE LYS 68 1HE LYS 68 11.362 9.748 0.576 562 1HZ LYS 68 1HZ LYS 68 9.942 8.595 -1.005 563 2HZ LYS 68 2HZ LYS 68 11.223 9.366 -1.815 564 3HZ LYS 68 3HZ LYS 68 9.663 10.041 -1.848 565 H TYR 69 H TYR 69 6.274 10.996 5.303 566 HA TYR 69 HA TYR 69 4.874 13.586 5.173 567 1HB TYR 69 2HB TYR 69 3.720 11.489 4.662 568 2HB TYR 69 1HB TYR 69 4.180 10.819 6.224 569 HD1 TYR 69 1HD TYR 69 3.276 11.885 8.339 570 HD2 TYR 69 2HD TYR 69 1.789 12.874 4.433 571 HE1 TYR 69 1HE TYR 69 1.238 12.855 9.362 572 HE2 TYR 69 2HE TYR 69 -0.249 13.848 5.456 573 HH TYR 69 HH TYR 69 -0.511 14.417 8.846 574 H GLU 70 H GLU 70 5.610 11.251 7.792 575 HA GLU 70 HA GLU 70 5.014 13.099 9.925 576 1HB GLU 70 2HB GLU 70 6.149 10.387 9.545 577 2HB GLU 70 1HB GLU 70 6.583 11.188 11.055 578 1HG GLU 70 2HG GLU 70 4.405 11.229 11.823 579 2HG GLU 70 1HG GLU 70 3.723 11.289 10.197 580 H LYS 71 H LYS 71 8.050 12.297 8.248 581 HA LYS 71 HA LYS 71 9.683 13.782 10.194 582 1HB LYS 71 2HB LYS 71 10.307 12.536 7.501 583 2HB LYS 71 1HB LYS 71 11.505 13.117 8.655 584 1HG LYS 71 2HG LYS 71 9.441 11.013 9.347 585 2HG LYS 71 1HG LYS 71 11.054 10.619 8.749 586 1HD LYS 71 2HD LYS 71 11.919 12.137 10.655 587 2HD LYS 71 1HD LYS 71 10.295 11.993 11.327 588 1HE LYS 71 2HE LYS 71 11.776 9.504 10.495 589 2HE LYS 71 1HE LYS 71 12.111 10.252 12.070 590 1HZ LYS 71 1HZ LYS 71 10.282 8.695 12.268 591 2HZ LYS 71 2HZ LYS 71 9.432 9.489 11.030 592 3HZ LYS 71 3HZ LYS 71 9.719 10.277 12.506 593 H ASP 72 H ASP 72 7.910 14.615 7.338 594 HA ASP 72 HA ASP 72 9.606 17.043 6.911 595 1HB ASP 72 2HB ASP 72 8.952 15.286 5.106 596 2HB ASP 72 1HB ASP 72 7.370 16.066 5.144 597 H ILE 73 H ILE 73 6.459 16.020 8.043 598 HA ILE 73 HA ILE 73 5.195 18.641 7.658 599 HB ILE 73 HB ILE 73 4.014 16.443 7.563 600 1HG1 ILE 73 2HG1 ILE 73 2.239 17.185 9.406 601 2HG1 ILE 73 1HG1 ILE 73 3.236 18.639 9.438 602 1HG2 ILE 73 1HG2 ILE 73 3.939 14.970 9.316 603 2HG2 ILE 73 2HG2 ILE 73 3.959 16.251 10.528 604 3HG2 ILE 73 3HG2 ILE 73 5.459 15.753 9.747 605 1HD1 ILE 73 1HD1 ILE 73 2.130 17.432 6.889 606 2HD1 ILE 73 2HD1 ILE 73 2.919 18.999 7.075 607 3HD1 ILE 73 3HD1 ILE 73 1.327 18.724 7.782 608 H ALA 74 H ALA 74 7.086 17.082 10.146 609 HA ALA 74 HA ALA 74 6.193 18.559 12.440 610 1HB ALA 74 1HB ALA 74 8.523 17.909 13.258 611 2HB ALA 74 2HB ALA 74 8.809 17.242 11.651 612 3HB ALA 74 3HB ALA 74 7.535 16.572 12.671 613 H ALA 75 H ALA 75 8.726 19.194 10.017 614 HA ALA 75 HA ALA 75 9.363 21.811 11.259 615 1HB ALA 75 1HB ALA 75 11.193 21.771 9.635 616 2HB ALA 75 2HB ALA 75 10.456 20.402 8.803 617 3HB ALA 75 3HB ALA 75 11.092 20.204 10.435 618 H TYR 76 H TYR 76 7.090 20.667 9.018 619 HA TYR 76 HA TYR 76 7.207 22.973 7.188 620 1HB TYR 76 2HB TYR 76 6.650 20.631 6.508 621 2HB TYR 76 1HB TYR 76 5.191 20.720 7.495 622 HD1 TYR 76 1HD TYR 76 6.911 22.048 4.502 623 HD2 TYR 76 2HD TYR 76 3.279 22.034 6.795 624 HE1 TYR 76 1HE TYR 76 5.727 23.163 2.631 625 HE2 TYR 76 2HE TYR 76 2.094 23.149 4.923 626 HH TYR 76 HH TYR 76 3.485 24.756 2.568 627 H ARG 77 H ARG 77 5.475 22.001 10.081 628 HA ARG 77 HA ARG 77 3.222 23.802 9.776 629 1HB ARG 77 2HB ARG 77 4.505 22.376 12.128 630 2HB ARG 77 1HB ARG 77 2.985 23.264 12.244 631 1HG ARG 77 2HG ARG 77 1.830 21.732 10.943 632 2HG ARG 77 1HG ARG 77 3.279 21.220 10.076 633 1HD ARG 77 2HD ARG 77 3.202 19.396 11.454 634 2HD ARG 77 1HD ARG 77 3.867 20.491 12.684 635 HE ARG 77 HE ARG 77 1.481 21.015 13.310 636 1HH1 ARG 77 1HH1 ARG 77 1.992 18.226 14.161 637 2HH1 ARG 77 2HH1 ARG 77 0.674 17.360 13.447 638 1HH2 ARG 77 1HH2 ARG 77 -0.130 19.891 11.218 639 2HH2 ARG 77 2HH2 ARG 77 -0.528 18.302 11.780 640 H ALA 78 H ALA 78 5.526 24.032 12.488 641 HA ALA 78 HA ALA 78 5.860 26.949 11.886 642 1HB ALA 78 1HB ALA 78 5.179 27.455 14.051 643 2HB ALA 78 2HB ALA 78 5.727 25.905 14.692 644 3HB ALA 78 3HB ALA 78 4.223 25.998 13.776 645 H LYS 79 H LYS 79 7.498 27.063 14.464 646 HA LYS 79 HA LYS 79 9.782 26.919 15.031 647 1HB LYS 79 2HB LYS 79 9.339 24.221 13.751 648 2HB LYS 79 1HB LYS 79 10.680 24.622 14.815 649 1HG LYS 79 2HG LYS 79 9.378 24.569 16.694 650 2HG LYS 79 1HG LYS 79 7.975 25.243 15.865 651 1HD LYS 79 2HD LYS 79 8.947 22.430 15.337 652 2HD LYS 79 1HD LYS 79 7.786 22.796 16.614 653 1HE LYS 79 2HE LYS 79 6.475 24.054 14.722 654 2HE LYS 79 1HE LYS 79 7.445 23.044 13.631 655 1HZ LYS 79 1HZ LYS 79 6.718 21.088 14.725 656 2HZ LYS 79 2HZ LYS 79 5.320 22.000 14.409 657 3HZ LYS 79 3HZ LYS 79 5.980 21.965 15.975 Start of MODEL 12 1 1H MET 1 1HT MET 1 -14.507 13.147 -0.305 2 2H MET 1 2HT MET 1 -13.539 13.815 0.920 3 3H MET 1 3HT MET 1 -12.991 12.470 0.039 4 HA MET 1 HA MET 1 -12.941 13.836 -1.997 5 1HB MET 1 2HB MET 1 -14.762 15.298 -0.741 6 2HB MET 1 1HB MET 1 -13.348 16.200 -0.194 7 1HG MET 1 2HG MET 1 -14.056 17.257 -2.220 8 2HG MET 1 1HG MET 1 -12.631 16.307 -2.639 9 1HE MET 1 1HE MET 1 -12.375 14.563 -3.771 10 2HE MET 1 2HE MET 1 -13.009 15.183 -5.291 11 3HE MET 1 3HE MET 1 -13.502 13.590 -4.726 12 H LYS 2 H LYS 2 -10.986 15.150 -2.454 13 HA LYS 2 HA LYS 2 -8.884 14.708 -0.401 14 1HB LYS 2 2HB LYS 2 -9.120 14.895 -3.331 15 2HB LYS 2 1HB LYS 2 -7.683 15.684 -2.680 16 1HG LYS 2 2HG LYS 2 -7.791 13.298 -1.256 17 2HG LYS 2 1HG LYS 2 -8.316 12.829 -2.869 18 1HD LYS 2 2HD LYS 2 -6.261 14.257 -3.660 19 2HD LYS 2 1HD LYS 2 -5.700 14.022 -2.004 20 1HE LYS 2 2HE LYS 2 -6.699 11.560 -3.289 21 2HE LYS 2 1HE LYS 2 -5.254 12.254 -4.048 22 1HZ LYS 2 1HZ LYS 2 -4.656 10.822 -2.179 23 2HZ LYS 2 2HZ LYS 2 -5.606 11.769 -1.136 24 3HZ LYS 2 3HZ LYS 2 -4.227 12.434 -1.871 25 H LYS 3 H LYS 3 -7.071 16.665 -1.005 26 HA LYS 3 HA LYS 3 -8.101 19.332 -1.233 27 1HB LYS 3 2HB LYS 3 -8.653 18.057 1.205 28 2HB LYS 3 1HB LYS 3 -7.281 19.104 1.564 29 1HG LYS 3 2HG LYS 3 -9.621 20.168 -0.002 30 2HG LYS 3 1HG LYS 3 -9.696 20.085 1.758 31 1HD LYS 3 2HD LYS 3 -7.616 21.407 1.911 32 2HD LYS 3 1HD LYS 3 -7.545 21.497 0.151 33 1HE LYS 3 2HE LYS 3 -8.589 23.537 0.755 34 2HE LYS 3 1HE LYS 3 -9.967 22.490 0.358 35 1HZ LYS 3 1HZ LYS 3 -10.291 23.516 2.518 36 2HZ LYS 3 2HZ LYS 3 -8.806 22.897 3.066 37 3HZ LYS 3 3HZ LYS 3 -10.086 21.842 2.694 38 H LYS 4 H LYS 4 -5.587 17.218 0.096 39 HA LYS 4 HA LYS 4 -3.495 19.060 0.506 40 1HB LYS 4 2HB LYS 4 -3.497 16.195 -0.487 41 2HB LYS 4 1HB LYS 4 -2.061 17.032 0.102 42 1HG LYS 4 2HG LYS 4 -4.471 17.098 1.851 43 2HG LYS 4 1HG LYS 4 -3.615 15.561 1.725 44 1HD LYS 4 2HD LYS 4 -2.460 16.562 3.479 45 2HD LYS 4 1HD LYS 4 -1.480 17.066 2.102 46 1HE LYS 4 2HE LYS 4 -2.339 19.259 2.127 47 2HE LYS 4 1HE LYS 4 -3.783 18.779 3.042 48 1HZ LYS 4 1HZ LYS 4 -2.142 19.848 4.481 49 2HZ LYS 4 2HZ LYS 4 -0.989 18.675 4.055 50 3HZ LYS 4 3HZ LYS 4 -2.380 18.229 4.923 51 H ASP 5 H ASP 5 -1.382 18.486 -1.073 52 HA ASP 5 HA ASP 5 -2.126 18.975 -3.918 53 1HB ASP 5 2HB ASP 5 -1.330 20.956 -1.966 54 2HB ASP 5 1HB ASP 5 -0.090 20.845 -3.216 55 HA PRO 6 HA PRO 6 1.629 16.837 -4.802 56 1HB PRO 6 2HB PRO 6 3.081 18.407 -6.513 57 2HB PRO 6 1HB PRO 6 1.610 17.544 -7.002 58 1HG PRO 6 2HG PRO 6 1.966 20.407 -6.267 59 2HG PRO 6 1HG PRO 6 0.976 19.685 -7.545 60 1HD PRO 6 2HD PRO 6 -0.052 20.552 -5.194 61 2HD PRO 6 1HD PRO 6 -0.758 19.211 -6.119 62 H ASN 7 H ASN 7 2.219 20.233 -3.964 63 HA ASN 7 HA ASN 7 4.965 19.794 -3.083 64 1HB ASN 7 2HB ASN 7 3.725 21.925 -3.940 65 2HB ASN 7 1HB ASN 7 3.173 22.080 -2.273 66 1HD2 ASN 7 1HD2 ASN 7 4.978 22.082 -0.569 67 2HD2 ASN 7 2HD2 ASN 7 6.465 22.783 -0.993 68 H ALA 8 H ALA 8 1.808 19.498 -1.600 69 HA ALA 8 HA ALA 8 3.040 19.311 1.118 70 1HB ALA 8 1HB ALA 8 0.099 19.288 0.428 71 2HB ALA 8 2HB ALA 8 1.003 20.801 0.449 72 3HB ALA 8 3HB ALA 8 0.871 19.833 1.917 73 HA PRO 9 HA PRO 9 2.609 14.906 0.552 74 1HB PRO 9 2HB PRO 9 3.018 14.099 3.133 75 2HB PRO 9 1HB PRO 9 4.334 14.617 2.061 76 1HG PRO 9 2HG PRO 9 2.949 16.123 4.221 77 2HG PRO 9 1HG PRO 9 4.661 16.109 3.772 78 1HD PRO 9 2HD PRO 9 2.943 18.111 3.076 79 2HD PRO 9 1HD PRO 9 4.376 17.674 2.120 80 H LYS 10 H LYS 10 0.601 14.039 0.255 81 HA LYS 10 HA LYS 10 -1.751 14.833 1.670 82 1HB LYS 10 2HB LYS 10 -2.744 12.900 0.454 83 2HB LYS 10 1HB LYS 10 -1.729 13.883 -0.599 84 1HG LYS 10 2HG LYS 10 -0.105 11.865 0.684 85 2HG LYS 10 1HG LYS 10 -1.498 11.099 -0.077 86 1HD LYS 10 2HD LYS 10 -0.977 12.229 -2.201 87 2HD LYS 10 1HD LYS 10 0.405 13.023 -1.448 88 1HE LYS 10 2HE LYS 10 1.424 10.807 -0.985 89 2HE LYS 10 1HE LYS 10 0.048 10.023 -1.788 90 1HZ LYS 10 1HZ LYS 10 1.931 10.423 -3.311 91 2HZ LYS 10 2HZ LYS 10 1.776 12.093 -3.038 92 3HZ LYS 10 3HZ LYS 10 0.521 11.232 -3.792 93 H ARG 11 H ARG 11 -3.074 12.527 2.437 94 HA ARG 11 HA ARG 11 -2.136 12.040 5.085 95 1HB ARG 11 2HB ARG 11 -4.142 10.890 3.189 96 2HB ARG 11 1HB ARG 11 -3.767 9.959 4.638 97 1HG ARG 11 2HG ARG 11 -5.589 11.376 5.244 98 2HG ARG 11 1HG ARG 11 -4.155 12.120 5.953 99 1HD ARG 11 2HD ARG 11 -4.007 13.702 4.082 100 2HD ARG 11 1HD ARG 11 -5.397 12.927 3.296 101 HE ARG 11 HE ARG 11 -5.505 14.571 5.758 102 1HH1 ARG 11 1HH1 ARG 11 -7.248 12.219 6.197 103 2HH1 ARG 11 2HH1 ARG 11 -8.752 12.722 5.503 104 1HH2 ARG 11 1HH2 ARG 11 -7.353 15.333 3.700 105 2HH2 ARG 11 2HH2 ARG 11 -8.812 14.485 4.090 106 HA PRO 12 HA PRO 12 0.962 8.984 4.282 107 1HB PRO 12 2HB PRO 12 1.092 7.778 6.732 108 2HB PRO 12 1HB PRO 12 1.780 9.382 6.404 109 1HG PRO 12 2HG PRO 12 -0.758 8.652 7.762 110 2HG PRO 12 1HG PRO 12 0.372 9.970 8.099 111 1HD PRO 12 2HD PRO 12 -2.006 10.283 6.769 112 2HD PRO 12 1HD PRO 12 -0.611 11.371 6.599 113 HA PRO 13 HA PRO 13 -1.822 5.525 3.557 114 1HB PRO 13 2HB PRO 13 -0.262 4.201 1.745 115 2HB PRO 13 1HB PRO 13 -1.231 5.626 1.327 116 1HG PRO 13 2HG PRO 13 1.678 5.378 1.720 117 2HG PRO 13 1HG PRO 13 0.763 6.515 0.723 118 1HD PRO 13 2HD PRO 13 1.918 7.036 3.231 119 2HD PRO 13 1HD PRO 13 0.772 8.074 2.360 120 H SER 14 H SER 14 -1.330 2.970 3.460 121 HA SER 14 HA SER 14 0.994 2.039 4.955 122 1HB SER 14 2HB SER 14 -0.306 3.216 6.700 123 2HB SER 14 1HB SER 14 -1.707 2.217 6.327 124 HG SER 14 HG SER 14 -0.662 1.253 8.019 125 H ALA 15 H ALA 15 0.326 0.924 2.628 126 HA ALA 15 HA ALA 15 -0.119 -1.125 1.632 127 1HB ALA 15 1HB ALA 15 -1.174 -2.598 3.887 128 2HB ALA 15 2HB ALA 15 0.247 -1.685 4.390 129 3HB ALA 15 3HB ALA 15 0.359 -2.819 3.046 130 H PHE 16 H PHE 16 -2.636 -1.301 4.189 131 HA PHE 16 HA PHE 16 -4.771 -2.064 2.567 132 1HB PHE 16 2HB PHE 16 -4.492 -1.706 5.131 133 2HB PHE 16 1HB PHE 16 -5.070 -0.072 4.810 134 HD1 PHE 16 1HD PHE 16 -7.212 0.024 3.197 135 HD2 PHE 16 2HD PHE 16 -6.087 -3.333 5.630 136 HE1 PHE 16 1HE PHE 16 -9.546 -0.808 3.128 137 HE2 PHE 16 2HE PHE 16 -8.422 -4.165 5.561 138 HZ PHE 16 HZ PHE 16 -10.152 -2.902 4.310 139 H PHE 17 H PHE 17 -3.827 1.288 3.378 140 HA PHE 17 HA PHE 17 -5.879 2.632 1.925 141 1HB PHE 17 2HB PHE 17 -3.878 3.339 3.586 142 2HB PHE 17 1HB PHE 17 -3.129 3.783 2.053 143 HD1 PHE 17 1HD PHE 17 -5.373 4.822 4.611 144 HD2 PHE 17 2HD PHE 17 -4.614 5.170 0.398 145 HE1 PHE 17 1HE PHE 17 -6.749 6.883 4.535 146 HE2 PHE 17 2HE PHE 17 -5.990 7.231 0.321 147 HZ PHE 17 HZ PHE 17 -7.058 8.088 2.389 148 H LEU 18 H LEU 18 -2.856 1.151 0.846 149 HA LEU 18 HA LEU 18 -2.930 2.419 -1.800 150 1HB LEU 18 2HB LEU 18 -1.309 0.033 -0.861 151 2HB LEU 18 1HB LEU 18 -0.911 1.149 -2.161 152 HG LEU 18 HG LEU 18 -0.988 1.792 0.806 153 1HD1 LEU 18 1HD1 LEU 18 1.390 2.011 0.628 154 2HD1 LEU 18 2HD1 LEU 18 1.334 1.896 -1.131 155 3HD1 LEU 18 3HD1 LEU 18 0.974 0.480 -0.142 156 1HD2 LEU 18 1HD2 LEU 18 0.119 3.972 -0.204 157 2HD2 LEU 18 2HD2 LEU 18 -1.637 3.825 -0.158 158 3HD2 LEU 18 3HD2 LEU 18 -0.765 3.507 -1.657 159 H PHE 19 H PHE 19 -3.780 -0.726 -0.381 160 HA PHE 19 HA PHE 19 -4.264 -2.079 -2.897 161 1HB PHE 19 2HB PHE 19 -3.760 -3.099 -0.645 162 2HB PHE 19 1HB PHE 19 -5.388 -2.646 -0.137 163 HD1 PHE 19 1HD PHE 19 -7.304 -3.893 -0.835 164 HD2 PHE 19 2HD PHE 19 -3.455 -4.693 -2.564 165 HE1 PHE 19 1HE PHE 19 -8.209 -5.940 -1.902 166 HE2 PHE 19 2HE PHE 19 -4.360 -6.741 -3.631 167 HZ PHE 19 HZ PHE 19 -6.737 -7.363 -3.300 168 H CYS 20 H CYS 20 -6.512 -0.751 -0.434 169 HA CYS 20 HA CYS 20 -8.942 -1.237 -1.810 170 1HB CYS 20 2HB CYS 20 -8.585 -0.480 0.567 171 2HB CYS 20 1HB CYS 20 -8.239 1.135 -0.053 172 HG CYS 20 HG CYS 20 -10.677 1.357 -0.844 173 H SER 21 H SER 21 -7.072 1.823 -1.747 174 HA SER 21 HA SER 21 -8.608 3.288 -3.614 175 1HB SER 21 2HB SER 21 -6.687 4.018 -2.109 176 2HB SER 21 1HB SER 21 -5.594 3.359 -3.321 177 HG SER 21 HG SER 21 -7.463 5.471 -3.570 178 H GLU 22 H GLU 22 -6.340 0.671 -4.183 179 HA GLU 22 HA GLU 22 -6.243 1.250 -7.097 180 1HB GLU 22 2HB GLU 22 -4.727 -0.354 -5.102 181 2HB GLU 22 1HB GLU 22 -4.687 -0.894 -6.777 182 1HG GLU 22 2HG GLU 22 -4.035 1.925 -5.870 183 2HG GLU 22 1HG GLU 22 -2.828 0.685 -6.213 184 H TYR 23 H TYR 23 -7.793 -0.906 -4.820 185 HA TYR 23 HA TYR 23 -8.563 -2.798 -6.990 186 1HB TYR 23 2HB TYR 23 -8.346 -2.797 -4.024 187 2HB TYR 23 1HB TYR 23 -9.612 -3.813 -4.714 188 HD1 TYR 23 1HD TYR 23 -5.993 -2.968 -5.234 189 HD2 TYR 23 2HD TYR 23 -9.062 -5.966 -5.423 190 HE1 TYR 23 1HE TYR 23 -4.296 -4.666 -5.857 191 HE2 TYR 23 2HE TYR 23 -7.365 -7.664 -6.046 192 HH TYR 23 HH TYR 23 -4.974 -8.027 -5.859 193 H ARG 24 H ARG 24 -9.758 0.071 -6.269 194 HA ARG 24 HA ARG 24 -12.566 -0.676 -5.772 195 1HB ARG 24 2HB ARG 24 -10.952 1.849 -5.892 196 2HB ARG 24 1HB ARG 24 -12.714 1.911 -5.969 197 1HG ARG 24 2HG ARG 24 -12.972 0.942 -3.836 198 2HG ARG 24 1HG ARG 24 -11.318 0.331 -3.818 199 1HD ARG 24 2HD ARG 24 -10.700 2.207 -2.704 200 2HD ARG 24 1HD ARG 24 -11.128 3.155 -4.141 201 HE ARG 24 HE ARG 24 -13.010 2.526 -1.905 202 1HH1 ARG 24 1HH1 ARG 24 -14.119 3.021 -4.731 203 2HH1 ARG 24 2HH1 ARG 24 -14.512 4.705 -4.630 204 1HH2 ARG 24 1HH2 ARG 24 -12.636 5.243 -1.764 205 2HH2 ARG 24 2HH2 ARG 24 -13.672 5.963 -2.951 206 HA PRO 25 HA PRO 25 -12.952 1.403 -10.106 207 1HB PRO 25 2HB PRO 25 -10.782 1.270 -11.768 208 2HB PRO 25 1HB PRO 25 -11.144 2.666 -10.734 209 1HG PRO 25 2HG PRO 25 -9.197 0.461 -10.325 210 2HG PRO 25 1HG PRO 25 -9.051 2.185 -9.949 211 1HD PRO 25 2HD PRO 25 -9.572 0.284 -8.101 212 2HD PRO 25 1HD PRO 25 -10.114 1.965 -7.927 213 H LYS 26 H LYS 26 -11.182 -1.486 -9.382 214 HA LYS 26 HA LYS 26 -11.747 -2.955 -11.827 215 1HB LYS 26 2HB LYS 26 -9.992 -3.403 -10.012 216 2HB LYS 26 1HB LYS 26 -11.323 -3.993 -9.011 217 1HG LYS 26 2HG LYS 26 -10.983 -5.069 -11.796 218 2HG LYS 26 1HG LYS 26 -9.960 -5.688 -10.499 219 1HD LYS 26 2HD LYS 26 -12.176 -5.975 -9.177 220 2HD LYS 26 1HD LYS 26 -12.960 -5.821 -10.750 221 1HE LYS 26 2HE LYS 26 -11.117 -7.635 -11.442 222 2HE LYS 26 1HE LYS 26 -11.226 -8.024 -9.713 223 1HZ LYS 26 1HZ LYS 26 -13.607 -8.171 -9.895 224 2HZ LYS 26 2HZ LYS 26 -12.907 -9.205 -11.048 225 3HZ LYS 26 3HZ LYS 26 -13.559 -7.711 -11.527 226 H ILE 27 H ILE 27 -13.164 -2.872 -8.561 227 HA ILE 27 HA ILE 27 -15.328 -4.654 -8.890 228 HB ILE 27 HB ILE 27 -15.265 -2.037 -7.346 229 1HG1 ILE 27 2HG1 ILE 27 -13.284 -3.223 -6.680 230 2HG1 ILE 27 1HG1 ILE 27 -14.480 -3.493 -5.424 231 1HG2 ILE 27 1HG2 ILE 27 -16.741 -3.341 -5.770 232 2HG2 ILE 27 2HG2 ILE 27 -16.840 -4.592 -7.010 233 3HG2 ILE 27 3HG2 ILE 27 -17.463 -2.975 -7.338 234 1HD1 ILE 27 1HD1 ILE 27 -15.076 -5.644 -6.707 235 2HD1 ILE 27 2HD1 ILE 27 -13.558 -5.627 -5.810 236 3HD1 ILE 27 3HD1 ILE 27 -13.551 -5.403 -7.559 237 H LYS 28 H LYS 28 -14.966 -1.308 -9.891 238 HA LYS 28 HA LYS 28 -17.781 -0.832 -10.389 239 1HB LYS 28 2HB LYS 28 -15.618 0.709 -11.800 240 2HB LYS 28 1HB LYS 28 -17.110 1.290 -11.079 241 1HG LYS 28 2HG LYS 28 -14.529 0.574 -9.724 242 2HG LYS 28 1HG LYS 28 -15.354 2.115 -9.706 243 1HD LYS 28 2HD LYS 28 -16.217 -0.432 -8.290 244 2HD LYS 28 1HD LYS 28 -15.631 1.052 -7.547 245 1HE LYS 28 2HE LYS 28 -18.107 1.020 -9.302 246 2HE LYS 28 1HE LYS 28 -18.178 0.761 -7.549 247 1HZ LYS 28 1HZ LYS 28 -18.383 3.095 -7.954 248 2HZ LYS 28 2HZ LYS 28 -17.016 3.100 -8.964 249 3HZ LYS 28 3HZ LYS 28 -16.845 2.819 -7.297 250 H SER 29 H SER 29 -15.077 -1.944 -12.384 251 HA SER 29 HA SER 29 -16.330 -1.732 -14.947 252 1HB SER 29 2HB SER 29 -13.900 -2.177 -14.356 253 2HB SER 29 1HB SER 29 -14.365 -3.837 -13.998 254 HG SER 29 HG SER 29 -14.488 -4.222 -16.062 255 H GLU 30 H GLU 30 -16.753 -4.040 -12.342 256 HA GLU 30 HA GLU 30 -18.496 -5.712 -14.124 257 1HB GLU 30 2HB GLU 30 -16.441 -6.253 -12.070 258 2HB GLU 30 1HB GLU 30 -17.886 -7.254 -11.940 259 1HG GLU 30 2HG GLU 30 -16.443 -6.861 -14.566 260 2HG GLU 30 1HG GLU 30 -16.011 -8.152 -13.444 261 H HIS 31 H HIS 31 -18.414 -3.706 -11.297 262 HA HIS 31 HA HIS 31 -21.218 -4.560 -10.649 263 1HB HIS 31 2HB HIS 31 -19.132 -3.560 -8.681 264 2HB HIS 31 1HB HIS 31 -20.711 -4.232 -8.301 265 HD1 HIS 31 1HD HIS 31 -17.225 -5.187 -9.101 266 HD2 HIS 31 2HD HIS 31 -20.908 -7.103 -8.744 267 HE1 HIS 31 1HE HIS 31 -16.729 -7.664 -8.969 268 HA PRO 32 HA PRO 32 -21.287 -0.108 -11.655 269 1HB PRO 32 2HB PRO 32 -23.837 -0.090 -12.645 270 2HB PRO 32 1HB PRO 32 -22.425 -0.537 -13.615 271 1HG PRO 32 2HG PRO 32 -24.477 -2.267 -12.364 272 2HG PRO 32 1HG PRO 32 -23.593 -2.476 -13.883 273 1HD PRO 32 2HD PRO 32 -23.023 -3.800 -11.533 274 2HD PRO 32 1HD PRO 32 -21.881 -3.569 -12.872 275 H GLY 33 H GLY 33 -23.775 -2.072 -10.074 276 1HA GLY 33 2HA GLY 33 -25.012 0.167 -8.697 277 2HA GLY 33 1HA GLY 33 -25.296 -1.540 -8.367 278 H LEU 34 H LEU 34 -22.211 -1.790 -8.125 279 HA LEU 34 HA LEU 34 -21.985 -1.806 -5.308 280 1HB LEU 34 2HB LEU 34 -20.366 -2.241 -7.657 281 2HB LEU 34 1HB LEU 34 -19.420 -1.349 -6.474 282 HG LEU 34 HG LEU 34 -19.206 -3.823 -6.226 283 1HD1 LEU 34 1HD1 LEU 34 -20.309 -2.068 -4.065 284 2HD1 LEU 34 2HD1 LEU 34 -18.690 -2.744 -4.244 285 3HD1 LEU 34 3HD1 LEU 34 -20.021 -3.774 -3.718 286 1HD2 LEU 34 1HD2 LEU 34 -21.896 -3.904 -6.730 287 2HD2 LEU 34 2HD2 LEU 34 -21.881 -4.061 -4.974 288 3HD2 LEU 34 3HD2 LEU 34 -20.997 -5.217 -5.970 289 H SER 35 H SER 35 -22.883 0.322 -4.656 290 HA SER 35 HA SER 35 -21.550 2.814 -5.336 291 1HB SER 35 2HB SER 35 -23.905 2.625 -4.599 292 2HB SER 35 1HB SER 35 -23.369 2.022 -3.033 293 HG SER 35 HG SER 35 -23.764 4.255 -2.950 294 H ILE 36 H ILE 36 -20.671 4.183 -3.347 295 HA ILE 36 HA ILE 36 -18.237 3.054 -2.422 296 HB ILE 36 HB ILE 36 -19.964 5.290 -1.301 297 1HG1 ILE 36 2HG1 ILE 36 -19.313 5.596 -3.666 298 2HG1 ILE 36 1HG1 ILE 36 -18.471 6.747 -2.632 299 1HG2 ILE 36 1HG2 ILE 36 -17.713 6.125 -0.433 300 2HG2 ILE 36 2HG2 ILE 36 -17.085 4.513 -0.775 301 3HG2 ILE 36 3HG2 ILE 36 -18.381 4.722 0.402 302 1HD1 ILE 36 1HD1 ILE 36 -16.519 5.128 -2.584 303 2HD1 ILE 36 2HD1 ILE 36 -16.841 5.850 -4.161 304 3HD1 ILE 36 3HD1 ILE 36 -17.354 4.196 -3.828 305 H GLY 37 H GLY 37 -21.474 2.953 -1.031 306 1HA GLY 37 2HA GLY 37 -20.821 2.167 1.622 307 2HA GLY 37 1HA GLY 37 -22.328 1.758 0.799 308 H ASP 38 H ASP 38 -21.942 -0.007 -0.995 309 HA ASP 38 HA ASP 38 -20.969 -2.393 0.341 310 1HB ASP 38 2HB ASP 38 -22.316 -1.584 -2.165 311 2HB ASP 38 1HB ASP 38 -21.342 -3.048 -2.306 312 H THR 39 H THR 39 -19.629 -0.203 -2.090 313 HA THR 39 HA THR 39 -17.445 -1.892 -2.949 314 HB THR 39 HB THR 39 -17.782 1.127 -2.888 315 HG1 THR 39 1HG THR 39 -18.724 0.869 -4.812 316 1HG2 THR 39 1HG2 THR 39 -15.867 -0.655 -4.420 317 2HG2 THR 39 2HG2 THR 39 -15.443 0.561 -3.216 318 3HG2 THR 39 3HG2 THR 39 -16.122 1.055 -4.767 319 H ALA 40 H ALA 40 -17.895 0.354 -0.272 320 HA ALA 40 HA ALA 40 -15.109 0.474 0.530 321 1HB ALA 40 1HB ALA 40 -17.730 0.986 1.976 322 2HB ALA 40 2HB ALA 40 -16.747 2.184 1.134 323 3HB ALA 40 3HB ALA 40 -16.145 1.429 2.610 324 H LYS 41 H LYS 41 -17.863 -1.593 1.383 325 HA LYS 41 HA LYS 41 -16.194 -3.073 3.334 326 1HB LYS 41 2HB LYS 41 -18.322 -4.038 4.034 327 2HB LYS 41 1HB LYS 41 -18.476 -2.290 3.915 328 1HG LYS 41 2HG LYS 41 -19.382 -2.680 1.552 329 2HG LYS 41 1HG LYS 41 -19.485 -4.383 1.981 330 1HD LYS 41 2HD LYS 41 -21.638 -3.368 2.425 331 2HD LYS 41 1HD LYS 41 -20.873 -3.730 3.971 332 1HE LYS 41 2HE LYS 41 -19.970 -1.139 3.345 333 2HE LYS 41 1HE LYS 41 -21.688 -1.145 2.902 334 1HZ LYS 41 1HZ LYS 41 -22.206 -2.145 5.039 335 2HZ LYS 41 2HZ LYS 41 -21.400 -0.665 5.260 336 3HZ LYS 41 3HZ LYS 41 -20.566 -2.131 5.473 337 H LYS 42 H LYS 42 -17.150 -3.367 0.025 338 HA LYS 42 HA LYS 42 -17.082 -6.313 -0.011 339 1HB LYS 42 2HB LYS 42 -18.549 -4.893 -1.465 340 2HB LYS 42 1HB LYS 42 -17.105 -4.258 -2.249 341 1HG LYS 42 2HG LYS 42 -18.149 -6.095 -3.554 342 2HG LYS 42 1HG LYS 42 -16.517 -6.506 -3.038 343 1HD LYS 42 2HD LYS 42 -17.235 -8.174 -1.653 344 2HD LYS 42 1HD LYS 42 -18.651 -7.261 -1.132 345 1HE LYS 42 2HE LYS 42 -19.985 -8.178 -2.746 346 2HE LYS 42 1HE LYS 42 -18.699 -8.132 -3.968 347 1HZ LYS 42 1HZ LYS 42 -18.851 -10.018 -1.675 348 2HZ LYS 42 2HZ LYS 42 -17.590 -9.950 -2.812 349 3HZ LYS 42 3HZ LYS 42 -19.151 -10.412 -3.298 350 H LEU 43 H LEU 43 -14.673 -4.108 0.407 351 HA LEU 43 HA LEU 43 -12.736 -5.419 -1.445 352 1HB LEU 43 2HB LEU 43 -12.920 -2.845 0.098 353 2HB LEU 43 1HB LEU 43 -11.333 -3.440 -0.392 354 HG LEU 43 HG LEU 43 -13.635 -3.165 -2.333 355 1HD1 LEU 43 1HD1 LEU 43 -11.392 -1.193 -2.273 356 2HD1 LEU 43 2HD1 LEU 43 -12.675 -1.008 -1.076 357 3HD1 LEU 43 3HD1 LEU 43 -13.063 -0.978 -2.796 358 1HD2 LEU 43 1HD2 LEU 43 -10.629 -3.463 -2.611 359 2HD2 LEU 43 2HD2 LEU 43 -11.713 -3.125 -3.960 360 3HD2 LEU 43 3HD2 LEU 43 -11.856 -4.643 -3.073 361 H GLY 44 H GLY 44 -13.482 -4.844 1.959 362 1HA GLY 44 2HA GLY 44 -11.058 -5.937 3.056 363 2HA GLY 44 1HA GLY 44 -12.586 -5.769 3.925 364 H GLU 45 H GLU 45 -14.060 -7.363 1.909 365 HA GLU 45 HA GLU 45 -14.016 -9.925 3.069 366 1HB GLU 45 2HB GLU 45 -15.561 -8.674 1.301 367 2HB GLU 45 1HB GLU 45 -14.595 -9.592 0.145 368 1HG GLU 45 2HG GLU 45 -15.908 -10.901 2.531 369 2HG GLU 45 1HG GLU 45 -16.738 -10.723 0.985 370 H MET 46 H MET 46 -12.202 -8.765 0.221 371 HA MET 46 HA MET 46 -10.870 -11.374 -0.139 372 1HB MET 46 2HB MET 46 -10.621 -8.652 -1.462 373 2HB MET 46 1HB MET 46 -9.782 -10.102 -2.012 374 1HG MET 46 2HG MET 46 -12.761 -10.169 -1.638 375 2HG MET 46 1HG MET 46 -12.082 -9.460 -3.102 376 1HE MET 46 1HE MET 46 -13.607 -11.821 -4.360 377 2HE MET 46 2HE MET 46 -14.020 -11.673 -2.654 378 3HE MET 46 3HE MET 46 -13.548 -13.240 -3.306 379 H TRP 47 H TRP 47 -10.003 -8.055 0.853 380 HA TRP 47 HA TRP 47 -7.215 -8.375 1.206 381 1HB TRP 47 2HB TRP 47 -8.548 -6.263 1.327 382 2HB TRP 47 1HB TRP 47 -9.162 -6.776 2.899 383 HD1 TRP 47 HD TRP 47 -7.803 -6.019 4.905 384 HE1 TRP 47 1HE TRP 47 -5.399 -5.174 5.296 385 HE3 TRP 47 3HE TRP 47 -5.901 -6.563 0.198 386 HZ2 TRP 47 2HZ TRP 47 -2.988 -4.778 3.808 387 HZ3 TRP 47 3HZ TRP 47 -3.550 -5.944 -0.288 388 HH2 TRP 47 HH TRP 47 -2.093 -5.054 1.509 389 H SER 48 H SER 48 -9.855 -9.614 3.157 390 HA SER 48 HA SER 48 -8.154 -10.180 5.494 391 1HB SER 48 2HB SER 48 -10.595 -9.535 5.545 392 2HB SER 48 1HB SER 48 -10.965 -11.085 4.795 393 HG SER 48 HG SER 48 -10.255 -12.124 6.589 394 H GLU 49 H GLU 49 -9.579 -11.923 2.752 395 HA GLU 49 HA GLU 49 -8.964 -14.594 3.594 396 1HB GLU 49 2HB GLU 49 -9.320 -13.233 0.910 397 2HB GLU 49 1HB GLU 49 -9.105 -14.977 1.061 398 1HG GLU 49 2HG GLU 49 -11.080 -15.126 2.501 399 2HG GLU 49 1HG GLU 49 -11.281 -13.375 2.438 400 H GLN 50 H GLN 50 -7.069 -12.108 1.942 401 HA GLN 50 HA GLN 50 -4.855 -13.729 1.103 402 1HB GLN 50 2HB GLN 50 -5.071 -10.814 1.924 403 2HB GLN 50 1HB GLN 50 -3.694 -11.508 1.068 404 1HG GLN 50 2HG GLN 50 -6.525 -11.705 0.021 405 2HG GLN 50 1HG GLN 50 -5.448 -10.372 -0.398 406 1HE2 GLN 50 1HE2 GLN 50 -6.531 -13.132 -1.729 407 2HE2 GLN 50 2HE2 GLN 50 -5.148 -13.646 -2.568 408 H SER 51 H SER 51 -2.827 -14.080 2.139 409 HA SER 51 HA SER 51 -2.933 -13.981 5.124 410 1HB SER 51 2HB SER 51 -1.290 -15.783 4.958 411 2HB SER 51 1HB SER 51 -2.629 -16.143 3.871 412 HG SER 51 HG SER 51 -0.008 -15.342 3.314 413 H ALA 52 H ALA 52 -0.019 -14.279 5.331 414 HA ALA 52 HA ALA 52 0.730 -11.443 5.151 415 1HB ALA 52 1HB ALA 52 1.316 -12.765 7.103 416 2HB ALA 52 2HB ALA 52 2.809 -12.361 6.255 417 3HB ALA 52 3HB ALA 52 2.113 -13.973 6.096 418 H LYS 53 H LYS 53 0.337 -12.109 2.566 419 HA LYS 53 HA LYS 53 3.105 -12.440 1.467 420 1HB LYS 53 2HB LYS 53 1.116 -14.328 1.372 421 2HB LYS 53 1HB LYS 53 0.836 -13.459 -0.137 422 1HG LYS 53 2HG LYS 53 3.249 -13.744 -0.707 423 2HG LYS 53 1HG LYS 53 3.448 -14.713 0.754 424 1HD LYS 53 2HD LYS 53 1.389 -16.048 -0.260 425 2HD LYS 53 1HD LYS 53 1.992 -15.375 -1.775 426 1HE LYS 53 2HE LYS 53 4.291 -16.266 -1.138 427 2HE LYS 53 1HE LYS 53 3.489 -17.148 0.178 428 1HZ LYS 53 1HZ LYS 53 2.798 -17.304 -2.709 429 2HZ LYS 53 2HZ LYS 53 1.954 -18.087 -1.460 430 3HZ LYS 53 3HZ LYS 53 3.563 -18.516 -1.802 431 H ASP 54 H ASP 54 -0.248 -11.502 0.611 432 HA ASP 54 HA ASP 54 0.492 -9.834 -1.620 433 1HB ASP 54 2HB ASP 54 -1.753 -10.924 -0.988 434 2HB ASP 54 1HB ASP 54 -1.970 -9.563 0.114 435 H LYS 55 H LYS 55 0.307 -9.252 1.843 436 HA LYS 55 HA LYS 55 0.331 -6.329 1.583 437 1HB LYS 55 2HB LYS 55 -0.509 -8.057 3.471 438 2HB LYS 55 1HB LYS 55 1.100 -7.718 4.102 439 1HG LYS 55 2HG LYS 55 0.468 -5.219 3.672 440 2HG LYS 55 1HG LYS 55 -1.191 -5.821 3.654 441 1HD LYS 55 2HD LYS 55 0.658 -6.604 5.892 442 2HD LYS 55 1HD LYS 55 -0.143 -5.033 5.925 443 1HE LYS 55 2HE LYS 55 -2.330 -6.058 5.855 444 2HE LYS 55 1HE LYS 55 -1.625 -7.657 5.545 445 1HZ LYS 55 1HZ LYS 55 -1.140 -5.984 7.956 446 2HZ LYS 55 2HZ LYS 55 -0.438 -7.500 7.647 447 3HZ LYS 55 3HZ LYS 55 -2.113 -7.372 7.902 448 H GLN 56 H GLN 56 2.694 -8.893 2.285 449 HA GLN 56 HA GLN 56 4.917 -7.563 3.220 450 1HB GLN 56 2HB GLN 56 4.366 -9.864 1.458 451 2HB GLN 56 1HB GLN 56 6.008 -9.235 1.340 452 1HG GLN 56 2HG GLN 56 5.958 -9.261 3.943 453 2HG GLN 56 1HG GLN 56 4.589 -10.356 3.748 454 1HE2 GLN 56 1HE2 GLN 56 5.155 -12.133 1.887 455 2HE2 GLN 56 2HE2 GLN 56 6.666 -12.878 2.091 456 HA PRO 57 HA PRO 57 6.313 -6.031 -1.064 457 1HB PRO 57 2HB PRO 57 4.681 -6.316 -3.223 458 2HB PRO 57 1HB PRO 57 5.826 -7.571 -2.708 459 1HG PRO 57 2HG PRO 57 2.898 -7.408 -2.321 460 2HG PRO 57 1HG PRO 57 3.918 -8.823 -2.604 461 1HD PRO 57 2HD PRO 57 2.900 -8.065 -0.151 462 2HD PRO 57 1HD PRO 57 4.312 -9.116 -0.387 463 H TYR 58 H TYR 58 2.776 -5.741 -0.712 464 HA TYR 58 HA TYR 58 2.728 -3.009 -1.786 465 1HB TYR 58 2HB TYR 58 0.973 -5.162 -1.458 466 2HB TYR 58 1HB TYR 58 0.361 -3.945 -0.341 467 HD1 TYR 58 1HD TYR 58 -0.524 -1.826 -1.146 468 HD2 TYR 58 2HD TYR 58 1.126 -4.706 -3.872 469 HE1 TYR 58 1HE TYR 58 -1.507 -0.584 -3.056 470 HE2 TYR 58 2HE TYR 58 0.145 -3.464 -5.780 471 HH TYR 58 HH TYR 58 -0.596 -1.101 -6.247 472 H GLU 59 H GLU 59 3.363 -4.309 1.329 473 HA GLU 59 HA GLU 59 2.197 -2.067 2.834 474 1HB GLU 59 2HB GLU 59 3.033 -3.310 4.755 475 2HB GLU 59 1HB GLU 59 2.308 -4.443 3.624 476 1HG GLU 59 2HG GLU 59 4.265 -5.585 3.900 477 2HG GLU 59 1HG GLU 59 4.878 -4.426 2.721 478 H GLN 60 H GLN 60 5.328 -2.922 1.497 479 HA GLN 60 HA GLN 60 6.871 -1.022 3.070 480 1HB GLN 60 2HB GLN 60 8.633 -1.609 1.415 481 2HB GLN 60 1HB GLN 60 7.833 -3.041 2.061 482 1HG GLN 60 2HG GLN 60 6.616 -3.404 0.081 483 2HG GLN 60 1HG GLN 60 6.858 -1.752 -0.485 484 1HE2 GLN 60 1HE2 GLN 60 8.569 -4.850 0.052 485 2HE2 GLN 60 2HE2 GLN 60 9.825 -4.530 -1.044 486 H LYS 61 H LYS 61 4.848 -0.748 0.263 487 HA LYS 61 HA LYS 61 6.086 1.496 -1.039 488 1HB LYS 61 2HB LYS 61 4.386 0.054 -2.069 489 2HB LYS 61 1HB LYS 61 3.205 0.539 -0.853 490 1HG LYS 61 2HG LYS 61 3.075 2.751 -1.701 491 2HG LYS 61 1HG LYS 61 4.546 2.559 -2.656 492 1HD LYS 61 2HD LYS 61 3.227 0.646 -3.850 493 2HD LYS 61 1HD LYS 61 1.802 1.435 -3.169 494 1HE LYS 61 2HE LYS 61 2.324 3.514 -4.301 495 2HE LYS 61 1HE LYS 61 3.890 2.878 -4.839 496 1HZ LYS 61 1HZ LYS 61 2.133 2.660 -6.543 497 2HZ LYS 61 2HZ LYS 61 1.265 1.650 -5.490 498 3HZ LYS 61 3HZ LYS 61 2.784 1.166 -6.076 499 H ALA 62 H ALA 62 3.560 1.310 1.490 500 HA ALA 62 HA ALA 62 3.293 4.207 1.691 501 1HB ALA 62 1HB ALA 62 2.305 1.752 3.094 502 2HB ALA 62 2HB ALA 62 1.383 3.050 2.336 503 3HB ALA 62 3HB ALA 62 2.136 3.307 3.911 504 H ALA 63 H ALA 63 5.587 1.926 2.869 505 HA ALA 63 HA ALA 63 6.268 3.006 5.414 506 1HB ALA 63 1HB ALA 63 8.376 1.807 5.033 507 2HB ALA 63 2HB ALA 63 8.047 1.742 3.301 508 3HB ALA 63 3HB ALA 63 7.030 0.842 4.427 509 H LYS 64 H LYS 64 7.405 3.894 2.115 510 HA LYS 64 HA LYS 64 9.333 5.848 3.036 511 1HB LYS 64 2HB LYS 64 7.825 5.516 0.418 512 2HB LYS 64 1HB LYS 64 9.258 6.521 0.639 513 1HG LYS 64 2HG LYS 64 9.247 3.575 1.312 514 2HG LYS 64 1HG LYS 64 9.657 4.167 -0.299 515 1HD LYS 64 2HD LYS 64 11.338 5.716 0.895 516 2HD LYS 64 1HD LYS 64 11.097 4.682 2.304 517 1HE LYS 64 2HE LYS 64 11.759 3.467 -0.381 518 2HE LYS 64 1HE LYS 64 13.042 4.067 0.689 519 1HZ LYS 64 1HZ LYS 64 10.904 2.148 1.454 520 2HZ LYS 64 2HZ LYS 64 12.111 2.746 2.490 521 3HZ LYS 64 3HZ LYS 64 12.530 1.751 1.177 522 H LEU 65 H LEU 65 6.211 6.361 1.356 523 HA LEU 65 HA LEU 65 5.866 9.089 1.678 524 1HB LEU 65 2HB LEU 65 4.056 6.710 1.614 525 2HB LEU 65 1HB LEU 65 3.341 8.290 1.941 526 HG LEU 65 HG LEU 65 4.844 9.013 -0.129 527 1HD1 LEU 65 1HD1 LEU 65 5.958 6.968 -0.592 528 2HD1 LEU 65 2HD1 LEU 65 4.688 7.068 -1.812 529 3HD1 LEU 65 3HD1 LEU 65 4.478 6.027 -0.404 530 1HD2 LEU 65 1HD2 LEU 65 2.892 8.850 -1.490 531 2HD2 LEU 65 2HD2 LEU 65 2.291 8.987 0.163 532 3HD2 LEU 65 3HD2 LEU 65 2.325 7.415 -0.634 533 H LYS 66 H LYS 66 5.658 6.699 4.251 534 HA LYS 66 HA LYS 66 4.183 8.332 6.146 535 1HB LYS 66 2HB LYS 66 4.477 5.830 6.171 536 2HB LYS 66 1HB LYS 66 6.161 6.079 6.623 537 1HG LYS 66 2HG LYS 66 5.041 5.754 8.687 538 2HG LYS 66 1HG LYS 66 5.241 7.501 8.566 539 1HD LYS 66 2HD LYS 66 2.990 7.866 8.106 540 2HD LYS 66 1HD LYS 66 2.757 6.245 7.448 541 1HE LYS 66 2HE LYS 66 3.262 5.433 9.880 542 2HE LYS 66 1HE LYS 66 2.875 7.104 10.337 543 1HZ LYS 66 1HZ LYS 66 0.801 6.939 9.136 544 2HZ LYS 66 2HZ LYS 66 0.886 5.690 10.284 545 3HZ LYS 66 3HZ LYS 66 1.167 5.360 8.642 546 H GLU 67 H GLU 67 7.643 7.631 5.621 547 HA GLU 67 HA GLU 67 8.647 9.291 7.748 548 1HB GLU 67 2HB GLU 67 9.724 7.412 6.269 549 2HB GLU 67 1HB GLU 67 10.099 8.736 5.165 550 1HG GLU 67 2HG GLU 67 11.198 9.941 7.066 551 2HG GLU 67 1HG GLU 67 10.934 8.515 8.070 552 H LYS 68 H LYS 68 8.605 9.883 4.205 553 HA LYS 68 HA LYS 68 9.441 12.584 4.231 554 1HB LYS 68 2HB LYS 68 7.728 10.868 2.447 555 2HB LYS 68 1HB LYS 68 7.942 12.578 2.067 556 1HG LYS 68 2HG LYS 68 10.432 12.223 2.222 557 2HG LYS 68 1HG LYS 68 10.119 10.494 2.373 558 1HD LYS 68 2HD LYS 68 9.273 10.324 0.192 559 2HD LYS 68 1HD LYS 68 8.933 12.052 0.088 560 1HE LYS 68 2HE LYS 68 11.475 12.411 0.254 561 2HE LYS 68 1HE LYS 68 11.623 10.672 -0.071 562 1HZ LYS 68 1HZ LYS 68 10.090 12.605 -1.730 563 2HZ LYS 68 2HZ LYS 68 10.254 10.942 -2.034 564 3HZ LYS 68 3HZ LYS 68 11.608 11.965 -2.132 565 H TYR 69 H TYR 69 6.322 11.208 5.056 566 HA TYR 69 HA TYR 69 4.829 13.715 4.880 567 1HB TYR 69 2HB TYR 69 3.766 11.529 4.582 568 2HB TYR 69 1HB TYR 69 4.311 11.012 6.175 569 HD1 TYR 69 1HD TYR 69 1.867 13.014 4.318 570 HD2 TYR 69 2HD TYR 69 3.324 11.989 8.225 571 HE1 TYR 69 1HE TYR 69 -0.181 13.975 5.335 572 HE2 TYR 69 2HE TYR 69 1.277 12.947 9.241 573 HH TYR 69 HH TYR 69 -1.484 13.641 7.506 574 H GLU 70 H GLU 70 5.511 11.618 7.695 575 HA GLU 70 HA GLU 70 4.992 13.564 9.697 576 1HB GLU 70 2HB GLU 70 6.777 11.117 9.609 577 2HB GLU 70 1HB GLU 70 6.388 11.978 11.099 578 1HG GLU 70 2HG GLU 70 3.942 11.654 10.540 579 2HG GLU 70 1HG GLU 70 4.453 10.593 9.227 580 H LYS 71 H LYS 71 7.837 13.149 7.692 581 HA LYS 71 HA LYS 71 9.515 14.816 9.484 582 1HB LYS 71 2HB LYS 71 9.964 13.348 6.873 583 2HB LYS 71 1HB LYS 71 11.219 14.282 7.687 584 1HG LYS 71 2HG LYS 71 10.452 12.819 9.778 585 2HG LYS 71 1HG LYS 71 9.945 11.706 8.507 586 1HD LYS 71 2HD LYS 71 12.205 11.752 7.541 587 2HD LYS 71 1HD LYS 71 12.721 12.898 8.778 588 1HE LYS 71 2HE LYS 71 11.785 11.015 10.423 589 2HE LYS 71 1HE LYS 71 12.154 9.971 9.035 590 1HZ LYS 71 1HZ LYS 71 13.994 11.887 10.365 591 2HZ LYS 71 2HZ LYS 71 14.348 11.083 8.910 592 3HZ LYS 71 3HZ LYS 71 14.131 10.197 10.344 593 H ASP 72 H ASP 72 7.528 15.223 6.645 594 HA ASP 72 HA ASP 72 8.823 17.866 6.082 595 1HB ASP 72 2HB ASP 72 8.603 16.013 4.333 596 2HB ASP 72 1HB ASP 72 6.866 16.319 4.372 597 H ILE 73 H ILE 73 5.801 16.318 7.012 598 HA ILE 73 HA ILE 73 4.046 18.541 6.498 599 HB ILE 73 HB ILE 73 3.421 16.139 6.864 600 1HG1 ILE 73 2HG1 ILE 73 1.502 16.741 8.537 601 2HG1 ILE 73 1HG1 ILE 73 2.176 18.370 8.452 602 1HG2 ILE 73 1HG2 ILE 73 3.494 15.121 8.981 603 2HG2 ILE 73 2HG2 ILE 73 3.664 16.663 9.820 604 3HG2 ILE 73 3HG2 ILE 73 5.023 15.999 8.915 605 1HD1 ILE 73 1HD1 ILE 73 2.007 18.255 5.955 606 2HD1 ILE 73 2HD1 ILE 73 0.440 18.157 6.758 607 3HD1 ILE 73 3HD1 ILE 73 1.197 16.698 6.120 608 H ALA 74 H ALA 74 6.085 17.672 9.258 609 HA ALA 74 HA ALA 74 5.041 19.473 11.207 610 1HB ALA 74 1HB ALA 74 6.696 17.611 11.534 611 2HB ALA 74 2HB ALA 74 7.211 19.126 12.277 612 3HB ALA 74 3HB ALA 74 7.916 18.610 10.744 613 H ALA 75 H ALA 75 7.840 19.934 9.016 614 HA ALA 75 HA ALA 75 8.146 22.749 9.655 615 1HB ALA 75 1HB ALA 75 9.783 22.646 7.818 616 2HB ALA 75 2HB ALA 75 9.117 21.098 7.297 617 3HB ALA 75 3HB ALA 75 9.941 21.225 8.851 618 H TYR 76 H TYR 76 6.091 20.986 7.467 619 HA TYR 76 HA TYR 76 5.672 23.063 5.495 620 1HB TYR 76 2HB TYR 76 5.211 20.622 5.220 621 2HB TYR 76 1HB TYR 76 3.893 20.765 6.383 622 HD1 TYR 76 1HD TYR 76 1.776 21.691 5.759 623 HD2 TYR 76 2HD TYR 76 5.108 21.892 3.055 624 HE1 TYR 76 1HE TYR 76 0.259 22.441 3.945 625 HE2 TYR 76 2HE TYR 76 3.591 22.642 1.242 626 HH TYR 76 HH TYR 76 1.096 23.953 1.359 627 H ARG 77 H ARG 77 3.993 22.136 8.499 628 HA ARG 77 HA ARG 77 1.884 24.125 8.202 629 1HB ARG 77 2HB ARG 77 2.878 22.242 10.334 630 2HB ARG 77 1HB ARG 77 1.638 23.436 10.720 631 1HG ARG 77 2HG ARG 77 0.130 22.543 9.103 632 2HG ARG 77 1HG ARG 77 1.397 21.569 8.355 633 1HD ARG 77 2HD ARG 77 1.304 19.943 9.995 634 2HD ARG 77 1HD ARG 77 0.843 21.101 11.258 635 HE ARG 77 HE ARG 77 -1.020 20.062 9.161 636 1HH1 ARG 77 1HH2 ARG 77 -1.315 19.232 12.028 637 2HH1 ARG 77 2HH2 ARG 77 -2.528 20.328 12.598 638 1HH2 ARG 77 1HH1 ARG 77 -2.170 22.525 9.940 639 2HH2 ARG 77 2HH1 ARG 77 -3.012 22.193 11.417 640 H ALA 78 H ALA 78 3.938 23.974 11.111 641 HA ALA 78 HA ALA 78 5.276 26.509 10.671 642 1HB ALA 78 1HB ALA 78 3.171 27.538 10.934 643 2HB ALA 78 2HB ALA 78 3.833 27.598 12.567 644 3HB ALA 78 3HB ALA 78 2.647 26.365 12.141 645 H LYS 79 H LYS 79 5.975 23.866 11.646 646 HA LYS 79 HA LYS 79 6.294 24.074 14.567 647 1HB LYS 79 2HB LYS 79 7.026 22.096 12.423 648 2HB LYS 79 1HB LYS 79 7.518 21.867 14.097 649 1HG LYS 79 2HG LYS 79 4.648 22.302 13.226 650 2HG LYS 79 1HG LYS 79 5.359 20.712 13.506 651 1HD LYS 79 2HD LYS 79 6.062 21.782 15.820 652 2HD LYS 79 1HD LYS 79 4.721 22.877 15.479 653 1HE LYS 79 2HE LYS 79 3.414 20.639 14.948 654 2HE LYS 79 1HE LYS 79 4.659 19.917 15.987 655 1HZ LYS 79 1HZ LYS 79 2.710 20.765 17.238 656 2HZ LYS 79 2HZ LYS 79 3.084 22.333 16.701 657 3HZ LYS 79 3HZ LYS 79 4.172 21.491 17.699 Start of MODEL 13 1 1H MET 1 1HT MET 1 -11.931 19.181 -0.983 2 2H MET 1 2HT MET 1 -13.553 19.206 -1.487 3 3H MET 1 3HT MET 1 -12.785 17.726 -1.159 4 HA MET 1 HA MET 1 -13.443 19.841 0.832 5 1HB MET 1 2HB MET 1 -15.187 18.262 -0.320 6 2HB MET 1 1HB MET 1 -14.456 17.008 0.682 7 1HG MET 1 2HG MET 1 -15.087 18.068 2.688 8 2HG MET 1 1HG MET 1 -15.344 19.621 1.891 9 1HE MET 1 1HE MET 1 -17.868 18.900 3.715 10 2HE MET 1 2HE MET 1 -18.892 19.568 2.446 11 3HE MET 1 3HE MET 1 -17.281 20.230 2.707 12 H LYS 2 H LYS 2 -12.564 16.370 0.588 13 HA LYS 2 HA LYS 2 -10.798 16.730 2.981 14 1HB LYS 2 2HB LYS 2 -12.482 14.523 1.833 15 2HB LYS 2 1HB LYS 2 -11.111 14.104 2.860 16 1HG LYS 2 2HG LYS 2 -12.742 14.335 4.482 17 2HG LYS 2 1HG LYS 2 -12.156 15.998 4.415 18 1HD LYS 2 2HD LYS 2 -14.420 16.389 4.169 19 2HD LYS 2 1HD LYS 2 -13.981 16.174 2.474 20 1HE LYS 2 2HE LYS 2 -14.430 13.573 3.291 21 2HE LYS 2 1HE LYS 2 -15.651 14.486 4.201 22 1HZ LYS 2 1HZ LYS 2 -15.139 14.644 1.278 23 2HZ LYS 2 2HZ LYS 2 -16.207 15.659 2.124 24 3HZ LYS 2 3HZ LYS 2 -16.514 13.991 2.024 25 H LYS 3 H LYS 3 -8.962 17.467 1.693 26 HA LYS 3 HA LYS 3 -7.288 15.329 0.698 27 1HB LYS 3 2HB LYS 3 -9.159 16.169 -1.079 28 2HB LYS 3 1HB LYS 3 -7.865 17.311 -1.441 29 1HG LYS 3 2HG LYS 3 -6.386 15.090 -1.351 30 2HG LYS 3 1HG LYS 3 -7.926 14.345 -1.783 31 1HD LYS 3 2HD LYS 3 -8.065 15.497 -3.814 32 2HD LYS 3 1HD LYS 3 -6.974 16.775 -3.276 33 1HE LYS 3 2HE LYS 3 -5.148 14.954 -3.186 34 2HE LYS 3 1HE LYS 3 -6.270 13.962 -4.140 35 1HZ LYS 3 1HZ LYS 3 -4.804 15.325 -5.550 36 2HZ LYS 3 2HZ LYS 3 -5.436 16.730 -4.835 37 3HZ LYS 3 3HZ LYS 3 -6.440 15.718 -5.759 38 H LYS 4 H LYS 4 -5.707 17.063 -1.037 39 HA LYS 4 HA LYS 4 -5.024 19.487 0.396 40 1HB LYS 4 2HB LYS 4 -4.138 17.136 1.505 41 2HB LYS 4 1HB LYS 4 -2.776 17.570 0.474 42 1HG LYS 4 2HG LYS 4 -2.803 19.859 1.500 43 2HG LYS 4 1HG LYS 4 -4.047 19.295 2.618 44 1HD LYS 4 2HD LYS 4 -2.287 17.344 3.039 45 2HD LYS 4 1HD LYS 4 -1.148 18.570 2.484 46 1HE LYS 4 2HE LYS 4 -1.192 19.097 4.747 47 2HE LYS 4 1HE LYS 4 -2.566 20.083 4.206 48 1HZ LYS 4 1HZ LYS 4 -2.753 17.265 5.129 49 2HZ LYS 4 2HZ LYS 4 -4.052 18.260 4.668 50 3HZ LYS 4 3HZ LYS 4 -3.160 18.616 6.070 51 H ASP 5 H ASP 5 -2.192 19.324 -0.452 52 HA ASP 5 HA ASP 5 -2.607 19.620 -3.403 53 1HB ASP 5 2HB ASP 5 -1.200 21.072 -1.264 54 2HB ASP 5 1HB ASP 5 -0.225 20.850 -2.717 55 HA PRO 6 HA PRO 6 0.339 16.439 -4.199 56 1HB PRO 6 2HB PRO 6 1.894 17.454 -6.208 57 2HB PRO 6 1HB PRO 6 0.218 16.928 -6.458 58 1HG PRO 6 2HG PRO 6 1.309 19.676 -6.116 59 2HG PRO 6 1HG PRO 6 0.020 19.096 -7.183 60 1HD PRO 6 2HD PRO 6 -0.444 20.409 -4.840 61 2HD PRO 6 1HD PRO 6 -1.576 19.238 -5.550 62 H ASN 7 H ASN 7 1.654 19.666 -3.659 63 HA ASN 7 HA ASN 7 4.378 18.759 -3.110 64 1HB ASN 7 2HB ASN 7 2.859 21.342 -2.643 65 2HB ASN 7 1HB ASN 7 4.594 21.162 -2.381 66 1HD2 ASN 7 1HD2 ASN 7 5.974 21.088 -4.242 67 2HD2 ASN 7 2HD2 ASN 7 5.397 21.304 -5.823 68 H ALA 8 H ALA 8 1.445 18.886 -1.266 69 HA ALA 8 HA ALA 8 2.931 18.889 1.319 70 1HB ALA 8 1HB ALA 8 0.723 19.328 2.264 71 2HB ALA 8 2HB ALA 8 -0.041 18.986 0.711 72 3HB ALA 8 3HB ALA 8 0.978 20.413 0.897 73 HA PRO 9 HA PRO 9 2.399 14.437 1.187 74 1HB PRO 9 2HB PRO 9 3.287 13.870 3.711 75 2HB PRO 9 1HB PRO 9 4.379 14.242 2.361 76 1HG PRO 9 2HG PRO 9 3.437 16.004 4.572 77 2HG PRO 9 1HG PRO 9 5.043 15.879 3.835 78 1HD PRO 9 2HD PRO 9 3.287 17.867 3.243 79 2HD PRO 9 1HD PRO 9 4.488 17.256 2.084 80 H LYS 10 H LYS 10 0.159 14.119 1.197 81 HA LYS 10 HA LYS 10 -1.679 14.911 3.210 82 1HB LYS 10 2HB LYS 10 -3.140 13.216 2.113 83 2HB LYS 10 1HB LYS 10 -2.291 14.215 0.937 84 1HG LYS 10 2HG LYS 10 -0.644 11.940 1.601 85 2HG LYS 10 1HG LYS 10 -2.254 11.377 1.157 86 1HD LYS 10 2HD LYS 10 -2.154 12.600 -0.946 87 2HD LYS 10 1HD LYS 10 -0.606 13.315 -0.493 88 1HE LYS 10 2HE LYS 10 0.265 10.894 -0.289 89 2HE LYS 10 1HE LYS 10 -1.198 10.430 -1.182 90 1HZ LYS 10 1HZ LYS 10 -0.641 11.959 -2.919 91 2HZ LYS 10 2HZ LYS 10 0.709 10.962 -2.648 92 3HZ LYS 10 3HZ LYS 10 0.689 12.553 -2.052 93 H ARG 11 H ARG 11 -3.063 12.643 4.028 94 HA ARG 11 HA ARG 11 -1.745 11.825 6.395 95 1HB ARG 11 2HB ARG 11 -4.069 10.934 4.740 96 2HB ARG 11 1HB ARG 11 -3.517 9.845 6.014 97 1HG ARG 11 2HG ARG 11 -5.174 11.271 7.006 98 2HG ARG 11 1HG ARG 11 -3.609 11.835 7.595 99 1HD ARG 11 2HD ARG 11 -3.590 13.673 6.027 100 2HD ARG 11 1HD ARG 11 -5.020 13.037 5.188 101 HE ARG 11 HE ARG 11 -5.334 13.566 8.079 102 1HH1 ARG 11 1HH2 ARG 11 -7.681 13.324 6.289 103 2HH1 ARG 11 2HH2 ARG 11 -8.115 14.977 6.001 104 1HH2 ARG 11 1HH1 ARG 11 -5.069 16.240 7.077 105 2HH2 ARG 11 2HH1 ARG 11 -6.636 16.627 6.448 106 HA PRO 12 HA PRO 12 0.982 8.692 4.870 107 1HB PRO 12 2HB PRO 12 1.495 7.349 7.192 108 2HB PRO 12 1HB PRO 12 2.175 8.947 6.830 109 1HG PRO 12 2HG PRO 12 -0.046 8.206 8.633 110 2HG PRO 12 1HG PRO 12 1.117 9.532 8.749 111 1HD PRO 12 2HD PRO 12 -1.522 9.755 7.891 112 2HD PRO 12 1HD PRO 12 -0.240 10.955 7.632 113 HA PRO 13 HA PRO 13 -2.020 5.366 4.489 114 1HB PRO 13 2HB PRO 13 -0.821 4.043 2.424 115 2HB PRO 13 1HB PRO 13 -1.766 5.527 2.201 116 1HG PRO 13 2HG PRO 13 1.152 5.126 2.139 117 2HG PRO 13 1HG PRO 13 0.158 6.341 1.326 118 1HD PRO 13 2HD PRO 13 1.702 6.713 3.646 119 2HD PRO 13 1HD PRO 13 0.495 7.835 2.987 120 H SER 14 H SER 14 -1.721 2.813 4.281 121 HA SER 14 HA SER 14 0.764 1.761 5.457 122 1HB SER 14 2HB SER 14 -0.575 2.831 7.316 123 2HB SER 14 1HB SER 14 -1.847 1.656 6.994 124 HG SER 14 HG SER 14 0.706 1.311 8.085 125 H ALA 15 H ALA 15 0.005 0.840 3.094 126 HA ALA 15 HA ALA 15 -0.525 -1.103 1.926 127 1HB ALA 15 1HB ALA 15 0.015 -1.900 4.602 128 2HB ALA 15 2HB ALA 15 0.058 -2.909 3.158 129 3HB ALA 15 3HB ALA 15 -1.427 -2.783 4.099 130 H PHE 16 H PHE 16 -2.825 -1.484 4.641 131 HA PHE 16 HA PHE 16 -5.106 -2.082 3.122 132 1HB PHE 16 2HB PHE 16 -4.655 -2.084 5.643 133 2HB PHE 16 1HB PHE 16 -5.087 -0.376 5.612 134 HD1 PHE 16 1HD PHE 16 -7.281 0.072 6.229 135 HD2 PHE 16 2HD PHE 16 -6.414 -3.545 4.081 136 HE1 PHE 16 1HE PHE 16 -9.686 -0.529 6.269 137 HE2 PHE 16 2HE PHE 16 -8.819 -4.147 4.122 138 HZ PHE 16 HZ PHE 16 -10.456 -2.638 5.216 139 H PHE 17 H PHE 17 -3.926 1.131 4.133 140 HA PHE 17 HA PHE 17 -6.095 2.675 3.074 141 1HB PHE 17 2HB PHE 17 -4.089 3.256 4.651 142 2HB PHE 17 1HB PHE 17 -3.215 3.576 3.152 143 HD1 PHE 17 1HD PHE 17 -4.221 5.225 1.481 144 HD2 PHE 17 2HD PHE 17 -5.625 4.834 5.521 145 HE1 PHE 17 1HE PHE 17 -5.308 7.448 1.319 146 HE2 PHE 17 2HE PHE 17 -6.712 7.056 5.360 147 HZ PHE 17 HZ PHE 17 -6.553 8.364 3.258 148 H LEU 18 H LEU 18 -3.231 1.231 1.596 149 HA LEU 18 HA LEU 18 -3.472 2.709 -0.912 150 1HB LEU 18 2HB LEU 18 -1.946 0.165 -0.265 151 2HB LEU 18 1HB LEU 18 -1.609 1.297 -1.569 152 HG LEU 18 HG LEU 18 -1.374 1.878 1.404 153 1HD1 LEU 18 1HD1 LEU 18 0.504 0.591 0.835 154 2HD1 LEU 18 2HD1 LEU 18 1.077 2.241 0.596 155 3HD1 LEU 18 3HD1 LEU 18 0.593 1.266 -0.792 156 1HD2 LEU 18 1HD2 LEU 18 -0.273 4.007 0.501 157 2HD2 LEU 18 2HD2 LEU 18 -2.024 3.917 0.315 158 3HD2 LEU 18 3HD2 LEU 18 -0.973 3.594 -1.064 159 H PHE 19 H PHE 19 -4.292 -0.575 0.260 160 HA PHE 19 HA PHE 19 -5.128 -1.658 -2.258 161 1HB PHE 19 2HB PHE 19 -4.635 -2.772 0.024 162 2HB PHE 19 1HB PHE 19 -6.287 -2.329 0.454 163 HD1 PHE 19 1HD PHE 19 -4.215 -4.285 -1.924 164 HD2 PHE 19 2HD PHE 19 -8.174 -3.484 -0.465 165 HE1 PHE 19 1HE PHE 19 -5.068 -6.260 -3.157 166 HE2 PHE 19 2HE PHE 19 -9.029 -5.459 -1.698 167 HZ PHE 19 HZ PHE 19 -7.475 -6.847 -3.046 168 H CYS 20 H CYS 20 -7.013 -0.165 0.396 169 HA CYS 20 HA CYS 20 -9.571 -0.280 -0.877 170 1HB CYS 20 2HB CYS 20 -8.882 0.267 1.551 171 2HB CYS 20 1HB CYS 20 -8.602 1.910 0.973 172 HG CYS 20 HG CYS 20 -11.388 0.508 1.041 173 H SER 21 H SER 21 -6.855 1.911 -1.250 174 HA SER 21 HA SER 21 -8.467 3.736 -2.976 175 1HB SER 21 2HB SER 21 -7.023 4.526 -1.044 176 2HB SER 21 1HB SER 21 -5.621 4.002 -1.971 177 HG SER 21 HG SER 21 -7.471 6.058 -2.499 178 H GLU 22 H GLU 22 -7.246 0.934 -3.703 179 HA GLU 22 HA GLU 22 -6.041 1.858 -6.266 180 1HB GLU 22 2HB GLU 22 -4.887 -0.048 -4.252 181 2HB GLU 22 1HB GLU 22 -4.341 -0.017 -5.923 182 1HG GLU 22 2HG GLU 22 -4.362 2.400 -4.091 183 2HG GLU 22 1HG GLU 22 -2.941 1.407 -4.413 184 H TYR 23 H TYR 23 -8.121 -0.365 -4.613 185 HA TYR 23 HA TYR 23 -8.295 -2.075 -7.068 186 1HB TYR 23 2HB TYR 23 -8.526 -2.596 -4.111 187 2HB TYR 23 1HB TYR 23 -9.270 -3.699 -5.269 188 HD1 TYR 23 1HD TYR 23 -7.937 -5.131 -6.681 189 HD2 TYR 23 2HD TYR 23 -6.070 -2.232 -4.119 190 HE1 TYR 23 1HE TYR 23 -5.733 -6.190 -7.090 191 HE2 TYR 23 2HE TYR 23 -3.865 -3.292 -4.527 192 HH TYR 23 HH TYR 23 -3.245 -5.347 -7.003 193 H ARG 24 H ARG 24 -9.799 0.494 -6.253 194 HA ARG 24 HA ARG 24 -12.537 -0.434 -5.800 195 1HB ARG 24 2HB ARG 24 -11.343 2.289 -6.370 196 2HB ARG 24 1HB ARG 24 -13.006 1.983 -5.870 197 1HG ARG 24 2HG ARG 24 -12.119 0.861 -3.808 198 2HG ARG 24 1HG ARG 24 -10.499 1.381 -4.279 199 1HD ARG 24 2HD ARG 24 -10.894 3.564 -3.698 200 2HD ARG 24 1HD ARG 24 -12.576 3.510 -4.266 201 HE ARG 24 HE ARG 24 -11.759 2.100 -1.756 202 1HH1 ARG 24 1HH1 ARG 24 -12.646 5.112 -1.942 203 2HH1 ARG 24 2HH1 ARG 24 -14.279 4.960 -1.386 204 1HH2 ARG 24 1HH2 ARG 24 -14.358 1.511 -1.732 205 2HH2 ARG 24 2HH2 ARG 24 -15.248 2.921 -1.268 206 HA PRO 25 HA PRO 25 -13.054 1.293 -10.275 207 1HB PRO 25 2HB PRO 25 -10.840 1.317 -11.884 208 2HB PRO 25 1HB PRO 25 -11.386 2.720 -10.945 209 1HG PRO 25 2HG PRO 25 -9.220 0.771 -10.350 210 2HG PRO 25 1HG PRO 25 -9.263 2.524 -10.103 211 1HD PRO 25 2HD PRO 25 -9.624 0.743 -8.115 212 2HD PRO 25 1HD PRO 25 -10.381 2.347 -8.103 213 H LYS 26 H LYS 26 -11.068 -1.351 -9.286 214 HA LYS 26 HA LYS 26 -11.349 -2.998 -11.677 215 1HB LYS 26 2HB LYS 26 -9.626 -3.163 -9.789 216 2HB LYS 26 1HB LYS 26 -10.926 -3.821 -8.789 217 1HG LYS 26 2HG LYS 26 -10.389 -5.029 -11.487 218 2HG LYS 26 1HG LYS 26 -9.353 -5.460 -10.125 219 1HD LYS 26 2HD LYS 26 -11.564 -5.892 -8.845 220 2HD LYS 26 1HD LYS 26 -12.319 -5.900 -10.439 221 1HE LYS 26 2HE LYS 26 -11.782 -8.168 -10.181 222 2HE LYS 26 1HE LYS 26 -10.328 -7.574 -11.007 223 1HZ LYS 26 1HZ LYS 26 -9.321 -7.152 -8.845 224 2HZ LYS 26 2HZ LYS 26 -9.734 -8.793 -9.003 225 3HZ LYS 26 3HZ LYS 26 -10.699 -7.758 -8.063 226 H ILE 27 H ILE 27 -12.841 -2.999 -8.441 227 HA ILE 27 HA ILE 27 -14.817 -4.968 -8.735 228 HB ILE 27 HB ILE 27 -15.100 -2.269 -7.363 229 1HG1 ILE 27 2HG1 ILE 27 -13.023 -3.178 -6.561 230 2HG1 ILE 27 1HG1 ILE 27 -14.223 -3.489 -5.324 231 1HG2 ILE 27 1HG2 ILE 27 -17.174 -3.465 -7.368 232 2HG2 ILE 27 2HG2 ILE 27 -16.482 -3.622 -5.754 233 3HG2 ILE 27 3HG2 ILE 27 -16.378 -4.965 -6.892 234 1HD1 ILE 27 1HD1 ILE 27 -13.010 -5.515 -5.549 235 2HD1 ILE 27 2HD1 ILE 27 -13.058 -5.437 -7.310 236 3HD1 ILE 27 3HD1 ILE 27 -14.530 -5.785 -6.401 237 H LYS 28 H LYS 28 -14.787 -1.650 -9.885 238 HA LYS 28 HA LYS 28 -17.602 -1.510 -10.538 239 1HB LYS 28 2HB LYS 28 -15.572 0.180 -11.970 240 2HB LYS 28 1HB LYS 28 -17.134 0.634 -11.307 241 1HG LYS 28 2HG LYS 28 -14.527 0.260 -9.862 242 2HG LYS 28 1HG LYS 28 -15.493 1.714 -9.963 243 1HD LYS 28 2HD LYS 28 -16.200 -0.814 -8.431 244 2HD LYS 28 1HD LYS 28 -15.719 0.732 -7.744 245 1HE LYS 28 2HE LYS 28 -18.134 0.501 -9.562 246 2HE LYS 28 1HE LYS 28 -18.251 0.268 -7.806 247 1HZ LYS 28 1HZ LYS 28 -18.578 2.584 -8.299 248 2HZ LYS 28 2HZ LYS 28 -17.147 2.644 -9.212 249 3HZ LYS 28 3HZ LYS 28 -17.077 2.404 -7.531 250 H SER 29 H SER 29 -14.696 -2.357 -12.386 251 HA SER 29 HA SER 29 -15.809 -2.430 -14.999 252 1HB SER 29 2HB SER 29 -13.403 -2.627 -14.348 253 2HB SER 29 1HB SER 29 -13.725 -4.252 -13.751 254 HG SER 29 HG SER 29 -13.958 -4.956 -15.760 255 H GLU 30 H GLU 30 -16.191 -4.650 -12.309 256 HA GLU 30 HA GLU 30 -17.704 -6.530 -14.096 257 1HB GLU 30 2HB GLU 30 -15.673 -6.825 -12.002 258 2HB GLU 30 1HB GLU 30 -17.080 -7.845 -11.716 259 1HG GLU 30 2HG GLU 30 -15.801 -7.726 -14.442 260 2HG GLU 30 1HG GLU 30 -15.161 -8.794 -13.191 261 H HIS 31 H HIS 31 -17.867 -4.494 -11.260 262 HA HIS 31 HA HIS 31 -20.648 -5.499 -10.739 263 1HB HIS 31 2HB HIS 31 -18.747 -4.195 -8.765 264 2HB HIS 31 1HB HIS 31 -20.273 -4.988 -8.403 265 HD1 HIS 31 1HD HIS 31 -16.683 -5.668 -9.070 266 HD2 HIS 31 2HD HIS 31 -20.187 -7.878 -8.608 267 HE1 HIS 31 1HE HIS 31 -15.973 -8.077 -8.766 268 HA PRO 32 HA PRO 32 -21.077 -1.136 -12.009 269 1HB PRO 32 2HB PRO 32 -23.589 -1.398 -13.062 270 2HB PRO 32 1HB PRO 32 -22.113 -1.775 -13.968 271 1HG PRO 32 2HG PRO 32 -24.050 -3.603 -12.671 272 2HG PRO 32 1HG PRO 32 -23.097 -3.822 -14.146 273 1HD PRO 32 2HD PRO 32 -22.500 -4.947 -11.700 274 2HD PRO 32 1HD PRO 32 -21.341 -4.706 -13.022 275 H GLY 33 H GLY 33 -23.493 -3.197 -10.411 276 1HA GLY 33 2HA GLY 33 -24.885 -0.964 -9.168 277 2HA GLY 33 1HA GLY 33 -25.123 -2.669 -8.799 278 H LEU 34 H LEU 34 -21.917 -2.493 -8.505 279 HA LEU 34 HA LEU 34 -21.880 -2.529 -5.636 280 1HB LEU 34 2HB LEU 34 -20.112 -2.922 -7.877 281 2HB LEU 34 1HB LEU 34 -19.301 -1.898 -6.699 282 HG LEU 34 HG LEU 34 -18.904 -4.341 -6.327 283 1HD1 LEU 34 1HD1 LEU 34 -18.514 -3.321 -4.335 284 2HD1 LEU 34 2HD1 LEU 34 -19.991 -4.150 -3.846 285 3HD1 LEU 34 3HD1 LEU 34 -20.052 -2.461 -4.352 286 1HD2 LEU 34 1HD2 LEU 34 -20.591 -5.856 -6.050 287 2HD2 LEU 34 2HD2 LEU 34 -21.558 -4.660 -6.913 288 3HD2 LEU 34 3HD2 LEU 34 -21.598 -4.720 -5.151 289 H SER 35 H SER 35 -23.013 -0.460 -5.148 290 HA SER 35 HA SER 35 -21.780 2.099 -5.831 291 1HB SER 35 2HB SER 35 -24.175 1.889 -5.446 292 2HB SER 35 1HB SER 35 -23.898 1.212 -3.843 293 HG SER 35 HG SER 35 -23.608 3.841 -4.775 294 H ILE 36 H ILE 36 -21.200 3.622 -3.882 295 HA ILE 36 HA ILE 36 -18.876 2.760 -2.562 296 HB ILE 36 HB ILE 36 -20.945 4.829 -1.751 297 1HG1 ILE 36 2HG1 ILE 36 -19.988 5.172 -4.004 298 2HG1 ILE 36 1HG1 ILE 36 -19.409 6.406 -2.887 299 1HG2 ILE 36 1HG2 ILE 36 -18.925 5.886 -0.593 300 2HG2 ILE 36 2HG2 ILE 36 -18.116 4.331 -0.794 301 3HG2 ILE 36 3HG2 ILE 36 -19.583 4.442 0.178 302 1HD1 ILE 36 1HD1 ILE 36 -17.499 5.653 -4.136 303 2HD1 ILE 36 2HD1 ILE 36 -17.911 3.960 -3.863 304 3HD1 ILE 36 3HD1 ILE 36 -17.353 4.958 -2.521 305 H GLY 37 H GLY 37 -22.237 2.341 -1.586 306 1HA GLY 37 2HA GLY 37 -21.837 1.663 1.151 307 2HA GLY 37 1HA GLY 37 -23.186 1.095 0.163 308 H ASP 38 H ASP 38 -22.682 -0.758 -1.322 309 HA ASP 38 HA ASP 38 -21.465 -2.936 0.109 310 1HB ASP 38 2HB ASP 38 -23.319 -2.943 -1.647 311 2HB ASP 38 1HB ASP 38 -22.049 -2.762 -2.858 312 H THR 39 H THR 39 -20.088 -0.537 -2.031 313 HA THR 39 HA THR 39 -17.823 -2.133 -2.919 314 HB THR 39 HB THR 39 -18.391 0.845 -2.794 315 HG1 THR 39 1HG THR 39 -19.655 -0.509 -4.190 316 1HG2 THR 39 1HG2 THR 39 -16.524 0.938 -4.543 317 2HG2 THR 39 2HG2 THR 39 -16.074 -0.680 -4.006 318 3HG2 THR 39 3HG2 THR 39 -16.006 0.674 -2.878 319 H ALA 40 H ALA 40 -18.273 0.326 -0.365 320 HA ALA 40 HA ALA 40 -15.654 0.477 0.658 321 1HB ALA 40 1HB ALA 40 -16.846 1.043 2.802 322 2HB ALA 40 2HB ALA 40 -18.347 0.494 2.057 323 3HB ALA 40 3HB ALA 40 -17.495 1.891 1.399 324 H LYS 41 H LYS 41 -18.213 -1.862 1.490 325 HA LYS 41 HA LYS 41 -16.477 -3.365 3.292 326 1HB LYS 41 2HB LYS 41 -18.465 -4.787 3.515 327 2HB LYS 41 1HB LYS 41 -18.917 -3.091 3.611 328 1HG LYS 41 2HG LYS 41 -19.339 -3.312 1.053 329 2HG LYS 41 1HG LYS 41 -19.359 -5.043 1.368 330 1HD LYS 41 2HD LYS 41 -21.632 -4.273 1.553 331 2HD LYS 41 1HD LYS 41 -21.057 -4.589 3.189 332 1HE LYS 41 2HE LYS 41 -20.344 -1.896 2.652 333 2HE LYS 41 1HE LYS 41 -22.012 -2.093 2.075 334 1HZ LYS 41 1HZ LYS 41 -21.974 -1.610 4.448 335 2HZ LYS 41 2HZ LYS 41 -20.985 -2.964 4.726 336 3HZ LYS 41 3HZ LYS 41 -22.576 -3.171 4.165 337 H LYS 42 H LYS 42 -16.873 -3.341 -0.137 338 HA LYS 42 HA LYS 42 -16.306 -6.190 -0.564 339 1HB LYS 42 2HB LYS 42 -17.454 -4.188 -2.004 340 2HB LYS 42 1HB LYS 42 -15.838 -4.170 -2.690 341 1HG LYS 42 2HG LYS 42 -17.010 -5.714 -4.035 342 2HG LYS 42 1HG LYS 42 -16.124 -6.735 -2.900 343 1HD LYS 42 2HD LYS 42 -18.805 -5.846 -1.997 344 2HD LYS 42 1HD LYS 42 -18.795 -6.967 -3.358 345 1HE LYS 42 2HE LYS 42 -16.885 -7.943 -1.476 346 2HE LYS 42 1HE LYS 42 -18.363 -7.558 -0.578 347 1HZ LYS 42 1HZ LYS 42 -18.470 -9.783 -1.557 348 2HZ LYS 42 2HZ LYS 42 -18.248 -9.121 -3.106 349 3HZ LYS 42 3HZ LYS 42 -19.652 -8.763 -2.218 350 H LEU 43 H LEU 43 -14.384 -3.737 0.592 351 HA LEU 43 HA LEU 43 -11.958 -4.600 -0.920 352 1HB LEU 43 2HB LEU 43 -12.872 -2.160 0.565 353 2HB LEU 43 1HB LEU 43 -11.138 -2.468 0.445 354 HG LEU 43 HG LEU 43 -12.866 -2.630 -2.011 355 1HD1 LEU 43 1HD1 LEU 43 -12.980 -0.358 -2.297 356 2HD1 LEU 43 2HD1 LEU 43 -11.473 -0.067 -1.428 357 3HD1 LEU 43 3HD1 LEU 43 -12.962 -0.372 -0.534 358 1HD2 LEU 43 1HD2 LEU 43 -10.604 -1.694 -2.915 359 2HD2 LEU 43 2HD2 LEU 43 -10.675 -3.385 -2.421 360 3HD2 LEU 43 3HD2 LEU 43 -9.960 -2.182 -1.348 361 H GLY 44 H GLY 44 -13.440 -4.415 2.275 362 1HA GLY 44 2HA GLY 44 -11.030 -5.272 3.693 363 2HA GLY 44 1HA GLY 44 -12.647 -5.127 4.388 364 H GLU 45 H GLU 45 -14.066 -6.763 2.597 365 HA GLU 45 HA GLU 45 -13.783 -9.357 3.688 366 1HB GLU 45 2HB GLU 45 -15.096 -8.076 1.340 367 2HB GLU 45 1HB GLU 45 -14.970 -9.835 1.307 368 1HG GLU 45 2HG GLU 45 -16.006 -8.373 3.737 369 2HG GLU 45 1HG GLU 45 -17.074 -8.833 2.410 370 H MET 46 H MET 46 -12.469 -8.047 0.638 371 HA MET 46 HA MET 46 -11.171 -10.532 -0.153 372 1HB MET 46 2HB MET 46 -10.972 -7.622 -0.977 373 2HB MET 46 1HB MET 46 -10.039 -8.895 -1.766 374 1HG MET 46 2HG MET 46 -13.041 -9.065 -1.462 375 2HG MET 46 1HG MET 46 -12.283 -8.285 -2.851 376 1HE MET 46 1HE MET 46 -13.997 -9.951 -3.763 377 2HE MET 46 2HE MET 46 -14.196 -11.289 -2.635 378 3HE MET 46 3HE MET 46 -13.585 -11.598 -4.258 379 H TRP 47 H TRP 47 -9.981 -7.416 1.141 380 HA TRP 47 HA TRP 47 -7.244 -7.936 1.380 381 1HB TRP 47 2HB TRP 47 -8.486 -5.822 1.891 382 2HB TRP 47 1HB TRP 47 -9.028 -6.547 3.405 383 HD1 TRP 47 HD TRP 47 -7.547 -6.068 5.404 384 HE1 TRP 47 1HE TRP 47 -5.086 -5.390 5.765 385 HE3 TRP 47 3HE TRP 47 -5.896 -6.141 0.573 386 HZ2 TRP 47 2HZ TRP 47 -2.728 -4.937 4.209 387 HZ3 TRP 47 3HZ TRP 47 -3.540 -5.583 0.040 388 HH2 TRP 47 HH TRP 47 -1.956 -4.982 1.851 389 H SER 48 H SER 48 -9.698 -8.606 3.923 390 HA SER 48 HA SER 48 -7.952 -9.887 5.772 391 1HB SER 48 2HB SER 48 -10.240 -9.083 6.246 392 2HB SER 48 1HB SER 48 -10.901 -10.329 5.190 393 HG SER 48 HG SER 48 -9.986 -10.490 7.764 394 H GLU 49 H GLU 49 -9.734 -11.171 2.983 395 HA GLU 49 HA GLU 49 -9.314 -13.964 3.481 396 1HB GLU 49 2HB GLU 49 -10.114 -12.166 1.274 397 2HB GLU 49 1HB GLU 49 -9.411 -13.696 0.747 398 1HG GLU 49 2HG GLU 49 -11.545 -13.629 2.876 399 2HG GLU 49 1HG GLU 49 -11.973 -13.616 1.165 400 H GLN 50 H GLN 50 -7.377 -11.538 1.737 401 HA GLN 50 HA GLN 50 -5.385 -13.228 0.624 402 1HB GLN 50 2HB GLN 50 -5.329 -10.396 1.701 403 2HB GLN 50 1HB GLN 50 -4.007 -11.102 0.771 404 1HG GLN 50 2HG GLN 50 -6.863 -11.004 -0.227 405 2HG GLN 50 1HG GLN 50 -5.669 -9.760 -0.596 406 1HE2 GLN 50 1HE2 GLN 50 -7.038 -12.012 -2.286 407 2HE2 GLN 50 2HE2 GLN 50 -5.730 -12.738 -3.088 408 H SER 51 H SER 51 -3.248 -13.740 1.398 409 HA SER 51 HA SER 51 -3.115 -14.116 4.352 410 1HB SER 51 2HB SER 51 -2.897 -16.018 2.710 411 2HB SER 51 1HB SER 51 -1.429 -15.262 2.100 412 HG SER 51 HG SER 51 -1.294 -16.936 3.861 413 H ALA 52 H ALA 52 -0.162 -14.414 4.222 414 HA ALA 52 HA ALA 52 0.542 -11.550 4.441 415 1HB ALA 52 1HB ALA 52 1.183 -13.073 6.215 416 2HB ALA 52 2HB ALA 52 2.653 -12.580 5.376 417 3HB ALA 52 3HB ALA 52 1.948 -14.165 5.061 418 H LYS 53 H LYS 53 0.052 -12.222 1.758 419 HA LYS 53 HA LYS 53 2.821 -12.246 0.597 420 1HB LYS 53 2HB LYS 53 0.253 -13.618 -0.198 421 2HB LYS 53 1HB LYS 53 1.531 -13.338 -1.382 422 1HG LYS 53 2HG LYS 53 3.118 -14.602 -0.067 423 2HG LYS 53 1HG LYS 53 1.971 -14.741 1.267 424 1HD LYS 53 2HD LYS 53 0.623 -16.270 0.124 425 2HD LYS 53 1HD LYS 53 1.216 -15.761 -1.458 426 1HE LYS 53 2HE LYS 53 3.272 -16.923 -1.189 427 2HE LYS 53 1HE LYS 53 3.034 -17.098 0.562 428 1HZ LYS 53 1HZ LYS 53 2.435 -19.137 -0.614 429 2HZ LYS 53 2HZ LYS 53 1.297 -18.281 -1.541 430 3HZ LYS 53 3HZ LYS 53 1.080 -18.447 0.136 431 H ASP 54 H ASP 54 -0.582 -11.356 -0.089 432 HA ASP 54 HA ASP 54 -0.005 -9.484 -2.187 433 1HB ASP 54 2HB ASP 54 -2.201 -10.626 -1.493 434 2HB ASP 54 1HB ASP 54 -2.329 -9.380 -0.252 435 H LYS 55 H LYS 55 0.122 -9.211 1.307 436 HA LYS 55 HA LYS 55 0.101 -6.278 1.333 437 1HB LYS 55 2HB LYS 55 -0.777 -7.697 3.168 438 2HB LYS 55 1HB LYS 55 0.841 -8.346 3.432 439 1HG LYS 55 2HG LYS 55 1.661 -6.306 4.252 440 2HG LYS 55 1HG LYS 55 0.370 -5.374 3.494 441 1HD LYS 55 2HD LYS 55 -1.247 -6.142 5.080 442 2HD LYS 55 1HD LYS 55 -0.152 -7.381 5.695 443 1HE LYS 55 2HE LYS 55 1.297 -5.721 6.688 444 2HE LYS 55 1HE LYS 55 0.417 -4.403 5.889 445 1HZ LYS 55 1HZ LYS 55 -0.764 -6.339 7.814 446 2HZ LYS 55 2HZ LYS 55 -1.586 -5.061 7.053 447 3HZ LYS 55 3HZ LYS 55 -0.353 -4.733 8.175 448 H GLN 56 H GLN 56 2.531 -8.864 1.464 449 HA GLN 56 HA GLN 56 4.848 -7.613 2.299 450 1HB GLN 56 2HB GLN 56 4.099 -9.722 0.377 451 2HB GLN 56 1HB GLN 56 5.713 -9.055 0.126 452 1HG GLN 56 2HG GLN 56 4.747 -9.924 2.856 453 2HG GLN 56 1HG GLN 56 5.535 -11.043 1.743 454 1HE2 GLN 56 1HE2 GLN 56 6.156 -8.788 4.202 455 2HE2 GLN 56 2HE2 GLN 56 7.807 -8.536 3.896 456 HA PRO 57 HA PRO 57 5.694 -5.574 -1.911 457 1HB PRO 57 2HB PRO 57 3.826 -5.672 -3.887 458 2HB PRO 57 1HB PRO 57 5.046 -6.941 -3.657 459 1HG PRO 57 2HG PRO 57 2.182 -6.917 -2.924 460 2HG PRO 57 1HG PRO 57 3.192 -8.260 -3.474 461 1HD PRO 57 2HD PRO 57 2.444 -7.792 -0.851 462 2HD PRO 57 1HD PRO 57 3.829 -8.782 -1.359 463 H TYR 58 H TYR 58 2.220 -5.487 -1.124 464 HA TYR 58 HA TYR 58 1.970 -2.646 -1.809 465 1HB TYR 58 2HB TYR 58 0.317 -4.914 -1.509 466 2HB TYR 58 1HB TYR 58 -0.207 -3.790 -0.258 467 HD1 TYR 58 1HD TYR 58 0.258 -4.270 -3.893 468 HD2 TYR 58 2HD TYR 58 -1.227 -1.663 -0.820 469 HE1 TYR 58 1HE TYR 58 -0.915 -2.917 -5.608 470 HE2 TYR 58 2HE TYR 58 -2.401 -0.310 -2.535 471 HH TYR 58 HH TYR 58 -2.804 -1.376 -5.755 472 H GLU 59 H GLU 59 3.414 -4.043 0.835 473 HA GLU 59 HA GLU 59 2.234 -2.148 2.812 474 1HB GLU 59 2HB GLU 59 3.419 -3.550 4.446 475 2HB GLU 59 1HB GLU 59 2.477 -4.561 3.360 476 1HG GLU 59 2HG GLU 59 4.365 -5.713 2.907 477 2HG GLU 59 1HG GLU 59 4.980 -4.272 2.098 478 H GLN 60 H GLN 60 5.121 -2.688 0.906 479 HA GLN 60 HA GLN 60 6.864 -0.960 2.478 480 1HB GLN 60 2HB GLN 60 8.350 -1.252 0.503 481 2HB GLN 60 1HB GLN 60 7.701 -2.788 1.067 482 1HG GLN 60 2HG GLN 60 6.199 -2.955 -0.729 483 2HG GLN 60 1HG GLN 60 6.293 -1.234 -1.097 484 1HE2 GLN 60 1HE2 GLN 60 7.412 -0.931 -3.023 485 2HE2 GLN 60 2HE2 GLN 60 8.781 -1.812 -3.507 486 H LYS 61 H LYS 61 4.505 -0.491 -0.058 487 HA LYS 61 HA LYS 61 5.395 1.998 -1.148 488 1HB LYS 61 2HB LYS 61 3.634 0.557 -2.107 489 2HB LYS 61 1HB LYS 61 2.609 0.861 -0.705 490 1HG LYS 61 2HG LYS 61 2.285 3.131 -1.287 491 2HG LYS 61 1HG LYS 61 3.650 3.127 -2.406 492 1HD LYS 61 2HD LYS 61 2.342 1.368 -3.743 493 2HD LYS 61 1HD LYS 61 0.950 1.816 -2.756 494 1HE LYS 61 2HE LYS 61 2.579 3.887 -4.255 495 2HE LYS 61 1HE LYS 61 1.172 3.079 -4.976 496 1HZ LYS 61 1HZ LYS 61 0.524 5.112 -3.810 497 2HZ LYS 61 2HZ LYS 61 1.185 4.506 -2.368 498 3HZ LYS 61 3HZ LYS 61 -0.156 3.742 -3.077 499 H ALA 62 H ALA 62 3.381 1.250 1.698 500 HA ALA 62 HA ALA 62 2.907 4.059 2.341 501 1HB ALA 62 1HB ALA 62 2.434 1.376 3.628 502 2HB ALA 62 2HB ALA 62 1.246 2.536 3.033 503 3HB ALA 62 3HB ALA 62 2.129 2.863 4.524 504 H ALA 63 H ALA 63 5.540 1.890 2.807 505 HA ALA 63 HA ALA 63 6.530 3.098 5.293 506 1HB ALA 63 1HB ALA 63 8.011 1.366 3.303 507 2HB ALA 63 2HB ALA 63 6.823 0.694 4.420 508 3HB ALA 63 3HB ALA 63 8.272 1.485 5.043 509 H LYS 64 H LYS 64 6.342 4.268 2.172 510 HA LYS 64 HA LYS 64 9.020 5.585 2.217 511 1HB LYS 64 2HB LYS 64 6.874 5.009 0.173 512 2HB LYS 64 1HB LYS 64 8.132 6.196 -0.153 513 1HG LYS 64 2HG LYS 64 8.656 3.326 0.667 514 2HG LYS 64 1HG LYS 64 8.707 3.911 -0.997 515 1HD LYS 64 2HD LYS 64 10.359 5.711 0.031 516 2HD LYS 64 1HD LYS 64 10.589 4.471 1.265 517 1HE LYS 64 2HE LYS 64 10.739 3.732 -1.656 518 2HE LYS 64 1HE LYS 64 12.152 4.412 -0.825 519 1HZ LYS 64 1HZ LYS 64 11.880 2.746 0.914 520 2HZ LYS 64 2HZ LYS 64 12.108 2.004 -0.598 521 3HZ LYS 64 3HZ LYS 64 10.557 2.076 0.091 522 H LEU 65 H LEU 65 5.553 6.155 2.330 523 HA LEU 65 HA LEU 65 5.822 9.087 2.185 524 1HB LEU 65 2HB LEU 65 3.629 7.041 2.406 525 2HB LEU 65 1HB LEU 65 3.272 8.734 2.742 526 HG LEU 65 HG LEU 65 4.450 9.224 0.491 527 1HD1 LEU 65 1HD1 LEU 65 4.086 7.198 -1.082 528 2HD1 LEU 65 2HD1 LEU 65 4.064 6.234 0.394 529 3HD1 LEU 65 3HD1 LEU 65 5.498 7.170 -0.026 530 1HD2 LEU 65 1HD2 LEU 65 2.377 9.080 -0.648 531 2HD2 LEU 65 2HD2 LEU 65 1.923 9.203 1.052 532 3HD2 LEU 65 3HD2 LEU 65 1.893 7.636 0.243 533 H LYS 66 H LYS 66 6.435 6.867 4.601 534 HA LYS 66 HA LYS 66 5.203 8.414 6.815 535 1HB LYS 66 2HB LYS 66 5.189 5.897 6.664 536 2HB LYS 66 1HB LYS 66 6.946 5.927 6.812 537 1HG LYS 66 2HG LYS 66 6.495 5.742 9.042 538 2HG LYS 66 1HG LYS 66 6.266 7.487 8.929 539 1HD LYS 66 2HD LYS 66 3.976 7.338 9.066 540 2HD LYS 66 1HD LYS 66 3.924 5.774 8.250 541 1HE LYS 66 2HE LYS 66 5.210 5.007 10.484 542 2HE LYS 66 1HE LYS 66 4.300 6.379 11.147 543 1HZ LYS 66 1HZ LYS 66 2.880 4.487 11.235 544 2HZ LYS 66 2HZ LYS 66 3.218 4.071 9.623 545 3HZ LYS 66 3HZ LYS 66 2.318 5.468 9.971 546 H GLU 67 H GLU 67 8.339 7.639 5.384 547 HA GLU 67 HA GLU 67 9.876 9.047 7.457 548 1HB GLU 67 2HB GLU 67 10.448 7.681 4.822 549 2HB GLU 67 1HB GLU 67 11.711 8.539 5.705 550 1HG GLU 67 2HG GLU 67 11.072 7.139 7.736 551 2HG GLU 67 1HG GLU 67 10.095 6.159 6.642 552 H LYS 68 H LYS 68 8.130 9.962 4.646 553 HA LYS 68 HA LYS 68 9.770 12.426 4.246 554 1HB LYS 68 2HB LYS 68 7.675 10.946 2.630 555 2HB LYS 68 1HB LYS 68 8.276 12.538 2.168 556 1HG LYS 68 2HG LYS 68 10.606 11.603 2.205 557 2HG LYS 68 1HG LYS 68 9.910 10.006 2.486 558 1HD LYS 68 2HD LYS 68 8.557 10.309 0.382 559 2HD LYS 68 1HD LYS 68 9.472 11.786 0.074 560 1HE LYS 68 2HE LYS 68 11.590 10.371 0.250 561 2HE LYS 68 1HE LYS 68 10.529 8.949 0.200 562 1HZ LYS 68 1HZ LYS 68 11.224 9.629 -2.033 563 2HZ LYS 68 2HZ LYS 68 10.530 11.159 -1.788 564 3HZ LYS 68 3HZ LYS 68 9.546 9.775 -1.835 565 H TYR 69 H TYR 69 6.622 11.201 5.226 566 HA TYR 69 HA TYR 69 5.261 13.778 5.235 567 1HB TYR 69 2HB TYR 69 4.036 11.698 4.970 568 2HB TYR 69 1HB TYR 69 4.728 11.045 6.451 569 HD1 TYR 69 1HD TYR 69 3.059 10.826 8.066 570 HD2 TYR 69 2HD TYR 69 3.152 14.355 5.624 571 HE1 TYR 69 1HE TYR 69 1.181 11.781 9.374 572 HE2 TYR 69 2HE TYR 69 1.273 15.310 6.929 573 HH TYR 69 HH TYR 69 0.403 14.867 9.486 574 H GLU 70 H GLU 70 6.443 11.612 7.843 575 HA GLU 70 HA GLU 70 6.013 13.512 9.968 576 1HB GLU 70 2HB GLU 70 7.689 11.015 9.630 577 2HB GLU 70 1HB GLU 70 7.568 11.871 11.167 578 1HG GLU 70 2HG GLU 70 5.046 11.161 9.711 579 2HG GLU 70 1HG GLU 70 5.896 9.900 10.606 580 H LYS 71 H LYS 71 8.504 13.312 7.571 581 HA LYS 71 HA LYS 71 10.425 14.846 9.259 582 1HB LYS 71 2HB LYS 71 10.602 13.477 6.556 583 2HB LYS 71 1HB LYS 71 11.948 14.315 7.330 584 1HG LYS 71 2HG LYS 71 11.368 12.768 9.376 585 2HG LYS 71 1HG LYS 71 10.584 11.768 8.152 586 1HD LYS 71 2HD LYS 71 12.690 11.714 6.854 587 2HD LYS 71 1HD LYS 71 13.474 12.687 8.099 588 1HE LYS 71 2HE LYS 71 12.679 10.805 9.737 589 2HE LYS 71 1HE LYS 71 12.529 9.829 8.261 590 1HZ LYS 71 1HZ LYS 71 14.939 11.366 9.082 591 2HZ LYS 71 2HZ LYS 71 14.787 10.449 7.660 592 3HZ LYS 71 3HZ LYS 71 14.770 9.681 9.176 593 H ASP 72 H ASP 72 8.388 15.130 6.382 594 HA ASP 72 HA ASP 72 9.491 17.798 5.719 595 1HB ASP 72 2HB ASP 72 8.863 15.931 4.085 596 2HB ASP 72 1HB ASP 72 7.181 16.306 4.459 597 H ILE 73 H ILE 73 6.577 16.360 7.131 598 HA ILE 73 HA ILE 73 4.918 18.702 6.989 599 HB ILE 73 HB ILE 73 4.321 16.240 7.405 600 1HG1 ILE 73 2HG1 ILE 73 2.498 17.010 9.151 601 2HG1 ILE 73 1HG1 ILE 73 3.179 18.608 8.841 602 1HG2 ILE 73 1HG2 ILE 73 4.753 16.951 10.309 603 2HG2 ILE 73 2HG2 ILE 73 5.961 16.069 9.373 604 3HG2 ILE 73 3HG2 ILE 73 4.357 15.377 9.619 605 1HD1 ILE 73 1HD1 ILE 73 2.550 18.592 6.597 606 2HD1 ILE 73 2HD1 ILE 73 1.211 17.712 7.333 607 3HD1 ILE 73 3HD1 ILE 73 2.503 16.830 6.518 608 H ALA 74 H ALA 74 7.644 17.983 8.993 609 HA ALA 74 HA ALA 74 6.891 19.600 11.294 610 1HB ALA 74 1HB ALA 74 9.253 19.246 11.891 611 2HB ALA 74 2HB ALA 74 9.602 18.710 10.248 612 3HB ALA 74 3HB ALA 74 8.560 17.740 11.288 613 H ALA 75 H ALA 75 9.014 20.098 8.465 614 HA ALA 75 HA ALA 75 9.454 22.931 9.117 615 1HB ALA 75 1HB ALA 75 10.835 22.836 7.098 616 2HB ALA 75 2HB ALA 75 10.105 21.296 6.642 617 3HB ALA 75 3HB ALA 75 11.138 21.395 8.068 618 H TYR 76 H TYR 76 7.336 21.006 7.083 619 HA TYR 76 HA TYR 76 6.461 23.030 5.251 620 1HB TYR 76 2HB TYR 76 6.116 20.550 5.090 621 2HB TYR 76 1HB TYR 76 4.950 20.659 6.409 622 HD1 TYR 76 1HD TYR 76 5.662 21.668 2.912 623 HD2 TYR 76 2HD TYR 76 2.738 21.545 6.057 624 HE1 TYR 76 1HE TYR 76 3.893 22.291 1.291 625 HE2 TYR 76 2HE TYR 76 0.968 22.168 4.434 626 HH TYR 76 HH TYR 76 1.530 23.495 1.524 627 H ARG 77 H ARG 77 5.186 21.976 8.413 628 HA ARG 77 HA ARG 77 2.920 23.715 8.521 629 1HB ARG 77 2HB ARG 77 4.692 22.314 10.517 630 2HB ARG 77 1HB ARG 77 3.394 23.370 11.077 631 1HG ARG 77 2HG ARG 77 1.823 22.051 9.580 632 2HG ARG 77 1HG ARG 77 3.140 20.902 9.343 633 1HD ARG 77 2HD ARG 77 3.125 20.222 11.600 634 2HD ARG 77 1HD ARG 77 2.278 21.690 12.128 635 HE ARG 77 HE ARG 77 0.380 20.734 10.555 636 1HH1 ARG 77 1HH2 ARG 77 0.872 19.795 13.521 637 2HH1 ARG 77 2HH2 ARG 77 0.550 18.103 13.337 638 1HH2 ARG 77 1HH1 ARG 77 0.696 18.182 9.874 639 2HH2 ARG 77 2HH1 ARG 77 0.452 17.190 11.271 640 H ALA 78 H ALA 78 5.820 24.151 10.563 641 HA ALA 78 HA ALA 78 6.882 26.118 11.326 642 1HB ALA 78 1HB ALA 78 7.303 25.984 8.785 643 2HB ALA 78 2HB ALA 78 7.539 27.557 9.546 644 3HB ALA 78 3HB ALA 78 6.064 27.230 8.635 645 H LYS 79 H LYS 79 4.234 25.921 12.221 646 HA LYS 79 HA LYS 79 2.829 28.455 11.690 647 1HB LYS 79 2HB LYS 79 2.375 25.856 13.009 648 2HB LYS 79 1HB LYS 79 1.556 27.215 13.775 649 1HG LYS 79 2HG LYS 79 0.310 27.713 11.847 650 2HG LYS 79 1HG LYS 79 1.426 26.848 10.789 651 1HD LYS 79 2HD LYS 79 0.671 24.792 12.337 652 2HD LYS 79 1HD LYS 79 -0.777 25.787 12.494 653 1HE LYS 79 2HE LYS 79 -0.627 25.990 9.886 654 2HE LYS 79 1HE LYS 79 0.390 24.540 10.012 655 1HZ LYS 79 1HZ LYS 79 -1.959 23.950 9.833 656 2HZ LYS 79 2HZ LYS 79 -2.308 24.866 11.221 657 3HZ LYS 79 3HZ LYS 79 -1.327 23.483 11.337 Start of MODEL 14 1 1H MET 1 1HT MET 1 -9.937 18.682 6.010 2 2H MET 1 2HT MET 1 -10.718 17.184 5.824 3 3H MET 1 3HT MET 1 -11.615 18.568 6.233 4 HA MET 1 HA MET 1 -11.929 18.041 3.891 5 1HB MET 1 2HB MET 1 -11.697 20.390 5.000 6 2HB MET 1 1HB MET 1 -10.150 20.462 4.154 7 1HG MET 1 2HG MET 1 -11.194 20.264 2.020 8 2HG MET 1 1HG MET 1 -12.733 19.785 2.736 9 1HE MET 1 1HE MET 1 -13.619 21.303 4.798 10 2HE MET 1 2HE MET 1 -14.601 21.395 3.339 11 3HE MET 1 3HE MET 1 -14.239 22.864 4.242 12 H LYS 2 H LYS 2 -10.876 18.029 1.735 13 HA LYS 2 HA LYS 2 -8.141 16.846 1.865 14 1HB LYS 2 2HB LYS 2 -10.555 16.680 0.120 15 2HB LYS 2 1HB LYS 2 -8.991 16.424 -0.654 16 1HG LYS 2 2HG LYS 2 -9.570 14.261 0.043 17 2HG LYS 2 1HG LYS 2 -8.533 14.821 1.356 18 1HD LYS 2 2HD LYS 2 -10.475 13.855 2.384 19 2HD LYS 2 1HD LYS 2 -10.642 15.603 2.540 20 1HE LYS 2 2HE LYS 2 -11.843 15.128 0.100 21 2HE LYS 2 1HE LYS 2 -12.295 13.693 1.042 22 1HZ LYS 2 1HZ LYS 2 -13.846 15.475 1.491 23 2HZ LYS 2 2HZ LYS 2 -12.576 16.522 1.912 24 3HZ LYS 2 3HZ LYS 2 -12.921 15.168 2.878 25 H LYS 3 H LYS 3 -8.807 19.834 1.923 26 HA LYS 3 HA LYS 3 -8.079 20.982 -0.613 27 1HB LYS 3 2HB LYS 3 -9.286 21.999 1.425 28 2HB LYS 3 1HB LYS 3 -7.679 22.207 2.121 29 1HG LYS 3 2HG LYS 3 -7.009 23.469 0.061 30 2HG LYS 3 1HG LYS 3 -8.680 23.366 -0.495 31 1HD LYS 3 2HD LYS 3 -9.443 24.566 1.507 32 2HD LYS 3 1HD LYS 3 -7.786 24.636 2.111 33 1HE LYS 3 2HE LYS 3 -7.109 25.982 0.160 34 2HE LYS 3 1HE LYS 3 -8.763 25.897 -0.479 35 1HZ LYS 3 1HZ LYS 3 -8.002 26.980 2.183 36 2HZ LYS 3 2HZ LYS 3 -9.579 26.901 1.554 37 3HZ LYS 3 3HZ LYS 3 -8.421 27.916 0.833 38 H LYS 4 H LYS 4 -6.103 20.211 -1.426 39 HA LYS 4 HA LYS 4 -3.673 21.139 -0.086 40 1HB LYS 4 2HB LYS 4 -4.537 18.276 -0.293 41 2HB LYS 4 1HB LYS 4 -2.817 18.652 -0.383 42 1HG LYS 4 2HG LYS 4 -3.261 20.083 1.751 43 2HG LYS 4 1HG LYS 4 -4.731 19.119 1.893 44 1HD LYS 4 2HD LYS 4 -3.262 17.055 1.682 45 2HD LYS 4 1HD LYS 4 -1.872 18.126 1.864 46 1HE LYS 4 2HE LYS 4 -2.299 17.421 4.085 47 2HE LYS 4 1HE LYS 4 -3.136 18.983 4.001 48 1HZ LYS 4 1HZ LYS 4 -4.606 17.254 4.858 49 2HZ LYS 4 2HZ LYS 4 -4.365 16.332 3.452 50 3HZ LYS 4 3HZ LYS 4 -5.161 17.831 3.363 51 H ASP 5 H ASP 5 -1.737 19.982 -1.542 52 HA ASP 5 HA ASP 5 -2.544 20.258 -4.419 53 1HB ASP 5 2HB ASP 5 -0.772 21.863 -2.726 54 2HB ASP 5 1HB ASP 5 0.055 21.269 -4.164 55 HA PRO 6 HA PRO 6 0.007 16.747 -5.197 56 1HB PRO 6 2HB PRO 6 1.667 17.455 -7.259 57 2HB PRO 6 1HB PRO 6 -0.068 17.144 -7.475 58 1HG PRO 6 2HG PRO 6 1.371 19.741 -7.238 59 2HG PRO 6 1HG PRO 6 0.029 19.288 -8.301 60 1HD PRO 6 2HD PRO 6 -0.314 20.745 -6.041 61 2HD PRO 6 1HD PRO 6 -1.554 19.644 -6.677 62 H ASN 7 H ASN 7 1.762 19.777 -4.795 63 HA ASN 7 HA ASN 7 4.345 18.539 -4.240 64 1HB ASN 7 2HB ASN 7 3.687 20.914 -5.113 65 2HB ASN 7 1HB ASN 7 3.482 21.302 -3.404 66 1HD2 ASN 7 1HD2 ASN 7 5.795 21.116 -5.901 67 2HD2 ASN 7 2HD2 ASN 7 7.192 21.163 -4.937 68 H ALA 8 H ALA 8 1.494 19.217 -2.347 69 HA ALA 8 HA ALA 8 2.980 19.039 0.220 70 1HB ALA 8 1HB ALA 8 1.244 20.740 -0.030 71 2HB ALA 8 2HB ALA 8 0.683 19.531 1.124 72 3HB ALA 8 3HB ALA 8 0.077 19.517 -0.531 73 HA PRO 9 HA PRO 9 2.052 14.673 0.218 74 1HB PRO 9 2HB PRO 9 2.737 14.098 2.803 75 2HB PRO 9 1HB PRO 9 3.933 14.347 1.515 76 1HG PRO 9 2HG PRO 9 3.045 16.196 3.662 77 2HG PRO 9 1HG PRO 9 4.652 15.967 2.961 78 1HD PRO 9 2HD PRO 9 2.990 18.051 2.324 79 2HD PRO 9 1HD PRO 9 4.254 17.422 1.246 80 H LYS 10 H LYS 10 -0.156 14.342 0.146 81 HA LYS 10 HA LYS 10 -2.046 15.354 2.059 82 1HB LYS 10 2HB LYS 10 -3.598 13.882 0.808 83 2HB LYS 10 1HB LYS 10 -2.543 14.761 -0.294 84 1HG LYS 10 2HG LYS 10 -1.028 12.553 0.111 85 2HG LYS 10 1HG LYS 10 -2.635 11.856 0.319 86 1HD LYS 10 2HD LYS 10 -3.232 13.123 -1.868 87 2HD LYS 10 1HD LYS 10 -1.488 13.240 -2.099 88 1HE LYS 10 2HE LYS 10 -1.243 10.839 -2.100 89 2HE LYS 10 1HE LYS 10 -2.929 10.616 -1.589 90 1HZ LYS 10 1HZ LYS 10 -2.077 11.983 -4.087 91 2HZ LYS 10 2HZ LYS 10 -3.678 11.682 -3.598 92 3HZ LYS 10 3HZ LYS 10 -2.654 10.390 -4.011 93 H ARG 11 H ARG 11 -3.570 12.889 2.495 94 HA ARG 11 HA ARG 11 -2.584 12.045 5.015 95 1HB ARG 11 2HB ARG 11 -4.677 11.345 3.088 96 2HB ARG 11 1HB ARG 11 -4.115 9.937 3.990 97 1HG ARG 11 2HG ARG 11 -5.796 10.784 5.387 98 2HG ARG 11 1HG ARG 11 -4.340 11.505 6.076 99 1HD ARG 11 2HD ARG 11 -4.760 13.551 4.662 100 2HD ARG 11 1HD ARG 11 -6.315 12.836 4.192 101 HE ARG 11 HE ARG 11 -5.617 13.827 6.882 102 1HH1 ARG 11 1HH1 ARG 11 -6.844 11.189 7.343 103 2HH1 ARG 11 2HH1 ARG 11 -8.540 11.543 7.359 104 1HH2 ARG 11 1HH2 ARG 11 -8.179 14.634 5.829 105 2HH2 ARG 11 2HH2 ARG 11 -9.295 13.494 6.502 106 HA PRO 12 HA PRO 12 0.648 9.296 3.660 107 1HB PRO 12 2HB PRO 12 1.130 8.003 6.022 108 2HB PRO 12 1HB PRO 12 1.686 9.657 5.694 109 1HG PRO 12 2HG PRO 12 -0.631 8.721 7.298 110 2HG PRO 12 1HG PRO 12 0.455 10.091 7.568 111 1HD PRO 12 2HD PRO 12 -2.077 10.308 6.531 112 2HD PRO 12 1HD PRO 12 -0.778 11.489 6.261 113 HA PRO 13 HA PRO 13 -1.892 5.667 3.036 114 1HB PRO 13 2HB PRO 13 -0.221 4.308 1.358 115 2HB PRO 13 1HB PRO 13 -1.192 5.699 0.838 116 1HG PRO 13 2HG PRO 13 1.700 5.526 1.401 117 2HG PRO 13 1HG PRO 13 0.822 6.585 0.290 118 1HD PRO 13 2HD PRO 13 1.819 7.287 2.812 119 2HD PRO 13 1HD PRO 13 0.670 8.225 1.837 120 H SER 14 H SER 14 -1.353 3.125 3.076 121 HA SER 14 HA SER 14 0.919 2.287 4.691 122 1HB SER 14 2HB SER 14 -1.649 3.123 5.920 123 2HB SER 14 1HB SER 14 -0.972 1.617 6.532 124 HG SER 14 HG SER 14 0.452 2.767 7.547 125 H ALA 15 H ALA 15 0.312 1.073 2.403 126 HA ALA 15 HA ALA 15 -0.111 -1.018 1.470 127 1HB ALA 15 1HB ALA 15 0.420 -2.628 2.961 128 2HB ALA 15 2HB ALA 15 -1.141 -2.443 3.756 129 3HB ALA 15 3HB ALA 15 0.229 -1.458 4.265 130 H PHE 16 H PHE 16 -2.630 -1.183 4.026 131 HA PHE 16 HA PHE 16 -4.747 -2.027 2.433 132 1HB PHE 16 2HB PHE 16 -4.457 -1.550 4.990 133 2HB PHE 16 1HB PHE 16 -5.121 0.035 4.592 134 HD1 PHE 16 1HD PHE 16 -5.927 -3.316 5.440 135 HD2 PHE 16 2HD PHE 16 -7.299 0.021 3.109 136 HE1 PHE 16 1HE PHE 16 -8.213 -4.275 5.413 137 HE2 PHE 16 2HE PHE 16 -9.585 -0.938 3.082 138 HZ PHE 16 HZ PHE 16 -10.043 -3.086 4.234 139 H PHE 17 H PHE 17 -3.944 1.384 3.176 140 HA PHE 17 HA PHE 17 -5.998 2.632 1.667 141 1HB PHE 17 2HB PHE 17 -4.109 3.494 3.305 142 2HB PHE 17 1HB PHE 17 -3.211 3.750 1.808 143 HD1 PHE 17 1HD PHE 17 -6.473 4.497 3.475 144 HD2 PHE 17 2HD PHE 17 -3.634 5.639 0.459 145 HE1 PHE 17 1HE PHE 17 -7.744 6.587 3.069 146 HE2 PHE 17 2HE PHE 17 -4.906 7.729 0.054 147 HZ PHE 17 HZ PHE 17 -6.961 8.203 1.358 148 H LEU 18 H LEU 18 -2.911 1.241 0.637 149 HA LEU 18 HA LEU 18 -2.999 2.357 -2.058 150 1HB LEU 18 2HB LEU 18 -1.445 -0.027 -1.000 151 2HB LEU 18 1HB LEU 18 -1.026 0.982 -2.378 152 HG LEU 18 HG LEU 18 -1.052 1.838 0.536 153 1HD1 LEU 18 1HD1 LEU 18 0.866 0.438 -0.115 154 2HD1 LEU 18 2HD1 LEU 18 1.374 2.101 0.178 155 3HD1 LEU 18 3HD1 LEU 18 1.195 1.512 -1.474 156 1HD2 LEU 18 1HD2 LEU 18 -1.648 3.807 -0.596 157 2HD2 LEU 18 2HD2 LEU 18 -0.756 3.358 -2.048 158 3HD2 LEU 18 3HD2 LEU 18 0.113 3.900 -0.613 159 H PHE 19 H PHE 19 -4.036 -0.633 -0.487 160 HA PHE 19 HA PHE 19 -4.548 -2.097 -2.953 161 1HB PHE 19 2HB PHE 19 -4.010 -3.037 -0.675 162 2HB PHE 19 1HB PHE 19 -5.614 -2.531 -0.147 163 HD1 PHE 19 1HD PHE 19 -7.622 -3.650 -0.945 164 HD2 PHE 19 2HD PHE 19 -3.732 -4.831 -2.331 165 HE1 PHE 19 1HE PHE 19 -8.591 -5.724 -1.896 166 HE2 PHE 19 2HE PHE 19 -4.701 -6.906 -3.283 167 HZ PHE 19 HZ PHE 19 -7.131 -7.353 -3.065 168 H CYS 20 H CYS 20 -6.732 -0.702 -0.468 169 HA CYS 20 HA CYS 20 -9.183 -1.143 -1.831 170 1HB CYS 20 2HB CYS 20 -8.482 -0.233 0.571 171 2HB CYS 20 1HB CYS 20 -8.737 1.332 -0.202 172 HG CYS 20 HG CYS 20 -11.136 0.912 0.282 173 H SER 21 H SER 21 -7.213 1.850 -1.764 174 HA SER 21 HA SER 21 -8.744 3.405 -3.565 175 1HB SER 21 2HB SER 21 -6.731 4.006 -2.097 176 2HB SER 21 1HB SER 21 -5.722 3.371 -3.394 177 HG SER 21 HG SER 21 -6.627 4.897 -4.779 178 H GLU 22 H GLU 22 -6.589 0.715 -4.228 179 HA GLU 22 HA GLU 22 -6.554 1.323 -7.138 180 1HB GLU 22 2HB GLU 22 -5.057 -0.380 -5.206 181 2HB GLU 22 1HB GLU 22 -5.073 -0.876 -6.895 182 1HG GLU 22 2HG GLU 22 -4.291 1.890 -5.932 183 2HG GLU 22 1HG GLU 22 -3.141 0.614 -6.333 184 H TYR 23 H TYR 23 -8.026 -0.871 -4.823 185 HA TYR 23 HA TYR 23 -8.915 -2.761 -6.911 186 1HB TYR 23 2HB TYR 23 -8.766 -2.570 -3.970 187 2HB TYR 23 1HB TYR 23 -10.202 -3.407 -4.560 188 HD1 TYR 23 1HD TYR 23 -6.501 -3.252 -5.174 189 HD2 TYR 23 2HD TYR 23 -10.044 -5.680 -5.073 190 HE1 TYR 23 1HE TYR 23 -5.136 -5.265 -5.658 191 HE2 TYR 23 2HE TYR 23 -8.677 -7.692 -5.555 192 HH TYR 23 HH TYR 23 -6.067 -7.871 -6.856 193 H ARG 24 H ARG 24 -10.322 -0.213 -4.861 194 HA ARG 24 HA ARG 24 -13.050 -0.567 -5.231 195 1HB ARG 24 2HB ARG 24 -11.324 1.910 -5.163 196 2HB ARG 24 1HB ARG 24 -13.087 1.975 -5.136 197 1HG ARG 24 2HG ARG 24 -13.208 0.771 -3.084 198 2HG ARG 24 1HG ARG 24 -11.513 0.297 -3.181 199 1HD ARG 24 2HD ARG 24 -10.777 2.298 -2.343 200 2HD ARG 24 1HD ARG 24 -12.013 3.225 -3.219 201 HE ARG 24 HE ARG 24 -12.864 1.510 -0.935 202 1HH1 ARG 24 1HH2 ARG 24 -14.329 3.739 -2.631 203 2HH1 ARG 24 2HH2 ARG 24 -14.479 4.959 -1.410 204 1HH2 ARG 24 1HH1 ARG 24 -12.227 3.448 0.750 205 2HH2 ARG 24 2HH1 ARG 24 -13.288 4.794 0.504 206 HA PRO 25 HA PRO 25 -12.897 1.912 -9.419 207 1HB PRO 25 2HB PRO 25 -10.513 1.762 -10.783 208 2HB PRO 25 1HB PRO 25 -10.960 3.118 -9.726 209 1HG PRO 25 2HG PRO 25 -9.274 0.727 -9.111 210 2HG PRO 25 1HG PRO 25 -8.976 2.436 -8.741 211 1HD PRO 25 2HD PRO 25 -9.888 0.805 -6.870 212 2HD PRO 25 1HD PRO 25 -10.521 2.460 -6.989 213 H LYS 26 H LYS 26 -11.034 -1.008 -8.836 214 HA LYS 26 HA LYS 26 -11.547 -2.336 -11.359 215 1HB LYS 26 2HB LYS 26 -9.879 -2.834 -9.415 216 2HB LYS 26 1HB LYS 26 -11.253 -3.648 -8.659 217 1HG LYS 26 2HG LYS 26 -10.493 -4.277 -11.504 218 2HG LYS 26 1HG LYS 26 -9.648 -5.055 -10.164 219 1HD LYS 26 2HD LYS 26 -11.986 -5.643 -9.258 220 2HD LYS 26 1HD LYS 26 -12.584 -5.203 -10.858 221 1HE LYS 26 2HE LYS 26 -11.028 -6.858 -11.880 222 2HE LYS 26 1HE LYS 26 -10.508 -7.339 -10.252 223 1HZ LYS 26 1HZ LYS 26 -13.301 -7.387 -11.269 224 2HZ LYS 26 2HZ LYS 26 -12.818 -7.807 -9.695 225 3HZ LYS 26 3HZ LYS 26 -12.319 -8.748 -11.019 226 H ILE 27 H ILE 27 -13.103 -2.350 -8.174 227 HA ILE 27 HA ILE 27 -15.209 -4.202 -8.666 228 HB ILE 27 HB ILE 27 -15.086 -1.701 -6.934 229 1HG1 ILE 27 2HG1 ILE 27 -13.249 -3.318 -6.498 230 2HG1 ILE 27 1HG1 ILE 27 -14.365 -3.213 -5.143 231 1HG2 ILE 27 1HG2 ILE 27 -16.750 -3.002 -5.517 232 2HG2 ILE 27 2HG2 ILE 27 -16.946 -4.087 -6.893 233 3HG2 ILE 27 3HG2 ILE 27 -17.375 -2.383 -7.046 234 1HD1 ILE 27 1HD1 ILE 27 -13.820 -5.554 -5.607 235 2HD1 ILE 27 2HD1 ILE 27 -14.363 -5.365 -7.274 236 3HD1 ILE 27 3HD1 ILE 27 -15.523 -5.245 -5.950 237 H LYS 28 H LYS 28 -14.773 -0.872 -9.683 238 HA LYS 28 HA LYS 28 -17.614 -0.429 -10.250 239 1HB LYS 28 2HB LYS 28 -15.391 1.279 -11.347 240 2HB LYS 28 1HB LYS 28 -16.966 1.770 -10.740 241 1HG LYS 28 2HG LYS 28 -14.499 1.031 -9.198 242 2HG LYS 28 1HG LYS 28 -15.402 2.525 -9.122 243 1HD LYS 28 2HD LYS 28 -16.256 -0.179 -8.017 244 2HD LYS 28 1HD LYS 28 -15.813 1.255 -7.097 245 1HE LYS 28 2HE LYS 28 -18.113 1.291 -9.074 246 2HE LYS 28 1HE LYS 28 -18.334 0.851 -7.368 247 1HZ LYS 28 1HZ LYS 28 -17.126 3.361 -8.404 248 2HZ LYS 28 2HZ LYS 28 -17.174 2.920 -6.764 249 3HZ LYS 28 3HZ LYS 28 -18.618 3.217 -7.611 250 H SER 29 H SER 29 -14.680 -1.166 -12.125 251 HA SER 29 HA SER 29 -15.721 -0.875 -14.753 252 1HB SER 29 2HB SER 29 -13.343 -1.295 -14.032 253 2HB SER 29 1HB SER 29 -13.783 -2.972 -13.719 254 HG SER 29 HG SER 29 -14.189 -3.258 -15.866 255 H GLU 30 H GLU 30 -16.232 -3.379 -12.351 256 HA GLU 30 HA GLU 30 -17.750 -5.031 -14.331 257 1HB GLU 30 2HB GLU 30 -16.031 -5.503 -11.977 258 2HB GLU 30 1HB GLU 30 -17.489 -6.493 -12.013 259 1HG GLU 30 2HG GLU 30 -15.691 -6.216 -14.426 260 2HG GLU 30 1HG GLU 30 -15.422 -7.454 -13.198 261 H HIS 31 H HIS 31 -17.896 -3.813 -10.974 262 HA HIS 31 HA HIS 31 -20.853 -4.198 -10.964 263 1HB HIS 31 2HB HIS 31 -19.099 -3.391 -8.630 264 2HB HIS 31 1HB HIS 31 -20.665 -4.191 -8.589 265 HD1 HIS 31 1HD HIS 31 -17.021 -4.842 -9.212 266 HD2 HIS 31 2HD HIS 31 -20.570 -7.014 -8.963 267 HE1 HIS 31 1HE HIS 31 -16.360 -7.280 -9.145 268 HA PRO 32 HA PRO 32 -20.634 0.310 -11.458 269 1HB PRO 32 2HB PRO 32 -23.060 0.592 -12.689 270 2HB PRO 32 1HB PRO 32 -21.580 0.147 -13.550 271 1HG PRO 32 2HG PRO 32 -23.890 -1.513 -12.824 272 2HG PRO 32 1HG PRO 32 -22.705 -1.718 -14.119 273 1HD PRO 32 2HD PRO 32 -22.785 -3.102 -11.668 274 2HD PRO 32 1HD PRO 32 -21.500 -3.145 -12.890 275 H GLY 33 H GLY 33 -23.500 -1.541 -10.442 276 1HA GLY 33 2HA GLY 33 -24.737 0.570 -8.948 277 2HA GLY 33 1HA GLY 33 -25.049 -1.153 -8.736 278 H LEU 34 H LEU 34 -22.063 -1.563 -8.279 279 HA LEU 34 HA LEU 34 -21.959 -1.711 -5.477 280 1HB LEU 34 2HB LEU 34 -20.216 -1.988 -7.759 281 2HB LEU 34 1HB LEU 34 -19.341 -1.155 -6.480 282 HG LEU 34 HG LEU 34 -19.107 -3.634 -6.357 283 1HD1 LEU 34 1HD1 LEU 34 -20.249 -3.653 -3.892 284 2HD1 LEU 34 2HD1 LEU 34 -20.195 -1.918 -4.207 285 3HD1 LEU 34 3HD1 LEU 34 -18.711 -2.869 -4.251 286 1HD2 LEU 34 1HD2 LEU 34 -20.883 -5.058 -6.332 287 2HD2 LEU 34 2HD2 LEU 34 -21.777 -3.696 -7.008 288 3HD2 LEU 34 3HD2 LEU 34 -21.829 -4.010 -5.274 289 H SER 35 H SER 35 -22.779 0.258 -4.528 290 HA SER 35 HA SER 35 -21.609 2.868 -5.077 291 1HB SER 35 2HB SER 35 -23.305 1.783 -2.804 292 2HB SER 35 1HB SER 35 -22.993 3.492 -3.092 293 HG SER 35 HG SER 35 -24.989 2.499 -4.012 294 H ILE 36 H ILE 36 -20.691 4.115 -3.034 295 HA ILE 36 HA ILE 36 -18.195 2.952 -2.292 296 HB ILE 36 HB ILE 36 -19.869 5.258 -1.271 297 1HG1 ILE 36 2HG1 ILE 36 -17.659 6.381 -2.207 298 2HG1 ILE 36 1HG1 ILE 36 -17.498 4.850 -3.067 299 1HG2 ILE 36 1HG2 ILE 36 -17.205 4.251 -0.243 300 2HG2 ILE 36 2HG2 ILE 36 -18.634 4.697 0.688 301 3HG2 ILE 36 3HG2 ILE 36 -17.669 5.947 -0.099 302 1HD1 ILE 36 1HD1 ILE 36 -18.785 6.775 -4.238 303 2HD1 ILE 36 2HD1 ILE 36 -20.092 6.383 -3.120 304 3HD1 ILE 36 3HD1 ILE 36 -19.507 5.166 -4.254 305 H GLY 37 H GLY 37 -21.370 2.863 -0.739 306 1HA GLY 37 2HA GLY 37 -20.590 1.918 1.833 307 2HA GLY 37 1HA GLY 37 -22.151 1.589 1.076 308 H ASP 38 H ASP 38 -21.830 -0.028 -0.904 309 HA ASP 38 HA ASP 38 -20.912 -2.550 0.210 310 1HB ASP 38 2HB ASP 38 -22.790 -1.951 -1.510 311 2HB ASP 38 1HB ASP 38 -21.488 -2.000 -2.698 312 H THR 39 H THR 39 -19.579 -0.229 -2.133 313 HA THR 39 HA THR 39 -17.401 -1.878 -3.055 314 HB THR 39 HB THR 39 -17.730 1.130 -2.853 315 HG1 THR 39 1HG THR 39 -19.284 0.095 -4.130 316 1HG2 THR 39 1HG2 THR 39 -15.395 0.685 -3.174 317 2HG2 THR 39 2HG2 THR 39 -16.048 1.092 -4.761 318 3HG2 THR 39 3HG2 THR 39 -15.737 -0.593 -4.340 319 H ALA 40 H ALA 40 -17.862 0.149 -0.224 320 HA ALA 40 HA ALA 40 -15.060 0.194 0.576 321 1HB ALA 40 1HB ALA 40 -16.070 1.093 2.683 322 2HB ALA 40 2HB ALA 40 -17.668 0.702 2.047 323 3HB ALA 40 3HB ALA 40 -16.670 1.914 1.243 324 H LYS 41 H LYS 41 -17.894 -1.800 1.405 325 HA LYS 41 HA LYS 41 -16.265 -3.410 3.276 326 1HB LYS 41 2HB LYS 41 -18.419 -4.326 3.944 327 2HB LYS 41 1HB LYS 41 -18.537 -2.573 3.856 328 1HG LYS 41 2HG LYS 41 -19.448 -2.867 1.507 329 2HG LYS 41 1HG LYS 41 -19.537 -4.593 1.836 330 1HD LYS 41 2HD LYS 41 -21.702 -3.695 2.342 331 2HD LYS 41 1HD LYS 41 -20.918 -4.012 3.890 332 1HE LYS 41 2HE LYS 41 -20.092 -1.436 3.393 333 2HE LYS 41 1HE LYS 41 -21.726 -1.434 2.698 334 1HZ LYS 41 1HZ LYS 41 -21.017 -2.476 5.391 335 2HZ LYS 41 2HZ LYS 41 -22.576 -2.418 4.718 336 3HZ LYS 41 3HZ LYS 41 -21.756 -0.978 5.096 337 H LYS 42 H LYS 42 -17.252 -3.585 -0.044 338 HA LYS 42 HA LYS 42 -17.244 -6.529 -0.163 339 1HB LYS 42 2HB LYS 42 -18.673 -4.913 -1.505 340 2HB LYS 42 1HB LYS 42 -17.218 -4.477 -2.398 341 1HG LYS 42 2HG LYS 42 -18.225 -6.140 -3.718 342 2HG LYS 42 1HG LYS 42 -17.005 -7.037 -2.806 343 1HD LYS 42 2HD LYS 42 -19.554 -6.799 -1.365 344 2HD LYS 42 1HD LYS 42 -19.719 -7.638 -2.903 345 1HE LYS 42 2HE LYS 42 -17.325 -8.536 -1.526 346 2HE LYS 42 1HE LYS 42 -18.752 -8.733 -0.496 347 1HZ LYS 42 1HZ LYS 42 -19.907 -9.703 -2.440 348 2HZ LYS 42 2HZ LYS 42 -18.589 -10.639 -1.914 349 3HZ LYS 42 3HZ LYS 42 -18.444 -9.665 -3.299 350 H LEU 43 H LEU 43 -14.789 -4.347 0.235 351 HA LEU 43 HA LEU 43 -12.918 -5.713 -1.650 352 1HB LEU 43 2HB LEU 43 -12.893 -3.099 -0.120 353 2HB LEU 43 1HB LEU 43 -11.480 -3.707 -0.984 354 HG LEU 43 HG LEU 43 -14.186 -3.315 -2.287 355 1HD1 LEU 43 1HD1 LEU 43 -13.241 -1.159 -1.482 356 2HD1 LEU 43 2HD1 LEU 43 -13.258 -1.257 -3.243 357 3HD1 LEU 43 3HD1 LEU 43 -11.751 -1.506 -2.360 358 1HD2 LEU 43 1HD2 LEU 43 -12.440 -3.221 -4.291 359 2HD2 LEU 43 2HD2 LEU 43 -13.020 -4.767 -3.672 360 3HD2 LEU 43 3HD2 LEU 43 -11.446 -4.149 -3.169 361 H GLY 44 H GLY 44 -13.522 -4.914 1.742 362 1HA GLY 44 2HA GLY 44 -11.047 -5.873 2.820 363 2HA GLY 44 1HA GLY 44 -12.550 -5.703 3.726 364 H GLU 45 H GLU 45 -14.060 -7.495 1.952 365 HA GLU 45 HA GLU 45 -13.834 -9.960 3.272 366 1HB GLU 45 2HB GLU 45 -15.629 -9.051 1.691 367 2HB GLU 45 1HB GLU 45 -14.612 -9.617 0.366 368 1HG GLU 45 2HG GLU 45 -14.738 -11.898 1.152 369 2HG GLU 45 1HG GLU 45 -15.554 -11.394 2.632 370 H MET 46 H MET 46 -12.062 -8.828 0.419 371 HA MET 46 HA MET 46 -10.747 -11.440 0.007 372 1HB MET 46 2HB MET 46 -10.422 -8.693 -1.249 373 2HB MET 46 1HB MET 46 -9.660 -10.168 -1.844 374 1HG MET 46 2HG MET 46 -11.865 -11.181 -2.217 375 2HG MET 46 1HG MET 46 -12.650 -9.737 -1.577 376 1HE MET 46 1HE MET 46 -13.681 -8.792 -4.997 377 2HE MET 46 2HE MET 46 -13.916 -8.528 -3.271 378 3HE MET 46 3HE MET 46 -13.955 -10.166 -3.918 379 H TRP 47 H TRP 47 -9.900 -8.164 1.131 380 HA TRP 47 HA TRP 47 -7.109 -8.476 1.478 381 1HB TRP 47 2HB TRP 47 -8.495 -6.390 1.685 382 2HB TRP 47 1HB TRP 47 -9.052 -6.969 3.255 383 HD1 TRP 47 HD TRP 47 -7.628 -6.305 5.254 384 HE1 TRP 47 1HE TRP 47 -5.233 -5.414 5.597 385 HE3 TRP 47 3HE TRP 47 -5.903 -6.543 0.455 386 HZ2 TRP 47 2HZ TRP 47 -2.894 -4.873 4.039 387 HZ3 TRP 47 3HZ TRP 47 -3.591 -5.836 -0.088 388 HH2 TRP 47 HH TRP 47 -2.085 -5.002 1.696 389 H SER 48 H SER 48 -9.748 -9.811 3.371 390 HA SER 48 HA SER 48 -8.054 -10.448 5.692 391 1HB SER 48 2HB SER 48 -10.497 -9.840 5.762 392 2HB SER 48 1HB SER 48 -10.850 -11.352 4.931 393 HG SER 48 HG SER 48 -10.850 -11.213 7.388 394 H GLU 49 H GLU 49 -9.441 -12.112 2.880 395 HA GLU 49 HA GLU 49 -8.792 -14.802 3.629 396 1HB GLU 49 2HB GLU 49 -9.170 -13.337 1.007 397 2HB GLU 49 1HB GLU 49 -8.885 -15.077 1.068 398 1HG GLU 49 2HG GLU 49 -10.838 -15.135 2.766 399 2HG GLU 49 1HG GLU 49 -11.221 -13.519 2.173 400 H GLN 50 H GLN 50 -6.918 -12.226 2.106 401 HA GLN 50 HA GLN 50 -4.676 -13.792 1.227 402 1HB GLN 50 2HB GLN 50 -4.967 -10.900 2.105 403 2HB GLN 50 1HB GLN 50 -3.553 -11.542 1.267 404 1HG GLN 50 2HG GLN 50 -6.287 -11.962 0.093 405 2HG GLN 50 1HG GLN 50 -5.472 -10.412 -0.127 406 1HE2 GLN 50 1HE2 GLN 50 -4.413 -10.391 -2.109 407 2HE2 GLN 50 2HE2 GLN 50 -3.580 -11.705 -2.787 408 H SER 51 H SER 51 -2.673 -14.180 2.273 409 HA SER 51 HA SER 51 -2.776 -14.086 5.260 410 1HB SER 51 2HB SER 51 -0.972 -15.653 3.389 411 2HB SER 51 1HB SER 51 -1.203 -15.933 5.113 412 HG SER 51 HG SER 51 -3.193 -16.711 4.729 413 H ALA 52 H ALA 52 0.125 -14.450 5.468 414 HA ALA 52 HA ALA 52 0.948 -11.639 5.305 415 1HB ALA 52 1HB ALA 52 1.496 -13.135 7.200 416 2HB ALA 52 2HB ALA 52 2.967 -12.543 6.426 417 3HB ALA 52 3HB ALA 52 2.402 -14.184 6.109 418 H LYS 53 H LYS 53 0.502 -12.183 2.724 419 HA LYS 53 HA LYS 53 3.233 -12.567 1.556 420 1HB LYS 53 2HB LYS 53 1.284 -14.456 1.483 421 2HB LYS 53 1HB LYS 53 0.871 -13.535 0.036 422 1HG LYS 53 2HG LYS 53 3.006 -13.904 -0.941 423 2HG LYS 53 1HG LYS 53 3.695 -14.457 0.587 424 1HD LYS 53 2HD LYS 53 2.018 -16.375 0.504 425 2HD LYS 53 1HD LYS 53 1.678 -15.888 -1.156 426 1HE LYS 53 2HE LYS 53 3.949 -16.313 -1.839 427 2HE LYS 53 1HE LYS 53 4.472 -16.528 -0.156 428 1HZ LYS 53 1HZ LYS 53 4.030 -18.665 -1.235 429 2HZ LYS 53 2HZ LYS 53 2.429 -18.185 -1.543 430 3HZ LYS 53 3HZ LYS 53 2.964 -18.391 0.056 431 H ASP 54 H ASP 54 -0.125 -11.561 0.796 432 HA ASP 54 HA ASP 54 0.618 -9.857 -1.420 433 1HB ASP 54 2HB ASP 54 -1.626 -10.968 -0.822 434 2HB ASP 54 1HB ASP 54 -1.849 -9.638 0.317 435 H LYS 55 H LYS 55 0.367 -9.334 2.063 436 HA LYS 55 HA LYS 55 0.387 -6.417 1.866 437 1HB LYS 55 2HB LYS 55 -0.648 -7.765 3.703 438 2HB LYS 55 1HB LYS 55 0.967 -8.276 4.193 439 1HG LYS 55 2HG LYS 55 1.598 -6.061 4.792 440 2HG LYS 55 1HG LYS 55 0.214 -5.359 3.954 441 1HD LYS 55 2HD LYS 55 -0.450 -5.301 6.209 442 2HD LYS 55 1HD LYS 55 -1.217 -6.771 5.606 443 1HE LYS 55 2HE LYS 55 0.392 -8.175 6.644 444 2HE LYS 55 1HE LYS 55 1.526 -6.831 6.886 445 1HZ LYS 55 1HZ LYS 55 0.311 -7.313 8.927 446 2HZ LYS 55 2HZ LYS 55 -1.166 -7.070 8.125 447 3HZ LYS 55 3HZ LYS 55 -0.090 -5.773 8.340 448 H GLN 56 H GLN 56 2.793 -8.962 2.512 449 HA GLN 56 HA GLN 56 5.005 -7.603 3.434 450 1HB GLN 56 2HB GLN 56 4.471 -9.911 1.673 451 2HB GLN 56 1HB GLN 56 6.106 -9.262 1.552 452 1HG GLN 56 2HG GLN 56 4.810 -9.850 4.219 453 2HG GLN 56 1HG GLN 56 5.725 -11.070 3.332 454 1HE2 GLN 56 1HE2 GLN 56 8.055 -10.603 2.919 455 2HE2 GLN 56 2HE2 GLN 56 8.887 -9.512 3.919 456 HA PRO 57 HA PRO 57 6.362 -6.069 -0.863 457 1HB PRO 57 2HB PRO 57 4.717 -6.369 -3.011 458 2HB PRO 57 1HB PRO 57 5.878 -7.612 -2.505 459 1HG PRO 57 2HG PRO 57 2.952 -7.476 -2.088 460 2HG PRO 57 1HG PRO 57 3.981 -8.882 -2.391 461 1HD PRO 57 2HD PRO 57 2.986 -8.155 0.078 462 2HD PRO 57 1HD PRO 57 4.417 -9.176 -0.179 463 H TYR 58 H TYR 58 2.830 -5.818 -0.482 464 HA TYR 58 HA TYR 58 2.709 -3.103 -1.569 465 1HB TYR 58 2HB TYR 58 0.989 -5.276 -1.057 466 2HB TYR 58 1HB TYR 58 0.407 -3.981 -0.016 467 HD1 TYR 58 1HD TYR 58 1.297 -4.837 -3.527 468 HD2 TYR 58 2HD TYR 58 -0.735 -2.092 -0.922 469 HE1 TYR 58 1HE TYR 58 0.258 -3.741 -5.494 470 HE2 TYR 58 2HE TYR 58 -1.773 -0.996 -2.890 471 HH TYR 58 HH TYR 58 -0.788 -1.029 -5.744 472 H GLU 59 H GLU 59 3.378 -4.396 1.563 473 HA GLU 59 HA GLU 59 2.342 -2.102 3.071 474 1HB GLU 59 2HB GLU 59 3.227 -3.330 4.977 475 2HB GLU 59 1HB GLU 59 2.441 -4.467 3.890 476 1HG GLU 59 2HG GLU 59 4.365 -5.657 3.972 477 2HG GLU 59 1HG GLU 59 5.046 -4.405 2.938 478 H GLN 60 H GLN 60 5.389 -2.988 1.588 479 HA GLN 60 HA GLN 60 6.993 -1.073 3.110 480 1HB GLN 60 2HB GLN 60 8.736 -1.753 1.472 481 2HB GLN 60 1HB GLN 60 7.930 -3.143 2.196 482 1HG GLN 60 2HG GLN 60 6.716 -3.614 0.250 483 2HG GLN 60 1HG GLN 60 6.918 -1.985 -0.392 484 1HE2 GLN 60 1HE2 GLN 60 8.406 -1.910 -2.071 485 2HE2 GLN 60 2HE2 GLN 60 9.759 -2.923 -2.227 486 H LYS 61 H LYS 61 5.002 -0.935 0.253 487 HA LYS 61 HA LYS 61 6.245 1.244 -1.127 488 1HB LYS 61 2HB LYS 61 4.503 -0.246 -2.055 489 2HB LYS 61 1HB LYS 61 3.334 0.395 -0.901 490 1HG LYS 61 2HG LYS 61 3.347 2.544 -1.923 491 2HG LYS 61 1HG LYS 61 4.805 2.181 -2.847 492 1HD LYS 61 2HD LYS 61 3.336 0.239 -3.850 493 2HD LYS 61 1HD LYS 61 1.991 1.244 -3.306 494 1HE LYS 61 2HE LYS 61 4.253 2.371 -4.978 495 2HE LYS 61 1HE LYS 61 2.787 1.679 -5.704 496 1HZ LYS 61 1HZ LYS 61 2.858 3.833 -3.655 497 2HZ LYS 61 2HZ LYS 61 1.452 3.149 -4.321 498 3HZ LYS 61 3HZ LYS 61 2.508 4.051 -5.300 499 H ALA 62 H ALA 62 3.605 1.235 1.300 500 HA ALA 62 HA ALA 62 3.582 4.166 1.439 501 1HB ALA 62 1HB ALA 62 2.057 3.403 3.488 502 2HB ALA 62 2HB ALA 62 2.159 1.837 2.684 503 3HB ALA 62 3HB ALA 62 1.488 3.225 1.828 504 H ALA 63 H ALA 63 5.441 1.647 2.886 505 HA ALA 63 HA ALA 63 5.940 2.742 5.489 506 1HB ALA 63 1HB ALA 63 6.518 0.448 4.734 507 2HB ALA 63 2HB ALA 63 7.939 1.280 5.365 508 3HB ALA 63 3HB ALA 63 7.711 1.120 3.623 509 H LYS 64 H LYS 64 7.147 3.518 2.267 510 HA LYS 64 HA LYS 64 9.347 5.206 3.221 511 1HB LYS 64 2HB LYS 64 9.569 4.026 1.144 512 2HB LYS 64 1HB LYS 64 8.008 4.603 0.588 513 1HG LYS 64 2HG LYS 64 8.928 6.451 -0.300 514 2HG LYS 64 1HG LYS 64 9.704 6.856 1.233 515 1HD LYS 64 2HD LYS 64 11.468 6.560 -0.371 516 2HD LYS 64 1HD LYS 64 11.480 5.134 0.667 517 1HE LYS 64 2HE LYS 64 10.486 3.768 -0.995 518 2HE LYS 64 1HE LYS 64 9.919 5.168 -1.926 519 1HZ LYS 64 1HZ LYS 64 12.744 4.364 -1.472 520 2HZ LYS 64 2HZ LYS 64 12.269 5.815 -2.218 521 3HZ LYS 64 3HZ LYS 64 11.907 4.323 -2.947 522 H LEU 65 H LEU 65 6.508 5.939 1.185 523 HA LEU 65 HA LEU 65 6.429 8.707 1.396 524 1HB LEU 65 2HB LEU 65 4.292 6.587 1.204 525 2HB LEU 65 1HB LEU 65 3.884 8.302 1.136 526 HG LEU 65 HG LEU 65 5.962 8.217 -0.628 527 1HD1 LEU 65 1HD1 LEU 65 6.384 5.944 -0.817 528 2HD1 LEU 65 2HD1 LEU 65 5.164 6.140 -2.075 529 3HD1 LEU 65 3HD1 LEU 65 4.708 5.500 -0.496 530 1HD2 LEU 65 1HD2 LEU 65 3.027 7.665 -1.180 531 2HD2 LEU 65 2HD2 LEU 65 4.195 8.185 -2.395 532 3HD2 LEU 65 3HD2 LEU 65 3.786 9.252 -1.052 533 H LYS 66 H LYS 66 5.611 6.431 3.950 534 HA LYS 66 HA LYS 66 3.936 8.142 5.548 535 1HB LYS 66 2HB LYS 66 4.216 5.671 5.782 536 2HB LYS 66 1HB LYS 66 5.860 5.937 6.363 537 1HG LYS 66 2HG LYS 66 4.607 5.744 8.350 538 2HG LYS 66 1HG LYS 66 4.755 7.488 8.128 539 1HD LYS 66 2HD LYS 66 2.540 7.719 7.411 540 2HD LYS 66 1HD LYS 66 2.411 6.021 6.947 541 1HE LYS 66 2HE LYS 66 2.798 5.579 9.520 542 2HE LYS 66 1HE LYS 66 2.220 7.250 9.685 543 1HZ LYS 66 1HZ LYS 66 0.346 5.744 9.686 544 2HZ LYS 66 2HZ LYS 66 0.854 5.053 8.219 545 3HZ LYS 66 3HZ LYS 66 0.325 6.667 8.263 546 H GLU 67 H GLU 67 7.448 7.522 5.571 547 HA GLU 67 HA GLU 67 8.088 9.302 7.739 548 1HB GLU 67 2HB GLU 67 9.558 7.999 5.454 549 2HB GLU 67 1HB GLU 67 10.397 9.135 6.512 550 1HG GLU 67 2HG GLU 67 9.687 7.782 8.478 551 2HG GLU 67 1HG GLU 67 8.950 6.616 7.379 552 H LYS 68 H LYS 68 8.498 9.734 4.196 553 HA LYS 68 HA LYS 68 9.347 12.436 4.219 554 1HB LYS 68 2HB LYS 68 7.822 10.694 2.281 555 2HB LYS 68 1HB LYS 68 8.235 12.360 1.870 556 1HG LYS 68 2HG LYS 68 10.623 11.865 2.325 557 2HG LYS 68 1HG LYS 68 10.196 10.189 2.675 558 1HD LYS 68 2HD LYS 68 9.580 9.753 0.441 559 2HD LYS 68 1HD LYS 68 9.426 11.467 0.055 560 1HE LYS 68 2HE LYS 68 11.777 11.786 -0.008 561 2HE LYS 68 1HE LYS 68 12.087 10.267 0.858 562 1HZ LYS 68 1HZ LYS 68 12.420 10.002 -1.534 563 2HZ LYS 68 2HZ LYS 68 10.819 10.494 -1.822 564 3HZ LYS 68 3HZ LYS 68 11.129 9.047 -0.988 565 H TYR 69 H TYR 69 6.113 11.074 4.530 566 HA TYR 69 HA TYR 69 4.680 13.577 4.119 567 1HB TYR 69 2HB TYR 69 4.134 10.770 4.981 568 2HB TYR 69 1HB TYR 69 2.947 11.989 5.427 569 HD1 TYR 69 1HD TYR 69 5.100 11.544 2.377 570 HD2 TYR 69 2HD TYR 69 1.131 11.880 3.983 571 HE1 TYR 69 1HE TYR 69 4.167 11.508 0.080 572 HE2 TYR 69 2HE TYR 69 0.197 11.845 1.686 573 HH TYR 69 HH TYR 69 1.414 12.559 -0.801 574 H GLU 70 H GLU 70 4.775 11.532 7.033 575 HA GLU 70 HA GLU 70 3.968 13.411 8.943 576 1HB GLU 70 2HB GLU 70 5.740 10.991 8.939 577 2HB GLU 70 1HB GLU 70 5.568 11.918 10.430 578 1HG GLU 70 2HG GLU 70 3.140 11.079 8.855 579 2HG GLU 70 1HG GLU 70 3.899 9.971 9.999 580 H LYS 71 H LYS 71 7.159 13.080 7.477 581 HA LYS 71 HA LYS 71 8.454 14.902 9.388 582 1HB LYS 71 2HB LYS 71 9.480 12.905 8.177 583 2HB LYS 71 1HB LYS 71 9.438 13.885 6.711 584 1HG LYS 71 2HG LYS 71 10.691 15.671 8.084 585 2HG LYS 71 1HG LYS 71 11.002 14.380 9.244 586 1HD LYS 71 2HD LYS 71 11.631 14.062 6.307 587 2HD LYS 71 1HD LYS 71 12.792 14.762 7.436 588 1HE LYS 71 2HE LYS 71 11.483 12.138 8.121 589 2HE LYS 71 1HE LYS 71 12.861 12.169 7.002 590 1HZ LYS 71 1HZ LYS 71 12.793 13.439 9.690 591 2HZ LYS 71 2HZ LYS 71 14.106 13.463 8.612 592 3HZ LYS 71 3HZ LYS 71 13.603 11.997 9.309 593 H ASP 72 H ASP 72 7.906 15.013 5.844 594 HA ASP 72 HA ASP 72 8.575 17.780 5.538 595 1HB ASP 72 2HB ASP 72 8.384 15.878 3.820 596 2HB ASP 72 1HB ASP 72 6.649 16.196 3.828 597 H ILE 73 H ILE 73 5.527 16.185 6.378 598 HA ILE 73 HA ILE 73 3.837 18.485 5.887 599 HB ILE 73 HB ILE 73 3.225 16.008 6.022 600 1HG1 ILE 73 2HG1 ILE 73 1.021 16.511 7.170 601 2HG1 ILE 73 1HG1 ILE 73 1.683 18.095 7.577 602 1HG2 ILE 73 1HG2 ILE 73 2.855 14.975 8.126 603 2HG2 ILE 73 2HG2 ILE 73 3.027 16.499 8.995 604 3HG2 ILE 73 3HG2 ILE 73 4.440 15.733 8.274 605 1HD1 ILE 73 1HD1 ILE 73 1.580 17.021 4.748 606 2HD1 ILE 73 2HD1 ILE 73 1.949 18.669 5.256 607 3HD1 ILE 73 3HD1 ILE 73 0.314 18.033 5.444 608 H ALA 74 H ALA 74 5.612 17.290 8.713 609 HA ALA 74 HA ALA 74 4.475 18.962 10.723 610 1HB ALA 74 1HB ALA 74 6.530 18.428 11.933 611 2HB ALA 74 2HB ALA 74 7.346 18.016 10.424 612 3HB ALA 74 3HB ALA 74 6.026 17.008 11.018 613 H ALA 75 H ALA 75 7.348 19.503 8.658 614 HA ALA 75 HA ALA 75 7.751 22.230 9.625 615 1HB ALA 75 1HB ALA 75 9.499 20.608 8.778 616 2HB ALA 75 2HB ALA 75 9.567 22.201 8.024 617 3HB ALA 75 3HB ALA 75 8.844 20.846 7.158 618 H TYR 76 H TYR 76 5.623 20.818 7.321 619 HA TYR 76 HA TYR 76 5.509 23.127 5.508 620 1HB TYR 76 2HB TYR 76 5.146 20.748 4.836 621 2HB TYR 76 1HB TYR 76 3.700 20.708 5.846 622 HD1 TYR 76 1HD TYR 76 1.634 21.381 4.954 623 HD2 TYR 76 2HD TYR 76 5.270 22.637 3.044 624 HE1 TYR 76 1HE TYR 76 0.318 22.377 3.104 625 HE2 TYR 76 2HE TYR 76 3.955 23.632 1.193 626 HH TYR 76 HH TYR 76 1.343 24.579 1.098 627 H ARG 77 H ARG 77 3.764 21.913 8.323 628 HA ARG 77 HA ARG 77 1.553 23.835 8.027 629 1HB ARG 77 2HB ARG 77 2.386 21.819 10.130 630 2HB ARG 77 1HB ARG 77 0.905 22.773 10.228 631 1HG ARG 77 2HG ARG 77 0.046 21.798 8.204 632 2HG ARG 77 1HG ARG 77 1.592 21.023 7.856 633 1HD ARG 77 2HD ARG 77 1.304 19.394 9.511 634 2HD ARG 77 1HD ARG 77 0.174 20.401 10.440 635 HE ARG 77 HE ARG 77 -0.593 19.403 7.730 636 1HH1 ARG 77 1HH2 ARG 77 -2.327 21.077 9.660 637 2HH1 ARG 77 2HH2 ARG 77 -3.383 19.849 10.276 638 1HH2 ARG 77 1HH1 ARG 77 -1.421 17.222 9.150 639 2HH2 ARG 77 2HH1 ARG 77 -2.870 17.667 9.987 640 H ALA 78 H ALA 78 4.694 24.324 8.908 641 HA ALA 78 HA ALA 78 5.805 25.901 10.268 642 1HB ALA 78 1HB ALA 78 4.748 28.029 10.206 643 2HB ALA 78 2HB ALA 78 3.135 27.317 10.242 644 3HB ALA 78 3HB ALA 78 4.125 27.185 8.789 645 H LYS 79 H LYS 79 5.956 24.529 12.176 646 HA LYS 79 HA LYS 79 3.983 25.230 14.330 647 1HB LYS 79 2HB LYS 79 4.404 22.789 13.165 648 2HB LYS 79 1HB LYS 79 5.528 22.712 14.522 649 1HG LYS 79 2HG LYS 79 3.595 21.951 15.551 650 2HG LYS 79 1HG LYS 79 3.454 23.679 15.865 651 1HD LYS 79 2HD LYS 79 2.272 23.575 13.439 652 2HD LYS 79 1HD LYS 79 1.884 21.956 14.022 653 1HE LYS 79 2HE LYS 79 1.051 23.049 16.170 654 2HE LYS 79 1HE LYS 79 1.186 24.604 15.323 655 1HZ LYS 79 1HZ LYS 79 -1.019 23.620 15.028 656 2HZ LYS 79 2HZ LYS 79 -0.318 22.234 14.340 657 3HZ LYS 79 3HZ LYS 79 -0.196 23.734 13.551 Start of MODEL 15 1 1H MET 1 1HT MET 1 -12.077 14.643 -4.338 2 2H MET 1 2HT MET 1 -11.948 14.433 -6.018 3 3H MET 1 3HT MET 1 -10.640 15.061 -5.137 4 HA MET 1 HA MET 1 -11.728 12.321 -4.736 5 1HB MET 1 2HB MET 1 -10.789 12.970 -7.044 6 2HB MET 1 1HB MET 1 -9.235 13.159 -6.230 7 1HG MET 1 2HG MET 1 -9.186 10.925 -6.980 8 2HG MET 1 1HG MET 1 -9.677 10.780 -5.292 9 1HE MET 1 1HE MET 1 -10.353 9.680 -8.784 10 2HE MET 1 2HE MET 1 -10.922 11.345 -8.875 11 3HE MET 1 3HE MET 1 -12.062 10.020 -9.091 12 H LYS 2 H LYS 2 -11.105 14.186 -2.646 13 HA LYS 2 HA LYS 2 -9.754 14.403 -0.719 14 1HB LYS 2 2HB LYS 2 -9.541 11.584 -1.693 15 2HB LYS 2 1HB LYS 2 -8.453 12.082 -0.396 16 1HG LYS 2 2HG LYS 2 -10.294 11.385 0.838 17 2HG LYS 2 1HG LYS 2 -10.665 13.099 0.640 18 1HD LYS 2 2HD LYS 2 -12.671 11.991 0.034 19 2HD LYS 2 1HD LYS 2 -11.913 12.392 -1.507 20 1HE LYS 2 2HE LYS 2 -10.802 9.926 -0.941 21 2HE LYS 2 1HE LYS 2 -12.458 9.763 -0.321 22 1HZ LYS 2 1HZ LYS 2 -12.434 9.269 -2.670 23 2HZ LYS 2 2HZ LYS 2 -11.676 10.750 -3.014 24 3HZ LYS 2 3HZ LYS 2 -13.265 10.724 -2.414 25 H LYS 3 H LYS 3 -8.302 16.033 -1.518 26 HA LYS 3 HA LYS 3 -5.525 15.245 -1.674 27 1HB LYS 3 2HB LYS 3 -6.517 14.670 -3.948 28 2HB LYS 3 1HB LYS 3 -6.775 16.400 -4.180 29 1HG LYS 3 2HG LYS 3 -4.380 16.824 -3.914 30 2HG LYS 3 1HG LYS 3 -4.092 15.114 -3.591 31 1HD LYS 3 2HD LYS 3 -5.022 14.580 -5.852 32 2HD LYS 3 1HD LYS 3 -5.139 16.311 -6.171 33 1HE LYS 3 2HE LYS 3 -2.698 16.546 -5.838 34 2HE LYS 3 1HE LYS 3 -2.577 14.802 -5.532 35 1HZ LYS 3 1HZ LYS 3 -3.575 14.383 -7.690 36 2HZ LYS 3 2HZ LYS 3 -2.161 15.309 -7.868 37 3HZ LYS 3 3HZ LYS 3 -3.687 16.048 -7.993 38 H LYS 4 H LYS 4 -5.095 16.860 -0.145 39 HA LYS 4 HA LYS 4 -6.180 19.488 -0.092 40 1HB LYS 4 2HB LYS 4 -3.667 18.175 0.941 41 2HB LYS 4 1HB LYS 4 -3.983 19.885 1.242 42 1HG LYS 4 2HG LYS 4 -5.936 19.428 2.489 43 2HG LYS 4 1HG LYS 4 -6.062 17.787 1.854 44 1HD LYS 4 2HD LYS 4 -5.170 17.364 3.958 45 2HD LYS 4 1HD LYS 4 -3.695 17.500 2.998 46 1HE LYS 4 2HE LYS 4 -3.263 18.916 4.848 47 2HE LYS 4 1HE LYS 4 -3.839 20.051 3.611 48 1HZ LYS 4 1HZ LYS 4 -5.044 20.344 5.699 49 2HZ LYS 4 2HZ LYS 4 -5.537 18.718 5.656 50 3HZ LYS 4 3HZ LYS 4 -6.082 19.806 4.469 51 H ASP 5 H ASP 5 -2.850 18.601 -1.094 52 HA ASP 5 HA ASP 5 -2.983 20.333 -3.463 53 1HB ASP 5 2HB ASP 5 -1.811 21.149 -0.844 54 2HB ASP 5 1HB ASP 5 -0.897 21.580 -2.290 55 HA PRO 6 HA PRO 6 0.328 17.682 -4.674 56 1HB PRO 6 2HB PRO 6 1.893 19.295 -6.236 57 2HB PRO 6 1HB PRO 6 0.309 18.686 -6.760 58 1HG PRO 6 2HG PRO 6 1.051 21.364 -5.694 59 2HG PRO 6 1HG PRO 6 -0.091 20.935 -6.978 60 1HD PRO 6 2HD PRO 6 -0.848 21.600 -4.441 61 2HD PRO 6 1HD PRO 6 -1.797 20.541 -5.509 62 H ASN 7 H ASN 7 1.420 20.890 -3.579 63 HA ASN 7 HA ASN 7 4.082 19.970 -2.822 64 1HB ASN 7 2HB ASN 7 3.306 22.295 -3.553 65 2HB ASN 7 1HB ASN 7 2.625 22.469 -1.935 66 1HD2 ASN 7 1HD2 ASN 7 4.037 23.478 -0.511 67 2HD2 ASN 7 2HD2 ASN 7 5.731 23.391 -0.583 68 H ALA 8 H ALA 8 1.000 19.735 -1.298 69 HA ALA 8 HA ALA 8 2.232 19.553 1.417 70 1HB ALA 8 1HB ALA 8 -0.302 19.513 1.997 71 2HB ALA 8 2HB ALA 8 -0.550 19.966 0.311 72 3HB ALA 8 3HB ALA 8 0.368 21.024 1.382 73 HA PRO 9 HA PRO 9 1.856 15.140 0.805 74 1HB PRO 9 2HB PRO 9 2.434 14.319 3.348 75 2HB PRO 9 1HB PRO 9 3.674 14.864 2.201 76 1HG PRO 9 2HG PRO 9 2.425 16.320 4.469 77 2HG PRO 9 1HG PRO 9 4.094 16.358 3.884 78 1HD PRO 9 2HD PRO 9 2.246 18.310 3.358 79 2HD PRO 9 1HD PRO 9 3.646 17.960 2.319 80 H LYS 10 H LYS 10 -0.209 14.388 0.572 81 HA LYS 10 HA LYS 10 -2.454 15.086 2.168 82 1HB LYS 10 2HB LYS 10 -3.517 13.199 0.950 83 2HB LYS 10 1HB LYS 10 -2.538 14.191 -0.128 84 1HG LYS 10 2HG LYS 10 -0.779 12.237 0.917 85 2HG LYS 10 1HG LYS 10 -2.261 11.376 0.511 86 1HD LYS 10 2HD LYS 10 -2.203 12.215 -1.760 87 2HD LYS 10 1HD LYS 10 -0.842 13.272 -1.381 88 1HE LYS 10 2HE LYS 10 0.540 11.254 -0.858 89 2HE LYS 10 1HE LYS 10 -0.819 10.232 -1.368 90 1HZ LYS 10 1HZ LYS 10 0.780 10.727 -3.184 91 2HZ LYS 10 2HZ LYS 10 0.376 12.371 -3.047 92 3HZ LYS 10 3HZ LYS 10 -0.802 11.241 -3.518 93 H ARG 11 H ARG 11 -3.684 12.652 2.851 94 HA ARG 11 HA ARG 11 -2.643 12.138 5.475 95 1HB ARG 11 2HB ARG 11 -4.799 11.218 3.684 96 2HB ARG 11 1HB ARG 11 -4.264 9.993 4.834 97 1HG ARG 11 2HG ARG 11 -6.001 11.219 5.935 98 2HG ARG 11 1HG ARG 11 -4.485 11.779 6.642 99 1HD ARG 11 2HD ARG 11 -4.684 13.533 4.586 100 2HD ARG 11 1HD ARG 11 -6.405 13.243 4.908 101 HE ARG 11 HE ARG 11 -4.524 13.923 7.134 102 1HH1 ARG 11 1HH2 ARG 11 -6.382 15.676 5.097 103 2HH1 ARG 11 2HH2 ARG 11 -7.515 16.255 6.273 104 1HH2 ARG 11 1HH1 ARG 11 -6.433 14.098 8.764 105 2HH2 ARG 11 2HH1 ARG 11 -7.543 15.361 8.349 106 HA PRO 12 HA PRO 12 0.431 9.126 4.408 107 1HB PRO 12 2HB PRO 12 0.766 7.926 6.841 108 2HB PRO 12 1HB PRO 12 1.405 9.539 6.466 109 1HG PRO 12 2HG PRO 12 -1.010 8.773 8.013 110 2HG PRO 12 1HG PRO 12 0.123 10.105 8.269 111 1HD PRO 12 2HD PRO 12 -2.356 10.382 7.121 112 2HD PRO 12 1HD PRO 12 -0.997 11.496 6.857 113 HA PRO 13 HA PRO 13 -2.311 5.616 3.888 114 1HB PRO 13 2HB PRO 13 -0.739 4.166 2.191 115 2HB PRO 13 1HB PRO 13 -1.675 5.580 1.670 116 1HG PRO 13 2HG PRO 13 1.222 5.309 2.137 117 2HG PRO 13 1HG PRO 13 0.345 6.397 1.053 118 1HD PRO 13 2HD PRO 13 1.459 7.057 3.548 119 2HD PRO 13 1HD PRO 13 0.341 8.052 2.593 120 H SER 14 H SER 14 -1.782 3.030 3.875 121 HA SER 14 HA SER 14 0.460 2.238 5.580 122 1HB SER 14 2HB SER 14 -0.861 1.752 7.549 123 2HB SER 14 1HB SER 14 -1.192 3.418 7.084 124 HG SER 14 HG SER 14 -3.142 2.413 7.435 125 H ALA 15 H ALA 15 0.009 1.110 3.184 126 HA ALA 15 HA ALA 15 -0.237 -0.961 2.150 127 1HB ALA 15 1HB ALA 15 -1.265 -2.526 4.356 128 2HB ALA 15 2HB ALA 15 0.051 -1.499 4.922 129 3HB ALA 15 3HB ALA 15 0.318 -2.614 3.585 130 H PHE 16 H PHE 16 -2.836 -1.348 4.598 131 HA PHE 16 HA PHE 16 -4.840 -2.308 2.942 132 1HB PHE 16 2HB PHE 16 -4.719 -1.851 5.481 133 2HB PHE 16 1HB PHE 16 -5.345 -0.249 5.090 134 HD1 PHE 16 1HD PHE 16 -6.223 -3.622 5.803 135 HD2 PHE 16 2HD PHE 16 -7.464 -0.186 3.545 136 HE1 PHE 16 1HE PHE 16 -8.520 -4.546 5.659 137 HE2 PHE 16 2HE PHE 16 -9.761 -1.110 3.399 138 HZ PHE 16 HZ PHE 16 -10.289 -3.291 4.456 139 H PHE 17 H PHE 17 -4.340 1.161 3.699 140 HA PHE 17 HA PHE 17 -6.382 2.226 2.033 141 1HB PHE 17 2HB PHE 17 -4.852 3.321 3.804 142 2HB PHE 17 1HB PHE 17 -3.676 3.494 2.501 143 HD1 PHE 17 1HD PHE 17 -7.133 4.370 3.561 144 HD2 PHE 17 2HD PHE 17 -3.921 5.171 0.823 145 HE1 PHE 17 1HE PHE 17 -8.323 6.392 2.756 146 HE2 PHE 17 2HE PHE 17 -5.111 7.192 0.018 147 HZ PHE 17 HZ PHE 17 -7.312 7.802 0.985 148 H LEU 18 H LEU 18 -3.033 1.291 1.280 149 HA LEU 18 HA LEU 18 -2.992 2.333 -1.411 150 1HB LEU 18 2HB LEU 18 -1.422 0.028 -0.207 151 2HB LEU 18 1HB LEU 18 -0.944 1.019 -1.580 152 HG LEU 18 HG LEU 18 -1.205 1.920 1.308 153 1HD1 LEU 18 1HD1 LEU 18 1.185 2.268 1.168 154 2HD1 LEU 18 2HD1 LEU 18 1.185 1.868 -0.549 155 3HD1 LEU 18 3HD1 LEU 18 0.834 0.620 0.646 156 1HD2 LEU 18 1HD2 LEU 18 -0.137 4.060 0.216 157 2HD2 LEU 18 2HD2 LEU 18 -1.884 3.836 0.120 158 3HD2 LEU 18 3HD2 LEU 18 -0.868 3.449 -1.269 159 H PHE 19 H PHE 19 -3.809 -0.841 -0.020 160 HA PHE 19 HA PHE 19 -4.128 -2.202 -2.557 161 1HB PHE 19 2HB PHE 19 -3.669 -3.233 -0.315 162 2HB PHE 19 1HB PHE 19 -5.311 -2.810 0.170 163 HD1 PHE 19 1HD PHE 19 -3.283 -4.876 -2.139 164 HD2 PHE 19 2HD PHE 19 -7.222 -4.028 -0.650 165 HE1 PHE 19 1HE PHE 19 -4.136 -6.937 -3.224 166 HE2 PHE 19 2HE PHE 19 -8.074 -6.089 -1.735 167 HZ PHE 19 HZ PHE 19 -6.531 -7.543 -3.021 168 H CYS 20 H CYS 20 -6.529 -0.992 -0.182 169 HA CYS 20 HA CYS 20 -8.877 -1.561 -1.662 170 1HB CYS 20 2HB CYS 20 -8.637 -0.813 0.738 171 2HB CYS 20 1HB CYS 20 -8.355 0.823 0.141 172 HG CYS 20 HG CYS 20 -10.865 0.871 0.365 173 H SER 21 H SER 21 -7.105 1.555 -1.509 174 HA SER 21 HA SER 21 -8.633 2.987 -3.414 175 1HB SER 21 2HB SER 21 -6.814 3.796 -1.842 176 2HB SER 21 1HB SER 21 -5.637 3.150 -2.981 177 HG SER 21 HG SER 21 -7.614 5.132 -3.470 178 H GLU 22 H GLU 22 -6.114 0.565 -3.904 179 HA GLU 22 HA GLU 22 -5.931 1.124 -6.801 180 1HB GLU 22 2HB GLU 22 -4.557 -0.537 -4.748 181 2HB GLU 22 1HB GLU 22 -4.422 -1.045 -6.428 182 1HG GLU 22 2HG GLU 22 -3.801 1.753 -5.441 183 2HG GLU 22 1HG GLU 22 -2.584 0.505 -5.709 184 H TYR 23 H TYR 23 -7.460 -1.184 -4.621 185 HA TYR 23 HA TYR 23 -8.221 -2.969 -6.868 186 1HB TYR 23 2HB TYR 23 -8.157 -3.025 -3.887 187 2HB TYR 23 1HB TYR 23 -9.347 -4.054 -4.683 188 HD1 TYR 23 1HD TYR 23 -5.717 -3.141 -4.796 189 HD2 TYR 23 2HD TYR 23 -8.702 -6.134 -5.556 190 HE1 TYR 23 1HE TYR 23 -3.936 -4.777 -5.347 191 HE2 TYR 23 2HE TYR 23 -6.921 -7.771 -6.106 192 HH TYR 23 HH TYR 23 -4.542 -8.121 -5.642 193 H ARG 24 H ARG 24 -9.423 -0.102 -6.082 194 HA ARG 24 HA ARG 24 -12.243 -0.807 -5.681 195 1HB ARG 24 2HB ARG 24 -10.533 1.626 -5.684 196 2HB ARG 24 1HB ARG 24 -12.248 1.829 -6.040 197 1HG ARG 24 2HG ARG 24 -12.903 0.847 -3.965 198 2HG ARG 24 1HG ARG 24 -11.267 0.269 -3.645 199 1HD ARG 24 2HD ARG 24 -11.171 2.187 -2.364 200 2HD ARG 24 1HD ARG 24 -10.789 2.937 -3.927 201 HE ARG 24 HE ARG 24 -13.313 3.279 -4.163 202 1HH1 ARG 24 1HH2 ARG 24 -13.512 1.771 -1.392 203 2HH1 ARG 24 2HH2 ARG 24 -13.960 3.107 -0.384 204 1HH2 ARG 24 1HH1 ARG 24 -13.140 5.507 -2.748 205 2HH2 ARG 24 2HH1 ARG 24 -13.748 5.223 -1.152 206 HA PRO 25 HA PRO 25 -12.502 1.231 -10.054 207 1HB PRO 25 2HB PRO 25 -10.298 1.004 -11.667 208 2HB PRO 25 1HB PRO 25 -10.649 2.431 -10.673 209 1HG PRO 25 2HG PRO 25 -8.784 0.174 -10.152 210 2HG PRO 25 1HG PRO 25 -8.578 1.905 -9.840 211 1HD PRO 25 2HD PRO 25 -9.194 0.132 -7.919 212 2HD PRO 25 1HD PRO 25 -9.735 1.820 -7.852 213 H LYS 26 H LYS 26 -10.844 -1.694 -9.229 214 HA LYS 26 HA LYS 26 -11.402 -3.196 -11.659 215 1HB LYS 26 2HB LYS 26 -9.693 -3.682 -9.828 216 2HB LYS 26 1HB LYS 26 -11.052 -4.155 -8.803 217 1HG LYS 26 2HG LYS 26 -10.744 -5.370 -11.537 218 2HG LYS 26 1HG LYS 26 -9.798 -5.997 -10.187 219 1HD LYS 26 2HD LYS 26 -12.093 -6.034 -8.929 220 2HD LYS 26 1HD LYS 26 -12.782 -5.983 -10.553 221 1HE LYS 26 2HE LYS 26 -11.423 -7.988 -11.165 222 2HE LYS 26 1HE LYS 26 -10.847 -8.070 -9.488 223 1HZ LYS 26 1HZ LYS 26 -13.115 -8.205 -8.721 224 2HZ LYS 26 2HZ LYS 26 -12.833 -9.447 -9.846 225 3HZ LYS 26 3HZ LYS 26 -13.705 -8.062 -10.305 226 H ILE 27 H ILE 27 -12.863 -3.027 -8.418 227 HA ILE 27 HA ILE 27 -15.085 -4.726 -8.747 228 HB ILE 27 HB ILE 27 -14.969 -2.078 -7.258 229 1HG1 ILE 27 2HG1 ILE 27 -13.029 -3.292 -6.528 230 2HG1 ILE 27 1HG1 ILE 27 -14.252 -3.520 -5.292 231 1HG2 ILE 27 1HG2 ILE 27 -17.191 -2.984 -7.279 232 2HG2 ILE 27 2HG2 ILE 27 -16.508 -3.288 -5.682 233 3HG2 ILE 27 3HG2 ILE 27 -16.599 -4.593 -6.866 234 1HD1 ILE 27 1HD1 ILE 27 -13.383 -5.679 -5.617 235 2HD1 ILE 27 2HD1 ILE 27 -13.301 -5.480 -7.368 236 3HD1 ILE 27 3HD1 ILE 27 -14.865 -5.677 -6.575 237 H LYS 28 H LYS 28 -14.649 -1.363 -9.712 238 HA LYS 28 HA LYS 28 -17.421 -0.842 -10.312 239 1HB LYS 28 2HB LYS 28 -15.196 0.620 -11.710 240 2HB LYS 28 1HB LYS 28 -16.686 1.251 -11.027 241 1HG LYS 28 2HG LYS 28 -14.139 0.517 -9.619 242 2HG LYS 28 1HG LYS 28 -14.949 2.064 -9.632 243 1HD LYS 28 2HD LYS 28 -15.858 -0.452 -8.194 244 2HD LYS 28 1HD LYS 28 -15.262 1.032 -7.463 245 1HE LYS 28 2HE LYS 28 -17.731 0.970 -9.232 246 2HE LYS 28 1HE LYS 28 -17.800 0.810 -7.465 247 1HZ LYS 28 1HZ LYS 28 -17.976 3.121 -8.008 248 2HZ LYS 28 2HZ LYS 28 -16.607 3.050 -9.012 249 3HZ LYS 28 3HZ LYS 28 -16.442 2.862 -7.331 250 H SER 29 H SER 29 -14.682 -1.945 -12.289 251 HA SER 29 HA SER 29 -15.869 -1.758 -14.862 252 1HB SER 29 2HB SER 29 -13.485 -2.268 -14.287 253 2HB SER 29 1HB SER 29 -13.986 -3.880 -13.782 254 HG SER 29 HG SER 29 -13.251 -3.807 -15.964 255 H GLU 30 H GLU 30 -16.453 -4.043 -12.268 256 HA GLU 30 HA GLU 30 -18.201 -5.657 -14.098 257 1HB GLU 30 2HB GLU 30 -16.193 -6.267 -12.048 258 2HB GLU 30 1HB GLU 30 -17.704 -7.136 -11.790 259 1HG GLU 30 2HG GLU 30 -16.458 -7.037 -14.530 260 2HG GLU 30 1HG GLU 30 -15.900 -8.210 -13.336 261 H HIS 31 H HIS 31 -18.067 -3.775 -11.149 262 HA HIS 31 HA HIS 31 -20.945 -4.447 -10.618 263 1HB HIS 31 2HB HIS 31 -18.845 -3.478 -8.649 264 2HB HIS 31 1HB HIS 31 -20.452 -4.082 -8.269 265 HD1 HIS 31 1HD HIS 31 -17.000 -5.188 -9.081 266 HD2 HIS 31 2HD HIS 31 -20.745 -6.949 -8.584 267 HE1 HIS 31 1HE HIS 31 -16.598 -7.677 -8.888 268 HA PRO 32 HA PRO 32 -20.854 -0.008 -11.689 269 1HB PRO 32 2HB PRO 32 -23.394 0.087 -12.696 270 2HB PRO 32 1HB PRO 32 -21.994 -0.428 -13.648 271 1HG PRO 32 2HG PRO 32 -24.120 -2.057 -12.390 272 2HG PRO 32 1HG PRO 32 -23.225 -2.327 -13.893 273 1HD PRO 32 2HD PRO 32 -22.736 -3.625 -11.507 274 2HD PRO 32 1HD PRO 32 -21.577 -3.473 -12.845 275 H GLY 33 H GLY 33 -23.252 -1.904 -9.950 276 1HA GLY 33 2HA GLY 33 -24.438 0.453 -8.661 277 2HA GLY 33 1HA GLY 33 -24.872 -1.226 -8.360 278 H LEU 34 H LEU 34 -21.704 -1.535 -8.098 279 HA LEU 34 HA LEU 34 -21.610 -1.684 -5.252 280 1HB LEU 34 2HB LEU 34 -19.927 -2.146 -7.547 281 2HB LEU 34 1HB LEU 34 -18.988 -1.303 -6.322 282 HG LEU 34 HG LEU 34 -18.873 -3.784 -6.089 283 1HD1 LEU 34 1HD1 LEU 34 -19.850 -1.925 -3.999 284 2HD1 LEU 34 2HD1 LEU 34 -18.399 -2.927 -4.034 285 3HD1 LEU 34 3HD1 LEU 34 -19.953 -3.642 -3.607 286 1HD2 LEU 34 1HD2 LEU 34 -20.718 -5.109 -6.001 287 2HD2 LEU 34 2HD2 LEU 34 -21.576 -3.721 -6.667 288 3HD2 LEU 34 3HD2 LEU 34 -21.572 -4.002 -4.927 289 H SER 35 H SER 35 -22.459 0.457 -4.597 290 HA SER 35 HA SER 35 -21.029 2.916 -5.188 291 1HB SER 35 2HB SER 35 -22.510 3.779 -3.367 292 2HB SER 35 1HB SER 35 -23.399 2.831 -4.557 293 HG SER 35 HG SER 35 -23.945 2.181 -2.460 294 H ILE 36 H ILE 36 -20.066 4.231 -3.273 295 HA ILE 36 HA ILE 36 -17.760 2.991 -2.220 296 HB ILE 36 HB ILE 36 -19.392 5.406 -1.398 297 1HG1 ILE 36 2HG1 ILE 36 -16.994 6.313 -2.264 298 2HG1 ILE 36 1HG1 ILE 36 -17.073 4.801 -3.166 299 1HG2 ILE 36 1HG2 ILE 36 -17.214 6.049 -0.154 300 2HG2 ILE 36 2HG2 ILE 36 -16.825 4.329 -0.210 301 3HG2 ILE 36 3HG2 ILE 36 -18.272 4.878 0.636 302 1HD1 ILE 36 1HD1 ILE 36 -19.486 6.574 -3.123 303 2HD1 ILE 36 2HD1 ILE 36 -18.938 5.460 -4.377 304 3HD1 ILE 36 3HD1 ILE 36 -18.129 7.013 -4.162 305 H GLY 37 H GLY 37 -21.045 3.045 -0.966 306 1HA GLY 37 2HA GLY 37 -20.527 2.264 1.727 307 2HA GLY 37 1HA GLY 37 -22.022 1.924 0.851 308 H ASP 38 H ASP 38 -21.825 0.083 -0.789 309 HA ASP 38 HA ASP 38 -20.935 -2.316 0.534 310 1HB ASP 38 2HB ASP 38 -22.771 -1.860 -1.262 311 2HB ASP 38 1HB ASP 38 -21.456 -2.041 -2.424 312 H THR 39 H THR 39 -19.415 -0.151 -1.766 313 HA THR 39 HA THR 39 -17.331 -1.922 -2.695 314 HB THR 39 HB THR 39 -17.613 1.086 -2.504 315 HG1 THR 39 1HG THR 39 -17.878 -0.766 -4.628 316 1HG2 THR 39 1HG2 THR 39 -15.253 0.684 -2.672 317 2HG2 THR 39 2HG2 THR 39 -15.812 1.086 -4.296 318 3HG2 THR 39 3HG2 THR 39 -15.497 -0.595 -3.864 319 H ALA 40 H ALA 40 -17.739 0.056 0.179 320 HA ALA 40 HA ALA 40 -14.938 -0.025 0.996 321 1HB ALA 40 1HB ALA 40 -16.446 1.757 1.703 322 2HB ALA 40 2HB ALA 40 -15.953 0.846 3.130 323 3HB ALA 40 3HB ALA 40 -17.548 0.584 2.425 324 H LYS 41 H LYS 41 -17.912 -1.730 2.012 325 HA LYS 41 HA LYS 41 -16.449 -3.516 3.802 326 1HB LYS 41 2HB LYS 41 -18.676 -4.432 4.214 327 2HB LYS 41 1HB LYS 41 -18.761 -2.674 4.186 328 1HG LYS 41 2HG LYS 41 -19.339 -2.983 1.658 329 2HG LYS 41 1HG LYS 41 -19.717 -4.641 2.118 330 1HD LYS 41 2HD LYS 41 -21.765 -3.406 2.302 331 2HD LYS 41 1HD LYS 41 -21.194 -3.682 3.947 332 1HE LYS 41 2HE LYS 41 -19.952 -1.290 3.294 333 2HE LYS 41 1HE LYS 41 -21.535 -1.144 2.503 334 1HZ LYS 41 1HZ LYS 41 -22.583 -1.886 4.565 335 2HZ LYS 41 2HZ LYS 41 -21.694 -0.459 4.810 336 3HZ LYS 41 3HZ LYS 41 -21.069 -1.952 5.326 337 H LYS 42 H LYS 42 -17.234 -3.566 0.413 338 HA LYS 42 HA LYS 42 -17.265 -6.469 0.107 339 1HB LYS 42 2HB LYS 42 -18.401 -4.905 -1.436 340 2HB LYS 42 1HB LYS 42 -16.847 -4.189 -1.859 341 1HG LYS 42 2HG LYS 42 -17.539 -5.807 -3.571 342 2HG LYS 42 1HG LYS 42 -16.092 -6.380 -2.740 343 1HD LYS 42 2HD LYS 42 -17.187 -8.132 -1.758 344 2HD LYS 42 1HD LYS 42 -18.674 -7.211 -1.535 345 1HE LYS 42 2HE LYS 42 -19.525 -7.850 -3.567 346 2HE LYS 42 1HE LYS 42 -17.934 -7.822 -4.354 347 1HZ LYS 42 1HZ LYS 42 -17.325 -9.811 -3.133 348 2HZ LYS 42 2HZ LYS 42 -18.727 -10.099 -4.048 349 3HZ LYS 42 3HZ LYS 42 -18.840 -9.844 -2.372 350 H LEU 43 H LEU 43 -14.920 -3.973 -0.970 351 HA LEU 43 HA LEU 43 -12.800 -5.557 -1.811 352 1HB LEU 43 2HB LEU 43 -12.854 -2.966 -0.243 353 2HB LEU 43 1HB LEU 43 -11.397 -3.595 -1.013 354 HG LEU 43 HG LEU 43 -13.963 -3.222 -2.559 355 1HD1 LEU 43 1HD1 LEU 43 -13.227 -1.028 -3.226 356 2HD1 LEU 43 2HD1 LEU 43 -11.695 -1.222 -2.373 357 3HD1 LEU 43 3HD1 LEU 43 -13.197 -1.066 -1.463 358 1HD2 LEU 43 1HD2 LEU 43 -11.036 -3.307 -3.360 359 2HD2 LEU 43 2HD2 LEU 43 -12.404 -3.175 -4.464 360 3HD2 LEU 43 3HD2 LEU 43 -12.173 -4.646 -3.520 361 H GLY 44 H GLY 44 -13.815 -5.011 1.518 362 1HA GLY 44 2HA GLY 44 -11.408 -5.911 2.809 363 2HA GLY 44 1HA GLY 44 -13.011 -5.885 3.546 364 H GLU 45 H GLU 45 -14.277 -7.568 1.572 365 HA GLU 45 HA GLU 45 -14.018 -10.138 2.660 366 1HB GLU 45 2HB GLU 45 -15.628 -8.966 0.882 367 2HB GLU 45 1HB GLU 45 -14.592 -9.819 -0.261 368 1HG GLU 45 2HG GLU 45 -15.017 -11.938 0.980 369 2HG GLU 45 1HG GLU 45 -16.134 -11.066 2.031 370 H MET 46 H MET 46 -12.194 -8.725 -0.051 371 HA MET 46 HA MET 46 -10.759 -11.223 -0.626 372 1HB MET 46 2HB MET 46 -10.587 -8.343 -1.548 373 2HB MET 46 1HB MET 46 -9.507 -9.598 -2.157 374 1HG MET 46 2HG MET 46 -11.471 -10.915 -2.895 375 2HG MET 46 1HG MET 46 -12.535 -9.630 -2.322 376 1HE MET 46 1HE MET 46 -12.524 -10.595 -5.598 377 2HE MET 46 2HE MET 46 -13.115 -8.964 -5.904 378 3HE MET 46 3HE MET 46 -13.585 -9.802 -4.426 379 H TRP 47 H TRP 47 -10.004 -8.078 0.873 380 HA TRP 47 HA TRP 47 -7.261 -8.293 1.335 381 1HB TRP 47 2HB TRP 47 -8.780 -6.380 1.868 382 2HB TRP 47 1HB TRP 47 -9.358 -7.274 3.274 383 HD1 TRP 47 HD TRP 47 -8.110 -6.796 5.430 384 HE1 TRP 47 1HE TRP 47 -5.782 -5.883 6.059 385 HE3 TRP 47 3HE TRP 47 -6.072 -6.300 0.774 386 HZ2 TRP 47 2HZ TRP 47 -3.371 -5.054 4.757 387 HZ3 TRP 47 3HZ TRP 47 -3.762 -5.448 0.497 388 HH2 TRP 47 HH TRP 47 -2.410 -4.825 2.480 389 H SER 48 H SER 48 -9.859 -9.953 3.127 390 HA SER 48 HA SER 48 -7.918 -11.044 5.080 391 1HB SER 48 2HB SER 48 -10.210 -10.164 5.654 392 2HB SER 48 1HB SER 48 -10.897 -11.503 4.738 393 HG SER 48 HG SER 48 -10.599 -11.818 7.078 394 H GLU 49 H GLU 49 -9.629 -12.002 2.171 395 HA GLU 49 HA GLU 49 -9.554 -14.852 2.490 396 1HB GLU 49 2HB GLU 49 -9.726 -12.878 0.232 397 2HB GLU 49 1HB GLU 49 -9.503 -14.587 -0.146 398 1HG GLU 49 2HG GLU 49 -11.623 -13.788 1.823 399 2HG GLU 49 1HG GLU 49 -11.937 -13.608 0.096 400 H GLN 50 H GLN 50 -7.244 -12.560 1.026 401 HA GLN 50 HA GLN 50 -5.331 -14.468 0.093 402 1HB GLN 50 2HB GLN 50 -5.138 -11.593 1.035 403 2HB GLN 50 1HB GLN 50 -3.802 -12.443 0.256 404 1HG GLN 50 2HG GLN 50 -6.510 -12.395 -1.050 405 2HG GLN 50 1HG GLN 50 -5.428 -11.012 -1.217 406 1HE2 GLN 50 1HE2 GLN 50 -6.264 -13.846 -2.750 407 2HE2 GLN 50 2HE2 GLN 50 -4.810 -14.161 -3.568 408 H SER 51 H SER 51 -3.258 -15.026 1.061 409 HA SER 51 HA SER 51 -3.439 -15.517 3.969 410 1HB SER 51 2HB SER 51 -2.736 -17.210 2.239 411 2HB SER 51 1HB SER 51 -1.311 -16.226 1.916 412 HG SER 51 HG SER 51 -0.482 -17.327 3.506 413 H ALA 52 H ALA 52 -0.431 -15.438 4.200 414 HA ALA 52 HA ALA 52 -0.184 -12.600 4.926 415 1HB ALA 52 1HB ALA 52 1.727 -14.957 5.072 416 2HB ALA 52 2HB ALA 52 0.621 -14.455 6.351 417 3HB ALA 52 3HB ALA 52 1.956 -13.406 5.879 418 H LYS 53 H LYS 53 -0.486 -12.575 2.218 419 HA LYS 53 HA LYS 53 2.287 -12.086 1.181 420 1HB LYS 53 2HB LYS 53 0.655 -14.124 0.431 421 2HB LYS 53 1HB LYS 53 0.121 -12.873 -0.693 422 1HG LYS 53 2HG LYS 53 2.318 -12.596 -1.586 423 2HG LYS 53 1HG LYS 53 3.042 -13.534 -0.280 424 1HD LYS 53 2HD LYS 53 1.763 -15.534 -1.075 425 2HD LYS 53 1HD LYS 53 1.202 -14.580 -2.449 426 1HE LYS 53 2HE LYS 53 3.673 -14.135 -2.973 427 2HE LYS 53 1HE LYS 53 4.040 -15.423 -1.809 428 1HZ LYS 53 1HZ LYS 53 3.770 -16.339 -4.030 429 2HZ LYS 53 2HZ LYS 53 2.218 -15.658 -4.148 430 3HZ LYS 53 3HZ LYS 53 2.527 -16.884 -3.013 431 H ASP 54 H ASP 54 -1.165 -11.220 1.003 432 HA ASP 54 HA ASP 54 -1.010 -9.102 -0.878 433 1HB ASP 54 2HB ASP 54 -3.117 -8.368 0.231 434 2HB ASP 54 1HB ASP 54 -3.091 -10.108 -0.046 435 H LYS 55 H LYS 55 -0.434 -9.068 2.653 436 HA LYS 55 HA LYS 55 0.107 -6.160 2.586 437 1HB LYS 55 2HB LYS 55 -1.217 -7.414 4.360 438 2HB LYS 55 1HB LYS 55 0.313 -8.114 4.888 439 1HG LYS 55 2HG LYS 55 1.191 -5.989 5.495 440 2HG LYS 55 1HG LYS 55 -0.072 -5.129 4.615 441 1HD LYS 55 2HD LYS 55 -1.741 -6.204 6.210 442 2HD LYS 55 1HD LYS 55 -0.355 -6.719 7.173 443 1HE LYS 55 2HE LYS 55 -0.825 -3.827 6.380 444 2HE LYS 55 1HE LYS 55 -1.366 -4.517 7.923 445 1HZ LYS 55 1HZ LYS 55 1.416 -4.506 6.876 446 2HZ LYS 55 2HZ LYS 55 0.919 -5.296 8.295 447 3HZ LYS 55 3HZ LYS 55 0.837 -3.602 8.188 448 H GLN 56 H GLN 56 1.979 -8.289 1.322 449 HA GLN 56 HA GLN 56 4.398 -7.873 3.009 450 1HB GLN 56 2HB GLN 56 3.431 -9.832 1.050 451 2HB GLN 56 1HB GLN 56 5.116 -9.388 0.800 452 1HG GLN 56 2HG GLN 56 4.094 -10.079 3.550 453 2HG GLN 56 1HG GLN 56 4.602 -11.343 2.429 454 1HE2 GLN 56 1HE2 GLN 56 5.803 -9.690 4.971 455 2HE2 GLN 56 2HE2 GLN 56 7.435 -9.566 4.522 456 HA PRO 57 HA PRO 57 5.837 -5.795 -0.973 457 1HB PRO 57 2HB PRO 57 4.308 -5.773 -3.218 458 2HB PRO 57 1HB PRO 57 5.386 -7.122 -2.811 459 1HG PRO 57 2HG PRO 57 2.459 -6.921 -2.608 460 2HG PRO 57 1HG PRO 57 3.471 -8.338 -2.903 461 1HD PRO 57 2HD PRO 57 2.259 -7.626 -0.482 462 2HD PRO 57 1HD PRO 57 3.531 -8.842 -0.708 463 H TYR 58 H TYR 58 2.337 -5.513 -0.551 464 HA TYR 58 HA TYR 58 2.228 -2.703 -1.369 465 1HB TYR 58 2HB TYR 58 0.410 -4.858 -0.414 466 2HB TYR 58 1HB TYR 58 -0.133 -3.199 -0.161 467 HD1 TYR 58 1HD TYR 58 0.599 -5.796 -2.631 468 HD2 TYR 58 2HD TYR 58 -0.443 -1.665 -2.083 469 HE1 TYR 58 1HE TYR 58 -0.047 -5.642 -5.021 470 HE2 TYR 58 2HE TYR 58 -1.089 -1.510 -4.472 471 HH TYR 58 HH TYR 58 -0.197 -3.203 -6.729 472 H GLU 59 H GLU 59 3.393 -4.129 1.453 473 HA GLU 59 HA GLU 59 2.263 -2.108 3.297 474 1HB GLU 59 2HB GLU 59 3.341 -3.485 4.993 475 2HB GLU 59 1HB GLU 59 2.510 -4.532 3.853 476 1HG GLU 59 2HG GLU 59 4.501 -5.641 3.745 477 2HG GLU 59 1HG GLU 59 4.979 -4.323 2.678 478 H GLN 60 H GLN 60 5.204 -2.717 1.491 479 HA GLN 60 HA GLN 60 6.871 -0.901 3.064 480 1HB GLN 60 2HB GLN 60 8.480 -1.337 1.214 481 2HB GLN 60 1HB GLN 60 7.794 -2.826 1.856 482 1HG GLN 60 2HG GLN 60 6.429 -3.155 -0.014 483 2HG GLN 60 1HG GLN 60 6.506 -1.462 -0.496 484 1HE2 GLN 60 1HE2 GLN 60 7.356 -4.142 -1.873 485 2HE2 GLN 60 2HE2 GLN 60 8.926 -3.809 -2.423 486 H LYS 61 H LYS 61 4.684 -0.614 0.350 487 HA LYS 61 HA LYS 61 5.669 1.786 -0.853 488 1HB LYS 61 2HB LYS 61 3.956 0.270 -1.804 489 2HB LYS 61 1HB LYS 61 2.838 0.731 -0.522 490 1HG LYS 61 2HG LYS 61 2.687 2.973 -1.321 491 2HG LYS 61 1HG LYS 61 4.074 2.760 -2.391 492 1HD LYS 61 2HD LYS 61 2.759 1.040 -3.658 493 2HD LYS 61 1HD LYS 61 1.362 1.431 -2.654 494 1HE LYS 61 2HE LYS 61 1.273 3.682 -3.497 495 2HE LYS 61 1HE LYS 61 2.853 3.511 -4.288 496 1HZ LYS 61 1HZ LYS 61 0.448 1.871 -4.893 497 2HZ LYS 61 2HZ LYS 61 1.960 1.749 -5.658 498 3HZ LYS 61 3HZ LYS 61 1.018 3.149 -5.851 499 H ALA 62 H ALA 62 3.316 1.288 1.797 500 HA ALA 62 HA ALA 62 2.815 4.106 2.242 501 1HB ALA 62 1HB ALA 62 2.127 2.931 4.563 502 2HB ALA 62 2HB ALA 62 2.275 1.485 3.563 503 3HB ALA 62 3HB ALA 62 1.148 2.763 3.106 504 H ALA 63 H ALA 63 5.525 2.117 2.967 505 HA ALA 63 HA ALA 63 6.344 3.634 5.364 506 1HB ALA 63 1HB ALA 63 6.689 1.168 5.036 507 2HB ALA 63 2HB ALA 63 8.191 2.039 5.348 508 3HB ALA 63 3HB ALA 63 7.786 1.540 3.705 509 H LYS 64 H LYS 64 6.259 4.491 2.203 510 HA LYS 64 HA LYS 64 8.978 5.733 2.171 511 1HB LYS 64 2HB LYS 64 6.920 4.968 0.088 512 2HB LYS 64 1HB LYS 64 8.247 6.062 -0.294 513 1HG LYS 64 2HG LYS 64 8.620 3.300 0.896 514 2HG LYS 64 1HG LYS 64 8.741 3.654 -0.829 515 1HD LYS 64 2HD LYS 64 10.488 5.411 -0.211 516 2HD LYS 64 1HD LYS 64 10.498 4.697 1.403 517 1HE LYS 64 2HE LYS 64 11.304 2.604 0.590 518 2HE LYS 64 1HE LYS 64 10.935 3.033 -1.093 519 1HZ LYS 64 1HZ LYS 64 12.532 4.811 -0.991 520 2HZ LYS 64 2HZ LYS 64 13.300 3.365 -0.537 521 3HZ LYS 64 3HZ LYS 64 12.849 4.499 0.645 522 H LEU 65 H LEU 65 5.516 6.296 1.957 523 HA LEU 65 HA LEU 65 5.745 9.192 1.549 524 1HB LEU 65 2HB LEU 65 3.602 7.125 1.954 525 2HB LEU 65 1HB LEU 65 3.187 8.827 2.140 526 HG LEU 65 HG LEU 65 4.405 9.128 -0.148 527 1HD1 LEU 65 1HD1 LEU 65 4.032 6.988 -1.536 528 2HD1 LEU 65 2HD1 LEU 65 3.942 6.146 0.012 529 3HD1 LEU 65 3HD1 LEU 65 5.416 7.001 -0.444 530 1HD2 LEU 65 1HD2 LEU 65 1.728 7.739 0.175 531 2HD2 LEU 65 2HD2 LEU 65 2.277 8.457 -1.340 532 3HD2 LEU 65 3HD2 LEU 65 2.021 9.476 0.077 533 H LYS 66 H LYS 66 6.194 7.174 4.227 534 HA LYS 66 HA LYS 66 4.910 8.850 6.254 535 1HB LYS 66 2HB LYS 66 5.191 6.406 6.482 536 2HB LYS 66 1HB LYS 66 6.941 6.590 6.373 537 1HG LYS 66 2HG LYS 66 6.762 6.590 8.661 538 2HG LYS 66 1HG LYS 66 6.463 8.308 8.391 539 1HD LYS 66 2HD LYS 66 4.697 7.569 9.818 540 2HD LYS 66 1HD LYS 66 3.983 7.702 8.211 541 1HE LYS 66 2HE LYS 66 4.647 5.180 7.969 542 2HE LYS 66 1HE LYS 66 4.726 5.214 9.743 543 1HZ LYS 66 1HZ LYS 66 2.514 6.230 9.763 544 2HZ LYS 66 2HZ LYS 66 2.484 4.698 9.028 545 3HZ LYS 66 3HZ LYS 66 2.431 6.103 8.074 546 H GLU 67 H GLU 67 8.108 8.478 4.782 547 HA GLU 67 HA GLU 67 9.563 10.067 6.721 548 1HB GLU 67 2HB GLU 67 9.938 8.873 4.031 549 2HB GLU 67 1HB GLU 67 10.952 10.277 4.373 550 1HG GLU 67 2HG GLU 67 12.028 9.230 6.162 551 2HG GLU 67 1HG GLU 67 10.706 8.092 6.422 552 H LYS 68 H LYS 68 8.662 10.881 3.351 553 HA LYS 68 HA LYS 68 9.155 13.655 3.467 554 1HB LYS 68 2HB LYS 68 7.504 11.775 1.852 555 2HB LYS 68 1HB LYS 68 7.141 13.492 1.677 556 1HG LYS 68 2HG LYS 68 8.818 13.373 0.119 557 2HG LYS 68 1HG LYS 68 9.833 13.604 1.543 558 1HD LYS 68 2HD LYS 68 10.761 11.726 0.404 559 2HD LYS 68 1HD LYS 68 9.857 11.053 1.761 560 1HE LYS 68 2HE LYS 68 7.878 10.809 0.145 561 2HE LYS 68 1HE LYS 68 9.041 11.134 -1.156 562 1HZ LYS 68 1HZ LYS 68 8.902 8.757 -0.683 563 2HZ LYS 68 2HZ LYS 68 9.329 9.040 0.936 564 3HZ LYS 68 3HZ LYS 68 10.442 9.359 -0.306 565 H TYR 69 H TYR 69 6.447 11.845 4.763 566 HA TYR 69 HA TYR 69 4.666 14.151 5.029 567 1HB TYR 69 2HB TYR 69 3.856 11.848 4.751 568 2HB TYR 69 1HB TYR 69 4.680 11.358 6.229 569 HD1 TYR 69 1HD TYR 69 2.535 14.312 5.328 570 HD2 TYR 69 2HD TYR 69 3.140 10.948 7.928 571 HE1 TYR 69 1HE TYR 69 0.555 14.986 6.659 572 HE2 TYR 69 2HE TYR 69 1.160 11.623 9.261 573 HH TYR 69 HH TYR 69 -1.055 13.061 8.660 574 H GLU 70 H GLU 70 5.974 12.018 7.583 575 HA GLU 70 HA GLU 70 5.652 13.905 9.703 576 1HB GLU 70 2HB GLU 70 7.415 11.472 9.325 577 2HB GLU 70 1HB GLU 70 7.216 12.293 10.875 578 1HG GLU 70 2HG GLU 70 4.713 11.976 10.602 579 2HG GLU 70 1HG GLU 70 5.073 10.926 9.231 580 H LYS 71 H LYS 71 8.077 13.798 7.233 581 HA LYS 71 HA LYS 71 10.048 15.286 8.893 582 1HB LYS 71 2HB LYS 71 10.495 13.292 7.300 583 2HB LYS 71 1HB LYS 71 10.295 14.465 6.000 584 1HG LYS 71 2HG LYS 71 12.170 15.714 6.668 585 2HG LYS 71 1HG LYS 71 12.157 15.036 8.297 586 1HD LYS 71 2HD LYS 71 12.807 12.836 7.393 587 2HD LYS 71 1HD LYS 71 12.817 13.507 5.762 588 1HE LYS 71 2HE LYS 71 14.837 14.532 6.070 589 2HE LYS 71 1HE LYS 71 14.445 15.009 7.734 590 1HZ LYS 71 1HZ LYS 71 15.083 12.245 6.844 591 2HZ LYS 71 2HZ LYS 71 14.720 12.722 8.434 592 3HZ LYS 71 3HZ LYS 71 16.145 13.268 7.683 593 H ASP 72 H ASP 72 7.768 15.759 6.255 594 HA ASP 72 HA ASP 72 8.798 18.529 5.807 595 1HB ASP 72 2HB ASP 72 8.401 16.747 3.981 596 2HB ASP 72 1HB ASP 72 6.684 17.056 4.235 597 H ILE 73 H ILE 73 6.041 16.754 7.068 598 HA ILE 73 HA ILE 73 4.116 18.900 6.926 599 HB ILE 73 HB ILE 73 3.728 16.403 7.217 600 1HG1 ILE 73 2HG1 ILE 73 1.916 16.895 9.098 601 2HG1 ILE 73 1HG1 ILE 73 2.420 18.564 8.817 602 1HG2 ILE 73 1HG2 ILE 73 3.906 15.396 9.369 603 2HG2 ILE 73 2HG2 ILE 73 4.201 16.947 10.154 604 3HG2 ILE 73 3HG2 ILE 73 5.438 16.233 9.119 605 1HD1 ILE 73 1HD1 ILE 73 1.617 16.676 6.588 606 2HD1 ILE 73 2HD1 ILE 73 1.875 18.417 6.477 607 3HD1 ILE 73 3HD1 ILE 73 0.490 17.787 7.368 608 H ALA 74 H ALA 74 6.621 18.045 9.249 609 HA ALA 74 HA ALA 74 5.748 19.617 11.477 610 1HB ALA 74 1HB ALA 74 8.096 19.390 12.170 611 2HB ALA 74 2HB ALA 74 8.559 18.965 10.522 612 3HB ALA 74 3HB ALA 74 7.540 17.875 11.460 613 H ALA 75 H ALA 75 7.941 20.408 8.767 614 HA ALA 75 HA ALA 75 8.200 23.210 9.601 615 1HB ALA 75 1HB ALA 75 8.986 21.815 7.023 616 2HB ALA 75 2HB ALA 75 9.968 21.801 8.488 617 3HB ALA 75 3HB ALA 75 9.652 23.322 7.652 618 H TYR 76 H TYR 76 6.062 21.359 7.560 619 HA TYR 76 HA TYR 76 5.233 23.433 5.743 620 1HB TYR 76 2HB TYR 76 4.876 20.968 5.497 621 2HB TYR 76 1HB TYR 76 3.710 21.034 6.819 622 HD1 TYR 76 1HD TYR 76 4.463 22.500 3.461 623 HD2 TYR 76 2HD TYR 76 1.462 21.600 6.400 624 HE1 TYR 76 1HE TYR 76 2.693 23.185 1.863 625 HE2 TYR 76 2HE TYR 76 -0.308 22.285 4.803 626 HH TYR 76 HH TYR 76 -0.591 22.489 2.350 627 H ARG 77 H ARG 77 4.159 22.468 8.985 628 HA ARG 77 HA ARG 77 2.072 24.601 8.961 629 1HB ARG 77 2HB ARG 77 2.708 22.223 10.724 630 2HB ARG 77 1HB ARG 77 1.452 23.395 11.126 631 1HG ARG 77 2HG ARG 77 0.218 22.887 9.131 632 2HG ARG 77 1HG ARG 77 1.550 21.932 8.479 633 1HD ARG 77 2HD ARG 77 1.218 20.182 10.059 634 2HD ARG 77 1HD ARG 77 0.186 21.201 11.083 635 HE ARG 77 HE ARG 77 -0.703 20.692 8.294 636 1HH1 ARG 77 1HH1 ARG 77 -2.423 21.891 10.485 637 2HH1 ARG 77 2HH1 ARG 77 -3.409 20.537 10.926 638 1HH2 ARG 77 1HH2 ARG 77 -1.364 18.204 9.377 639 2HH2 ARG 77 2HH2 ARG 77 -2.810 18.450 10.299 640 H ALA 78 H ALA 78 5.274 24.626 9.559 641 HA ALA 78 HA ALA 78 6.700 25.884 10.955 642 1HB ALA 78 1HB ALA 78 5.888 28.081 11.331 643 2HB ALA 78 2HB ALA 78 4.226 27.524 11.517 644 3HB ALA 78 3HB ALA 78 4.982 27.525 9.924 645 H LYS 79 H LYS 79 6.753 24.048 12.526 646 HA LYS 79 HA LYS 79 5.307 24.709 15.072 647 1HB LYS 79 2HB LYS 79 5.588 22.270 13.455 648 2HB LYS 79 1HB LYS 79 5.932 22.017 15.165 649 1HG LYS 79 2HG LYS 79 3.764 23.150 15.712 650 2HG LYS 79 1HG LYS 79 3.412 23.221 13.985 651 1HD LYS 79 2HD LYS 79 3.376 20.831 13.803 652 2HD LYS 79 1HD LYS 79 4.046 20.635 15.423 653 1HE LYS 79 2HE LYS 79 1.468 22.148 15.124 654 2HE LYS 79 1HE LYS 79 1.436 20.374 15.043 655 1HZ LYS 79 1HZ LYS 79 2.706 21.992 17.190 656 2HZ LYS 79 2HZ LYS 79 2.719 20.296 17.096 657 3HZ LYS 79 3HZ LYS 79 1.255 21.125 17.336 Start of MODEL 16 1 1H MET 1 1HT MET 1 -15.577 16.370 1.424 2 2H MET 1 2HT MET 1 -16.121 15.028 0.534 3 3H MET 1 3HT MET 1 -16.695 16.584 0.167 4 HA MET 1 HA MET 1 -15.094 16.084 -1.493 5 1HB MET 1 2HB MET 1 -15.147 18.306 -0.159 6 2HB MET 1 1HB MET 1 -13.666 17.725 0.603 7 1HG MET 1 2HG MET 1 -12.469 17.738 -1.422 8 2HG MET 1 1HG MET 1 -13.939 17.739 -2.396 9 1HE MET 1 1HE MET 1 -13.429 21.128 -3.630 10 2HE MET 1 2HE MET 1 -14.047 19.491 -3.832 11 3HE MET 1 3HE MET 1 -12.314 19.755 -3.667 12 H LYS 2 H LYS 2 -13.783 15.568 1.788 13 HA LYS 2 HA LYS 2 -12.019 14.195 2.556 14 1HB LYS 2 2HB LYS 2 -13.460 12.812 0.371 15 2HB LYS 2 1HB LYS 2 -11.883 12.134 0.780 16 1HG LYS 2 2HG LYS 2 -12.979 12.610 3.272 17 2HG LYS 2 1HG LYS 2 -14.385 12.125 2.328 18 1HD LYS 2 2HD LYS 2 -12.797 10.206 1.480 19 2HD LYS 2 1HD LYS 2 -11.898 10.573 2.953 20 1HE LYS 2 2HE LYS 2 -14.806 10.364 3.380 21 2HE LYS 2 1HE LYS 2 -14.048 8.862 2.817 22 1HZ LYS 2 1HZ LYS 2 -12.341 9.121 4.506 23 2HZ LYS 2 2HZ LYS 2 -13.877 9.072 5.229 24 3HZ LYS 2 3HZ LYS 2 -13.064 10.553 5.055 25 H LYS 3 H LYS 3 -10.047 12.762 1.343 26 HA LYS 3 HA LYS 3 -7.929 13.020 0.337 27 1HB LYS 3 2HB LYS 3 -10.032 13.562 -1.524 28 2HB LYS 3 1HB LYS 3 -8.702 14.658 -1.890 29 1HG LYS 3 2HG LYS 3 -8.104 11.764 -1.365 30 2HG LYS 3 1HG LYS 3 -8.746 12.235 -2.938 31 1HD LYS 3 2HD LYS 3 -6.919 13.950 -3.101 32 2HD LYS 3 1HD LYS 3 -6.232 13.290 -1.616 33 1HE LYS 3 2HE LYS 3 -5.796 11.168 -2.647 34 2HE LYS 3 1HE LYS 3 -6.776 11.585 -4.067 35 1HZ LYS 3 1HZ LYS 3 -5.268 13.445 -4.494 36 2HZ LYS 3 2HZ LYS 3 -4.441 11.961 -4.533 37 3HZ LYS 3 3HZ LYS 3 -4.304 12.978 -3.179 38 H LYS 4 H LYS 4 -6.800 15.136 -1.100 39 HA LYS 4 HA LYS 4 -7.256 17.701 0.153 40 1HB LYS 4 2HB LYS 4 -5.833 15.788 1.627 41 2HB LYS 4 1HB LYS 4 -4.581 16.824 0.945 42 1HG LYS 4 2HG LYS 4 -5.701 18.810 1.851 43 2HG LYS 4 1HG LYS 4 -7.001 17.804 2.490 44 1HD LYS 4 2HD LYS 4 -5.321 16.579 3.872 45 2HD LYS 4 1HD LYS 4 -4.081 17.694 3.298 46 1HE LYS 4 2HE LYS 4 -5.009 19.523 4.453 47 2HE LYS 4 1HE LYS 4 -6.600 18.749 4.586 48 1HZ LYS 4 1HZ LYS 4 -4.101 17.786 5.878 49 2HZ LYS 4 2HZ LYS 4 -5.629 17.051 5.998 50 3HZ LYS 4 3HZ LYS 4 -5.367 18.588 6.673 51 H ASP 5 H ASP 5 -4.508 18.583 -0.073 52 HA ASP 5 HA ASP 5 -4.360 19.224 -2.862 53 1HB ASP 5 2HB ASP 5 -2.687 19.489 -0.409 54 2HB ASP 5 1HB ASP 5 -1.876 19.732 -1.957 55 HA PRO 6 HA PRO 6 -2.301 15.651 -4.454 56 1HB PRO 6 2HB PRO 6 -0.965 16.731 -6.582 57 2HB PRO 6 1HB PRO 6 -2.720 16.471 -6.577 58 1HG PRO 6 2HG PRO 6 -1.178 18.974 -6.146 59 2HG PRO 6 1HG PRO 6 -2.715 18.724 -6.987 60 1HD PRO 6 2HD PRO 6 -2.504 19.739 -4.453 61 2HD PRO 6 1HD PRO 6 -3.937 18.887 -5.067 62 H ASN 7 H ASN 7 -0.252 18.581 -4.294 63 HA ASN 7 HA ASN 7 2.225 17.059 -4.033 64 1HB ASN 7 2HB ASN 7 1.458 19.971 -3.675 65 2HB ASN 7 1HB ASN 7 3.121 19.388 -3.614 66 1HD2 ASN 7 1HD2 ASN 7 4.047 19.993 -5.589 67 2HD2 ASN 7 2HD2 ASN 7 3.345 19.713 -7.109 68 H ALA 8 H ALA 8 -0.161 18.326 -1.801 69 HA ALA 8 HA ALA 8 1.591 18.315 0.543 70 1HB ALA 8 1HB ALA 8 -1.433 18.191 0.461 71 2HB ALA 8 2HB ALA 8 -0.556 19.673 0.082 72 3HB ALA 8 3HB ALA 8 -0.411 18.948 1.683 73 HA PRO 9 HA PRO 9 1.259 13.944 1.217 74 1HB PRO 9 2HB PRO 9 1.891 13.827 3.877 75 2HB PRO 9 1HB PRO 9 3.099 14.100 2.607 76 1HG PRO 9 2HG PRO 9 1.794 16.053 4.431 77 2HG PRO 9 1HG PRO 9 3.470 15.983 3.862 78 1HD PRO 9 2HD PRO 9 1.603 17.689 2.835 79 2HD PRO 9 1HD PRO 9 2.987 17.074 1.904 80 H LYS 10 H LYS 10 -0.977 13.543 0.994 81 HA LYS 10 HA LYS 10 -2.999 14.383 2.846 82 1HB LYS 10 2HB LYS 10 -4.369 12.742 1.585 83 2HB LYS 10 1HB LYS 10 -3.382 13.711 0.495 84 1HG LYS 10 2HG LYS 10 -1.674 11.652 1.010 85 2HG LYS 10 1HG LYS 10 -3.224 10.819 1.112 86 1HD LYS 10 2HD LYS 10 -3.835 11.480 -1.104 87 2HD LYS 10 1HD LYS 10 -2.503 12.633 -1.199 88 1HE LYS 10 2HE LYS 10 -1.866 9.737 -0.701 89 2HE LYS 10 1HE LYS 10 -2.251 10.268 -2.350 90 1HZ LYS 10 1HZ LYS 10 0.118 10.528 -1.872 91 2HZ LYS 10 2HZ LYS 10 -0.249 11.537 -0.556 92 3HZ LYS 10 3HZ LYS 10 -0.620 12.031 -2.138 93 H ARG 11 H ARG 11 -4.320 11.829 3.319 94 HA ARG 11 HA ARG 11 -3.334 11.100 5.866 95 1HB ARG 11 2HB ARG 11 -5.194 10.034 3.812 96 2HB ARG 11 1HB ARG 11 -4.634 8.860 5.004 97 1HG ARG 11 2HG ARG 11 -6.573 9.801 5.986 98 2HG ARG 11 1HG ARG 11 -5.237 10.647 6.770 99 1HD ARG 11 2HD ARG 11 -5.491 12.448 4.966 100 2HD ARG 11 1HD ARG 11 -7.029 11.667 4.550 101 HE ARG 11 HE ARG 11 -7.813 12.126 6.830 102 1HH1 ARG 11 1HH1 ARG 11 -5.311 12.254 8.356 103 2HH1 ARG 11 2HH1 ARG 11 -5.060 13.956 8.567 104 1HH2 ARG 11 1HH2 ARG 11 -7.269 14.862 6.053 105 2HH2 ARG 11 2HH2 ARG 11 -6.168 15.432 7.263 106 HA PRO 12 HA PRO 12 0.180 8.627 4.822 107 1HB PRO 12 2HB PRO 12 0.424 7.148 7.109 108 2HB PRO 12 1HB PRO 12 0.884 8.859 7.007 109 1HG PRO 12 2HG PRO 12 -1.562 7.622 8.153 110 2HG PRO 12 1HG PRO 12 -0.631 9.018 8.708 111 1HD PRO 12 2HD PRO 12 -2.991 9.203 7.334 112 2HD PRO 12 1HD PRO 12 -1.742 10.467 7.344 113 HA PRO 13 HA PRO 13 -2.020 4.916 3.556 114 1HB PRO 13 2HB PRO 13 -0.197 4.043 1.718 115 2HB PRO 13 1HB PRO 13 -1.335 5.363 1.393 116 1HG PRO 13 2HG PRO 13 1.555 5.467 1.953 117 2HG PRO 13 1HG PRO 13 0.540 6.577 1.026 118 1HD PRO 13 2HD PRO 13 1.477 6.952 3.650 119 2HD PRO 13 1HD PRO 13 0.243 7.920 2.820 120 H SER 14 H SER 14 -1.313 2.486 3.383 121 HA SER 14 HA SER 14 1.131 1.651 4.710 122 1HB SER 14 2HB SER 14 -0.132 2.680 6.586 123 2HB SER 14 1HB SER 14 -1.467 1.574 6.280 124 HG SER 14 HG SER 14 0.769 1.173 7.692 125 H ALA 15 H ALA 15 0.443 0.546 2.416 126 HA ALA 15 HA ALA 15 0.098 -1.507 1.392 127 1HB ALA 15 1HB ALA 15 -0.898 -3.007 3.687 128 2HB ALA 15 2HB ALA 15 0.568 -2.115 4.091 129 3HB ALA 15 3HB ALA 15 0.574 -3.256 2.747 130 H PHE 16 H PHE 16 -2.405 -1.727 3.967 131 HA PHE 16 HA PHE 16 -4.521 -2.645 2.435 132 1HB PHE 16 2HB PHE 16 -4.332 -2.159 4.932 133 2HB PHE 16 1HB PHE 16 -4.775 -0.495 4.547 134 HD1 PHE 16 1HD PHE 16 -7.020 -0.022 4.919 135 HD2 PHE 16 2HD PHE 16 -5.917 -3.900 3.438 136 HE1 PHE 16 1HE PHE 16 -9.414 -0.667 4.825 137 HE2 PHE 16 2HE PHE 16 -8.311 -4.545 3.345 138 HZ PHE 16 HZ PHE 16 -10.057 -2.929 4.036 139 H PHE 17 H PHE 17 -3.864 0.834 3.038 140 HA PHE 17 HA PHE 17 -5.916 1.889 1.370 141 1HB PHE 17 2HB PHE 17 -4.251 2.967 3.083 142 2HB PHE 17 1HB PHE 17 -3.198 3.159 1.681 143 HD1 PHE 17 1HD PHE 17 -3.726 4.715 -0.092 144 HD2 PHE 17 2HD PHE 17 -6.453 4.096 3.169 145 HE1 PHE 17 1HE PHE 17 -5.013 6.718 -0.789 146 HE2 PHE 17 2HE PHE 17 -7.740 6.098 2.472 147 HZ PHE 17 HZ PHE 17 -7.020 7.408 0.493 148 H LEU 18 H LEU 18 -2.574 0.915 0.611 149 HA LEU 18 HA LEU 18 -2.520 1.826 -2.108 150 1HB LEU 18 2HB LEU 18 -1.106 -0.544 -0.832 151 2HB LEU 18 1HB LEU 18 -0.586 0.324 -2.271 152 HG LEU 18 HG LEU 18 -0.717 1.423 0.558 153 1HD1 LEU 18 1HD1 LEU 18 1.808 1.805 -0.255 154 2HD1 LEU 18 2HD1 LEU 18 1.420 0.396 -1.243 155 3HD1 LEU 18 3HD1 LEU 18 1.286 0.307 0.514 156 1HD2 LEU 18 1HD2 LEU 18 0.319 3.467 -0.485 157 2HD2 LEU 18 2HD2 LEU 18 -1.346 3.194 -1.002 158 3HD2 LEU 18 3HD2 LEU 18 -0.009 2.772 -2.073 159 H PHE 19 H PHE 19 -3.418 -1.304 -0.650 160 HA PHE 19 HA PHE 19 -3.959 -2.667 -3.137 161 1HB PHE 19 2HB PHE 19 -3.486 -3.724 -0.927 162 2HB PHE 19 1HB PHE 19 -5.032 -3.121 -0.331 163 HD1 PHE 19 1HD PHE 19 -3.467 -5.320 -2.897 164 HD2 PHE 19 2HD PHE 19 -7.066 -4.255 -0.808 165 HE1 PHE 19 1HE PHE 19 -4.610 -7.299 -3.859 166 HE2 PHE 19 2HE PHE 19 -8.209 -6.234 -1.772 167 HZ PHE 19 HZ PHE 19 -6.982 -7.756 -3.297 168 H CYS 20 H CYS 20 -6.151 -1.207 -0.706 169 HA CYS 20 HA CYS 20 -8.613 -1.634 -2.032 170 1HB CYS 20 2HB CYS 20 -7.476 0.223 -0.006 171 2HB CYS 20 1HB CYS 20 -8.994 0.729 -0.746 172 HG CYS 20 HG CYS 20 -9.329 -0.902 1.405 173 H SER 21 H SER 21 -6.637 1.359 -2.115 174 HA SER 21 HA SER 21 -8.139 2.779 -4.048 175 1HB SER 21 2HB SER 21 -6.024 4.036 -4.345 176 2HB SER 21 1HB SER 21 -6.327 3.692 -2.644 177 HG SER 21 HG SER 21 -4.211 3.150 -3.112 178 H GLU 22 H GLU 22 -5.738 0.221 -4.491 179 HA GLU 22 HA GLU 22 -5.610 0.611 -7.408 180 1HB GLU 22 2HB GLU 22 -4.332 -1.066 -5.308 181 2HB GLU 22 1HB GLU 22 -4.278 -1.659 -6.965 182 1HG GLU 22 2HG GLU 22 -3.406 1.119 -6.122 183 2HG GLU 22 1HG GLU 22 -2.303 -0.237 -6.357 184 H TYR 23 H TYR 23 -7.290 -1.462 -5.106 185 HA TYR 23 HA TYR 23 -8.268 -3.225 -7.298 186 1HB TYR 23 2HB TYR 23 -8.012 -3.309 -4.330 187 2HB TYR 23 1HB TYR 23 -9.322 -4.244 -5.046 188 HD1 TYR 23 1HD TYR 23 -5.644 -3.623 -5.309 189 HD2 TYR 23 2HD TYR 23 -8.896 -6.327 -6.060 190 HE1 TYR 23 1HE TYR 23 -4.029 -5.379 -5.987 191 HE2 TYR 23 2HE TYR 23 -7.282 -8.083 -6.737 192 HH TYR 23 HH TYR 23 -4.944 -8.184 -7.622 193 H ARG 24 H ARG 24 -9.228 -0.290 -6.442 194 HA ARG 24 HA ARG 24 -12.054 -0.806 -5.845 195 1HB ARG 24 2HB ARG 24 -10.183 1.497 -5.973 196 2HB ARG 24 1HB ARG 24 -11.890 1.831 -6.266 197 1HG ARG 24 2HG ARG 24 -12.535 0.918 -4.151 198 2HG ARG 24 1HG ARG 24 -10.929 0.242 -3.881 199 1HD ARG 24 2HD ARG 24 -10.634 2.169 -2.654 200 2HD ARG 24 1HD ARG 24 -10.311 2.883 -4.246 201 HE ARG 24 HE ARG 24 -13.128 2.857 -3.885 202 1HH1 ARG 24 1HH1 ARG 24 -11.347 5.262 -4.511 203 2HH1 ARG 24 2HH1 ARG 24 -11.680 6.281 -3.151 204 1HH2 ARG 24 1HH2 ARG 24 -13.112 3.747 -1.267 205 2HH2 ARG 24 2HH2 ARG 24 -12.679 5.423 -1.314 206 HA PRO 25 HA PRO 25 -12.497 1.208 -10.214 207 1HB PRO 25 2HB PRO 25 -10.415 0.870 -11.961 208 2HB PRO 25 1HB PRO 25 -10.633 2.317 -10.958 209 1HG PRO 25 2HG PRO 25 -8.849 -0.025 -10.539 210 2HG PRO 25 1HG PRO 25 -8.540 1.696 -10.256 211 1HD PRO 25 2HD PRO 25 -9.114 -0.031 -8.283 212 2HD PRO 25 1HD PRO 25 -9.574 1.681 -8.200 213 H LYS 26 H LYS 26 -10.924 -1.788 -9.477 214 HA LYS 26 HA LYS 26 -11.698 -3.273 -11.855 215 1HB LYS 26 2HB LYS 26 -9.915 -3.811 -10.090 216 2HB LYS 26 1HB LYS 26 -11.250 -4.262 -9.025 217 1HG LYS 26 2HG LYS 26 -11.116 -5.442 -11.782 218 2HG LYS 26 1HG LYS 26 -10.081 -6.100 -10.514 219 1HD LYS 26 2HD LYS 26 -12.232 -6.198 -9.081 220 2HD LYS 26 1HD LYS 26 -13.095 -5.991 -10.606 221 1HE LYS 26 2HE LYS 26 -10.966 -8.117 -10.339 222 2HE LYS 26 1HE LYS 26 -12.633 -8.426 -9.813 223 1HZ LYS 26 1HZ LYS 26 -13.430 -7.717 -11.968 224 2HZ LYS 26 2HZ LYS 26 -12.310 -8.979 -12.165 225 3HZ LYS 26 3HZ LYS 26 -11.850 -7.374 -12.481 226 H ILE 27 H ILE 27 -12.966 -3.002 -8.539 227 HA ILE 27 HA ILE 27 -15.276 -4.609 -8.728 228 HB ILE 27 HB ILE 27 -14.978 -1.959 -7.271 229 1HG1 ILE 27 2HG1 ILE 27 -13.040 -3.224 -6.637 230 2HG1 ILE 27 1HG1 ILE 27 -14.199 -3.405 -5.334 231 1HG2 ILE 27 1HG2 ILE 27 -16.458 -3.117 -5.599 232 2HG2 ILE 27 2HG2 ILE 27 -16.664 -4.416 -6.774 233 3HG2 ILE 27 3HG2 ILE 27 -17.222 -2.787 -7.153 234 1HD1 ILE 27 1HD1 ILE 27 -13.433 -5.408 -7.445 235 2HD1 ILE 27 2HD1 ILE 27 -14.944 -5.555 -6.546 236 3HD1 ILE 27 3HD1 ILE 27 -13.401 -5.589 -5.692 237 H LYS 28 H LYS 28 -14.740 -1.274 -9.728 238 HA LYS 28 HA LYS 28 -17.513 -0.627 -10.183 239 1HB LYS 28 2HB LYS 28 -15.313 0.742 -11.705 240 2HB LYS 28 1HB LYS 28 -16.725 1.434 -10.923 241 1HG LYS 28 2HG LYS 28 -14.130 0.570 -9.683 242 2HG LYS 28 1HG LYS 28 -14.858 2.158 -9.648 243 1HD LYS 28 2HD LYS 28 -15.812 -0.310 -8.154 244 2HD LYS 28 1HD LYS 28 -15.084 1.134 -7.461 245 1HE LYS 28 2HE LYS 28 -17.646 1.257 -9.084 246 2HE LYS 28 1HE LYS 28 -17.639 1.035 -7.322 247 1HZ LYS 28 1HZ LYS 28 -16.150 2.995 -7.188 248 2HZ LYS 28 2HZ LYS 28 -17.702 3.369 -7.770 249 3HZ LYS 28 3HZ LYS 28 -16.391 3.259 -8.846 250 H SER 29 H SER 29 -14.935 -1.845 -12.303 251 HA SER 29 HA SER 29 -16.276 -1.609 -14.801 252 1HB SER 29 2HB SER 29 -13.870 -2.173 -14.378 253 2HB SER 29 1HB SER 29 -14.375 -3.778 -13.853 254 HG SER 29 HG SER 29 -14.308 -2.643 -16.394 255 H GLU 30 H GLU 30 -16.767 -3.868 -12.170 256 HA GLU 30 HA GLU 30 -18.643 -5.454 -13.895 257 1HB GLU 30 2HB GLU 30 -16.560 -6.092 -11.917 258 2HB GLU 30 1HB GLU 30 -18.069 -6.956 -11.641 259 1HG GLU 30 2HG GLU 30 -16.830 -6.819 -14.388 260 2HG GLU 30 1HG GLU 30 -16.343 -8.053 -13.225 261 H HIS 31 H HIS 31 -18.339 -3.514 -11.011 262 HA HIS 31 HA HIS 31 -21.189 -4.155 -10.313 263 1HB HIS 31 2HB HIS 31 -18.968 -3.214 -8.467 264 2HB HIS 31 1HB HIS 31 -20.575 -3.748 -7.994 265 HD1 HIS 31 1HD HIS 31 -17.216 -5.002 -8.959 266 HD2 HIS 31 2HD HIS 31 -20.996 -6.604 -8.246 267 HE1 HIS 31 1HE HIS 31 -16.900 -7.501 -8.741 268 HA PRO 32 HA PRO 32 -21.097 0.269 -11.438 269 1HB PRO 32 2HB PRO 32 -23.685 0.385 -12.314 270 2HB PRO 32 1HB PRO 32 -22.341 -0.157 -13.331 271 1HG PRO 32 2HG PRO 32 -24.417 -1.750 -11.948 272 2HG PRO 32 1HG PRO 32 -23.608 -2.043 -13.493 273 1HD PRO 32 2HD PRO 32 -23.004 -3.327 -11.129 274 2HD PRO 32 1HD PRO 32 -21.913 -3.194 -12.524 275 H GLY 33 H GLY 33 -23.416 -1.585 -9.555 276 1HA GLY 33 2HA GLY 33 -24.525 0.787 -8.233 277 2HA GLY 33 1HA GLY 33 -24.931 -0.888 -7.879 278 H LEU 34 H LEU 34 -21.776 -1.228 -7.785 279 HA LEU 34 HA LEU 34 -21.504 -1.296 -4.949 280 1HB LEU 34 2HB LEU 34 -19.968 -1.829 -7.334 281 2HB LEU 34 1HB LEU 34 -18.949 -0.985 -6.177 282 HG LEU 34 HG LEU 34 -18.861 -3.461 -5.908 283 1HD1 LEU 34 1HD1 LEU 34 -18.262 -2.562 -3.899 284 2HD1 LEU 34 2HD1 LEU 34 -19.790 -3.272 -3.376 285 3HD1 LEU 34 3HD1 LEU 34 -19.710 -1.561 -3.796 286 1HD2 LEU 34 1HD2 LEU 34 -21.597 -3.353 -6.330 287 2HD2 LEU 34 2HD2 LEU 34 -21.490 -3.630 -4.593 288 3HD2 LEU 34 3HD2 LEU 34 -20.720 -4.753 -5.714 289 H SER 35 H SER 35 -22.297 0.886 -4.322 290 HA SER 35 HA SER 35 -20.811 3.287 -5.048 291 1HB SER 35 2HB SER 35 -23.164 3.340 -4.398 292 2HB SER 35 1HB SER 35 -22.785 2.611 -2.840 293 HG SER 35 HG SER 35 -22.183 4.497 -2.131 294 H ILE 36 H ILE 36 -19.799 4.644 -3.179 295 HA ILE 36 HA ILE 36 -17.503 3.408 -2.119 296 HB ILE 36 HB ILE 36 -19.116 5.776 -1.111 297 1HG1 ILE 36 2HG1 ILE 36 -18.373 5.977 -3.459 298 2HG1 ILE 36 1HG1 ILE 36 -17.485 7.095 -2.428 299 1HG2 ILE 36 1HG2 ILE 36 -16.313 4.828 -0.467 300 2HG2 ILE 36 2HG2 ILE 36 -17.627 5.170 0.660 301 3HG2 ILE 36 3HG2 ILE 36 -16.836 6.492 -0.199 302 1HD1 ILE 36 1HD1 ILE 36 -15.657 5.337 -2.278 303 2HD1 ILE 36 2HD1 ILE 36 -15.870 6.056 -3.873 304 3HD1 ILE 36 3HD1 ILE 36 -16.514 4.448 -3.538 305 H GLY 37 H GLY 37 -20.773 3.470 -0.831 306 1HA GLY 37 2HA GLY 37 -20.209 2.746 1.870 307 2HA GLY 37 1HA GLY 37 -21.721 2.398 1.028 308 H ASP 38 H ASP 38 -21.572 0.522 -0.569 309 HA ASP 38 HA ASP 38 -20.647 -1.847 0.787 310 1HB ASP 38 2HB ASP 38 -22.565 -1.479 -0.901 311 2HB ASP 38 1HB ASP 38 -21.322 -1.591 -2.149 312 H THR 39 H THR 39 -19.172 0.264 -1.596 313 HA THR 39 HA THR 39 -17.161 -1.576 -2.564 314 HB THR 39 HB THR 39 -17.304 1.454 -2.424 315 HG1 THR 39 1HG THR 39 -18.086 1.255 -4.481 316 1HG2 THR 39 1HG2 THR 39 -15.640 1.309 -4.331 317 2HG2 THR 39 2HG2 THR 39 -15.421 -0.391 -3.915 318 3HG2 THR 39 3HG2 THR 39 -14.993 0.864 -2.751 319 H ALA 40 H ALA 40 -17.415 0.510 0.255 320 HA ALA 40 HA ALA 40 -14.595 0.398 0.981 321 1HB ALA 40 1HB ALA 40 -15.459 1.387 3.083 322 2HB ALA 40 2HB ALA 40 -17.105 1.000 2.584 323 3HB ALA 40 3HB ALA 40 -16.166 2.184 1.676 324 H LYS 41 H LYS 41 -17.541 -1.268 2.128 325 HA LYS 41 HA LYS 41 -16.019 -3.042 3.887 326 1HB LYS 41 2HB LYS 41 -18.241 -3.939 4.397 327 2HB LYS 41 1HB LYS 41 -18.292 -2.179 4.387 328 1HG LYS 41 2HG LYS 41 -18.976 -2.506 1.859 329 2HG LYS 41 1HG LYS 41 -19.425 -4.121 2.396 330 1HD LYS 41 2HD LYS 41 -21.361 -2.637 2.563 331 2HD LYS 41 1HD LYS 41 -20.837 -3.116 4.177 332 1HE LYS 41 2HE LYS 41 -19.376 -0.750 3.504 333 2HE LYS 41 1HE LYS 41 -21.084 -0.455 3.116 334 1HZ LYS 41 1HZ LYS 41 -20.688 -0.009 5.446 335 2HZ LYS 41 2HZ LYS 41 -20.032 -1.560 5.668 336 3HZ LYS 41 3HZ LYS 41 -21.678 -1.378 5.289 337 H LYS 42 H LYS 42 -16.880 -3.116 0.528 338 HA LYS 42 HA LYS 42 -17.025 -6.019 0.257 339 1HB LYS 42 2HB LYS 42 -18.129 -4.477 -1.303 340 2HB LYS 42 1HB LYS 42 -16.580 -3.746 -1.713 341 1HG LYS 42 2HG LYS 42 -17.295 -5.356 -3.439 342 2HG LYS 42 1HG LYS 42 -15.811 -5.895 -2.649 343 1HD LYS 42 2HD LYS 42 -16.821 -7.706 -1.698 344 2HD LYS 42 1HD LYS 42 -18.311 -6.824 -1.366 345 1HE LYS 42 2HE LYS 42 -19.279 -7.498 -3.316 346 2HE LYS 42 1HE LYS 42 -17.782 -7.271 -4.242 347 1HZ LYS 42 1HZ LYS 42 -18.364 -9.633 -4.002 348 2HZ LYS 42 2HZ LYS 42 -18.276 -9.478 -2.312 349 3HZ LYS 42 3HZ LYS 42 -16.882 -9.268 -3.263 350 H LEU 43 H LEU 43 -14.593 -3.623 -0.853 351 HA LEU 43 HA LEU 43 -12.542 -5.317 -1.680 352 1HB LEU 43 2HB LEU 43 -12.494 -2.679 -0.192 353 2HB LEU 43 1HB LEU 43 -11.059 -3.386 -0.935 354 HG LEU 43 HG LEU 43 -13.597 -2.991 -2.516 355 1HD1 LEU 43 1HD1 LEU 43 -12.793 -0.823 -1.447 356 2HD1 LEU 43 2HD1 LEU 43 -12.845 -0.822 -3.210 357 3HD1 LEU 43 3HD1 LEU 43 -11.305 -1.018 -2.374 358 1HD2 LEU 43 1HD2 LEU 43 -10.659 -3.141 -3.270 359 2HD2 LEU 43 2HD2 LEU 43 -12.008 -3.007 -4.399 360 3HD2 LEU 43 3HD2 LEU 43 -11.818 -4.462 -3.421 361 H GLY 44 H GLY 44 -13.529 -4.641 1.629 362 1HA GLY 44 2HA GLY 44 -11.167 -5.557 2.970 363 2HA GLY 44 1HA GLY 44 -12.783 -5.513 3.679 364 H GLU 45 H GLU 45 -14.066 -7.224 1.789 365 HA GLU 45 HA GLU 45 -13.766 -9.787 2.898 366 1HB GLU 45 2HB GLU 45 -15.457 -8.648 1.194 367 2HB GLU 45 1HB GLU 45 -14.443 -9.458 0.000 368 1HG GLU 45 2HG GLU 45 -16.160 -11.024 0.510 369 2HG GLU 45 1HG GLU 45 -14.749 -11.581 1.409 370 H MET 46 H MET 46 -12.099 -8.412 0.067 371 HA MET 46 HA MET 46 -10.694 -10.861 -0.638 372 1HB MET 46 2HB MET 46 -10.391 -7.917 -1.289 373 2HB MET 46 1HB MET 46 -9.335 -9.148 -1.986 374 1HG MET 46 2HG MET 46 -12.341 -9.376 -2.140 375 2HG MET 46 1HG MET 46 -11.419 -8.485 -3.350 376 1HE MET 46 1HE MET 46 -11.356 -11.172 -5.787 377 2HE MET 46 2HE MET 46 -10.628 -9.599 -5.473 378 3HE MET 46 3HE MET 46 -12.341 -9.850 -5.142 379 H TRP 47 H TRP 47 -9.796 -7.874 1.085 380 HA TRP 47 HA TRP 47 -7.086 -8.370 1.639 381 1HB TRP 47 2HB TRP 47 -8.498 -6.331 2.143 382 2HB TRP 47 1HB TRP 47 -9.125 -7.192 3.548 383 HD1 TRP 47 HD TRP 47 -7.887 -6.613 5.675 384 HE1 TRP 47 1HE TRP 47 -5.476 -5.941 6.296 385 HE3 TRP 47 3HE TRP 47 -5.725 -6.713 1.051 386 HZ2 TRP 47 2HZ TRP 47 -2.964 -5.503 5.001 387 HZ3 TRP 47 3HZ TRP 47 -3.324 -6.165 0.773 388 HH2 TRP 47 HH TRP 47 -1.942 -5.560 2.741 389 H SER 48 H SER 48 -9.806 -9.157 3.866 390 HA SER 48 HA SER 48 -8.277 -10.654 5.739 391 1HB SER 48 2HB SER 48 -10.655 -9.738 5.888 392 2HB SER 48 1HB SER 48 -11.161 -11.137 4.943 393 HG SER 48 HG SER 48 -11.324 -11.548 7.173 394 H GLU 49 H GLU 49 -9.768 -11.607 2.683 395 HA GLU 49 HA GLU 49 -9.576 -14.453 2.978 396 1HB GLU 49 2HB GLU 49 -9.949 -12.429 0.845 397 2HB GLU 49 1HB GLU 49 -9.318 -13.981 0.296 398 1HG GLU 49 2HG GLU 49 -11.202 -15.068 1.634 399 2HG GLU 49 1HG GLU 49 -11.891 -13.452 1.793 400 H GLN 50 H GLN 50 -7.311 -12.040 1.649 401 HA GLN 50 HA GLN 50 -5.282 -13.878 0.781 402 1HB GLN 50 2HB GLN 50 -5.217 -10.984 1.694 403 2HB GLN 50 1HB GLN 50 -3.866 -11.794 0.901 404 1HG GLN 50 2HG GLN 50 -6.604 -11.794 -0.356 405 2HG GLN 50 1HG GLN 50 -5.511 -10.426 -0.578 406 1HE2 GLN 50 1HE2 GLN 50 -6.448 -13.117 -2.176 407 2HE2 GLN 50 2HE2 GLN 50 -4.998 -13.537 -2.954 408 H SER 51 H SER 51 -3.266 -14.391 1.826 409 HA SER 51 HA SER 51 -3.471 -14.558 4.797 410 1HB SER 51 2HB SER 51 -1.884 -16.373 4.521 411 2HB SER 51 1HB SER 51 -3.123 -16.564 3.282 412 HG SER 51 HG SER 51 -0.627 -16.519 2.830 413 H ALA 52 H ALA 52 -0.517 -14.916 5.002 414 HA ALA 52 HA ALA 52 0.222 -12.089 5.253 415 1HB ALA 52 1HB ALA 52 0.883 -13.635 6.971 416 2HB ALA 52 2HB ALA 52 2.359 -13.203 6.107 417 3HB ALA 52 3HB ALA 52 1.571 -14.749 5.788 418 H LYS 53 H LYS 53 -0.196 -12.293 2.608 419 HA LYS 53 HA LYS 53 2.554 -12.413 1.427 420 1HB LYS 53 2HB LYS 53 0.699 -14.337 1.055 421 2HB LYS 53 1HB LYS 53 0.194 -13.214 -0.209 422 1HG LYS 53 2HG LYS 53 2.388 -13.250 -1.218 423 2HG LYS 53 1HG LYS 53 3.045 -14.180 0.130 424 1HD LYS 53 2HD LYS 53 1.881 -16.133 -0.489 425 2HD LYS 53 1HD LYS 53 0.738 -15.241 -1.493 426 1HE LYS 53 2HE LYS 53 2.349 -14.889 -3.212 427 2HE LYS 53 1HE LYS 53 3.695 -15.343 -2.146 428 1HZ LYS 53 1HZ LYS 53 1.475 -17.132 -2.993 429 2HZ LYS 53 2HZ LYS 53 2.745 -17.559 -1.947 430 3HZ LYS 53 3HZ LYS 53 3.067 -17.196 -3.576 431 H ASP 54 H ASP 54 -0.808 -11.272 1.024 432 HA ASP 54 HA ASP 54 -0.310 -9.387 -1.071 433 1HB ASP 54 2HB ASP 54 -2.483 -10.391 0.088 434 2HB ASP 54 1HB ASP 54 -2.375 -8.916 1.050 435 H LYS 55 H LYS 55 0.018 -9.129 2.461 436 HA LYS 55 HA LYS 55 0.545 -6.225 2.293 437 1HB LYS 55 2HB LYS 55 -0.827 -7.370 4.073 438 2HB LYS 55 1HB LYS 55 0.656 -8.128 4.650 439 1HG LYS 55 2HG LYS 55 1.593 -6.062 5.306 440 2HG LYS 55 1HG LYS 55 0.463 -5.136 4.316 441 1HD LYS 55 2HD LYS 55 -0.501 -4.852 6.404 442 2HD LYS 55 1HD LYS 55 -1.337 -6.312 5.874 443 1HE LYS 55 2HE LYS 55 0.347 -7.699 7.070 444 2HE LYS 55 1HE LYS 55 1.132 -6.216 7.648 445 1HZ LYS 55 1HZ LYS 55 -1.700 -6.996 8.108 446 2HZ LYS 55 2HZ LYS 55 -1.005 -5.521 8.587 447 3HZ LYS 55 3HZ LYS 55 -0.469 -6.979 9.274 448 H GLN 56 H GLN 56 2.471 -8.417 1.191 449 HA GLN 56 HA GLN 56 4.834 -7.904 2.924 450 1HB GLN 56 2HB GLN 56 3.961 -9.919 0.954 451 2HB GLN 56 1HB GLN 56 5.672 -9.509 0.858 452 1HG GLN 56 2HG GLN 56 4.340 -10.146 3.493 453 2HG GLN 56 1HG GLN 56 5.022 -11.409 2.468 454 1HE2 GLN 56 1HE2 GLN 56 5.802 -9.279 4.971 455 2HE2 GLN 56 2HE2 GLN 56 7.490 -9.286 4.795 456 HA PRO 57 HA PRO 57 6.458 -6.020 -1.090 457 1HB PRO 57 2HB PRO 57 5.017 -6.088 -3.393 458 2HB PRO 57 1HB PRO 57 6.080 -7.418 -2.890 459 1HG PRO 57 2HG PRO 57 3.138 -7.196 -2.761 460 2HG PRO 57 1HG PRO 57 4.148 -8.618 -3.040 461 1HD PRO 57 2HD PRO 57 2.908 -7.962 -0.650 462 2HD PRO 57 1HD PRO 57 4.269 -9.087 -0.836 463 H TYR 58 H TYR 58 2.956 -5.706 -0.761 464 HA TYR 58 HA TYR 58 2.870 -2.952 -1.754 465 1HB TYR 58 2HB TYR 58 1.052 -5.081 -0.809 466 2HB TYR 58 1HB TYR 58 0.487 -3.442 -0.491 467 HD1 TYR 58 1HD TYR 58 1.844 -5.632 -3.200 468 HD2 TYR 58 2HD TYR 58 -0.469 -2.149 -2.216 469 HE1 TYR 58 1HE TYR 58 1.178 -5.403 -5.578 470 HE2 TYR 58 2HE TYR 58 -1.135 -1.920 -4.594 471 HH TYR 58 HH TYR 58 -1.348 -3.437 -6.596 472 H GLU 59 H GLU 59 3.735 -4.312 1.271 473 HA GLU 59 HA GLU 59 2.647 -2.133 2.918 474 1HB GLU 59 2HB GLU 59 3.678 -3.388 4.729 475 2HB GLU 59 1HB GLU 59 2.899 -4.516 3.631 476 1HG GLU 59 2HG GLU 59 4.905 -5.604 3.671 477 2HG GLU 59 1HG GLU 59 5.402 -4.358 2.528 478 H GLN 60 H GLN 60 5.660 -2.832 1.263 479 HA GLN 60 HA GLN 60 7.255 -0.901 2.772 480 1HB GLN 60 2HB GLN 60 8.933 -1.440 1.016 481 2HB GLN 60 1HB GLN 60 8.229 -2.891 1.726 482 1HG GLN 60 2HG GLN 60 6.946 -3.354 -0.168 483 2HG GLN 60 1HG GLN 60 7.010 -1.690 -0.748 484 1HE2 GLN 60 1HE2 GLN 60 9.061 -4.601 -0.284 485 2HE2 GLN 60 2HE2 GLN 60 10.174 -4.200 -1.500 486 H LYS 61 H LYS 61 5.138 -0.764 0.005 487 HA LYS 61 HA LYS 61 6.209 1.579 -1.283 488 1HB LYS 61 2HB LYS 61 4.660 0.055 -2.382 489 2HB LYS 61 1HB LYS 61 3.444 0.325 -1.137 490 1HG LYS 61 2HG LYS 61 3.106 2.598 -1.844 491 2HG LYS 61 1HG LYS 61 4.503 2.533 -2.920 492 1HD LYS 61 2HD LYS 61 3.172 0.496 -3.979 493 2HD LYS 61 1HD LYS 61 1.786 1.321 -3.261 494 1HE LYS 61 2HE LYS 61 2.525 3.436 -4.419 495 2HE LYS 61 1HE LYS 61 3.757 2.475 -5.263 496 1HZ LYS 61 1HZ LYS 61 2.089 1.063 -6.162 497 2HZ LYS 61 2HZ LYS 61 1.596 2.659 -6.472 498 3HZ LYS 61 3HZ LYS 61 0.874 1.772 -5.216 499 H ALA 62 H ALA 62 3.688 1.157 1.220 500 HA ALA 62 HA ALA 62 3.257 4.045 1.469 501 1HB ALA 62 1HB ALA 62 2.300 1.508 2.762 502 2HB ALA 62 2HB ALA 62 1.364 2.768 1.959 503 3HB ALA 62 3HB ALA 62 2.001 3.042 3.579 504 H ALA 63 H ALA 63 5.530 1.767 2.739 505 HA ALA 63 HA ALA 63 6.063 2.843 5.327 506 1HB ALA 63 1HB ALA 63 7.923 1.603 3.264 507 2HB ALA 63 2HB ALA 63 6.942 0.708 4.425 508 3HB ALA 63 3HB ALA 63 8.259 1.735 4.991 509 H LYS 64 H LYS 64 7.005 3.902 2.073 510 HA LYS 64 HA LYS 64 8.974 5.855 2.949 511 1HB LYS 64 2HB LYS 64 9.047 4.888 0.739 512 2HB LYS 64 1HB LYS 64 7.380 5.344 0.436 513 1HG LYS 64 2HG LYS 64 7.997 7.366 -0.327 514 2HG LYS 64 1HG LYS 64 8.915 7.691 1.144 515 1HD LYS 64 2HD LYS 64 10.489 7.764 -0.666 516 2HD LYS 64 1HD LYS 64 10.762 6.236 0.175 517 1HE LYS 64 2HE LYS 64 9.764 4.967 -1.535 518 2HE LYS 64 1HE LYS 64 8.861 6.359 -2.168 519 1HZ LYS 64 1HZ LYS 64 10.774 5.944 -3.561 520 2HZ LYS 64 2HZ LYS 64 11.814 6.004 -2.218 521 3HZ LYS 64 3HZ LYS 64 10.996 7.404 -2.726 522 H LEU 65 H LEU 65 5.775 6.273 1.419 523 HA LEU 65 HA LEU 65 5.281 8.957 1.778 524 1HB LEU 65 2HB LEU 65 3.528 6.517 2.003 525 2HB LEU 65 1HB LEU 65 2.839 8.136 2.102 526 HG LEU 65 HG LEU 65 4.569 8.244 -0.112 527 1HD1 LEU 65 1HD1 LEU 65 4.769 5.855 -0.254 528 2HD1 LEU 65 2HD1 LEU 65 3.625 6.342 -1.504 529 3HD1 LEU 65 3HD1 LEU 65 3.039 5.634 0.001 530 1HD2 LEU 65 1HD2 LEU 65 1.600 7.679 -0.258 531 2HD2 LEU 65 2HD2 LEU 65 2.573 8.672 -1.342 532 3HD2 LEU 65 3HD2 LEU 65 2.233 9.229 0.296 533 H LYS 66 H LYS 66 5.343 6.581 4.388 534 HA LYS 66 HA LYS 66 3.893 8.093 6.368 535 1HB LYS 66 2HB LYS 66 4.496 5.669 6.475 536 2HB LYS 66 1HB LYS 66 6.188 6.123 6.672 537 1HG LYS 66 2HG LYS 66 5.473 5.811 8.889 538 2HG LYS 66 1HG LYS 66 5.334 7.555 8.671 539 1HD LYS 66 2HD LYS 66 3.169 7.385 9.272 540 2HD LYS 66 1HD LYS 66 2.879 6.521 7.764 541 1HE LYS 66 2HE LYS 66 3.808 5.164 10.319 542 2HE LYS 66 1HE LYS 66 2.115 5.241 9.795 543 1HZ LYS 66 1HZ LYS 66 3.211 3.225 8.981 544 2HZ LYS 66 2HZ LYS 66 4.368 4.173 8.174 545 3HZ LYS 66 3HZ LYS 66 2.737 4.230 7.700 546 H GLU 67 H GLU 67 7.347 7.876 5.519 547 HA GLU 67 HA GLU 67 8.308 9.722 7.509 548 1HB GLU 67 2HB GLU 67 9.304 8.681 4.850 549 2HB GLU 67 1HB GLU 67 10.254 9.823 5.802 550 1HG GLU 67 2HG GLU 67 10.134 8.260 7.739 551 2HG GLU 67 1HG GLU 67 9.277 7.103 6.720 552 H LYS 68 H LYS 68 7.831 10.201 3.978 553 HA LYS 68 HA LYS 68 8.285 12.965 3.816 554 1HB LYS 68 2HB LYS 68 6.675 10.925 2.355 555 2HB LYS 68 1HB LYS 68 6.350 12.616 1.973 556 1HG LYS 68 2HG LYS 68 8.071 12.112 0.474 557 2HG LYS 68 1HG LYS 68 8.960 12.809 1.829 558 1HD LYS 68 2HD LYS 68 9.501 10.605 2.684 559 2HD LYS 68 1HD LYS 68 8.477 9.839 1.469 560 1HE LYS 68 2HE LYS 68 10.763 11.636 0.642 561 2HE LYS 68 1HE LYS 68 11.024 9.913 0.981 562 1HZ LYS 68 1HZ LYS 68 9.053 11.058 -0.927 563 2HZ LYS 68 2HZ LYS 68 9.167 9.410 -0.528 564 3HZ LYS 68 3HZ LYS 68 10.449 10.183 -1.330 565 H TYR 69 H TYR 69 5.408 11.279 4.983 566 HA TYR 69 HA TYR 69 3.707 13.651 5.088 567 1HB TYR 69 2HB TYR 69 2.813 11.374 4.878 568 2HB TYR 69 1HB TYR 69 3.595 10.900 6.384 569 HD1 TYR 69 1HD TYR 69 0.727 12.572 4.874 570 HD2 TYR 69 2HD TYR 69 2.830 11.888 8.556 571 HE1 TYR 69 1HE TYR 69 -1.256 13.336 6.151 572 HE2 TYR 69 2HE TYR 69 0.848 12.652 9.832 573 HH TYR 69 HH TYR 69 -1.436 14.426 8.788 574 H GLU 70 H GLU 70 4.992 11.582 7.691 575 HA GLU 70 HA GLU 70 4.598 13.424 9.826 576 1HB GLU 70 2HB GLU 70 6.451 11.089 9.341 577 2HB GLU 70 1HB GLU 70 6.428 11.940 10.886 578 1HG GLU 70 2HG GLU 70 3.848 11.582 10.778 579 2HG GLU 70 1HG GLU 70 4.234 10.341 9.585 580 H LYS 71 H LYS 71 7.045 13.429 7.343 581 HA LYS 71 HA LYS 71 8.850 15.165 8.954 582 1HB LYS 71 2HB LYS 71 9.060 13.805 6.253 583 2HB LYS 71 1HB LYS 71 10.337 14.799 6.953 584 1HG LYS 71 2HG LYS 71 9.147 12.501 8.499 585 2HG LYS 71 1HG LYS 71 10.453 12.237 7.342 586 1HD LYS 71 2HD LYS 71 10.648 14.339 9.502 587 2HD LYS 71 1HD LYS 71 11.138 12.668 9.785 588 1HE LYS 71 2HE LYS 71 12.883 12.780 8.191 589 2HE LYS 71 1HE LYS 71 12.192 14.218 7.412 590 1HZ LYS 71 1HZ LYS 71 12.545 15.456 9.459 591 2HZ LYS 71 2HZ LYS 71 14.016 14.828 8.887 592 3HZ LYS 71 3HZ LYS 71 13.226 14.088 10.196 593 H ASP 72 H ASP 72 6.551 15.354 6.304 594 HA ASP 72 HA ASP 72 7.463 18.126 5.655 595 1HB ASP 72 2HB ASP 72 7.168 16.334 3.898 596 2HB ASP 72 1HB ASP 72 5.441 16.350 4.259 597 H ILE 73 H ILE 73 4.738 16.311 6.974 598 HA ILE 73 HA ILE 73 2.766 18.393 6.796 599 HB ILE 73 HB ILE 73 2.454 15.909 7.212 600 1HG1 ILE 73 2HG1 ILE 73 0.680 16.434 9.124 601 2HG1 ILE 73 1HG1 ILE 73 1.122 18.100 8.747 602 1HG2 ILE 73 1HG2 ILE 73 4.223 15.915 9.092 603 2HG2 ILE 73 2HG2 ILE 73 2.753 14.981 9.369 604 3HG2 ILE 73 3HG2 ILE 73 2.944 16.566 10.118 605 1HD1 ILE 73 1HD1 ILE 73 0.567 17.770 6.401 606 2HD1 ILE 73 2HD1 ILE 73 -0.809 17.266 7.383 607 3HD1 ILE 73 3HD1 ILE 73 0.263 16.055 6.679 608 H ALA 74 H ALA 74 5.228 17.626 9.229 609 HA ALA 74 HA ALA 74 4.363 19.389 11.308 610 1HB ALA 74 1HB ALA 74 6.054 17.663 11.623 611 2HB ALA 74 2HB ALA 74 6.792 19.226 11.968 612 3HB ALA 74 3HB ALA 74 7.105 18.424 10.430 613 H ALA 75 H ALA 75 6.695 19.911 8.645 614 HA ALA 75 HA ALA 75 7.085 22.733 9.265 615 1HB ALA 75 1HB ALA 75 8.320 22.648 7.092 616 2HB ALA 75 2HB ALA 75 7.699 21.018 6.835 617 3HB ALA 75 3HB ALA 75 8.791 21.344 8.182 618 H TYR 76 H TYR 76 4.797 20.894 7.367 619 HA TYR 76 HA TYR 76 3.957 22.961 5.543 620 1HB TYR 76 2HB TYR 76 3.535 20.505 5.341 621 2HB TYR 76 1HB TYR 76 2.427 20.609 6.710 622 HD1 TYR 76 1HD TYR 76 3.026 21.739 3.223 623 HD2 TYR 76 2HD TYR 76 0.213 21.499 6.461 624 HE1 TYR 76 1HE TYR 76 1.205 22.442 1.693 625 HE2 TYR 76 2HE TYR 76 -1.608 22.202 4.931 626 HH TYR 76 HH TYR 76 -1.477 22.052 1.729 627 H ARG 77 H ARG 77 3.096 22.141 8.866 628 HA ARG 77 HA ARG 77 1.044 24.319 8.892 629 1HB ARG 77 2HB ARG 77 1.624 21.989 10.747 630 2HB ARG 77 1HB ARG 77 0.308 23.143 10.968 631 1HG ARG 77 2HG ARG 77 -0.789 22.435 8.980 632 2HG ARG 77 1HG ARG 77 0.636 21.565 8.413 633 1HD ARG 77 2HD ARG 77 -0.631 19.795 9.262 634 2HD ARG 77 1HD ARG 77 0.301 20.235 10.707 635 HE ARG 77 HE ARG 77 -1.654 21.667 11.378 636 1HH1 ARG 77 1HH2 ARG 77 -2.717 20.946 8.438 637 2HH1 ARG 77 2HH2 ARG 77 -4.119 20.038 8.894 638 1HH2 ARG 77 1HH1 ARG 77 -3.178 19.750 12.219 639 2HH2 ARG 77 2HH1 ARG 77 -4.381 19.361 11.035 640 H ALA 78 H ALA 78 4.268 24.139 9.436 641 HA ALA 78 HA ALA 78 5.787 25.341 10.777 642 1HB ALA 78 1HB ALA 78 5.108 27.563 11.178 643 2HB ALA 78 2HB ALA 78 3.442 27.090 11.511 644 3HB ALA 78 3HB ALA 78 4.052 27.065 9.856 645 H LYS 79 H LYS 79 5.615 23.337 12.232 646 HA LYS 79 HA LYS 79 4.665 24.172 14.948 647 1HB LYS 79 2HB LYS 79 3.303 22.437 13.418 648 2HB LYS 79 1HB LYS 79 4.475 21.315 14.113 649 1HG LYS 79 2HG LYS 79 2.884 21.230 15.774 650 2HG LYS 79 1HG LYS 79 3.805 22.615 16.355 651 1HD LYS 79 2HD LYS 79 1.630 23.147 14.383 652 2HD LYS 79 1HD LYS 79 1.150 22.731 16.029 653 1HE LYS 79 2HE LYS 79 3.098 24.530 16.583 654 2HE LYS 79 1HE LYS 79 2.525 25.170 15.029 655 1HZ LYS 79 1HZ LYS 79 0.292 25.163 15.814 656 2HZ LYS 79 2HZ LYS 79 1.228 25.957 16.989 657 3HZ LYS 79 3HZ LYS 79 0.722 24.355 17.243 Start of MODEL 17 1 1H MET 1 1HT MET 1 -9.108 17.484 -3.140 2 2H MET 1 2HT MET 1 -9.988 18.115 -4.449 3 3H MET 1 3HT MET 1 -8.875 16.855 -4.698 4 HA MET 1 HA MET 1 -11.427 16.675 -3.175 5 1HB MET 1 2HB MET 1 -11.257 16.836 -5.772 6 2HB MET 1 1HB MET 1 -10.578 15.211 -5.673 7 1HG MET 1 2HG MET 1 -12.571 14.401 -4.528 8 2HG MET 1 1HG MET 1 -13.240 16.032 -4.475 9 1HE MET 1 1HE MET 1 -13.175 17.482 -6.411 10 2HE MET 1 2HE MET 1 -14.844 16.977 -6.664 11 3HE MET 1 3HE MET 1 -13.737 17.050 -8.032 12 H LYS 2 H LYS 2 -8.916 14.630 -4.724 13 HA LYS 2 HA LYS 2 -8.763 13.018 -2.205 14 1HB LYS 2 2HB LYS 2 -9.735 12.299 -4.891 15 2HB LYS 2 1HB LYS 2 -8.535 11.175 -4.255 16 1HG LYS 2 2HG LYS 2 -10.471 10.268 -3.356 17 2HG LYS 2 1HG LYS 2 -10.000 11.363 -2.055 18 1HD LYS 2 2HD LYS 2 -11.701 12.844 -2.498 19 2HD LYS 2 1HD LYS 2 -11.696 12.498 -4.227 20 1HE LYS 2 2HE LYS 2 -12.490 10.079 -3.150 21 2HE LYS 2 1HE LYS 2 -13.269 11.262 -2.080 22 1HZ LYS 2 1HZ LYS 2 -13.344 11.305 -5.051 23 2HZ LYS 2 2HZ LYS 2 -14.067 12.452 -4.027 24 3HZ LYS 2 3HZ LYS 2 -14.629 10.850 -4.042 25 H LYS 3 H LYS 3 -6.911 11.168 -2.951 26 HA LYS 3 HA LYS 3 -4.587 10.872 -3.210 27 1HB LYS 3 2HB LYS 3 -5.705 11.771 -5.545 28 2HB LYS 3 1HB LYS 3 -4.443 12.976 -5.286 29 1HG LYS 3 2HG LYS 3 -2.926 10.893 -4.797 30 2HG LYS 3 1HG LYS 3 -4.169 10.009 -5.683 31 1HD LYS 3 2HD LYS 3 -3.876 11.427 -7.629 32 2HD LYS 3 1HD LYS 3 -2.764 12.475 -6.746 33 1HE LYS 3 2HE LYS 3 -1.235 10.488 -6.446 34 2HE LYS 3 1HE LYS 3 -2.303 9.579 -7.535 35 1HZ LYS 3 1HZ LYS 3 -0.477 10.708 -8.725 36 2HZ LYS 3 2HZ LYS 3 -1.069 12.205 -8.182 37 3HZ LYS 3 3HZ LYS 3 -2.008 11.243 -9.223 38 H LYS 4 H LYS 4 -2.514 12.555 -3.758 39 HA LYS 4 HA LYS 4 -2.782 14.921 -2.029 40 1HB LYS 4 2HB LYS 4 -0.738 14.166 -0.828 41 2HB LYS 4 1HB LYS 4 -2.089 13.071 -0.597 42 1HG LYS 4 2HG LYS 4 -0.543 11.485 -1.162 43 2HG LYS 4 1HG LYS 4 -0.936 11.972 -2.807 44 1HD LYS 4 2HD LYS 4 1.446 12.045 -2.663 45 2HD LYS 4 1HD LYS 4 0.913 13.724 -2.584 46 1HE LYS 4 2HE LYS 4 2.492 13.534 -0.812 47 2HE LYS 4 1HE LYS 4 0.925 13.373 0.004 48 1HZ LYS 4 1HZ LYS 4 1.080 11.011 -0.100 49 2HZ LYS 4 2HZ LYS 4 2.538 11.580 0.563 50 3HZ LYS 4 3HZ LYS 4 2.477 11.076 -1.059 51 H ASP 5 H ASP 5 -0.567 16.158 -2.113 52 HA ASP 5 HA ASP 5 0.253 16.292 -4.976 53 1HB ASP 5 2HB ASP 5 -0.460 18.151 -2.989 54 2HB ASP 5 1HB ASP 5 1.283 18.346 -3.172 55 HA PRO 6 HA PRO 6 4.247 14.650 -4.078 56 1HB PRO 6 2HB PRO 6 5.836 16.034 -5.823 57 2HB PRO 6 1HB PRO 6 4.726 14.748 -6.334 58 1HG PRO 6 2HG PRO 6 4.383 17.702 -6.463 59 2HG PRO 6 1HG PRO 6 3.921 16.460 -7.638 60 1HD PRO 6 2HD PRO 6 2.152 17.636 -5.943 61 2HD PRO 6 1HD PRO 6 1.959 15.979 -6.557 62 H ASN 7 H ASN 7 3.688 18.092 -3.828 63 HA ASN 7 HA ASN 7 6.234 18.538 -2.358 64 1HB ASN 7 2HB ASN 7 4.035 20.219 -3.550 65 2HB ASN 7 1HB ASN 7 5.159 20.928 -2.390 66 1HD2 ASN 7 1HD2 ASN 7 6.883 21.923 -3.426 67 2HD2 ASN 7 2HD2 ASN 7 7.596 21.394 -4.873 68 H ALA 8 H ALA 8 2.764 18.234 -1.838 69 HA ALA 8 HA ALA 8 3.090 18.971 1.042 70 1HB ALA 8 1HB ALA 8 0.617 19.168 0.935 71 2HB ALA 8 2HB ALA 8 0.657 18.624 -0.742 72 3HB ALA 8 3HB ALA 8 1.394 20.163 -0.295 73 HA PRO 9 HA PRO 9 2.859 14.412 1.283 74 1HB PRO 9 2HB PRO 9 3.960 14.204 3.777 75 2HB PRO 9 1HB PRO 9 4.935 14.359 2.304 76 1HG PRO 9 2HG PRO 9 4.202 16.432 4.310 77 2HG PRO 9 1HG PRO 9 5.731 16.182 3.453 78 1HD PRO 9 2HD PRO 9 3.917 18.088 2.751 79 2HD PRO 9 1HD PRO 9 5.027 17.321 1.593 80 H LYS 10 H LYS 10 0.504 14.689 1.423 81 HA LYS 10 HA LYS 10 -0.904 15.571 3.738 82 1HB LYS 10 2HB LYS 10 -1.438 14.601 1.149 83 2HB LYS 10 1HB LYS 10 -2.259 13.477 2.229 84 1HG LYS 10 2HG LYS 10 -3.775 15.295 1.693 85 2HG LYS 10 1HG LYS 10 -3.305 15.435 3.387 86 1HD LYS 10 2HD LYS 10 -2.969 17.621 2.692 87 2HD LYS 10 1HD LYS 10 -1.371 16.946 2.369 88 1HE LYS 10 2HE LYS 10 -1.711 16.888 0.061 89 2HE LYS 10 1HE LYS 10 -3.477 16.805 0.224 90 1HZ LYS 10 1HZ LYS 10 -3.496 19.045 1.081 91 2HZ LYS 10 2HZ LYS 10 -2.717 19.034 -0.429 92 3HZ LYS 10 3HZ LYS 10 -1.805 19.136 1.001 93 H ARG 11 H ARG 11 -2.647 13.296 4.181 94 HA ARG 11 HA ARG 11 -1.364 12.021 6.384 95 1HB ARG 11 2HB ARG 11 -3.907 12.028 5.010 96 2HB ARG 11 1HB ARG 11 -3.464 10.364 5.395 97 1HG ARG 11 2HG ARG 11 -4.638 11.157 7.308 98 2HG ARG 11 1HG ARG 11 -2.933 11.219 7.756 99 1HD ARG 11 2HD ARG 11 -2.830 13.599 7.370 100 2HD ARG 11 1HD ARG 11 -4.447 13.602 6.637 101 HE ARG 11 HE ARG 11 -3.896 13.059 9.524 102 1HH1 ARG 11 1HH2 ARG 11 -5.401 15.457 8.207 103 2HH1 ARG 11 2HH2 ARG 11 -7.031 15.045 8.622 104 1HH2 ARG 11 1HH1 ARG 11 -6.265 11.780 9.499 105 2HH2 ARG 11 2HH1 ARG 11 -7.521 12.964 9.354 106 HA PRO 12 HA PRO 12 0.929 8.977 4.052 107 1HB PRO 12 2HB PRO 12 1.870 7.494 6.146 108 2HB PRO 12 1HB PRO 12 2.551 9.071 5.700 109 1HG PRO 12 2HG PRO 12 0.709 8.363 7.911 110 2HG PRO 12 1HG PRO 12 1.991 9.580 7.848 111 1HD PRO 12 2HD PRO 12 -0.709 10.113 7.610 112 2HD PRO 12 1HD PRO 12 0.594 11.178 7.044 113 HA PRO 13 HA PRO 13 -2.186 5.779 4.117 114 1HB PRO 13 2HB PRO 13 -1.181 4.187 2.139 115 2HB PRO 13 1HB PRO 13 -2.007 5.724 1.818 116 1HG PRO 13 2HG PRO 13 0.876 5.082 1.742 117 2HG PRO 13 1HG PRO 13 -0.048 6.258 0.799 118 1HD PRO 13 2HD PRO 13 1.575 6.831 2.995 119 2HD PRO 13 1HD PRO 13 0.358 7.913 2.289 120 H SER 14 H SER 14 -1.847 3.088 3.808 121 HA SER 14 HA SER 14 0.508 2.102 5.256 122 1HB SER 14 2HB SER 14 -0.680 1.509 7.275 123 2HB SER 14 1HB SER 14 -1.003 3.210 6.954 124 HG SER 14 HG SER 14 -3.011 2.707 6.276 125 H ALA 15 H ALA 15 -0.017 1.099 2.877 126 HA ALA 15 HA ALA 15 -0.410 -0.886 1.720 127 1HB ALA 15 1HB ALA 15 -0.117 -1.586 4.476 128 2HB ALA 15 2HB ALA 15 0.162 -2.604 3.067 129 3HB ALA 15 3HB ALA 15 -1.430 -2.562 3.820 130 H PHE 16 H PHE 16 -2.927 -1.331 4.227 131 HA PHE 16 HA PHE 16 -5.034 -2.074 2.571 132 1HB PHE 16 2HB PHE 16 -4.790 -1.877 5.125 133 2HB PHE 16 1HB PHE 16 -5.350 -0.219 4.928 134 HD1 PHE 16 1HD PHE 16 -6.335 -3.662 5.194 135 HD2 PHE 16 2HD PHE 16 -7.560 0.156 3.652 136 HE1 PHE 16 1HE PHE 16 -8.679 -4.463 5.072 137 HE2 PHE 16 2HE PHE 16 -9.904 -0.645 3.530 138 HZ PHE 16 HZ PHE 16 -10.463 -2.954 4.240 139 H PHE 17 H PHE 17 -4.266 1.278 3.579 140 HA PHE 17 HA PHE 17 -6.375 2.572 2.169 141 1HB PHE 17 2HB PHE 17 -4.696 3.437 3.935 142 2HB PHE 17 1HB PHE 17 -3.594 3.691 2.582 143 HD1 PHE 17 1HD PHE 17 -6.794 4.714 4.112 144 HD2 PHE 17 2HD PHE 17 -4.016 5.402 0.909 145 HE1 PHE 17 1HE PHE 17 -7.944 6.844 3.572 146 HE2 PHE 17 2HE PHE 17 -5.165 7.532 0.370 147 HZ PHE 17 HZ PHE 17 -7.130 8.253 1.701 148 H LEU 18 H LEU 18 -3.171 1.481 1.122 149 HA LEU 18 HA LEU 18 -3.217 2.779 -1.470 150 1HB LEU 18 2HB LEU 18 -1.721 0.293 -0.561 151 2HB LEU 18 1HB LEU 18 -1.267 1.368 -1.877 152 HG LEU 18 HG LEU 18 -1.310 2.055 1.081 153 1HD1 LEU 18 1HD1 LEU 18 0.662 0.863 0.704 154 2HD1 LEU 18 2HD1 LEU 18 1.176 2.525 0.418 155 3HD1 LEU 18 3HD1 LEU 18 0.827 1.463 -0.946 156 1HD2 LEU 18 1HD2 LEU 18 -1.819 4.128 0.172 157 2HD2 LEU 18 2HD2 LEU 18 -1.117 3.728 -1.396 158 3HD2 LEU 18 3HD2 LEU 18 -0.068 4.151 -0.042 159 H PHE 19 H PHE 19 -4.289 -0.332 -0.195 160 HA PHE 19 HA PHE 19 -4.804 -1.584 -2.763 161 1HB PHE 19 2HB PHE 19 -4.406 -2.616 -0.436 162 2HB PHE 19 1HB PHE 19 -6.090 -2.217 -0.100 163 HD1 PHE 19 1HD PHE 19 -7.913 -3.195 -1.518 164 HD2 PHE 19 2HD PHE 19 -3.819 -4.446 -1.861 165 HE1 PHE 19 1HE PHE 19 -8.639 -5.239 -2.720 166 HE2 PHE 19 2HE PHE 19 -4.544 -6.490 -3.064 167 HZ PHE 19 HZ PHE 19 -6.954 -6.887 -3.493 168 H CYS 20 H CYS 20 -6.986 -0.190 -0.270 169 HA CYS 20 HA CYS 20 -9.397 -0.470 -1.774 170 1HB CYS 20 2HB CYS 20 -10.313 0.981 -0.075 171 2HB CYS 20 1HB CYS 20 -9.060 0.020 0.702 172 HG CYS 20 HG CYS 20 -8.450 2.365 1.454 173 H SER 21 H SER 21 -6.914 2.006 -1.806 174 HA SER 21 HA SER 21 -8.381 4.009 -3.277 175 1HB SER 21 2HB SER 21 -6.172 5.042 -3.460 176 2HB SER 21 1HB SER 21 -6.377 4.366 -1.847 177 HG SER 21 HG SER 21 -4.361 3.899 -3.161 178 H GLU 22 H GLU 22 -6.600 1.142 -4.331 179 HA GLU 22 HA GLU 22 -6.798 2.135 -7.152 180 1HB GLU 22 2HB GLU 22 -4.942 0.581 -7.580 181 2HB GLU 22 1HB GLU 22 -4.546 1.676 -6.259 182 1HG GLU 22 2HG GLU 22 -4.123 -0.110 -4.956 183 2HG GLU 22 1HG GLU 22 -5.826 -0.550 -5.062 184 H TYR 23 H TYR 23 -7.821 -0.497 -5.006 185 HA TYR 23 HA TYR 23 -8.592 -2.273 -7.197 186 1HB TYR 23 2HB TYR 23 -8.621 -2.188 -4.233 187 2HB TYR 23 1HB TYR 23 -9.873 -3.184 -4.972 188 HD1 TYR 23 1HD TYR 23 -9.355 -5.279 -5.972 189 HD2 TYR 23 2HD TYR 23 -6.198 -2.586 -4.864 190 HE1 TYR 23 1HE TYR 23 -7.683 -7.055 -6.418 191 HE2 TYR 23 2HE TYR 23 -4.525 -4.362 -5.311 192 HH TYR 23 HH TYR 23 -5.417 -7.640 -5.808 193 H ARG 24 H ARG 24 -10.275 0.041 -5.074 194 HA ARG 24 HA ARG 24 -12.947 -0.538 -5.538 195 1HB ARG 24 2HB ARG 24 -11.448 2.069 -5.299 196 2HB ARG 24 1HB ARG 24 -13.211 1.993 -5.347 197 1HG ARG 24 2HG ARG 24 -13.261 0.555 -3.390 198 2HG ARG 24 1HG ARG 24 -11.500 0.459 -3.374 199 1HD ARG 24 2HD ARG 24 -11.769 2.170 -1.834 200 2HD ARG 24 1HD ARG 24 -11.788 3.150 -3.313 201 HE ARG 24 HE ARG 24 -14.363 2.652 -3.238 202 1HH1 ARG 24 1HH2 ARG 24 -13.828 1.368 -0.457 203 2HH1 ARG 24 2HH2 ARG 24 -14.375 2.646 0.575 204 1HH2 ARG 24 1HH1 ARG 24 -14.398 5.029 -1.943 205 2HH2 ARG 24 2HH1 ARG 24 -14.699 4.719 -0.266 206 HA PRO 25 HA PRO 25 -12.977 2.156 -9.593 207 1HB PRO 25 2HB PRO 25 -10.561 2.335 -10.899 208 2HB PRO 25 1HB PRO 25 -11.175 3.577 -9.786 209 1HG PRO 25 2HG PRO 25 -9.256 1.345 -9.248 210 2HG PRO 25 1HG PRO 25 -9.147 3.055 -8.786 211 1HD PRO 25 2HD PRO 25 -9.924 1.249 -7.018 212 2HD PRO 25 1HD PRO 25 -10.732 2.829 -7.082 213 H LYS 26 H LYS 26 -10.848 -0.594 -9.111 214 HA LYS 26 HA LYS 26 -11.183 -1.804 -11.730 215 1HB LYS 26 2HB LYS 26 -9.452 -2.246 -9.851 216 2HB LYS 26 1HB LYS 26 -10.729 -3.199 -9.088 217 1HG LYS 26 2HG LYS 26 -9.994 -3.679 -11.968 218 2HG LYS 26 1HG LYS 26 -9.046 -4.413 -10.674 219 1HD LYS 26 2HD LYS 26 -11.369 -5.160 -9.736 220 2HD LYS 26 1HD LYS 26 -11.936 -4.857 -11.378 221 1HE LYS 26 2HE LYS 26 -9.466 -6.529 -10.931 222 2HE LYS 26 1HE LYS 26 -11.079 -7.258 -10.806 223 1HZ LYS 26 1HZ LYS 26 -10.081 -5.651 -13.100 224 2HZ LYS 26 2HZ LYS 26 -11.632 -6.335 -12.969 225 3HZ LYS 26 3HZ LYS 26 -10.264 -7.337 -13.089 226 H ILE 27 H ILE 27 -12.716 -2.225 -8.555 227 HA ILE 27 HA ILE 27 -14.594 -4.258 -9.161 228 HB ILE 27 HB ILE 27 -14.817 -1.840 -7.324 229 1HG1 ILE 27 2HG1 ILE 27 -12.787 -3.136 -6.850 230 2HG1 ILE 27 1HG1 ILE 27 -13.965 -3.375 -5.571 231 1HG2 ILE 27 1HG2 ILE 27 -16.977 -2.924 -7.600 232 2HG2 ILE 27 2HG2 ILE 27 -16.340 -3.300 -6.000 233 3HG2 ILE 27 3HG2 ILE 27 -16.260 -4.504 -7.286 234 1HD1 ILE 27 1HD1 ILE 27 -13.227 -5.268 -7.798 235 2HD1 ILE 27 2HD1 ILE 27 -14.711 -5.458 -6.865 236 3HD1 ILE 27 3HD1 ILE 27 -13.145 -5.543 -6.057 237 H LYS 28 H LYS 28 -14.650 -0.798 -9.822 238 HA LYS 28 HA LYS 28 -17.481 -0.635 -10.386 239 1HB LYS 28 2HB LYS 28 -15.411 1.244 -11.524 240 2HB LYS 28 1HB LYS 28 -17.030 1.609 -10.945 241 1HG LYS 28 2HG LYS 28 -14.514 1.163 -9.388 242 2HG LYS 28 1HG LYS 28 -15.628 2.504 -9.286 243 1HD LYS 28 2HD LYS 28 -16.045 -0.304 -8.204 244 2HD LYS 28 1HD LYS 28 -15.842 1.176 -7.277 245 1HE LYS 28 2HE LYS 28 -18.119 0.877 -9.256 246 2HE LYS 28 1HE LYS 28 -18.266 0.349 -7.569 247 1HZ LYS 28 1HZ LYS 28 -18.932 2.644 -7.735 248 2HZ LYS 28 2HZ LYS 28 -17.476 3.055 -8.508 249 3HZ LYS 28 3HZ LYS 28 -17.468 2.555 -6.884 250 H SER 29 H SER 29 -14.617 -1.216 -12.397 251 HA SER 29 HA SER 29 -15.907 -0.961 -14.953 252 1HB SER 29 2HB SER 29 -13.453 -0.956 -14.492 253 2HB SER 29 1HB SER 29 -13.548 -2.671 -14.099 254 HG SER 29 HG SER 29 -13.137 -2.793 -16.187 255 H GLU 30 H GLU 30 -15.915 -3.510 -12.560 256 HA GLU 30 HA GLU 30 -17.258 -5.349 -14.511 257 1HB GLU 30 2HB GLU 30 -15.351 -5.657 -12.227 258 2HB GLU 30 1HB GLU 30 -16.485 -6.968 -12.535 259 1HG GLU 30 2HG GLU 30 -15.643 -6.498 -15.063 260 2HG GLU 30 1HG GLU 30 -14.196 -6.025 -14.173 261 H HIS 31 H HIS 31 -17.684 -3.517 -11.604 262 HA HIS 31 HA HIS 31 -20.325 -4.870 -11.170 263 1HB HIS 31 2HB HIS 31 -18.508 -3.733 -9.016 264 2HB HIS 31 1HB HIS 31 -19.985 -4.655 -8.774 265 HD1 HIS 31 1HD HIS 31 -16.370 -5.032 -9.620 266 HD2 HIS 31 2HD HIS 31 -19.727 -7.476 -9.264 267 HE1 HIS 31 1HE HIS 31 -15.518 -7.414 -9.599 268 HA PRO 32 HA PRO 32 -21.029 -0.412 -11.864 269 1HB PRO 32 2HB PRO 32 -23.492 -0.703 -13.020 270 2HB PRO 32 1HB PRO 32 -21.974 -0.847 -13.920 271 1HG PRO 32 2HG PRO 32 -23.796 -2.967 -12.947 272 2HG PRO 32 1HG PRO 32 -22.799 -2.913 -14.408 273 1HD PRO 32 2HD PRO 32 -22.169 -4.322 -12.125 274 2HD PRO 32 1HD PRO 32 -21.001 -3.812 -13.359 275 H GLY 33 H GLY 33 -23.274 -2.844 -10.596 276 1HA GLY 33 2HA GLY 33 -24.898 -0.922 -9.140 277 2HA GLY 33 1HA GLY 33 -24.952 -2.674 -8.961 278 H LEU 34 H LEU 34 -21.883 -2.518 -8.544 279 HA LEU 34 HA LEU 34 -21.778 -2.770 -5.740 280 1HB LEU 34 2HB LEU 34 -20.009 -2.692 -8.009 281 2HB LEU 34 1HB LEU 34 -19.283 -1.763 -6.708 282 HG LEU 34 HG LEU 34 -18.665 -4.200 -6.692 283 1HD1 LEU 34 1HD1 LEU 34 -19.314 -4.499 -4.219 284 2HD1 LEU 34 2HD1 LEU 34 -20.117 -2.937 -4.373 285 3HD1 LEU 34 3HD1 LEU 34 -18.380 -3.066 -4.645 286 1HD2 LEU 34 1HD2 LEU 34 -21.293 -4.917 -5.505 287 2HD2 LEU 34 2HD2 LEU 34 -20.212 -5.880 -6.513 288 3HD2 LEU 34 3HD2 LEU 34 -21.280 -4.689 -7.254 289 H SER 35 H SER 35 -23.010 -0.933 -4.872 290 HA SER 35 HA SER 35 -22.015 1.806 -5.218 291 1HB SER 35 2HB SER 35 -24.391 1.284 -4.864 292 2HB SER 35 1HB SER 35 -24.012 0.515 -3.324 293 HG SER 35 HG SER 35 -24.314 3.152 -3.948 294 H ILE 36 H ILE 36 -21.482 3.073 -3.104 295 HA ILE 36 HA ILE 36 -19.115 2.120 -1.900 296 HB ILE 36 HB ILE 36 -21.216 4.057 -0.865 297 1HG1 ILE 36 2HG1 ILE 36 -20.311 4.654 -3.084 298 2HG1 ILE 36 1HG1 ILE 36 -19.728 5.774 -1.858 299 1HG2 ILE 36 1HG2 ILE 36 -19.204 5.037 0.364 300 2HG2 ILE 36 2HG2 ILE 36 -18.355 3.539 -0.016 301 3HG2 ILE 36 3HG2 ILE 36 -19.804 3.500 0.988 302 1HD1 ILE 36 1HD1 ILE 36 -17.641 4.340 -1.686 303 2HD1 ILE 36 2HD1 ILE 36 -17.835 5.189 -3.219 304 3HD1 ILE 36 3HD1 ILE 36 -18.213 3.470 -3.110 305 H GLY 37 H GLY 37 -22.457 1.452 -1.057 306 1HA GLY 37 2HA GLY 37 -22.092 0.551 1.624 307 2HA GLY 37 1HA GLY 37 -23.387 0.017 0.549 308 H ASP 38 H ASP 38 -22.671 -1.614 -1.161 309 HA ASP 38 HA ASP 38 -21.420 -3.883 0.122 310 1HB ASP 38 2HB ASP 38 -23.211 -3.758 -1.728 311 2HB ASP 38 1HB ASP 38 -21.872 -3.477 -2.841 312 H THR 39 H THR 39 -20.234 -1.331 -1.985 313 HA THR 39 HA THR 39 -17.778 -2.628 -2.805 314 HB THR 39 HB THR 39 -18.575 0.294 -2.558 315 HG1 THR 39 1HG THR 39 -19.176 0.068 -4.662 316 1HG2 THR 39 1HG2 THR 39 -16.261 -1.052 -3.979 317 2HG2 THR 39 2HG2 THR 39 -16.166 0.159 -2.699 318 3HG2 THR 39 3HG2 THR 39 -16.769 0.607 -4.296 319 H ALA 40 H ALA 40 -18.743 -0.708 -0.009 320 HA ALA 40 HA ALA 40 -16.082 -0.254 1.035 321 1HB ALA 40 1HB ALA 40 -17.976 1.109 1.702 322 2HB ALA 40 2HB ALA 40 -17.423 0.232 3.130 323 3HB ALA 40 3HB ALA 40 -18.858 -0.313 2.262 324 H LYS 41 H LYS 41 -18.560 -2.754 1.552 325 HA LYS 41 HA LYS 41 -16.817 -4.194 3.446 326 1HB LYS 41 2HB LYS 41 -18.793 -5.577 3.787 327 2HB LYS 41 1HB LYS 41 -19.263 -3.882 3.807 328 1HG LYS 41 2HG LYS 41 -19.765 -4.200 1.286 329 2HG LYS 41 1HG LYS 41 -19.690 -5.924 1.628 330 1HD LYS 41 2HD LYS 41 -22.000 -5.228 1.825 331 2HD LYS 41 1HD LYS 41 -21.391 -5.571 3.444 332 1HE LYS 41 2HE LYS 41 -20.777 -2.862 3.066 333 2HE LYS 41 1HE LYS 41 -22.394 -3.052 2.360 334 1HZ LYS 41 1HZ LYS 41 -22.532 -2.689 4.751 335 2HZ LYS 41 2HZ LYS 41 -21.545 -4.042 5.031 336 3HZ LYS 41 3HZ LYS 41 -23.088 -4.240 4.347 337 H LYS 42 H LYS 42 -17.443 -4.261 0.017 338 HA LYS 42 HA LYS 42 -16.800 -7.109 -0.312 339 1HB LYS 42 2HB LYS 42 -18.366 -5.815 -1.766 340 2HB LYS 42 1HB LYS 42 -17.019 -4.807 -2.285 341 1HG LYS 42 2HG LYS 42 -17.491 -6.579 -3.933 342 2HG LYS 42 1HG LYS 42 -15.893 -6.794 -3.226 343 1HD LYS 42 2HD LYS 42 -16.512 -8.688 -2.060 344 2HD LYS 42 1HD LYS 42 -18.184 -8.156 -1.881 345 1HE LYS 42 2HE LYS 42 -18.724 -8.768 -4.133 346 2HE LYS 42 1HE LYS 42 -17.013 -8.983 -4.554 347 1HZ LYS 42 1HZ LYS 42 -18.015 -11.116 -4.050 348 2HZ LYS 42 2HZ LYS 42 -18.527 -10.550 -2.532 349 3HZ LYS 42 3HZ LYS 42 -16.869 -10.723 -2.864 350 H LEU 43 H LEU 43 -14.916 -4.485 0.512 351 HA LEU 43 HA LEU 43 -12.596 -5.232 -1.199 352 1HB LEU 43 2HB LEU 43 -13.320 -2.968 0.666 353 2HB LEU 43 1HB LEU 43 -11.662 -3.186 0.107 354 HG LEU 43 HG LEU 43 -13.956 -3.125 -1.846 355 1HD1 LEU 43 1HD1 LEU 43 -13.863 -0.780 -2.014 356 2HD1 LEU 43 2HD1 LEU 43 -12.329 -0.686 -1.148 357 3HD1 LEU 43 3HD1 LEU 43 -13.816 -1.054 -0.273 358 1HD2 LEU 43 1HD2 LEU 43 -12.055 -2.219 -3.286 359 2HD2 LEU 43 2HD2 LEU 43 -11.881 -3.897 -2.771 360 3HD2 LEU 43 3HD2 LEU 43 -10.970 -2.625 -1.956 361 H GLY 44 H GLY 44 -13.738 -5.183 2.148 362 1HA GLY 44 2HA GLY 44 -11.258 -6.059 3.347 363 2HA GLY 44 1HA GLY 44 -12.851 -6.139 4.107 364 H GLU 45 H GLU 45 -14.028 -7.676 1.897 365 HA GLU 45 HA GLU 45 -13.685 -10.332 2.811 366 1HB GLU 45 2HB GLU 45 -14.731 -8.976 0.354 367 2HB GLU 45 1HB GLU 45 -14.549 -10.729 0.318 368 1HG GLU 45 2HG GLU 45 -15.868 -10.849 2.451 369 2HG GLU 45 1HG GLU 45 -16.157 -9.114 2.315 370 H MET 46 H MET 46 -12.194 -8.738 -0.024 371 HA MET 46 HA MET 46 -10.552 -11.017 -0.762 372 1HB MET 46 2HB MET 46 -10.367 -8.041 -1.355 373 2HB MET 46 1HB MET 46 -9.454 -9.289 -2.202 374 1HG MET 46 2HG MET 46 -11.413 -10.241 -3.144 375 2HG MET 46 1HG MET 46 -12.467 -9.376 -2.026 376 1HE MET 46 1HE MET 46 -10.951 -8.153 -6.058 377 2HE MET 46 2HE MET 46 -11.829 -9.587 -5.532 378 3HE MET 46 3HE MET 46 -10.166 -9.339 -5.006 379 H TRP 47 H TRP 47 -9.886 -7.927 0.902 380 HA TRP 47 HA TRP 47 -7.149 -8.253 1.487 381 1HB TRP 47 2HB TRP 47 -8.649 -6.262 1.886 382 2HB TRP 47 1HB TRP 47 -9.281 -7.093 3.308 383 HD1 TRP 47 HD TRP 47 -7.962 -6.852 5.483 384 HE1 TRP 47 1HE TRP 47 -5.667 -5.872 6.130 385 HE3 TRP 47 3HE TRP 47 -6.063 -5.909 0.836 386 HZ2 TRP 47 2HZ TRP 47 -3.335 -4.825 4.846 387 HZ3 TRP 47 3HZ TRP 47 -3.806 -4.921 0.577 388 HH2 TRP 47 HH TRP 47 -2.440 -4.379 2.574 389 H SER 48 H SER 48 -9.847 -9.076 3.725 390 HA SER 48 HA SER 48 -8.251 -10.437 5.656 391 1HB SER 48 2HB SER 48 -10.561 -9.630 5.992 392 2HB SER 48 1HB SER 48 -11.151 -10.822 4.838 393 HG SER 48 HG SER 48 -11.045 -12.277 6.348 394 H GLU 49 H GLU 49 -9.797 -11.579 2.678 395 HA GLU 49 HA GLU 49 -9.557 -14.388 3.040 396 1HB GLU 49 2HB GLU 49 -9.830 -12.437 0.830 397 2HB GLU 49 1HB GLU 49 -9.156 -13.996 0.356 398 1HG GLU 49 2HG GLU 49 -11.062 -15.176 1.222 399 2HG GLU 49 1HG GLU 49 -11.680 -13.722 2.007 400 H GLN 50 H GLN 50 -7.192 -12.011 1.845 401 HA GLN 50 HA GLN 50 -5.148 -13.908 1.103 402 1HB GLN 50 2HB GLN 50 -5.236 -10.972 1.817 403 2HB GLN 50 1HB GLN 50 -3.721 -11.767 1.387 404 1HG GLN 50 2HG GLN 50 -6.146 -12.040 -0.379 405 2HG GLN 50 1HG GLN 50 -5.096 -10.630 -0.509 406 1HE2 GLN 50 1HE2 GLN 50 -5.566 -13.480 -2.017 407 2HE2 GLN 50 2HE2 GLN 50 -3.973 -13.877 -2.444 408 H SER 51 H SER 51 -3.034 -14.100 2.293 409 HA SER 51 HA SER 51 -3.156 -13.673 5.230 410 1HB SER 51 2HB SER 51 -2.797 -16.375 3.894 411 2HB SER 51 1HB SER 51 -2.723 -16.073 5.627 412 HG SER 51 HG SER 51 -4.903 -16.116 3.889 413 H ALA 52 H ALA 52 -1.257 -12.495 5.372 414 HA ALA 52 HA ALA 52 1.041 -11.970 5.217 415 1HB ALA 52 1HB ALA 52 2.431 -13.810 5.755 416 2HB ALA 52 2HB ALA 52 1.422 -14.944 4.856 417 3HB ALA 52 3HB ALA 52 0.853 -14.281 6.388 418 H LYS 53 H LYS 53 -0.276 -11.668 2.768 419 HA LYS 53 HA LYS 53 1.917 -12.291 0.863 420 1HB LYS 53 2HB LYS 53 -0.944 -13.247 0.746 421 2HB LYS 53 1HB LYS 53 0.004 -13.061 -0.729 422 1HG LYS 53 2HG LYS 53 1.741 -14.555 0.207 423 2HG LYS 53 1HG LYS 53 0.767 -14.763 1.663 424 1HD LYS 53 2HD LYS 53 0.200 -16.643 0.362 425 2HD LYS 53 1HD LYS 53 -1.113 -15.511 0.035 426 1HE LYS 53 2HE LYS 53 -0.193 -14.897 -2.087 427 2HE LYS 53 1HE LYS 53 1.356 -15.681 -1.718 428 1HZ LYS 53 1HZ LYS 53 -0.043 -17.118 -3.085 429 2HZ LYS 53 2HZ LYS 53 -1.273 -17.058 -1.913 430 3HZ LYS 53 3HZ LYS 53 0.212 -17.801 -1.553 431 H ASP 54 H ASP 54 -1.464 -11.113 0.709 432 HA ASP 54 HA ASP 54 -1.002 -9.075 -1.219 433 1HB ASP 54 2HB ASP 54 -3.168 -10.147 -0.286 434 2HB ASP 54 1HB ASP 54 -3.057 -8.934 0.990 435 H LYS 55 H LYS 55 -0.635 -9.041 2.311 436 HA LYS 55 HA LYS 55 -0.113 -6.118 2.296 437 1HB LYS 55 2HB LYS 55 -1.555 -7.421 3.973 438 2HB LYS 55 1HB LYS 55 -0.041 -8.037 4.629 439 1HG LYS 55 2HG LYS 55 0.605 -5.452 4.603 440 2HG LYS 55 1HG LYS 55 -1.146 -5.260 4.686 441 1HD LYS 55 2HD LYS 55 -1.243 -6.656 6.689 442 2HD LYS 55 1HD LYS 55 0.491 -6.966 6.584 443 1HE LYS 55 2HE LYS 55 -0.363 -4.103 6.628 444 2HE LYS 55 1HE LYS 55 -0.477 -5.013 8.148 445 1HZ LYS 55 1HZ LYS 55 1.740 -4.084 7.880 446 2HZ LYS 55 2HZ LYS 55 1.912 -4.867 6.382 447 3HZ LYS 55 3HZ LYS 55 1.799 -5.777 7.812 448 H GLN 56 H GLN 56 1.805 -8.317 1.192 449 HA GLN 56 HA GLN 56 4.124 -7.869 3.006 450 1HB GLN 56 2HB GLN 56 3.236 -9.899 1.081 451 2HB GLN 56 1HB GLN 56 4.942 -9.492 0.912 452 1HG GLN 56 2HG GLN 56 3.694 -10.107 3.597 453 2HG GLN 56 1HG GLN 56 4.382 -11.365 2.569 454 1HE2 GLN 56 1HE2 GLN 56 6.433 -11.851 3.370 455 2HE2 GLN 56 2HE2 GLN 56 7.585 -10.702 3.855 456 HA PRO 57 HA PRO 57 5.805 -6.003 -0.986 457 1HB PRO 57 2HB PRO 57 4.376 -6.030 -3.296 458 2HB PRO 57 1HB PRO 57 5.397 -7.387 -2.787 459 1HG PRO 57 2HG PRO 57 2.475 -7.111 -2.744 460 2HG PRO 57 1HG PRO 57 3.464 -8.565 -2.899 461 1HD PRO 57 2HD PRO 57 2.143 -7.660 -0.592 462 2HD PRO 57 1HD PRO 57 3.357 -8.953 -0.683 463 H TYR 58 H TYR 58 2.273 -5.586 -0.885 464 HA TYR 58 HA TYR 58 2.364 -2.786 -1.723 465 1HB TYR 58 2HB TYR 58 0.370 -4.842 -0.914 466 2HB TYR 58 1HB TYR 58 -0.117 -3.156 -0.738 467 HD1 TYR 58 1HD TYR 58 -0.167 -1.647 -2.705 468 HD2 TYR 58 2HD TYR 58 0.713 -5.834 -3.087 469 HE1 TYR 58 1HE TYR 58 -0.579 -1.511 -5.148 470 HE2 TYR 58 2HE TYR 58 0.301 -5.698 -5.529 471 HH TYR 58 HH TYR 58 -1.245 -3.929 -7.035 472 H GLU 59 H GLU 59 3.375 -4.108 1.140 473 HA GLU 59 HA GLU 59 2.112 -2.064 2.888 474 1HB GLU 59 2HB GLU 59 2.977 -3.466 4.675 475 2HB GLU 59 1HB GLU 59 2.241 -4.506 3.466 476 1HG GLU 59 2HG GLU 59 4.211 -5.656 3.565 477 2HG GLU 59 1HG GLU 59 4.817 -4.360 2.538 478 H GLN 60 H GLN 60 5.100 -2.719 1.217 479 HA GLN 60 HA GLN 60 6.803 -1.064 2.911 480 1HB GLN 60 2HB GLN 60 8.431 -1.494 1.110 481 2HB GLN 60 1HB GLN 60 7.590 -2.980 1.541 482 1HG GLN 60 2HG GLN 60 5.947 -2.027 -0.418 483 2HG GLN 60 1HG GLN 60 7.504 -1.420 -0.977 484 1HE2 GLN 60 1HE2 GLN 60 7.906 -2.920 -2.675 485 2HE2 GLN 60 2HE2 GLN 60 8.058 -4.592 -2.426 486 H LYS 61 H LYS 61 4.673 -0.519 0.185 487 HA LYS 61 HA LYS 61 5.742 1.891 -0.887 488 1HB LYS 61 2HB LYS 61 3.916 0.517 -1.855 489 2HB LYS 61 1HB LYS 61 2.857 1.005 -0.532 490 1HG LYS 61 2HG LYS 61 2.765 3.241 -1.269 491 2HG LYS 61 1HG LYS 61 4.207 3.066 -2.270 492 1HD LYS 61 2HD LYS 61 2.858 1.348 -3.624 493 2HD LYS 61 1HD LYS 61 1.439 1.970 -2.783 494 1HE LYS 61 2HE LYS 61 1.489 3.320 -4.709 495 2HE LYS 61 1HE LYS 61 2.388 4.321 -3.552 496 1HZ LYS 61 1HZ LYS 61 3.620 4.025 -5.634 497 2HZ LYS 61 2HZ LYS 61 3.601 2.341 -5.410 498 3HZ LYS 61 3HZ LYS 61 4.443 3.336 -4.321 499 H ALA 62 H ALA 62 3.406 1.402 1.781 500 HA ALA 62 HA ALA 62 3.124 4.226 2.379 501 1HB ALA 62 1HB ALA 62 1.367 2.785 3.034 502 2HB ALA 62 2HB ALA 62 2.186 3.149 4.554 503 3HB ALA 62 3HB ALA 62 2.478 1.611 3.740 504 H ALA 63 H ALA 63 5.679 2.015 2.953 505 HA ALA 63 HA ALA 63 6.595 3.248 5.469 506 1HB ALA 63 1HB ALA 63 6.800 0.803 4.781 507 2HB ALA 63 2HB ALA 63 8.298 1.553 5.335 508 3HB ALA 63 3HB ALA 63 8.012 1.321 3.610 509 H LYS 64 H LYS 64 6.602 4.311 2.324 510 HA LYS 64 HA LYS 64 9.350 5.473 2.428 511 1HB LYS 64 2HB LYS 64 7.258 4.993 0.295 512 2HB LYS 64 1HB LYS 64 8.667 6.005 -0.002 513 1HG LYS 64 2HG LYS 64 8.913 3.195 1.077 514 2HG LYS 64 1HG LYS 64 8.875 3.528 -0.654 515 1HD LYS 64 2HD LYS 64 10.853 4.899 -0.513 516 2HD LYS 64 1HD LYS 64 10.827 4.847 1.250 517 1HE LYS 64 2HE LYS 64 12.466 3.227 0.624 518 2HE LYS 64 1HE LYS 64 11.014 2.268 0.976 519 1HZ LYS 64 1HZ LYS 64 11.934 1.659 -1.176 520 2HZ LYS 64 2HZ LYS 64 11.825 3.271 -1.703 521 3HZ LYS 64 3HZ LYS 64 10.414 2.387 -1.367 522 H LEU 65 H LEU 65 5.919 6.222 2.274 523 HA LEU 65 HA LEU 65 6.285 9.116 2.012 524 1HB LEU 65 2HB LEU 65 4.025 7.170 2.409 525 2HB LEU 65 1HB LEU 65 3.731 8.899 2.585 526 HG LEU 65 HG LEU 65 5.049 9.011 0.282 527 1HD1 LEU 65 1HD1 LEU 65 4.048 6.173 0.498 528 2HD1 LEU 65 2HD1 LEU 65 5.629 6.741 -0.037 529 3HD1 LEU 65 3HD1 LEU 65 4.217 6.962 -1.070 530 1HD2 LEU 65 1HD2 LEU 65 2.613 9.604 0.851 531 2HD2 LEU 65 2HD2 LEU 65 2.204 7.987 0.280 532 3HD2 LEU 65 3HD2 LEU 65 2.941 9.150 -0.821 533 H LYS 66 H LYS 66 6.921 7.125 4.593 534 HA LYS 66 HA LYS 66 5.704 8.871 6.667 535 1HB LYS 66 2HB LYS 66 5.675 6.306 6.650 536 2HB LYS 66 1HB LYS 66 7.404 6.385 6.990 537 1HG LYS 66 2HG LYS 66 7.024 7.569 9.052 538 2HG LYS 66 1HG LYS 66 5.314 7.780 8.678 539 1HD LYS 66 2HD LYS 66 4.999 5.327 8.751 540 2HD LYS 66 1HD LYS 66 6.704 5.128 9.157 541 1HE LYS 66 2HE LYS 66 6.377 6.439 11.227 542 2HE LYS 66 1HE LYS 66 4.660 6.642 10.824 543 1HZ LYS 66 1HZ LYS 66 4.966 4.726 12.263 544 2HZ LYS 66 2HZ LYS 66 6.075 4.050 11.168 545 3HZ LYS 66 3HZ LYS 66 4.444 4.228 10.727 546 H GLU 67 H GLU 67 8.784 8.079 5.165 547 HA GLU 67 HA GLU 67 10.392 9.430 7.225 548 1HB GLU 67 2HB GLU 67 10.787 7.923 4.672 549 2HB GLU 67 1HB GLU 67 12.090 8.989 5.204 550 1HG GLU 67 2HG GLU 67 12.261 7.845 7.321 551 2HG GLU 67 1HG GLU 67 10.809 6.902 6.986 552 H LYS 68 H LYS 68 8.638 10.372 4.402 553 HA LYS 68 HA LYS 68 10.279 12.843 4.048 554 1HB LYS 68 2HB LYS 68 8.366 11.209 2.416 555 2HB LYS 68 1HB LYS 68 8.528 12.924 2.040 556 1HG LYS 68 2HG LYS 68 10.979 11.213 2.376 557 2HG LYS 68 1HG LYS 68 10.109 11.226 0.842 558 1HD LYS 68 2HD LYS 68 10.240 13.823 1.069 559 2HD LYS 68 1HD LYS 68 11.537 13.489 2.218 560 1HE LYS 68 2HE LYS 68 12.918 12.532 0.580 561 2HE LYS 68 1HE LYS 68 11.552 12.167 -0.494 562 1HZ LYS 68 1HZ LYS 68 12.810 14.148 -1.209 563 2HZ LYS 68 2HZ LYS 68 12.424 14.906 0.262 564 3HZ LYS 68 3HZ LYS 68 11.194 14.504 -0.839 565 H TYR 69 H TYR 69 7.117 11.640 5.009 566 HA TYR 69 HA TYR 69 5.780 14.229 5.048 567 1HB TYR 69 2HB TYR 69 4.520 12.188 4.761 568 2HB TYR 69 1HB TYR 69 5.238 11.471 6.199 569 HD1 TYR 69 1HD TYR 69 3.522 11.139 7.748 570 HD2 TYR 69 2HD TYR 69 3.732 14.870 5.628 571 HE1 TYR 69 1HE TYR 69 1.666 12.029 9.130 572 HE2 TYR 69 2HE TYR 69 1.873 15.756 7.010 573 HH TYR 69 HH TYR 69 -0.202 14.060 8.606 574 H GLU 70 H GLU 70 6.982 12.043 7.627 575 HA GLU 70 HA GLU 70 6.525 13.843 9.804 576 1HB GLU 70 2HB GLU 70 8.362 11.487 9.335 577 2HB GLU 70 1HB GLU 70 8.236 12.284 10.904 578 1HG GLU 70 2HG GLU 70 5.790 11.307 9.429 579 2HG GLU 70 1HG GLU 70 6.706 10.248 10.502 580 H LYS 71 H LYS 71 8.944 13.957 7.333 581 HA LYS 71 HA LYS 71 10.732 15.628 9.052 582 1HB LYS 71 2HB LYS 71 11.048 13.979 6.549 583 2HB LYS 71 1HB LYS 71 12.250 15.197 6.975 584 1HG LYS 71 2HG LYS 71 11.360 13.212 9.045 585 2HG LYS 71 1HG LYS 71 12.548 12.731 7.834 586 1HD LYS 71 2HD LYS 71 13.684 15.028 8.518 587 2HD LYS 71 1HD LYS 71 12.782 14.772 10.013 588 1HE LYS 71 2HE LYS 71 14.390 12.500 8.867 589 2HE LYS 71 1HE LYS 71 15.202 13.764 9.810 590 1HZ LYS 71 1HZ LYS 71 12.814 12.217 10.669 591 2HZ LYS 71 2HZ LYS 71 13.550 13.463 11.559 592 3HZ LYS 71 3HZ LYS 71 14.389 12.015 11.266 593 H ASP 72 H ASP 72 8.831 15.638 6.056 594 HA ASP 72 HA ASP 72 9.755 18.346 5.324 595 1HB ASP 72 2HB ASP 72 9.292 16.387 3.758 596 2HB ASP 72 1HB ASP 72 7.579 16.647 4.087 597 H ILE 73 H ILE 73 6.796 16.797 6.583 598 HA ILE 73 HA ILE 73 5.102 19.099 6.343 599 HB ILE 73 HB ILE 73 4.599 16.579 6.746 600 1HG1 ILE 73 2HG1 ILE 73 2.507 17.317 8.145 601 2HG1 ILE 73 1HG1 ILE 73 3.163 18.940 7.916 602 1HG2 ILE 73 1HG2 ILE 73 4.550 17.424 9.645 603 2HG2 ILE 73 2HG2 ILE 73 5.949 16.606 8.949 604 3HG2 ILE 73 3HG2 ILE 73 4.379 15.802 8.972 605 1HD1 ILE 73 1HD1 ILE 73 2.669 16.988 5.650 606 2HD1 ILE 73 2HD1 ILE 73 3.117 18.688 5.508 607 3HD1 ILE 73 3HD1 ILE 73 1.527 18.243 6.129 608 H ALA 74 H ALA 74 7.655 18.376 8.580 609 HA ALA 74 HA ALA 74 6.750 19.946 10.831 610 1HB ALA 74 1HB ALA 74 9.513 19.161 9.839 611 2HB ALA 74 2HB ALA 74 8.509 18.234 10.955 612 3HB ALA 74 3HB ALA 74 9.166 19.794 11.449 613 H ALA 75 H ALA 75 8.900 20.663 8.068 614 HA ALA 75 HA ALA 75 9.116 23.503 8.836 615 1HB ALA 75 1HB ALA 75 10.079 21.970 6.399 616 2HB ALA 75 2HB ALA 75 10.989 22.134 7.901 617 3HB ALA 75 3HB ALA 75 10.643 23.557 6.919 618 H TYR 76 H TYR 76 7.278 21.493 6.620 619 HA TYR 76 HA TYR 76 6.439 23.467 4.730 620 1HB TYR 76 2HB TYR 76 6.193 20.961 4.608 621 2HB TYR 76 1HB TYR 76 4.900 21.079 5.803 622 HD1 TYR 76 1HD TYR 76 2.709 21.286 5.036 623 HD2 TYR 76 2HD TYR 76 5.938 22.636 2.546 624 HE1 TYR 76 1HE TYR 76 1.092 21.830 3.236 625 HE2 TYR 76 2HE TYR 76 4.321 23.179 0.745 626 HH TYR 76 HH TYR 76 1.267 23.666 1.104 627 H ARG 77 H ARG 77 4.836 22.315 7.723 628 HA ARG 77 HA ARG 77 3.040 24.705 7.622 629 1HB ARG 77 2HB ARG 77 2.938 21.959 8.866 630 2HB ARG 77 1HB ARG 77 1.845 23.235 9.406 631 1HG ARG 77 2HG ARG 77 0.836 23.431 7.271 632 2HG ARG 77 1HG ARG 77 2.141 22.545 6.481 633 1HD ARG 77 2HD ARG 77 1.445 20.463 7.461 634 2HD ARG 77 1HD ARG 77 0.315 21.287 8.555 635 HE ARG 77 HE ARG 77 -0.076 20.897 5.646 636 1HH1 ARG 77 1HH2 ARG 77 -2.008 20.376 8.014 637 2HH1 ARG 77 2HH2 ARG 77 -3.166 21.637 7.747 638 1HH2 ARG 77 1HH1 ARG 77 -1.143 23.396 5.548 639 2HH2 ARG 77 2HH1 ARG 77 -2.676 23.346 6.351 640 H ALA 78 H ALA 78 5.977 24.112 8.902 641 HA ALA 78 HA ALA 78 7.163 24.929 10.766 642 1HB ALA 78 1HB ALA 78 4.788 26.704 11.302 643 2HB ALA 78 2HB ALA 78 5.742 26.933 9.837 644 3HB ALA 78 3HB ALA 78 6.505 27.089 11.419 645 H LYS 79 H LYS 79 6.462 22.669 11.618 646 HA LYS 79 HA LYS 79 4.558 22.871 13.913 647 1HB LYS 79 2HB LYS 79 4.812 21.060 11.891 648 2HB LYS 79 1HB LYS 79 5.797 20.292 13.135 649 1HG LYS 79 2HG LYS 79 3.748 19.455 13.762 650 2HG LYS 79 1HG LYS 79 3.697 20.974 14.657 651 1HD LYS 79 2HD LYS 79 2.749 21.824 12.269 652 2HD LYS 79 1HD LYS 79 2.188 20.152 12.233 653 1HE LYS 79 2HE LYS 79 1.232 20.531 14.563 654 2HE LYS 79 1HE LYS 79 1.575 22.257 14.329 655 1HZ LYS 79 1HZ LYS 79 -0.675 21.615 13.572 656 2HZ LYS 79 2HZ LYS 79 0.029 20.576 12.427 657 3HZ LYS 79 3HZ LYS 79 0.282 22.252 12.325 Start of MODEL 18 1 1H MET 1 1HT MET 1 -13.234 23.779 -3.265 2 2H MET 1 2HT MET 1 -13.867 22.575 -4.282 3 3H MET 1 3HT MET 1 -12.518 23.484 -4.772 4 HA MET 1 HA MET 1 -12.580 21.560 -2.500 5 1HB MET 1 2HB MET 1 -12.720 20.841 -5.001 6 2HB MET 1 1HB MET 1 -11.046 21.391 -5.092 7 1HG MET 1 2HG MET 1 -10.494 19.890 -3.170 8 2HG MET 1 1HG MET 1 -12.147 19.277 -3.218 9 1HE MET 1 1HE MET 1 -8.925 19.910 -4.880 10 2HE MET 1 2HE MET 1 -8.660 18.595 -6.021 11 3HE MET 1 3HE MET 1 -8.643 18.266 -4.291 12 H LYS 2 H LYS 2 -10.970 21.970 -1.044 13 HA LYS 2 HA LYS 2 -8.761 23.833 -1.848 14 1HB LYS 2 2HB LYS 2 -10.375 23.346 0.631 15 2HB LYS 2 1HB LYS 2 -8.732 23.964 0.807 16 1HG LYS 2 2HG LYS 2 -9.874 25.964 0.594 17 2HG LYS 2 1HG LYS 2 -9.537 25.633 -1.106 18 1HD LYS 2 2HD LYS 2 -11.853 26.148 -1.048 19 2HD LYS 2 1HD LYS 2 -11.793 24.387 -1.128 20 1HE LYS 2 2HE LYS 2 -11.697 24.846 1.595 21 2HE LYS 2 1HE LYS 2 -12.783 26.126 1.020 22 1HZ LYS 2 1HZ LYS 2 -14.009 24.073 1.393 23 2HZ LYS 2 2HZ LYS 2 -12.981 23.243 0.326 24 3HZ LYS 2 3HZ LYS 2 -14.002 24.469 -0.256 25 H LYS 3 H LYS 3 -6.634 23.355 -0.850 26 HA LYS 3 HA LYS 3 -6.114 20.827 0.451 27 1HB LYS 3 2HB LYS 3 -6.615 20.595 -2.204 28 2HB LYS 3 1HB LYS 3 -4.879 20.904 -2.252 29 1HG LYS 3 2HG LYS 3 -4.491 19.055 -0.678 30 2HG LYS 3 1HG LYS 3 -6.227 18.753 -0.592 31 1HD LYS 3 2HD LYS 3 -5.935 18.646 -3.257 32 2HD LYS 3 1HD LYS 3 -4.305 18.158 -2.792 33 1HE LYS 3 2HE LYS 3 -5.582 16.552 -1.120 34 2HE LYS 3 1HE LYS 3 -6.912 16.761 -2.276 35 1HZ LYS 3 1HZ LYS 3 -4.133 15.921 -2.914 36 2HZ LYS 3 2HZ LYS 3 -5.331 16.251 -4.072 37 3HZ LYS 3 3HZ LYS 3 -5.521 14.949 -2.998 38 H LYS 4 H LYS 4 -3.894 20.676 1.101 39 HA LYS 4 HA LYS 4 -2.503 23.118 1.538 40 1HB LYS 4 2HB LYS 4 -1.787 20.186 1.634 41 2HB LYS 4 1HB LYS 4 -0.598 21.424 2.042 42 1HG LYS 4 2HG LYS 4 -1.505 21.128 4.135 43 2HG LYS 4 1HG LYS 4 -2.648 22.325 3.524 44 1HD LYS 4 2HD LYS 4 -4.291 20.703 3.059 45 2HD LYS 4 1HD LYS 4 -3.123 19.381 3.091 46 1HE LYS 4 2HE LYS 4 -4.305 19.216 5.167 47 2HE LYS 4 1HE LYS 4 -2.772 20.007 5.584 48 1HZ LYS 4 1HZ LYS 4 -3.836 22.155 5.314 49 2HZ LYS 4 2HZ LYS 4 -4.669 21.236 6.475 50 3HZ LYS 4 3HZ LYS 4 -5.305 21.409 4.909 51 H ASP 5 H ASP 5 -1.169 20.418 -0.385 52 HA ASP 5 HA ASP 5 -0.612 22.126 -2.701 53 1HB ASP 5 2HB ASP 5 1.336 21.611 -0.514 54 2HB ASP 5 1HB ASP 5 1.963 21.469 -2.157 55 HA PRO 6 HA PRO 6 -0.475 18.116 -4.542 56 1HB PRO 6 2HB PRO 6 1.058 18.572 -6.762 57 2HB PRO 6 1HB PRO 6 -0.615 19.144 -6.610 58 1HG PRO 6 2HG PRO 6 1.934 20.636 -6.260 59 2HG PRO 6 1HG PRO 6 0.410 21.160 -6.993 60 1HD PRO 6 2HD PRO 6 1.194 21.857 -4.473 61 2HD PRO 6 1HD PRO 6 -0.506 21.747 -4.983 62 H ASN 7 H ASN 7 2.704 19.764 -4.545 63 HA ASN 7 HA ASN 7 4.185 17.237 -4.437 64 1HB ASN 7 2HB ASN 7 4.812 19.493 -5.524 65 2HB ASN 7 1HB ASN 7 5.218 20.022 -3.890 66 1HD2 ASN 7 1HD2 ASN 7 7.449 19.859 -3.632 67 2HD2 ASN 7 2HD2 ASN 7 8.397 18.554 -4.160 68 H ALA 8 H ALA 8 2.411 18.788 -2.081 69 HA ALA 8 HA ALA 8 4.373 18.440 0.113 70 1HB ALA 8 1HB ALA 8 2.545 19.498 1.424 71 2HB ALA 8 2HB ALA 8 1.499 19.415 0.008 72 3HB ALA 8 3HB ALA 8 2.935 20.439 -0.015 73 HA PRO 9 HA PRO 9 2.635 14.439 0.985 74 1HB PRO 9 2HB PRO 9 3.724 14.018 3.451 75 2HB PRO 9 1HB PRO 9 4.669 13.910 1.955 76 1HG PRO 9 2HG PRO 9 4.579 16.061 3.985 77 2HG PRO 9 1HG PRO 9 5.921 15.516 2.972 78 1HD PRO 9 2HD PRO 9 4.377 17.784 2.527 79 2HD PRO 9 1HD PRO 9 5.404 16.981 1.322 80 H LYS 10 H LYS 10 0.400 15.274 1.203 81 HA LYS 10 HA LYS 10 -0.410 15.879 3.987 82 1HB LYS 10 2HB LYS 10 -2.331 17.003 2.941 83 2HB LYS 10 1HB LYS 10 -0.823 17.596 2.251 84 1HG LYS 10 2HG LYS 10 -1.499 15.383 0.660 85 2HG LYS 10 1HG LYS 10 -3.028 16.212 0.942 86 1HD LYS 10 2HD LYS 10 -2.179 18.271 0.056 87 2HD LYS 10 1HD LYS 10 -0.527 17.653 0.034 88 1HE LYS 10 2HE LYS 10 -2.546 16.080 -1.496 89 2HE LYS 10 1HE LYS 10 -2.063 17.646 -2.177 90 1HZ LYS 10 1HZ LYS 10 -0.187 15.547 -1.223 91 2HZ LYS 10 2HZ LYS 10 0.244 17.034 -1.923 92 3HZ LYS 10 3HZ LYS 10 -0.550 15.852 -2.851 93 H ARG 11 H ARG 11 0.009 13.176 2.738 94 HA ARG 11 HA ARG 11 -2.492 11.953 3.705 95 1HB ARG 11 2HB ARG 11 -2.891 12.651 1.325 96 2HB ARG 11 1HB ARG 11 -1.559 11.602 0.838 97 1HG ARG 11 2HG ARG 11 -2.749 9.674 1.231 98 2HG ARG 11 1HG ARG 11 -3.667 10.391 2.555 99 1HD ARG 11 2HD ARG 11 -4.218 11.645 -0.051 100 2HD ARG 11 1HD ARG 11 -4.686 9.938 0.037 101 HE ARG 11 HE ARG 11 -5.494 11.202 2.462 102 1HH1 ARG 11 1HH2 ARG 11 -6.930 9.691 0.021 103 2HH1 ARG 11 2HH2 ARG 11 -8.253 10.784 -0.205 104 1HH2 ARG 11 1HH1 ARG 11 -6.877 13.278 1.772 105 2HH2 ARG 11 2HH1 ARG 11 -8.223 12.816 0.786 106 HA PRO 12 HA PRO 12 1.193 9.335 4.399 107 1HB PRO 12 2HB PRO 12 0.451 8.428 6.864 108 2HB PRO 12 1HB PRO 12 1.291 9.970 6.612 109 1HG PRO 12 2HG PRO 12 -1.569 9.444 7.170 110 2HG PRO 12 1HG PRO 12 -0.546 10.800 7.656 111 1HD PRO 12 2HD PRO 12 -2.390 10.863 5.598 112 2HD PRO 12 1HD PRO 12 -1.030 11.989 5.789 113 HA PRO 13 HA PRO 13 -1.508 5.908 3.172 114 1HB PRO 13 2HB PRO 13 0.366 4.537 1.729 115 2HB PRO 13 1HB PRO 13 -0.516 5.933 1.084 116 1HG PRO 13 2HG PRO 13 2.272 5.737 2.021 117 2HG PRO 13 1HG PRO 13 1.554 6.818 0.822 118 1HD PRO 13 2HD PRO 13 2.219 7.466 3.472 119 2HD PRO 13 1HD PRO 13 1.237 8.442 2.364 120 H SER 14 H SER 14 -1.392 3.502 3.595 121 HA SER 14 HA SER 14 0.785 2.551 5.350 122 1HB SER 14 2HB SER 14 -0.704 2.226 7.258 123 2HB SER 14 1HB SER 14 -0.766 3.916 6.762 124 HG SER 14 HG SER 14 -2.764 3.648 6.082 125 H ALA 15 H ALA 15 0.189 1.445 2.910 126 HA ALA 15 HA ALA 15 -0.222 -0.629 1.913 127 1HB ALA 15 1HB ALA 15 -1.253 -2.097 4.181 128 2HB ALA 15 2HB ALA 15 0.139 -1.141 4.687 129 3HB ALA 15 3HB ALA 15 0.294 -2.288 3.358 130 H PHE 16 H PHE 16 -2.710 -0.792 4.488 131 HA PHE 16 HA PHE 16 -4.868 -1.626 2.944 132 1HB PHE 16 2HB PHE 16 -4.615 -1.224 5.453 133 2HB PHE 16 1HB PHE 16 -5.040 0.455 5.128 134 HD1 PHE 16 1HD PHE 16 -7.296 1.095 4.967 135 HD2 PHE 16 2HD PHE 16 -6.231 -3.043 4.544 136 HE1 PHE 16 1HE PHE 16 -9.698 0.482 4.914 137 HE2 PHE 16 2HE PHE 16 -8.633 -3.657 4.493 138 HZ PHE 16 HZ PHE 16 -10.367 -1.895 4.676 139 H PHE 17 H PHE 17 -4.044 1.790 3.657 140 HA PHE 17 HA PHE 17 -6.093 3.024 2.118 141 1HB PHE 17 2HB PHE 17 -4.235 3.909 3.776 142 2HB PHE 17 1HB PHE 17 -3.304 4.139 2.296 143 HD1 PHE 17 1HD PHE 17 -6.316 5.159 4.166 144 HD2 PHE 17 2HD PHE 17 -3.964 5.778 0.625 145 HE1 PHE 17 1HE PHE 17 -7.566 7.250 3.701 146 HE2 PHE 17 2HE PHE 17 -5.214 7.869 0.159 147 HZ PHE 17 HZ PHE 17 -7.015 8.606 1.698 148 H LEU 18 H LEU 18 -2.844 1.902 1.190 149 HA LEU 18 HA LEU 18 -2.848 2.872 -1.503 150 1HB LEU 18 2HB LEU 18 -1.515 0.400 -0.344 151 2HB LEU 18 1HB LEU 18 -1.008 1.279 -1.781 152 HG LEU 18 HG LEU 18 -0.970 2.308 1.078 153 1HD1 LEU 18 1HD1 LEU 18 0.881 0.850 0.680 154 2HD1 LEU 18 2HD1 LEU 18 1.504 2.492 0.520 155 3HD1 LEU 18 3HD1 LEU 18 1.162 1.534 -0.921 156 1HD2 LEU 18 1HD2 LEU 18 0.356 4.203 -0.241 157 2HD2 LEU 18 2HD2 LEU 18 -1.400 4.276 -0.096 158 3HD2 LEU 18 3HD2 LEU 18 -0.662 3.672 -1.580 159 H PHE 19 H PHE 19 -3.822 -0.284 -0.120 160 HA PHE 19 HA PHE 19 -4.495 -1.534 -2.619 161 1HB PHE 19 2HB PHE 19 -4.061 -2.632 -0.398 162 2HB PHE 19 1HB PHE 19 -5.620 -2.024 0.157 163 HD1 PHE 19 1HD PHE 19 -3.955 -4.257 -2.293 164 HD2 PHE 19 2HD PHE 19 -7.682 -3.033 -0.545 165 HE1 PHE 19 1HE PHE 19 -5.086 -6.192 -3.354 166 HE2 PHE 19 2HE PHE 19 -8.814 -4.969 -1.604 167 HZ PHE 19 HZ PHE 19 -7.517 -6.548 -3.009 168 H CYS 20 H CYS 20 -6.584 -0.012 -0.132 169 HA CYS 20 HA CYS 20 -9.024 -0.240 -1.660 170 1HB CYS 20 2HB CYS 20 -8.784 0.096 0.817 171 2HB CYS 20 1HB CYS 20 -8.250 1.748 0.501 172 HG CYS 20 HG CYS 20 -10.990 1.340 0.884 173 H SER 21 H SER 21 -6.360 1.999 -1.767 174 HA SER 21 HA SER 21 -7.762 4.236 -2.958 175 1HB SER 21 2HB SER 21 -4.943 3.359 -2.496 176 2HB SER 21 1HB SER 21 -5.224 4.675 -3.632 177 HG SER 21 HG SER 21 -4.942 5.234 -1.327 178 H GLU 22 H GLU 22 -6.474 1.245 -4.306 179 HA GLU 22 HA GLU 22 -6.964 2.383 -7.041 180 1HB GLU 22 2HB GLU 22 -5.082 0.960 -7.773 181 2HB GLU 22 1HB GLU 22 -4.585 2.095 -6.520 182 1HG GLU 22 2HG GLU 22 -4.783 0.336 -4.820 183 2HG GLU 22 1HG GLU 22 -5.346 -0.803 -6.042 184 H TYR 23 H TYR 23 -7.761 -0.230 -4.858 185 HA TYR 23 HA TYR 23 -8.505 -2.080 -7.031 186 1HB TYR 23 2HB TYR 23 -8.335 -2.056 -4.054 187 2HB TYR 23 1HB TYR 23 -9.432 -3.220 -4.791 188 HD1 TYR 23 1HD TYR 23 -5.905 -2.086 -4.621 189 HD2 TYR 23 2HD TYR 23 -8.614 -5.094 -6.062 190 HE1 TYR 23 1HE TYR 23 -3.983 -3.542 -5.197 191 HE2 TYR 23 2HE TYR 23 -6.690 -6.549 -6.638 192 HH TYR 23 HH TYR 23 -4.295 -6.812 -5.886 193 H ARG 24 H ARG 24 -9.969 0.667 -6.317 194 HA ARG 24 HA ARG 24 -12.688 -0.358 -5.816 195 1HB ARG 24 2HB ARG 24 -11.532 2.416 -6.153 196 2HB ARG 24 1HB ARG 24 -13.218 2.065 -5.759 197 1HG ARG 24 2HG ARG 24 -12.490 0.848 -3.736 198 2HG ARG 24 1HG ARG 24 -10.813 1.241 -4.114 199 1HD ARG 24 2HD ARG 24 -11.307 3.002 -2.672 200 2HD ARG 24 1HD ARG 24 -11.832 3.729 -4.204 201 HE ARG 24 HE ARG 24 -13.778 2.159 -2.573 202 1HH1 ARG 24 1HH2 ARG 24 -13.890 4.044 -5.179 203 2HH1 ARG 24 2HH2 ARG 24 -14.877 5.309 -4.525 204 1HH2 ARG 24 1HH1 ARG 24 -14.549 4.228 -1.246 205 2HH2 ARG 24 2HH1 ARG 24 -15.249 5.413 -2.298 206 HA PRO 25 HA PRO 25 -13.299 1.640 -10.153 207 1HB PRO 25 2HB PRO 25 -11.120 1.757 -11.808 208 2HB PRO 25 1HB PRO 25 -11.653 3.107 -10.787 209 1HG PRO 25 2HG PRO 25 -9.460 1.151 -10.346 210 2HG PRO 25 1HG PRO 25 -9.517 2.885 -9.992 211 1HD PRO 25 2HD PRO 25 -9.822 0.971 -8.117 212 2HD PRO 25 1HD PRO 25 -10.574 2.571 -7.977 213 H LYS 26 H LYS 26 -11.274 -1.038 -9.346 214 HA LYS 26 HA LYS 26 -11.634 -2.579 -11.797 215 1HB LYS 26 2HB LYS 26 -9.842 -2.835 -9.990 216 2HB LYS 26 1HB LYS 26 -11.107 -3.509 -8.957 217 1HG LYS 26 2HG LYS 26 -10.678 -4.637 -11.711 218 2HG LYS 26 1HG LYS 26 -9.621 -5.133 -10.389 219 1HD LYS 26 2HD LYS 26 -11.842 -5.532 -9.079 220 2HD LYS 26 1HD LYS 26 -12.589 -5.533 -10.677 221 1HE LYS 26 2HE LYS 26 -12.063 -7.814 -10.348 222 2HE LYS 26 1HE LYS 26 -10.667 -7.231 -11.277 223 1HZ LYS 26 1HZ LYS 26 -9.526 -6.761 -9.192 224 2HZ LYS 26 2HZ LYS 26 -9.939 -8.406 -9.291 225 3HZ LYS 26 3HZ LYS 26 -10.849 -7.356 -8.312 226 H ILE 27 H ILE 27 -12.995 -2.745 -8.502 227 HA ILE 27 HA ILE 27 -15.002 -4.667 -8.815 228 HB ILE 27 HB ILE 27 -15.148 -2.035 -7.294 229 1HG1 ILE 27 2HG1 ILE 27 -13.087 -3.141 -6.651 230 2HG1 ILE 27 1HG1 ILE 27 -14.256 -3.375 -5.365 231 1HG2 ILE 27 1HG2 ILE 27 -16.553 -3.395 -5.717 232 2HG2 ILE 27 2HG2 ILE 27 -16.546 -4.688 -6.916 233 3HG2 ILE 27 3HG2 ILE 27 -17.284 -3.134 -7.301 234 1HD1 ILE 27 1HD1 ILE 27 -13.402 -5.372 -7.460 235 2HD1 ILE 27 2HD1 ILE 27 -14.824 -5.602 -6.441 236 3HD1 ILE 27 3HD1 ILE 27 -13.223 -5.492 -5.709 237 H LYS 28 H LYS 28 -14.930 -1.362 -9.996 238 HA LYS 28 HA LYS 28 -17.809 -1.185 -10.456 239 1HB LYS 28 2HB LYS 28 -15.816 0.561 -11.881 240 2HB LYS 28 1HB LYS 28 -17.369 0.989 -11.177 241 1HG LYS 28 2HG LYS 28 -14.744 0.553 -9.785 242 2HG LYS 28 1HG LYS 28 -15.703 2.014 -9.816 243 1HD LYS 28 2HD LYS 28 -16.400 -0.569 -8.374 244 2HD LYS 28 1HD LYS 28 -15.909 0.950 -7.634 245 1HE LYS 28 2HE LYS 28 -18.371 0.711 -9.399 246 2HE LYS 28 1HE LYS 28 -18.420 0.558 -7.631 247 1HZ LYS 28 1HZ LYS 28 -17.197 2.702 -7.525 248 2HZ LYS 28 2HZ LYS 28 -18.763 2.845 -8.169 249 3HZ LYS 28 3HZ LYS 28 -17.412 2.870 -9.199 250 H SER 29 H SER 29 -14.993 -2.125 -12.354 251 HA SER 29 HA SER 29 -16.241 -2.088 -14.949 252 1HB SER 29 2HB SER 29 -13.780 -2.188 -14.372 253 2HB SER 29 1HB SER 29 -14.014 -3.874 -13.920 254 HG SER 29 HG SER 29 -14.025 -2.654 -16.421 255 H GLU 30 H GLU 30 -16.434 -4.327 -12.267 256 HA GLU 30 HA GLU 30 -17.905 -6.273 -14.016 257 1HB GLU 30 2HB GLU 30 -15.884 -6.495 -11.848 258 2HB GLU 30 1HB GLU 30 -17.160 -7.711 -11.844 259 1HG GLU 30 2HG GLU 30 -15.672 -7.034 -14.378 260 2HG GLU 30 1HG GLU 30 -15.026 -8.208 -13.231 261 H HIS 31 H HIS 31 -18.182 -4.124 -11.327 262 HA HIS 31 HA HIS 31 -20.850 -5.330 -10.681 263 1HB HIS 31 2HB HIS 31 -18.958 -4.031 -8.691 264 2HB HIS 31 1HB HIS 31 -20.450 -4.889 -8.332 265 HD1 HIS 31 1HD HIS 31 -16.848 -5.407 -8.878 266 HD2 HIS 31 2HD HIS 31 -20.275 -7.779 -8.853 267 HE1 HIS 31 1HE HIS 31 -16.056 -7.806 -8.730 268 HA PRO 32 HA PRO 32 -21.434 -0.945 -11.810 269 1HB PRO 32 2HB PRO 32 -23.928 -1.270 -12.887 270 2HB PRO 32 1HB PRO 32 -22.436 -1.555 -13.798 271 1HG PRO 32 2HG PRO 32 -24.303 -3.503 -12.578 272 2HG PRO 32 1HG PRO 32 -23.337 -3.632 -14.056 273 1HD PRO 32 2HD PRO 32 -22.704 -4.820 -11.649 274 2HD PRO 32 1HD PRO 32 -21.548 -4.484 -12.955 275 H GLY 33 H GLY 33 -23.696 -3.184 -10.263 276 1HA GLY 33 2HA GLY 33 -25.243 -1.089 -8.964 277 2HA GLY 33 1HA GLY 33 -25.342 -2.816 -8.627 278 H LEU 34 H LEU 34 -22.212 -2.591 -8.320 279 HA LEU 34 HA LEU 34 -22.064 -2.653 -5.496 280 1HB LEU 34 2HB LEU 34 -20.350 -2.826 -7.772 281 2HB LEU 34 1HB LEU 34 -19.608 -1.681 -6.663 282 HG LEU 34 HG LEU 34 -18.884 -4.034 -6.262 283 1HD1 LEU 34 1HD1 LEU 34 -18.791 -3.729 -3.985 284 2HD1 LEU 34 2HD1 LEU 34 -20.499 -3.306 -3.863 285 3HD1 LEU 34 3HD1 LEU 34 -19.337 -2.120 -4.458 286 1HD2 LEU 34 1HD2 LEU 34 -21.399 -4.798 -4.932 287 2HD2 LEU 34 2HD2 LEU 34 -20.347 -5.750 -5.978 288 3HD2 LEU 34 3HD2 LEU 34 -21.544 -4.666 -6.685 289 H SER 35 H SER 35 -23.270 -0.786 -4.716 290 HA SER 35 HA SER 35 -22.377 1.938 -5.333 291 1HB SER 35 2HB SER 35 -24.098 2.490 -3.625 292 2HB SER 35 1HB SER 35 -24.717 1.346 -4.813 293 HG SER 35 HG SER 35 -25.201 0.302 -3.021 294 H ILE 36 H ILE 36 -21.731 3.403 -3.416 295 HA ILE 36 HA ILE 36 -19.297 2.654 -2.238 296 HB ILE 36 HB ILE 36 -21.456 4.563 -1.278 297 1HG1 ILE 36 2HG1 ILE 36 -20.595 5.022 -3.549 298 2HG1 ILE 36 1HG1 ILE 36 -20.064 6.263 -2.417 299 1HG2 ILE 36 1HG2 ILE 36 -20.039 4.257 0.604 300 2HG2 ILE 36 2HG2 ILE 36 -19.421 5.710 -0.182 301 3HG2 ILE 36 3HG2 ILE 36 -18.590 4.170 -0.398 302 1HD1 ILE 36 1HD1 ILE 36 -18.441 3.952 -3.511 303 2HD1 ILE 36 2HD1 ILE 36 -17.908 4.939 -2.151 304 3HD1 ILE 36 3HD1 ILE 36 -18.145 5.677 -3.735 305 H GLY 37 H GLY 37 -22.559 1.921 -1.166 306 1HA GLY 37 2HA GLY 37 -22.044 1.239 1.544 307 2HA GLY 37 1HA GLY 37 -23.338 0.541 0.563 308 H ASP 38 H ASP 38 -22.504 -1.142 -1.096 309 HA ASP 38 HA ASP 38 -21.028 -3.179 0.371 310 1HB ASP 38 2HB ASP 38 -22.982 -3.587 -1.104 311 2HB ASP 38 1HB ASP 38 -22.021 -3.076 -2.492 312 H THR 39 H THR 39 -20.059 -0.693 -1.862 313 HA THR 39 HA THR 39 -17.837 -1.969 -3.141 314 HB THR 39 HB THR 39 -18.344 0.909 -2.311 315 HG1 THR 39 1HG THR 39 -19.203 1.089 -4.300 316 1HG2 THR 39 1HG2 THR 39 -16.243 -0.302 -4.125 317 2HG2 THR 39 2HG2 THR 39 -15.982 0.719 -2.712 318 3HG2 THR 39 3HG2 THR 39 -16.686 1.404 -4.177 319 H ALA 40 H ALA 40 -18.127 -0.254 -0.043 320 HA ALA 40 HA ALA 40 -15.347 -0.371 0.693 321 1HB ALA 40 1HB ALA 40 -17.908 -0.268 2.328 322 2HB ALA 40 2HB ALA 40 -17.001 1.122 1.733 323 3HB ALA 40 3HB ALA 40 -16.300 0.074 2.965 324 H LYS 41 H LYS 41 -18.100 -2.559 1.181 325 HA LYS 41 HA LYS 41 -16.746 -4.430 2.905 326 1HB LYS 41 2HB LYS 41 -19.221 -4.417 1.177 327 2HB LYS 41 1HB LYS 41 -18.719 -5.894 1.998 328 1HG LYS 41 2HG LYS 41 -20.283 -4.741 3.446 329 2HG LYS 41 1HG LYS 41 -18.676 -4.577 4.159 330 1HD LYS 41 2HD LYS 41 -18.510 -2.331 3.558 331 2HD LYS 41 1HD LYS 41 -19.669 -2.507 2.253 332 1HE LYS 41 2HE LYS 41 -21.240 -1.683 3.639 333 2HE LYS 41 1HE LYS 41 -21.100 -3.173 4.590 334 1HZ LYS 41 1HZ LYS 41 -19.367 -0.772 4.874 335 2HZ LYS 41 2HZ LYS 41 -19.234 -2.204 5.777 336 3HZ LYS 41 3HZ LYS 41 -20.606 -1.216 5.943 337 H LYS 42 H LYS 42 -17.022 -4.107 -0.638 338 HA LYS 42 HA LYS 42 -15.976 -6.742 -1.246 339 1HB LYS 42 2HB LYS 42 -17.011 -4.381 -2.569 340 2HB LYS 42 1HB LYS 42 -15.518 -4.883 -3.360 341 1HG LYS 42 2HG LYS 42 -17.226 -6.092 -4.470 342 2HG LYS 42 1HG LYS 42 -16.514 -7.257 -3.353 343 1HD LYS 42 2HD LYS 42 -18.819 -5.587 -2.413 344 2HD LYS 42 1HD LYS 42 -19.146 -6.947 -3.486 345 1HE LYS 42 2HE LYS 42 -17.404 -8.071 -1.664 346 2HE LYS 42 1HE LYS 42 -18.354 -6.964 -0.652 347 1HZ LYS 42 1HZ LYS 42 -19.482 -9.100 -0.917 348 2HZ LYS 42 2HZ LYS 42 -19.475 -8.908 -2.604 349 3HZ LYS 42 3HZ LYS 42 -20.375 -7.848 -1.629 350 H LEU 43 H LEU 43 -14.509 -3.861 -0.079 351 HA LEU 43 HA LEU 43 -11.873 -4.460 -1.308 352 1HB LEU 43 2HB LEU 43 -12.955 -2.225 0.432 353 2HB LEU 43 1HB LEU 43 -11.312 -2.272 -0.209 354 HG LEU 43 HG LEU 43 -13.761 -2.461 -1.976 355 1HD1 LEU 43 1HD1 LEU 43 -13.453 -0.282 -0.556 356 2HD1 LEU 43 2HD1 LEU 43 -13.744 -0.139 -2.290 357 3HD1 LEU 43 3HD1 LEU 43 -12.109 0.033 -1.653 358 1HD2 LEU 43 1HD2 LEU 43 -11.647 -3.299 -2.922 359 2HD2 LEU 43 2HD2 LEU 43 -10.846 -1.785 -2.499 360 3HD2 LEU 43 3HD2 LEU 43 -12.122 -1.797 -3.717 361 H GLY 44 H GLY 44 -13.595 -4.625 1.756 362 1HA GLY 44 2HA GLY 44 -11.133 -5.236 3.267 363 2HA GLY 44 1HA GLY 44 -12.756 -5.101 3.944 364 H GLU 45 H GLU 45 -14.180 -6.872 2.358 365 HA GLU 45 HA GLU 45 -13.797 -9.385 3.546 366 1HB GLU 45 2HB GLU 45 -15.755 -8.471 2.204 367 2HB GLU 45 1HB GLU 45 -14.854 -8.896 0.748 368 1HG GLU 45 2HG GLU 45 -14.826 -11.232 1.365 369 2HG GLU 45 1HG GLU 45 -15.510 -10.872 2.950 370 H MET 46 H MET 46 -12.265 -8.075 0.641 371 HA MET 46 HA MET 46 -10.987 -10.650 -0.043 372 1HB MET 46 2HB MET 46 -10.865 -7.822 -1.137 373 2HB MET 46 1HB MET 46 -9.990 -9.179 -1.848 374 1HG MET 46 2HG MET 46 -12.236 -10.381 -1.996 375 2HG MET 46 1HG MET 46 -12.986 -8.834 -1.600 376 1HE MET 46 1HE MET 46 -10.975 -10.268 -5.378 377 2HE MET 46 2HE MET 46 -11.120 -11.033 -3.797 378 3HE MET 46 3HE MET 46 -9.846 -9.850 -4.081 379 H TRP 47 H TRP 47 -10.056 -7.444 1.208 380 HA TRP 47 HA TRP 47 -7.245 -7.789 1.330 381 1HB TRP 47 2HB TRP 47 -8.523 -5.687 1.708 382 2HB TRP 47 1HB TRP 47 -9.091 -6.328 3.250 383 HD1 TRP 47 HD TRP 47 -7.598 -5.947 5.285 384 HE1 TRP 47 1HE TRP 47 -5.194 -5.094 5.661 385 HE3 TRP 47 3HE TRP 47 -5.996 -5.659 0.444 386 HZ2 TRP 47 2HZ TRP 47 -2.896 -4.383 4.113 387 HZ3 TRP 47 3HZ TRP 47 -3.698 -4.891 -0.075 388 HH2 TRP 47 HH TRP 47 -2.148 -4.253 1.751 389 H SER 48 H SER 48 -9.751 -9.234 3.315 390 HA SER 48 HA SER 48 -7.821 -10.026 5.422 391 1HB SER 48 2HB SER 48 -10.707 -9.696 5.071 392 2HB SER 48 1HB SER 48 -10.309 -11.203 5.889 393 HG SER 48 HG SER 48 -9.931 -10.034 7.580 394 H GLU 49 H GLU 49 -9.764 -11.433 2.807 395 HA GLU 49 HA GLU 49 -9.336 -14.201 3.377 396 1HB GLU 49 2HB GLU 49 -9.986 -12.512 0.983 397 2HB GLU 49 1HB GLU 49 -9.618 -14.219 0.734 398 1HG GLU 49 2HG GLU 49 -11.333 -14.735 2.538 399 2HG GLU 49 1HG GLU 49 -11.810 -13.039 2.456 400 H GLN 50 H GLN 50 -7.360 -11.805 1.678 401 HA GLN 50 HA GLN 50 -5.448 -13.504 0.443 402 1HB GLN 50 2HB GLN 50 -5.263 -10.739 1.676 403 2HB GLN 50 1HB GLN 50 -3.993 -11.441 0.673 404 1HG GLN 50 2HG GLN 50 -6.783 -11.471 -0.395 405 2HG GLN 50 1HG GLN 50 -5.918 -9.933 -0.391 406 1HE2 GLN 50 1HE2 GLN 50 -4.936 -9.612 -2.388 407 2HE2 GLN 50 2HE2 GLN 50 -4.183 -10.821 -3.312 408 H SER 51 H SER 51 -3.410 -14.281 1.168 409 HA SER 51 HA SER 51 -3.251 -14.851 4.067 410 1HB SER 51 2HB SER 51 -2.937 -16.539 2.208 411 2HB SER 51 1HB SER 51 -1.463 -15.686 1.758 412 HG SER 51 HG SER 51 -2.066 -16.962 4.222 413 H ALA 52 H ALA 52 -0.302 -15.052 4.010 414 HA ALA 52 HA ALA 52 0.328 -12.247 4.634 415 1HB ALA 52 1HB ALA 52 1.052 -14.085 6.077 416 2HB ALA 52 2HB ALA 52 2.474 -13.310 5.377 417 3HB ALA 52 3HB ALA 52 1.897 -14.845 4.727 418 H LYS 53 H LYS 53 -0.191 -12.227 1.966 419 HA LYS 53 HA LYS 53 2.522 -11.976 0.726 420 1HB LYS 53 2HB LYS 53 0.080 -13.485 -0.160 421 2HB LYS 53 1HB LYS 53 1.167 -12.820 -1.380 422 1HG LYS 53 2HG LYS 53 3.071 -13.988 -0.273 423 2HG LYS 53 1HG LYS 53 1.932 -14.717 0.859 424 1HD LYS 53 2HD LYS 53 0.772 -15.847 -0.956 425 2HD LYS 53 1HD LYS 53 1.774 -15.026 -2.153 426 1HE LYS 53 2HE LYS 53 2.812 -17.147 -1.930 427 2HE LYS 53 1HE LYS 53 3.778 -16.115 -0.858 428 1HZ LYS 53 1HZ LYS 53 1.430 -17.739 -0.030 429 2HZ LYS 53 2HZ LYS 53 2.360 -16.746 0.988 430 3HZ LYS 53 3HZ LYS 53 3.050 -18.130 0.285 431 H ASP 54 H ASP 54 -0.945 -11.137 0.521 432 HA ASP 54 HA ASP 54 -0.728 -9.069 -1.444 433 1HB ASP 54 2HB ASP 54 -2.772 -10.293 -0.431 434 2HB ASP 54 1HB ASP 54 -2.670 -9.106 0.871 435 H LYS 55 H LYS 55 -0.378 -8.994 2.110 436 HA LYS 55 HA LYS 55 0.124 -6.069 2.020 437 1HB LYS 55 2HB LYS 55 -1.390 -7.124 3.692 438 2HB LYS 55 1HB LYS 55 -0.024 -8.046 4.317 439 1HG LYS 55 2HG LYS 55 1.018 -6.152 5.203 440 2HG LYS 55 1HG LYS 55 0.170 -5.055 4.113 441 1HD LYS 55 2HD LYS 55 -0.909 -4.718 6.185 442 2HD LYS 55 1HD LYS 55 -1.979 -5.835 5.337 443 1HE LYS 55 2HE LYS 55 -0.915 -7.743 6.519 444 2HE LYS 55 1HE LYS 55 0.118 -6.601 7.401 445 1HZ LYS 55 1HZ LYS 55 -1.892 -5.462 8.167 446 2HZ LYS 55 2HZ LYS 55 -1.862 -7.081 8.686 447 3HZ LYS 55 3HZ LYS 55 -2.855 -6.620 7.387 448 H GLN 56 H GLN 56 2.081 -8.343 1.071 449 HA GLN 56 HA GLN 56 4.323 -7.958 2.960 450 1HB GLN 56 2HB GLN 56 3.579 -9.740 0.733 451 2HB GLN 56 1HB GLN 56 5.290 -9.320 0.764 452 1HG GLN 56 2HG GLN 56 5.044 -9.859 3.346 453 2HG GLN 56 1HG GLN 56 3.667 -10.814 2.793 454 1HE2 GLN 56 1HE2 GLN 56 4.135 -12.865 1.945 455 2HE2 GLN 56 2HE2 GLN 56 5.691 -13.400 1.528 456 HA PRO 57 HA PRO 57 6.134 -5.589 -0.710 457 1HB PRO 57 2HB PRO 57 4.826 -5.424 -3.084 458 2HB PRO 57 1HB PRO 57 5.887 -6.788 -2.677 459 1HG PRO 57 2HG PRO 57 2.938 -6.626 -2.693 460 2HG PRO 57 1HG PRO 57 3.992 -7.994 -3.068 461 1HD PRO 57 2HD PRO 57 2.607 -7.619 -0.691 462 2HD PRO 57 1HD PRO 57 3.990 -8.706 -0.928 463 H TYR 58 H TYR 58 2.652 -5.414 -0.333 464 HA TYR 58 HA TYR 58 2.394 -2.625 -1.167 465 1HB TYR 58 2HB TYR 58 0.732 -4.885 -0.231 466 2HB TYR 58 1HB TYR 58 0.105 -3.294 0.182 467 HD1 TYR 58 1HD TYR 58 -0.462 -1.660 -1.583 468 HD2 TYR 58 2HD TYR 58 0.892 -5.625 -2.531 469 HE1 TYR 58 1HE TYR 58 -1.260 -1.375 -3.915 470 HE2 TYR 58 2HE TYR 58 0.094 -5.340 -4.863 471 HH TYR 58 HH TYR 58 -0.332 -2.907 -6.375 472 H GLU 59 H GLU 59 3.144 -4.236 1.855 473 HA GLU 59 HA GLU 59 2.261 -1.992 3.530 474 1HB GLU 59 2HB GLU 59 3.058 -3.385 5.337 475 2HB GLU 59 1HB GLU 59 2.267 -4.434 4.170 476 1HG GLU 59 2HG GLU 59 4.224 -5.633 4.518 477 2HG GLU 59 1HG GLU 59 4.733 -4.607 3.177 478 H GLN 60 H GLN 60 5.180 -2.880 1.838 479 HA GLN 60 HA GLN 60 6.928 -1.154 3.449 480 1HB GLN 60 2HB GLN 60 8.606 -1.863 1.760 481 2HB GLN 60 1HB GLN 60 7.731 -3.240 2.425 482 1HG GLN 60 2HG GLN 60 6.447 -3.521 0.471 483 2HG GLN 60 1HG GLN 60 6.796 -1.894 -0.107 484 1HE2 GLN 60 1HE2 GLN 60 8.521 -4.966 0.674 485 2HE2 GLN 60 2HE2 GLN 60 9.680 -4.797 -0.555 486 H LYS 61 H LYS 61 4.959 -0.875 0.573 487 HA LYS 61 HA LYS 61 6.238 1.346 -0.702 488 1HB LYS 61 2HB LYS 61 4.479 -0.091 -1.693 489 2HB LYS 61 1HB LYS 61 3.309 0.544 -0.535 490 1HG LYS 61 2HG LYS 61 3.425 2.738 -1.478 491 2HG LYS 61 1HG LYS 61 4.849 2.328 -2.434 492 1HD LYS 61 2HD LYS 61 3.421 0.596 -3.619 493 2HD LYS 61 1HD LYS 61 2.024 1.306 -2.807 494 1HE LYS 61 2HE LYS 61 2.654 3.534 -3.801 495 2HE LYS 61 1HE LYS 61 3.908 2.699 -4.740 496 1HZ LYS 61 1HZ LYS 61 1.009 2.038 -4.739 497 2HZ LYS 61 2HZ LYS 61 2.209 1.205 -5.606 498 3HZ LYS 61 3HZ LYS 61 1.842 2.818 -5.993 499 H ALA 62 H ALA 62 3.597 1.235 1.709 500 HA ALA 62 HA ALA 62 3.428 4.126 1.958 501 1HB ALA 62 1HB ALA 62 2.106 3.316 4.072 502 2HB ALA 62 2HB ALA 62 2.348 1.709 3.386 503 3HB ALA 62 3HB ALA 62 1.471 2.936 2.471 504 H ALA 63 H ALA 63 5.688 1.853 3.144 505 HA ALA 63 HA ALA 63 6.271 3.273 5.659 506 1HB ALA 63 1HB ALA 63 7.770 1.084 4.184 507 2HB ALA 63 2HB ALA 63 6.445 0.790 5.309 508 3HB ALA 63 3HB ALA 63 7.945 1.515 5.885 509 H LYS 64 H LYS 64 6.896 3.952 2.425 510 HA LYS 64 HA LYS 64 9.614 5.074 2.935 511 1HB LYS 64 2HB LYS 64 7.948 4.362 0.510 512 2HB LYS 64 1HB LYS 64 9.442 5.281 0.379 513 1HG LYS 64 2HG LYS 64 9.275 2.609 1.786 514 2HG LYS 64 1HG LYS 64 9.676 2.761 0.074 515 1HD LYS 64 2HD LYS 64 11.589 4.223 0.659 516 2HD LYS 64 1HD LYS 64 11.203 4.029 2.369 517 1HE LYS 64 2HE LYS 64 11.868 1.784 2.402 518 2HE LYS 64 1HE LYS 64 11.633 1.588 0.654 519 1HZ LYS 64 1HZ LYS 64 13.481 2.983 0.206 520 2HZ LYS 64 2HZ LYS 64 14.006 1.853 1.362 521 3HZ LYS 64 3HZ LYS 64 13.628 3.442 1.833 522 H LEU 65 H LEU 65 6.303 5.854 2.132 523 HA LEU 65 HA LEU 65 6.864 8.699 1.579 524 1HB LEU 65 2HB LEU 65 4.510 6.829 1.569 525 2HB LEU 65 1HB LEU 65 4.224 8.570 1.578 526 HG LEU 65 HG LEU 65 6.000 8.575 -0.366 527 1HD1 LEU 65 1HD1 LEU 65 5.066 5.710 -0.200 528 2HD1 LEU 65 2HD1 LEU 65 6.708 6.320 -0.399 529 3HD1 LEU 65 3HD1 LEU 65 5.565 6.415 -1.737 530 1HD2 LEU 65 1HD2 LEU 65 3.165 7.548 -0.724 531 2HD2 LEU 65 2HD2 LEU 65 4.149 8.282 -1.990 532 3HD2 LEU 65 3HD2 LEU 65 3.640 9.242 -0.601 533 H LYS 66 H LYS 66 6.206 6.697 4.322 534 HA LYS 66 HA LYS 66 4.828 8.684 5.947 535 1HB LYS 66 2HB LYS 66 4.654 6.220 6.244 536 2HB LYS 66 1HB LYS 66 6.371 6.159 6.642 537 1HG LYS 66 2HG LYS 66 5.626 6.362 8.787 538 2HG LYS 66 1HG LYS 66 5.535 8.077 8.384 539 1HD LYS 66 2HD LYS 66 3.230 8.040 8.136 540 2HD LYS 66 1HD LYS 66 3.199 6.331 7.699 541 1HE LYS 66 2HE LYS 66 3.878 5.806 10.092 542 2HE LYS 66 1HE LYS 66 3.583 7.517 10.466 543 1HZ LYS 66 1HZ LYS 66 1.647 5.600 9.278 544 2HZ LYS 66 2HZ LYS 66 1.366 7.267 9.440 545 3HZ LYS 66 3HZ LYS 66 1.561 6.297 10.821 546 H GLU 67 H GLU 67 8.170 7.745 5.312 547 HA GLU 67 HA GLU 67 9.389 9.113 7.545 548 1HB GLU 67 2HB GLU 67 10.297 8.198 4.806 549 2HB GLU 67 1HB GLU 67 11.404 8.967 5.944 550 1HG GLU 67 2HG GLU 67 10.726 7.227 7.646 551 2HG GLU 67 1HG GLU 67 9.845 6.403 6.357 552 H LYS 68 H LYS 68 9.272 10.037 4.077 553 HA LYS 68 HA LYS 68 10.180 12.713 4.419 554 1HB LYS 68 2HB LYS 68 8.434 11.333 2.362 555 2HB LYS 68 1HB LYS 68 9.025 12.982 2.158 556 1HG LYS 68 2HG LYS 68 10.984 10.823 2.857 557 2HG LYS 68 1HG LYS 68 10.411 10.948 1.193 558 1HD LYS 68 2HD LYS 68 12.203 12.396 1.070 559 2HD LYS 68 1HD LYS 68 10.959 13.532 1.593 560 1HE LYS 68 2HE LYS 68 11.801 13.672 3.751 561 2HE LYS 68 1HE LYS 68 12.475 12.031 3.702 562 1HZ LYS 68 1HZ LYS 68 13.458 14.351 2.125 563 2HZ LYS 68 2HZ LYS 68 14.092 12.776 2.069 564 3HZ LYS 68 3HZ LYS 68 14.225 13.699 3.490 565 H TYR 69 H TYR 69 7.008 11.282 4.907 566 HA TYR 69 HA TYR 69 5.483 13.756 4.821 567 1HB TYR 69 2HB TYR 69 4.540 11.480 4.515 568 2HB TYR 69 1HB TYR 69 4.975 11.076 6.172 569 HD1 TYR 69 1HD TYR 69 2.495 12.557 4.029 570 HD2 TYR 69 2HD TYR 69 3.954 12.496 8.069 571 HE1 TYR 69 1HE TYR 69 0.352 13.517 4.823 572 HE2 TYR 69 2HE TYR 69 1.814 13.459 8.859 573 HH TYR 69 HH TYR 69 -0.050 14.744 8.001 574 H GLU 70 H GLU 70 6.226 11.655 7.586 575 HA GLU 70 HA GLU 70 5.685 13.574 9.628 576 1HB GLU 70 2HB GLU 70 7.240 11.011 9.403 577 2HB GLU 70 1HB GLU 70 7.276 11.921 10.915 578 1HG GLU 70 2HG GLU 70 4.707 11.958 10.750 579 2HG GLU 70 1HG GLU 70 4.888 10.703 9.524 580 H LYS 71 H LYS 71 8.450 13.273 7.539 581 HA LYS 71 HA LYS 71 10.186 14.842 9.377 582 1HB LYS 71 2HB LYS 71 10.589 13.394 6.749 583 2HB LYS 71 1HB LYS 71 11.866 14.311 7.548 584 1HG LYS 71 2HG LYS 71 11.578 12.909 9.578 585 2HG LYS 71 1HG LYS 71 10.357 11.961 8.729 586 1HD LYS 71 2HD LYS 71 12.047 11.382 6.998 587 2HD LYS 71 1HD LYS 71 13.264 12.266 7.919 588 1HE LYS 71 2HE LYS 71 12.926 10.755 9.844 589 2HE LYS 71 1HE LYS 71 11.695 9.864 8.926 590 1HZ LYS 71 1HZ LYS 71 13.347 9.471 7.188 591 2HZ LYS 71 2HZ LYS 71 13.849 8.809 8.671 592 3HZ LYS 71 3HZ LYS 71 14.526 10.265 8.114 593 H ASP 72 H ASP 72 8.233 15.281 6.505 594 HA ASP 72 HA ASP 72 9.549 17.914 5.964 595 1HB ASP 72 2HB ASP 72 9.271 16.135 4.184 596 2HB ASP 72 1HB ASP 72 7.528 16.378 4.310 597 H ILE 73 H ILE 73 6.434 16.429 6.786 598 HA ILE 73 HA ILE 73 4.814 18.773 6.426 599 HB ILE 73 HB ILE 73 4.102 16.350 6.633 600 1HG1 ILE 73 2HG1 ILE 73 2.063 16.940 8.068 601 2HG1 ILE 73 1HG1 ILE 73 2.824 18.513 8.310 602 1HG2 ILE 73 1HG2 ILE 73 5.551 16.096 8.797 603 2HG2 ILE 73 2HG2 ILE 73 4.002 15.257 8.701 604 3HG2 ILE 73 3HG2 ILE 73 4.135 16.760 9.613 605 1HD1 ILE 73 1HD1 ILE 73 2.847 18.938 5.925 606 2HD1 ILE 73 2HD1 ILE 73 1.211 18.460 6.378 607 3HD1 ILE 73 3HD1 ILE 73 2.280 17.304 5.585 608 H ALA 74 H ALA 74 6.847 17.667 9.082 609 HA ALA 74 HA ALA 74 5.849 19.346 11.173 610 1HB ALA 74 1HB ALA 74 7.448 17.409 11.349 611 2HB ALA 74 2HB ALA 74 7.999 18.847 12.210 612 3HB ALA 74 3HB ALA 74 8.697 18.436 10.644 613 H ALA 75 H ALA 75 8.732 19.858 9.100 614 HA ALA 75 HA ALA 75 9.133 22.598 9.887 615 1HB ALA 75 1HB ALA 75 10.817 21.046 8.879 616 2HB ALA 75 2HB ALA 75 10.716 22.581 8.017 617 3HB ALA 75 3HB ALA 75 9.945 21.143 7.349 618 H TYR 76 H TYR 76 6.938 21.108 7.629 619 HA TYR 76 HA TYR 76 6.533 23.417 5.908 620 1HB TYR 76 2HB TYR 76 6.086 21.008 5.347 621 2HB TYR 76 1HB TYR 76 4.740 21.035 6.488 622 HD1 TYR 76 1HD TYR 76 6.025 22.399 3.295 623 HD2 TYR 76 2HD TYR 76 2.675 22.176 5.974 624 HE1 TYR 76 1HE TYR 76 4.562 23.377 1.547 625 HE2 TYR 76 2HE TYR 76 1.212 23.153 4.225 626 HH TYR 76 HH TYR 76 1.640 24.707 2.129 627 H ARG 77 H ARG 77 4.909 22.105 8.792 628 HA ARG 77 HA ARG 77 2.729 24.014 8.784 629 1HB ARG 77 2HB ARG 77 3.931 22.002 10.660 630 2HB ARG 77 1HB ARG 77 2.749 23.147 11.293 631 1HG ARG 77 2HG ARG 77 1.092 22.429 9.688 632 2HG ARG 77 1HG ARG 77 2.275 21.433 8.840 633 1HD ARG 77 2HD ARG 77 2.212 19.763 10.437 634 2HD ARG 77 1HD ARG 77 1.874 20.899 11.758 635 HE ARG 77 HE ARG 77 -0.204 20.378 9.675 636 1HH1 ARG 77 1HH1 ARG 77 -0.054 21.986 12.457 637 2HH1 ARG 77 2HH1 ARG 77 -1.181 21.027 13.357 638 1HH2 ARG 77 1HH2 ARG 77 -1.249 18.451 11.036 639 2HH2 ARG 77 2HH2 ARG 77 -1.857 19.025 12.552 640 H ALA 78 H ALA 78 5.023 23.761 11.504 641 HA ALA 78 HA ALA 78 6.098 26.448 11.178 642 1HB ALA 78 1HB ALA 78 3.895 27.128 11.800 643 2HB ALA 78 2HB ALA 78 4.845 27.252 13.280 644 3HB ALA 78 3HB ALA 78 3.777 25.872 13.032 645 H LYS 79 H LYS 79 7.135 23.787 11.736 646 HA LYS 79 HA LYS 79 8.139 24.116 14.544 647 1HB LYS 79 2HB LYS 79 7.218 21.870 12.875 648 2HB LYS 79 1HB LYS 79 8.693 21.536 13.779 649 1HG LYS 79 2HG LYS 79 7.633 22.053 15.867 650 2HG LYS 79 1HG LYS 79 6.218 22.723 15.054 651 1HD LYS 79 2HD LYS 79 7.026 19.862 14.579 652 2HD LYS 79 1HD LYS 79 6.076 20.296 16.001 653 1HE LYS 79 2HE LYS 79 5.176 21.341 13.336 654 2HE LYS 79 1HE LYS 79 4.850 19.643 13.738 655 1HZ LYS 79 1HZ LYS 79 3.908 20.353 15.845 656 2HZ LYS 79 2HZ LYS 79 3.081 21.088 14.557 657 3HZ LYS 79 3HZ LYS 79 4.210 21.978 15.464 Start of MODEL 19 1 1H MET 1 1HT MET 1 -17.414 17.172 2.644 2 2H MET 1 2HT MET 1 -17.043 15.754 1.785 3 3H MET 1 3HT MET 1 -17.749 17.075 0.984 4 HA MET 1 HA MET 1 -15.373 16.943 0.487 5 1HB MET 1 2HB MET 1 -16.825 19.062 0.788 6 2HB MET 1 1HB MET 1 -15.982 19.264 2.325 7 1HG MET 1 2HG MET 1 -13.806 19.107 1.046 8 2HG MET 1 1HG MET 1 -14.751 19.176 -0.441 9 1HE MET 1 1HE MET 1 -16.259 22.591 -0.629 10 2HE MET 1 2HE MET 1 -16.940 20.998 -0.313 11 3HE MET 1 3HE MET 1 -15.654 21.177 -1.504 12 H LYS 2 H LYS 2 -13.584 15.955 1.322 13 HA LYS 2 HA LYS 2 -12.903 16.422 4.204 14 1HB LYS 2 2HB LYS 2 -13.420 13.945 2.667 15 2HB LYS 2 1HB LYS 2 -12.004 13.897 3.720 16 1HG LYS 2 2HG LYS 2 -13.894 15.115 5.330 17 2HG LYS 2 1HG LYS 2 -14.859 13.954 4.423 18 1HD LYS 2 2HD LYS 2 -12.899 12.299 5.013 19 2HD LYS 2 1HD LYS 2 -12.574 13.460 6.299 20 1HE LYS 2 2HE LYS 2 -15.426 12.776 6.058 21 2HE LYS 2 1HE LYS 2 -14.391 11.395 6.467 22 1HZ LYS 2 1HZ LYS 2 -13.342 12.732 8.189 23 2HZ LYS 2 2HZ LYS 2 -15.015 12.622 8.461 24 3HZ LYS 2 3HZ LYS 2 -14.348 14.045 7.814 25 H LYS 3 H LYS 3 -11.897 17.547 1.550 26 HA LYS 3 HA LYS 3 -9.329 16.445 0.935 27 1HB LYS 3 2HB LYS 3 -11.017 18.398 -0.037 28 2HB LYS 3 1HB LYS 3 -9.683 19.355 0.606 29 1HG LYS 3 2HG LYS 3 -8.076 18.117 -0.725 30 2HG LYS 3 1HG LYS 3 -9.328 16.998 -1.266 31 1HD LYS 3 2HD LYS 3 -10.516 18.875 -2.363 32 2HD LYS 3 1HD LYS 3 -9.230 19.971 -1.857 33 1HE LYS 3 2HE LYS 3 -7.599 18.454 -3.099 34 2HE LYS 3 1HE LYS 3 -9.020 17.648 -3.795 35 1HZ LYS 3 1HZ LYS 3 -8.266 19.508 -5.181 36 2HZ LYS 3 2HZ LYS 3 -8.498 20.575 -3.879 37 3HZ LYS 3 3HZ LYS 3 -9.827 19.775 -4.572 38 H LYS 4 H LYS 4 -7.581 18.638 1.143 39 HA LYS 4 HA LYS 4 -7.393 19.302 4.010 40 1HB LYS 4 2HB LYS 4 -5.279 17.863 2.370 41 2HB LYS 4 1HB LYS 4 -5.067 18.405 4.034 42 1HG LYS 4 2HG LYS 4 -7.241 17.002 4.480 43 2HG LYS 4 1HG LYS 4 -6.790 16.186 2.981 44 1HD LYS 4 2HD LYS 4 -5.792 14.979 4.834 45 2HD LYS 4 1HD LYS 4 -4.505 15.804 3.954 46 1HE LYS 4 2HE LYS 4 -4.282 17.481 5.621 47 2HE LYS 4 1HE LYS 4 -5.849 17.075 6.351 48 1HZ LYS 4 1HZ LYS 4 -5.009 14.917 6.953 49 2HZ LYS 4 2HZ LYS 4 -3.962 16.101 7.577 50 3HZ LYS 4 3HZ LYS 4 -3.528 15.225 6.186 51 H ASP 5 H ASP 5 -4.531 20.177 3.472 52 HA ASP 5 HA ASP 5 -5.198 22.771 2.213 53 1HB ASP 5 2HB ASP 5 -3.226 21.611 4.089 54 2HB ASP 5 1HB ASP 5 -2.592 22.881 3.042 55 HA PRO 6 HA PRO 6 -3.082 21.871 -1.554 56 1HB PRO 6 2HB PRO 6 -1.839 24.235 -2.142 57 2HB PRO 6 1HB PRO 6 -3.594 24.008 -2.284 58 1HG PRO 6 2HG PRO 6 -2.025 25.331 -0.131 59 2HG PRO 6 1HG PRO 6 -3.588 25.781 -0.829 60 1HD PRO 6 2HD PRO 6 -3.311 24.509 1.572 61 2HD PRO 6 1HD PRO 6 -4.752 24.370 0.541 62 H ASN 7 H ASN 7 -1.182 23.302 1.051 63 HA ASN 7 HA ASN 7 1.338 22.198 -0.106 64 1HB ASN 7 2HB ASN 7 2.383 23.670 1.597 65 2HB ASN 7 1HB ASN 7 1.253 24.560 0.581 66 1HD2 ASN 7 1HD2 ASN 7 2.169 24.404 3.717 67 2HD2 ASN 7 2HD2 ASN 7 0.696 24.749 4.487 68 H ALA 8 H ALA 8 -0.807 20.548 1.180 69 HA ALA 8 HA ALA 8 0.523 19.620 3.680 70 1HB ALA 8 1HB ALA 8 -2.147 19.088 2.348 71 2HB ALA 8 2HB ALA 8 -1.853 20.037 3.805 72 3HB ALA 8 3HB ALA 8 -1.633 18.287 3.833 73 HA PRO 9 HA PRO 9 2.239 16.271 1.267 74 1HB PRO 9 2HB PRO 9 3.134 14.703 3.323 75 2HB PRO 9 1HB PRO 9 3.974 16.176 2.798 76 1HG PRO 9 2HG PRO 9 2.160 15.758 5.117 77 2HG PRO 9 1HG PRO 9 3.635 16.731 4.998 78 1HD PRO 9 2HD PRO 9 1.115 17.782 4.904 79 2HD PRO 9 1HD PRO 9 2.527 18.535 4.129 80 H LYS 10 H LYS 10 -0.248 15.908 0.895 81 HA LYS 10 HA LYS 10 -2.192 14.561 1.007 82 1HB LYS 10 2HB LYS 10 0.243 13.345 0.145 83 2HB LYS 10 1HB LYS 10 -0.745 12.103 0.900 84 1HG LYS 10 2HG LYS 10 -1.280 12.261 -1.464 85 2HG LYS 10 1HG LYS 10 -2.662 12.805 -0.523 86 1HD LYS 10 2HD LYS 10 -2.346 15.035 -1.108 87 2HD LYS 10 1HD LYS 10 -0.623 14.817 -1.414 88 1HE LYS 10 2HE LYS 10 -2.520 13.303 -3.163 89 2HE LYS 10 1HE LYS 10 -2.354 15.049 -3.439 90 1HZ LYS 10 1HZ LYS 10 0.064 14.760 -3.429 91 2HZ LYS 10 2HZ LYS 10 -0.664 13.863 -4.675 92 3HZ LYS 10 3HZ LYS 10 -0.131 13.084 -3.262 93 H ARG 11 H ARG 11 -2.389 11.847 1.897 94 HA ARG 11 HA ARG 11 -2.477 12.263 4.863 95 1HB ARG 11 2HB ARG 11 -4.104 10.754 2.826 96 2HB ARG 11 1HB ARG 11 -4.152 10.261 4.519 97 1HG ARG 11 2HG ARG 11 -5.913 11.808 4.386 98 2HG ARG 11 1HG ARG 11 -4.579 12.789 4.994 99 1HD ARG 11 2HD ARG 11 -4.392 13.984 3.035 100 2HD ARG 11 1HD ARG 11 -4.837 12.591 2.028 101 HE ARG 11 HE ARG 11 -6.947 13.744 3.768 102 1HH1 ARG 11 1HH2 ARG 11 -6.038 15.402 1.303 103 2HH1 ARG 11 2HH2 ARG 11 -7.237 14.916 0.152 104 1HH2 ARG 11 1HH1 ARG 11 -8.299 12.189 2.012 105 2HH2 ARG 11 2HH1 ARG 11 -8.517 13.096 0.552 106 HA PRO 12 HA PRO 12 0.499 9.030 5.264 107 1HB PRO 12 2HB PRO 12 -0.169 7.962 7.688 108 2HB PRO 12 1HB PRO 12 0.644 9.529 7.506 109 1HG PRO 12 2HG PRO 12 -2.215 8.931 8.047 110 2HG PRO 12 1HG PRO 12 -1.189 10.234 8.661 111 1HD PRO 12 2HD PRO 12 -3.025 10.555 6.659 112 2HD PRO 12 1HD PRO 12 -1.586 11.577 6.863 113 HA PRO 13 HA PRO 13 -2.136 5.600 3.910 114 1HB PRO 13 2HB PRO 13 -0.285 4.411 2.295 115 2HB PRO 13 1HB PRO 13 -1.236 5.818 1.790 116 1HG PRO 13 2HG PRO 13 1.595 5.648 2.581 117 2HG PRO 13 1HG PRO 13 0.785 6.800 1.514 118 1HD PRO 13 2HD PRO 13 1.554 7.233 4.191 119 2HD PRO 13 1HD PRO 13 0.524 8.282 3.198 120 H SER 14 H SER 14 -1.707 3.106 3.945 121 HA SER 14 HA SER 14 0.525 2.154 5.577 122 1HB SER 14 2HB SER 14 -0.921 3.282 7.234 123 2HB SER 14 1HB SER 14 -2.288 2.303 6.710 124 HG SER 14 HG SER 14 0.078 1.517 8.039 125 H ALA 15 H ALA 15 0.104 1.087 3.208 126 HA ALA 15 HA ALA 15 -0.274 -0.932 2.094 127 1HB ALA 15 1HB ALA 15 0.171 -2.631 3.514 128 2HB ALA 15 2HB ALA 15 -1.441 -2.499 4.212 129 3HB ALA 15 3HB ALA 15 -0.113 -1.547 4.874 130 H PHE 16 H PHE 16 -2.928 -1.215 4.488 131 HA PHE 16 HA PHE 16 -4.966 -1.986 2.769 132 1HB PHE 16 2HB PHE 16 -4.847 -1.641 5.327 133 2HB PHE 16 1HB PHE 16 -5.368 0.011 4.994 134 HD1 PHE 16 1HD PHE 16 -6.274 -3.379 3.646 135 HD2 PHE 16 2HD PHE 16 -7.648 0.321 5.341 136 HE1 PHE 16 1HE PHE 16 -8.620 -4.153 3.435 137 HE2 PHE 16 2HE PHE 16 -9.994 -0.453 5.130 138 HZ PHE 16 HZ PHE 16 -10.480 -2.691 4.176 139 H PHE 17 H PHE 17 -4.192 1.401 3.645 140 HA PHE 17 HA PHE 17 -6.165 2.675 2.036 141 1HB PHE 17 2HB PHE 17 -4.560 3.575 3.855 142 2HB PHE 17 1HB PHE 17 -3.382 3.737 2.552 143 HD1 PHE 17 1HD PHE 17 -6.372 5.112 4.087 144 HD2 PHE 17 2HD PHE 17 -3.924 5.178 0.558 145 HE1 PHE 17 1HE PHE 17 -7.430 7.244 3.392 146 HE2 PHE 17 2HE PHE 17 -4.984 7.309 -0.137 147 HZ PHE 17 HZ PHE 17 -6.736 8.343 1.281 148 H LEU 18 H LEU 18 -2.901 1.511 1.240 149 HA LEU 18 HA LEU 18 -2.824 2.664 -1.420 150 1HB LEU 18 2HB LEU 18 -1.294 0.280 -0.330 151 2HB LEU 18 1HB LEU 18 -0.792 1.361 -1.621 152 HG LEU 18 HG LEU 18 -1.039 2.034 1.330 153 1HD1 LEU 18 1HD1 LEU 18 1.398 2.560 1.011 154 2HD1 LEU 18 2HD1 LEU 18 1.279 1.878 -0.611 155 3HD1 LEU 18 3HD1 LEU 18 0.998 0.856 0.798 156 1HD2 LEU 18 1HD2 LEU 18 0.079 4.239 0.336 157 2HD2 LEU 18 2HD2 LEU 18 -1.676 4.071 0.385 158 3HD2 LEU 18 3HD2 LEU 18 -0.803 3.764 -1.117 159 H PHE 19 H PHE 19 -3.885 -0.432 -0.064 160 HA PHE 19 HA PHE 19 -4.186 -1.742 -2.661 161 1HB PHE 19 2HB PHE 19 -3.677 -2.871 -0.486 162 2HB PHE 19 1HB PHE 19 -5.287 -2.429 0.083 163 HD1 PHE 19 1HD PHE 19 -3.414 -4.431 -2.415 164 HD2 PHE 19 2HD PHE 19 -7.248 -3.597 -0.666 165 HE1 PHE 19 1HE PHE 19 -4.359 -6.433 -3.533 166 HE2 PHE 19 2HE PHE 19 -8.193 -5.599 -1.784 167 HZ PHE 19 HZ PHE 19 -6.748 -7.018 -3.217 168 H CYS 20 H CYS 20 -6.535 -0.669 -0.167 169 HA CYS 20 HA CYS 20 -8.905 -1.128 -1.651 170 1HB CYS 20 2HB CYS 20 -8.475 -0.473 0.821 171 2HB CYS 20 1HB CYS 20 -8.501 1.192 0.239 172 HG CYS 20 HG CYS 20 -10.960 0.679 0.793 173 H SER 21 H SER 21 -7.152 1.982 -1.276 174 HA SER 21 HA SER 21 -8.706 3.546 -3.047 175 1HB SER 21 2HB SER 21 -6.925 4.305 -1.460 176 2HB SER 21 1HB SER 21 -5.713 3.655 -2.560 177 HG SER 21 HG SER 21 -7.658 5.632 -3.188 178 H GLU 22 H GLU 22 -6.366 1.048 -3.784 179 HA GLU 22 HA GLU 22 -6.218 1.894 -6.634 180 1HB GLU 22 2HB GLU 22 -4.690 0.117 -4.782 181 2HB GLU 22 1HB GLU 22 -4.547 -0.141 -6.517 182 1HG GLU 22 2HG GLU 22 -4.098 2.525 -5.143 183 2HG GLU 22 1HG GLU 22 -2.807 1.418 -5.610 184 H TYR 23 H TYR 23 -7.597 -0.589 -4.561 185 HA TYR 23 HA TYR 23 -8.298 -2.291 -6.893 186 1HB TYR 23 2HB TYR 23 -8.207 -2.519 -3.911 187 2HB TYR 23 1HB TYR 23 -9.269 -3.613 -4.799 188 HD1 TYR 23 1HD TYR 23 -5.774 -2.247 -4.983 189 HD2 TYR 23 2HD TYR 23 -8.373 -5.614 -5.585 190 HE1 TYR 23 1HE TYR 23 -3.822 -3.643 -5.606 191 HE2 TYR 23 2HE TYR 23 -6.421 -7.010 -6.209 192 HH TYR 23 HH TYR 23 -3.925 -6.985 -5.753 193 H ARG 24 H ARG 24 -9.651 0.444 -5.825 194 HA ARG 24 HA ARG 24 -12.412 -0.466 -5.446 195 1HB ARG 24 2HB ARG 24 -10.908 2.125 -5.393 196 2HB ARG 24 1HB ARG 24 -12.669 2.131 -5.514 197 1HG ARG 24 2HG ARG 24 -12.952 1.071 -3.442 198 2HG ARG 24 1HG ARG 24 -11.302 0.449 -3.429 199 1HD ARG 24 2HD ARG 24 -10.390 2.508 -2.779 200 2HD ARG 24 1HD ARG 24 -11.767 3.427 -3.416 201 HE ARG 24 HE ARG 24 -12.765 1.691 -1.401 202 1HH1 ARG 24 1HH1 ARG 24 -9.934 3.188 -0.791 203 2HH1 ARG 24 2HH1 ARG 24 -10.532 4.339 0.357 204 1HH2 ARG 24 1HH2 ARG 24 -13.868 3.697 -0.340 205 2HH2 ARG 24 2HH2 ARG 24 -12.760 4.628 0.612 206 HA PRO 25 HA PRO 25 -12.892 1.840 -9.658 207 1HB PRO 25 2HB PRO 25 -10.691 1.965 -11.281 208 2HB PRO 25 1HB PRO 25 -11.172 3.267 -10.175 209 1HG PRO 25 2HG PRO 25 -9.083 1.178 -9.847 210 2HG PRO 25 1HG PRO 25 -9.056 2.886 -9.383 211 1HD PRO 25 2HD PRO 25 -9.473 0.885 -7.632 212 2HD PRO 25 1HD PRO 25 -10.162 2.504 -7.406 213 H LYS 26 H LYS 26 -10.984 -0.972 -9.035 214 HA LYS 26 HA LYS 26 -11.360 -2.323 -11.587 215 1HB LYS 26 2HB LYS 26 -9.637 -2.769 -9.747 216 2HB LYS 26 1HB LYS 26 -10.957 -3.486 -8.817 217 1HG LYS 26 2HG LYS 26 -10.478 -4.397 -11.639 218 2HG LYS 26 1HG LYS 26 -9.459 -5.024 -10.343 219 1HD LYS 26 2HD LYS 26 -11.700 -5.493 -9.110 220 2HD LYS 26 1HD LYS 26 -12.436 -5.316 -10.702 221 1HE LYS 26 2HE LYS 26 -10.659 -7.016 -11.513 222 2HE LYS 26 1HE LYS 26 -10.423 -7.378 -9.791 223 1HZ LYS 26 1HZ LYS 26 -12.783 -7.758 -9.559 224 2HZ LYS 26 2HZ LYS 26 -12.170 -8.764 -10.783 225 3HZ LYS 26 3HZ LYS 26 -13.048 -7.367 -11.188 226 H ILE 27 H ILE 27 -12.872 -2.550 -8.368 227 HA ILE 27 HA ILE 27 -14.909 -4.435 -8.867 228 HB ILE 27 HB ILE 27 -15.091 -1.897 -7.199 229 1HG1 ILE 27 2HG1 ILE 27 -13.044 -2.968 -6.516 230 2HG1 ILE 27 1HG1 ILE 27 -14.259 -3.366 -5.315 231 1HG2 ILE 27 1HG2 ILE 27 -16.526 -3.361 -5.749 232 2HG2 ILE 27 2HG2 ILE 27 -16.454 -4.590 -7.011 233 3HG2 ILE 27 3HG2 ILE 27 -17.206 -3.029 -7.342 234 1HD1 ILE 27 1HD1 ILE 27 -13.164 -5.412 -5.748 235 2HD1 ILE 27 2HD1 ILE 27 -13.146 -5.128 -7.490 236 3HD1 ILE 27 3HD1 ILE 27 -14.664 -5.506 -6.673 237 H LYS 28 H LYS 28 -14.761 -1.001 -9.597 238 HA LYS 28 HA LYS 28 -17.560 -0.685 -10.238 239 1HB LYS 28 2HB LYS 28 -15.468 1.096 -11.453 240 2HB LYS 28 1HB LYS 28 -17.012 1.522 -10.730 241 1HG LYS 28 2HG LYS 28 -14.415 0.879 -9.359 242 2HG LYS 28 1HG LYS 28 -15.332 2.364 -9.267 243 1HD LYS 28 2HD LYS 28 -16.108 -0.312 -8.056 244 2HD LYS 28 1HD LYS 28 -15.577 1.123 -7.190 245 1HE LYS 28 2HE LYS 28 -18.007 1.197 -9.001 246 2HE LYS 28 1HE LYS 28 -18.126 0.736 -7.291 247 1HZ LYS 28 1HZ LYS 28 -16.974 3.248 -8.381 248 2HZ LYS 28 2HZ LYS 28 -16.872 2.782 -6.751 249 3HZ LYS 28 3HZ LYS 28 -18.386 3.101 -7.454 250 H SER 29 H SER 29 -14.681 -1.422 -12.174 251 HA SER 29 HA SER 29 -15.800 -1.122 -14.775 252 1HB SER 29 2HB SER 29 -13.390 -1.498 -14.068 253 2HB SER 29 1HB SER 29 -13.792 -3.200 -13.859 254 HG SER 29 HG SER 29 -13.933 -3.434 -15.968 255 H GLU 30 H GLU 30 -16.208 -3.658 -12.383 256 HA GLU 30 HA GLU 30 -17.764 -5.279 -14.373 257 1HB GLU 30 2HB GLU 30 -15.812 -5.842 -12.241 258 2HB GLU 30 1HB GLU 30 -17.233 -6.882 -12.185 259 1HG GLU 30 2HG GLU 30 -15.769 -6.394 -14.776 260 2HG GLU 30 1HG GLU 30 -15.243 -7.649 -13.654 261 H HIS 31 H HIS 31 -17.892 -3.578 -11.322 262 HA HIS 31 HA HIS 31 -20.723 -4.510 -10.951 263 1HB HIS 31 2HB HIS 31 -18.800 -3.526 -8.817 264 2HB HIS 31 1HB HIS 31 -20.360 -4.297 -8.567 265 HD1 HIS 31 1HD HIS 31 -16.787 -5.028 -9.254 266 HD2 HIS 31 2HD HIS 31 -20.377 -7.145 -9.129 267 HE1 HIS 31 1HE HIS 31 -16.169 -7.480 -9.232 268 HA PRO 32 HA PRO 32 -20.927 -0.013 -11.721 269 1HB PRO 32 2HB PRO 32 -23.425 -0.036 -12.832 270 2HB PRO 32 1HB PRO 32 -21.953 -0.379 -13.753 271 1HG PRO 32 2HG PRO 32 -23.992 -2.247 -12.696 272 2HG PRO 32 1HG PRO 32 -23.030 -2.341 -14.179 273 1HD PRO 32 2HD PRO 32 -22.520 -3.769 -11.877 274 2HD PRO 32 1HD PRO 32 -21.326 -3.423 -13.146 275 H GLY 33 H GLY 33 -23.285 -2.193 -10.277 276 1HA GLY 33 2HA GLY 33 -24.718 -0.064 -8.878 277 2HA GLY 33 1HA GLY 33 -24.964 -1.795 -8.671 278 H LEU 34 H LEU 34 -21.849 -1.892 -8.297 279 HA LEU 34 HA LEU 34 -21.790 -2.116 -5.469 280 1HB LEU 34 2HB LEU 34 -20.024 -2.330 -7.739 281 2HB LEU 34 1HB LEU 34 -19.187 -1.476 -6.451 282 HG LEU 34 HG LEU 34 -18.871 -3.944 -6.332 283 1HD1 LEU 34 1HD1 LEU 34 -18.519 -3.138 -4.228 284 2HD1 LEU 34 2HD1 LEU 34 -20.004 -4.023 -3.878 285 3HD1 LEU 34 3HD1 LEU 34 -20.062 -2.286 -4.182 286 1HD2 LEU 34 1HD2 LEU 34 -20.599 -5.422 -6.349 287 2HD2 LEU 34 2HD2 LEU 34 -21.551 -4.080 -6.985 288 3HD2 LEU 34 3HD2 LEU 34 -21.573 -4.435 -5.259 289 H SER 35 H SER 35 -22.841 -0.066 -4.769 290 HA SER 35 HA SER 35 -21.623 2.524 -5.200 291 1HB SER 35 2HB SER 35 -23.486 1.429 -3.067 292 2HB SER 35 1HB SER 35 -23.139 3.141 -3.293 293 HG SER 35 HG SER 35 -25.047 2.019 -4.413 294 H ILE 36 H ILE 36 -20.795 3.814 -3.186 295 HA ILE 36 HA ILE 36 -18.369 2.705 -2.224 296 HB ILE 36 HB ILE 36 -20.164 4.971 -1.323 297 1HG1 ILE 36 2HG1 ILE 36 -17.869 6.103 -2.119 298 2HG1 ILE 36 1HG1 ILE 36 -17.738 4.599 -3.029 299 1HG2 ILE 36 1HG2 ILE 36 -19.035 4.443 0.708 300 2HG2 ILE 36 2HG2 ILE 36 -18.059 5.719 -0.022 301 3HG2 ILE 36 3HG2 ILE 36 -17.541 4.037 -0.136 302 1HD1 ILE 36 1HD1 ILE 36 -20.319 6.125 -3.087 303 2HD1 ILE 36 2HD1 ILE 36 -19.636 5.042 -4.300 304 3HD1 ILE 36 3HD1 ILE 36 -18.974 6.664 -4.093 305 H GLY 37 H GLY 37 -21.643 2.467 -0.961 306 1HA GLY 37 2HA GLY 37 -21.051 1.621 1.696 307 2HA GLY 37 1HA GLY 37 -22.523 1.207 0.814 308 H ASP 38 H ASP 38 -22.060 -0.486 -1.021 309 HA ASP 38 HA ASP 38 -21.078 -2.897 0.240 310 1HB ASP 38 2HB ASP 38 -22.892 -2.510 -1.571 311 2HB ASP 38 1HB ASP 38 -21.548 -2.475 -2.713 312 H THR 39 H THR 39 -19.682 -0.558 -2.002 313 HA THR 39 HA THR 39 -17.441 -2.113 -2.907 314 HB THR 39 HB THR 39 -17.887 0.862 -2.547 315 HG1 THR 39 1HG THR 39 -18.602 0.774 -4.592 316 1HG2 THR 39 1HG2 THR 39 -15.521 0.589 -2.740 317 2HG2 THR 39 2HG2 THR 39 -16.092 1.021 -4.351 318 3HG2 THR 39 3HG2 THR 39 -15.699 -0.656 -3.975 319 H ALA 40 H ALA 40 -18.021 -0.233 0.015 320 HA ALA 40 HA ALA 40 -15.248 -0.229 0.913 321 1HB ALA 40 1HB ALA 40 -16.785 1.483 1.646 322 2HB ALA 40 2HB ALA 40 -16.396 0.504 3.061 323 3HB ALA 40 3HB ALA 40 -17.934 0.277 2.227 324 H LYS 41 H LYS 41 -18.148 -2.158 1.700 325 HA LYS 41 HA LYS 41 -16.604 -3.890 3.509 326 1HB LYS 41 2HB LYS 41 -18.782 -4.874 3.976 327 2HB LYS 41 1HB LYS 41 -18.929 -3.119 3.966 328 1HG LYS 41 2HG LYS 41 -19.605 -3.385 1.485 329 2HG LYS 41 1HG LYS 41 -19.830 -5.089 1.864 330 1HD LYS 41 2HD LYS 41 -21.963 -4.001 2.158 331 2HD LYS 41 1HD LYS 41 -21.336 -4.385 3.761 332 1HE LYS 41 2HE LYS 41 -20.281 -1.849 3.258 333 2HE LYS 41 1HE LYS 41 -21.923 -1.766 2.591 334 1HZ LYS 41 1HZ LYS 41 -21.192 -2.781 5.288 335 2HZ LYS 41 2HZ LYS 41 -22.762 -2.753 4.640 336 3HZ LYS 41 3HZ LYS 41 -21.947 -1.298 4.962 337 H LYS 42 H LYS 42 -17.222 -3.866 0.129 338 HA LYS 42 HA LYS 42 -17.317 -6.773 -0.233 339 1HB LYS 42 2HB LYS 42 -18.415 -5.205 -1.774 340 2HB LYS 42 1HB LYS 42 -16.871 -4.426 -2.114 341 1HG LYS 42 2HG LYS 42 -17.429 -5.979 -3.918 342 2HG LYS 42 1HG LYS 42 -16.025 -6.578 -3.036 343 1HD LYS 42 2HD LYS 42 -17.111 -8.498 -2.586 344 2HD LYS 42 1HD LYS 42 -18.369 -7.600 -1.740 345 1HE LYS 42 2HE LYS 42 -19.745 -8.380 -3.391 346 2HE LYS 42 1HE LYS 42 -18.991 -7.130 -4.402 347 1HZ LYS 42 1HZ LYS 42 -17.230 -8.705 -4.957 348 2HZ LYS 42 2HZ LYS 42 -18.748 -9.305 -5.428 349 3HZ LYS 42 3HZ LYS 42 -17.990 -9.906 -4.030 350 H LEU 43 H LEU 43 -14.941 -4.281 -1.256 351 HA LEU 43 HA LEU 43 -12.807 -5.917 -2.000 352 1HB LEU 43 2HB LEU 43 -12.959 -3.227 -0.630 353 2HB LEU 43 1HB LEU 43 -11.427 -3.899 -1.190 354 HG LEU 43 HG LEU 43 -13.782 -3.781 -3.055 355 1HD1 LEU 43 1HD1 LEU 43 -11.779 -1.543 -2.643 356 2HD1 LEU 43 2HD1 LEU 43 -13.436 -1.504 -2.040 357 3HD1 LEU 43 3HD1 LEU 43 -13.130 -1.560 -3.777 358 1HD2 LEU 43 1HD2 LEU 43 -10.804 -3.490 -3.532 359 2HD2 LEU 43 2HD2 LEU 43 -12.053 -3.785 -4.740 360 3HD2 LEU 43 3HD2 LEU 43 -11.645 -5.040 -3.570 361 H GLY 44 H GLY 44 -13.930 -5.249 1.263 362 1HA GLY 44 2HA GLY 44 -11.548 -6.031 2.671 363 2HA GLY 44 1HA GLY 44 -13.176 -6.011 3.353 364 H GLU 45 H GLU 45 -14.346 -7.820 1.439 365 HA GLU 45 HA GLU 45 -14.025 -10.328 2.659 366 1HB GLU 45 2HB GLU 45 -15.751 -9.405 0.964 367 2HB GLU 45 1HB GLU 45 -14.628 -9.961 -0.278 368 1HG GLU 45 2HG GLU 45 -14.670 -12.229 0.918 369 2HG GLU 45 1HG GLU 45 -16.062 -11.613 1.808 370 H MET 46 H MET 46 -12.176 -8.944 -0.036 371 HA MET 46 HA MET 46 -10.677 -11.438 -0.507 372 1HB MET 46 2HB MET 46 -10.405 -8.596 -1.543 373 2HB MET 46 1HB MET 46 -9.537 -9.990 -2.185 374 1HG MET 46 2HG MET 46 -11.853 -11.059 -2.528 375 2HG MET 46 1HG MET 46 -12.505 -9.442 -2.269 376 1HE MET 46 1HE MET 46 -11.134 -11.858 -5.017 377 2HE MET 46 2HE MET 46 -12.129 -10.896 -6.106 378 3HE MET 46 3HE MET 46 -12.779 -11.406 -4.551 379 H TRP 47 H TRP 47 -10.049 -8.197 0.843 380 HA TRP 47 HA TRP 47 -7.301 -8.342 1.370 381 1HB TRP 47 2HB TRP 47 -8.846 -6.407 1.720 382 2HB TRP 47 1HB TRP 47 -9.463 -7.202 3.168 383 HD1 TRP 47 HD TRP 47 -8.328 -6.442 5.301 384 HE1 TRP 47 1HE TRP 47 -6.010 -5.513 5.940 385 HE3 TRP 47 3HE TRP 47 -6.046 -6.550 0.734 386 HZ2 TRP 47 2HZ TRP 47 -3.516 -4.898 4.679 387 HZ3 TRP 47 3HZ TRP 47 -3.701 -5.789 0.481 388 HH2 TRP 47 HH TRP 47 -2.434 -4.964 2.446 389 H SER 48 H SER 48 -9.960 -9.784 3.275 390 HA SER 48 HA SER 48 -8.118 -10.742 5.361 391 1HB SER 48 2HB SER 48 -10.560 -9.942 5.585 392 2HB SER 48 1HB SER 48 -11.010 -11.494 4.886 393 HG SER 48 HG SER 48 -10.081 -12.525 6.606 394 H GLU 49 H GLU 49 -9.674 -11.959 2.450 395 HA GLU 49 HA GLU 49 -9.483 -14.766 2.870 396 1HB GLU 49 2HB GLU 49 -9.518 -12.886 0.535 397 2HB GLU 49 1HB GLU 49 -9.159 -14.587 0.233 398 1HG GLU 49 2HG GLU 49 -11.527 -13.799 1.919 399 2HG GLU 49 1HG GLU 49 -11.646 -13.826 0.159 400 H GLN 50 H GLN 50 -7.076 -12.433 1.673 401 HA GLN 50 HA GLN 50 -5.036 -14.382 1.030 402 1HB GLN 50 2HB GLN 50 -4.958 -11.426 1.722 403 2HB GLN 50 1HB GLN 50 -3.595 -12.320 1.049 404 1HG GLN 50 2HG GLN 50 -6.132 -12.649 -0.436 405 2HG GLN 50 1HG GLN 50 -5.476 -11.012 -0.458 406 1HE2 GLN 50 1HE2 GLN 50 -3.602 -14.070 -0.320 407 2HE2 GLN 50 2HE2 GLN 50 -2.808 -13.830 -1.801 408 H SER 51 H SER 51 -2.908 -14.452 2.284 409 HA SER 51 HA SER 51 -3.200 -13.966 5.207 410 1HB SER 51 2HB SER 51 -2.444 -16.642 4.001 411 2HB SER 51 1HB SER 51 -2.707 -16.287 5.706 412 HG SER 51 HG SER 51 -4.480 -17.034 3.894 413 H ALA 52 H ALA 52 -1.448 -12.537 5.274 414 HA ALA 52 HA ALA 52 0.798 -11.807 5.205 415 1HB ALA 52 1HB ALA 52 1.270 -14.799 5.370 416 2HB ALA 52 2HB ALA 52 0.802 -13.798 6.744 417 3HB ALA 52 3HB ALA 52 2.349 -13.527 5.943 418 H LYS 53 H LYS 53 -0.273 -11.911 2.637 419 HA LYS 53 HA LYS 53 2.109 -12.740 1.039 420 1HB LYS 53 2HB LYS 53 -0.096 -14.298 1.185 421 2HB LYS 53 1HB LYS 53 -0.594 -13.218 -0.117 422 1HG LYS 53 2HG LYS 53 1.624 -13.701 -1.238 423 2HG LYS 53 1HG LYS 53 1.884 -14.954 -0.022 424 1HD LYS 53 2HD LYS 53 -0.375 -15.913 -0.716 425 2HD LYS 53 1HD LYS 53 -0.317 -14.812 -2.092 426 1HE LYS 53 2HE LYS 53 0.642 -16.800 -2.953 427 2HE LYS 53 1HE LYS 53 2.066 -15.847 -2.489 428 1HZ LYS 53 1HZ LYS 53 0.691 -17.844 -0.769 429 2HZ LYS 53 2HZ LYS 53 2.047 -16.921 -0.327 430 3HZ LYS 53 3HZ LYS 53 2.172 -18.086 -1.558 431 H ASP 54 H ASP 54 -1.159 -11.396 0.406 432 HA ASP 54 HA ASP 54 -0.282 -9.552 -1.607 433 1HB ASP 54 2HB ASP 54 -2.610 -10.497 -1.081 434 2HB ASP 54 1HB ASP 54 -2.705 -9.268 0.182 435 H LYS 55 H LYS 55 -0.356 -9.328 1.894 436 HA LYS 55 HA LYS 55 -0.149 -6.409 1.982 437 1HB LYS 55 2HB LYS 55 0.232 -8.644 3.997 438 2HB LYS 55 1HB LYS 55 0.269 -6.931 4.417 439 1HG LYS 55 2HG LYS 55 -1.994 -6.652 4.066 440 2HG LYS 55 1HG LYS 55 -2.065 -7.913 2.836 441 1HD LYS 55 2HD LYS 55 -3.190 -8.833 4.717 442 2HD LYS 55 1HD LYS 55 -1.586 -9.570 4.741 443 1HE LYS 55 2HE LYS 55 -0.830 -7.916 6.409 444 2HE LYS 55 1HE LYS 55 -2.432 -7.151 6.379 445 1HZ LYS 55 1HZ LYS 55 -3.424 -9.252 7.014 446 2HZ LYS 55 2HZ LYS 55 -2.262 -8.794 8.165 447 3HZ LYS 55 3HZ LYS 55 -1.904 -10.005 7.027 448 H GLN 56 H GLN 56 2.092 -9.154 2.161 449 HA GLN 56 HA GLN 56 4.447 -8.047 3.122 450 1HB GLN 56 2HB GLN 56 3.655 -10.129 1.182 451 2HB GLN 56 1HB GLN 56 5.323 -9.580 1.024 452 1HG GLN 56 2HG GLN 56 4.125 -10.361 3.688 453 2HG GLN 56 1HG GLN 56 4.933 -11.525 2.638 454 1HE2 GLN 56 1HE2 GLN 56 5.448 -8.723 4.727 455 2HE2 GLN 56 2HE2 GLN 56 7.144 -8.796 4.713 456 HA PRO 57 HA PRO 57 5.647 -6.162 -1.076 457 1HB PRO 57 2HB PRO 57 3.867 -6.156 -3.136 458 2HB PRO 57 1HB PRO 57 4.981 -7.505 -2.834 459 1HG PRO 57 2HG PRO 57 2.096 -7.260 -2.220 460 2HG PRO 57 1HG PRO 57 3.022 -8.677 -2.728 461 1HD PRO 57 2HD PRO 57 2.217 -8.163 -0.141 462 2HD PRO 57 1HD PRO 57 3.570 -9.222 -0.590 463 H TYR 58 H TYR 58 2.142 -5.806 -0.526 464 HA TYR 58 HA TYR 58 2.123 -2.980 -1.250 465 1HB TYR 58 2HB TYR 58 0.295 -5.125 -0.817 466 2HB TYR 58 1HB TYR 58 -0.179 -3.823 0.266 467 HD1 TYR 58 1HD TYR 58 -0.220 -5.032 -3.109 468 HD2 TYR 58 2HD TYR 58 -0.391 -1.451 -0.743 469 HE1 TYR 58 1HE TYR 58 -1.212 -3.813 -5.027 470 HE2 TYR 58 2HE TYR 58 -1.384 -0.233 -2.662 471 HH TYR 58 HH TYR 58 -1.228 -1.143 -5.695 472 H GLU 59 H GLU 59 3.455 -4.356 1.457 473 HA GLU 59 HA GLU 59 2.366 -2.312 3.340 474 1HB GLU 59 2HB GLU 59 3.460 -3.695 5.051 475 2HB GLU 59 1HB GLU 59 2.450 -4.697 4.016 476 1HG GLU 59 2HG GLU 59 4.237 -5.977 3.523 477 2HG GLU 59 1HG GLU 59 5.032 -4.577 2.805 478 H GLN 60 H GLN 60 5.169 -2.982 1.392 479 HA GLN 60 HA GLN 60 7.034 -1.382 2.978 480 1HB GLN 60 2HB GLN 60 8.543 -1.873 1.118 481 2HB GLN 60 1HB GLN 60 7.645 -3.330 1.526 482 1HG GLN 60 2HG GLN 60 5.970 -2.420 -0.322 483 2HG GLN 60 1HG GLN 60 7.404 -1.565 -0.884 484 1HE2 GLN 60 1HE2 GLN 60 9.378 -3.546 -0.190 485 2HE2 GLN 60 2HE2 GLN 60 9.132 -4.902 -1.181 486 H LYS 61 H LYS 61 4.802 -0.834 0.322 487 HA LYS 61 HA LYS 61 5.832 1.612 -0.724 488 1HB LYS 61 2HB LYS 61 4.028 0.182 -1.691 489 2HB LYS 61 1HB LYS 61 2.952 0.705 -0.395 490 1HG LYS 61 2HG LYS 61 2.944 2.952 -1.161 491 2HG LYS 61 1HG LYS 61 4.340 2.684 -2.206 492 1HD LYS 61 2HD LYS 61 2.819 0.924 -3.385 493 2HD LYS 61 1HD LYS 61 1.494 1.780 -2.593 494 1HE LYS 61 2HE LYS 61 3.581 3.281 -4.188 495 2HE LYS 61 1HE LYS 61 2.141 2.591 -4.962 496 1HZ LYS 61 1HZ LYS 61 0.769 3.723 -3.311 497 2HZ LYS 61 2HZ LYS 61 1.691 4.838 -4.201 498 3HZ LYS 61 3HZ LYS 61 2.150 4.421 -2.618 499 H ALA 62 H ALA 62 3.609 0.989 1.996 500 HA ALA 62 HA ALA 62 3.092 3.765 2.612 501 1HB ALA 62 1HB ALA 62 2.630 1.074 3.752 502 2HB ALA 62 2HB ALA 62 1.523 2.439 3.611 503 3HB ALA 62 3HB ALA 62 2.683 2.379 4.938 504 H ALA 63 H ALA 63 5.910 1.841 3.048 505 HA ALA 63 HA ALA 63 6.843 3.289 5.452 506 1HB ALA 63 1HB ALA 63 7.176 0.812 4.914 507 2HB ALA 63 2HB ALA 63 8.634 1.694 5.369 508 3HB ALA 63 3HB ALA 63 8.316 1.331 3.673 509 H LYS 64 H LYS 64 6.580 4.194 2.306 510 HA LYS 64 HA LYS 64 9.268 5.497 2.157 511 1HB LYS 64 2HB LYS 64 7.099 4.799 0.159 512 2HB LYS 64 1HB LYS 64 8.448 5.856 -0.255 513 1HG LYS 64 2HG LYS 64 8.802 3.074 0.892 514 2HG LYS 64 1HG LYS 64 8.812 3.421 -0.838 515 1HD LYS 64 2HD LYS 64 10.662 5.085 -0.409 516 2HD LYS 64 1HD LYS 64 10.728 4.490 1.251 517 1HE LYS 64 2HE LYS 64 11.431 2.319 0.562 518 2HE LYS 64 1HE LYS 64 10.978 2.628 -1.127 519 1HZ LYS 64 1HZ LYS 64 12.633 4.352 -1.257 520 2HZ LYS 64 2HZ LYS 64 13.379 2.920 -0.731 521 3HZ LYS 64 3HZ LYS 64 13.034 4.158 0.380 522 H LEU 65 H LEU 65 5.783 6.029 2.051 523 HA LEU 65 HA LEU 65 5.943 8.918 1.692 524 1HB LEU 65 2HB LEU 65 3.890 6.806 2.182 525 2HB LEU 65 1HB LEU 65 3.438 8.470 2.549 526 HG LEU 65 HG LEU 65 4.354 9.056 0.218 527 1HD1 LEU 65 1HD1 LEU 65 4.119 6.041 -0.008 528 2HD1 LEU 65 2HD1 LEU 65 5.587 6.998 -0.203 529 3HD1 LEU 65 3HD1 LEU 65 4.284 7.132 -1.384 530 1HD2 LEU 65 1HD2 LEU 65 2.221 8.811 -0.679 531 2HD2 LEU 65 2HD2 LEU 65 1.873 8.605 1.038 532 3HD2 LEU 65 3HD2 LEU 65 2.015 7.192 -0.009 533 H LYS 66 H LYS 66 6.745 7.031 4.353 534 HA LYS 66 HA LYS 66 5.573 8.810 6.404 535 1HB LYS 66 2HB LYS 66 5.821 6.239 6.473 536 2HB LYS 66 1HB LYS 66 7.536 6.537 6.762 537 1HG LYS 66 2HG LYS 66 7.161 7.498 8.843 538 2HG LYS 66 1HG LYS 66 5.518 7.993 8.433 539 1HD LYS 66 2HD LYS 66 4.647 5.836 8.763 540 2HD LYS 66 1HD LYS 66 6.229 5.072 8.599 541 1HE LYS 66 2HE LYS 66 5.753 7.013 10.854 542 2HE LYS 66 1HE LYS 66 5.213 5.329 11.003 543 1HZ LYS 66 1HZ LYS 66 7.947 6.180 10.206 544 2HZ LYS 66 2HZ LYS 66 7.414 4.579 10.403 545 3HZ LYS 66 3HZ LYS 66 7.519 5.613 11.747 546 H GLU 67 H GLU 67 8.572 8.334 4.651 547 HA GLU 67 HA GLU 67 10.222 9.836 6.569 548 1HB GLU 67 2HB GLU 67 10.514 8.417 3.953 549 2HB GLU 67 1HB GLU 67 11.735 9.621 4.369 550 1HG GLU 67 2HG GLU 67 12.078 8.478 6.553 551 2HG GLU 67 1HG GLU 67 10.925 7.238 6.059 552 H LYS 68 H LYS 68 8.121 10.595 3.917 553 HA LYS 68 HA LYS 68 9.418 13.246 3.479 554 1HB LYS 68 2HB LYS 68 7.658 11.370 1.984 555 2HB LYS 68 1HB LYS 68 7.387 13.089 1.692 556 1HG LYS 68 2HG LYS 68 9.031 12.574 0.105 557 2HG LYS 68 1HG LYS 68 9.990 13.194 1.448 558 1HD LYS 68 2HD LYS 68 11.088 11.188 0.841 559 2HD LYS 68 1HD LYS 68 10.117 10.738 2.243 560 1HE LYS 68 2HE LYS 68 8.396 9.773 0.823 561 2HE LYS 68 1HE LYS 68 9.214 10.369 -0.636 562 1HZ LYS 68 1HZ LYS 68 9.824 8.069 -0.194 563 2HZ LYS 68 2HZ LYS 68 10.369 8.489 1.359 564 3HZ LYS 68 3HZ LYS 68 11.171 9.084 -0.017 565 H TYR 69 H TYR 69 6.540 11.696 4.769 566 HA TYR 69 HA TYR 69 4.941 14.137 4.969 567 1HB TYR 69 2HB TYR 69 4.047 11.813 4.754 568 2HB TYR 69 1HB TYR 69 4.721 11.430 6.336 569 HD1 TYR 69 1HD TYR 69 1.901 12.745 4.581 570 HD2 TYR 69 2HD TYR 69 3.981 12.923 8.333 571 HE1 TYR 69 1HE TYR 69 -0.135 13.658 5.664 572 HE2 TYR 69 2HE TYR 69 1.947 13.836 9.418 573 HH TYR 69 HH TYR 69 -0.664 13.671 8.859 574 H GLU 70 H GLU 70 6.632 12.043 7.316 575 HA GLU 70 HA GLU 70 6.182 13.622 9.641 576 1HB GLU 70 2HB GLU 70 8.199 11.578 8.750 577 2HB GLU 70 1HB GLU 70 8.390 12.365 10.316 578 1HG GLU 70 2HG GLU 70 5.900 11.742 10.696 579 2HG GLU 70 1HG GLU 70 6.130 10.617 9.357 580 H LYS 71 H LYS 71 8.281 14.269 6.940 581 HA LYS 71 HA LYS 71 9.888 16.189 8.573 582 1HB LYS 71 2HB LYS 71 10.239 14.833 5.887 583 2HB LYS 71 1HB LYS 71 11.302 16.127 6.439 584 1HG LYS 71 2HG LYS 71 11.801 14.792 8.489 585 2HG LYS 71 1HG LYS 71 10.827 13.476 7.831 586 1HD LYS 71 2HD LYS 71 12.354 13.684 5.739 587 2HD LYS 71 1HD LYS 71 13.441 14.572 6.808 588 1HE LYS 71 2HE LYS 71 13.627 12.680 8.310 589 2HE LYS 71 1HE LYS 71 12.361 11.800 7.430 590 1HZ LYS 71 1HZ LYS 71 13.702 11.791 5.468 591 2HZ LYS 71 2HZ LYS 71 14.649 11.183 6.741 592 3HZ LYS 71 3HZ LYS 71 14.879 12.774 6.191 593 H ASP 72 H ASP 72 7.672 15.893 5.843 594 HA ASP 72 HA ASP 72 7.952 18.718 5.057 595 1HB ASP 72 2HB ASP 72 7.557 16.740 3.523 596 2HB ASP 72 1HB ASP 72 5.932 16.625 4.201 597 H ILE 73 H ILE 73 5.715 16.705 6.926 598 HA ILE 73 HA ILE 73 3.546 18.591 7.056 599 HB ILE 73 HB ILE 73 3.530 16.108 7.565 600 1HG1 ILE 73 2HG1 ILE 73 2.043 16.443 9.668 601 2HG1 ILE 73 1HG1 ILE 73 2.383 18.160 9.449 602 1HG2 ILE 73 1HG2 ILE 73 4.315 15.273 9.640 603 2HG2 ILE 73 2HG2 ILE 73 4.517 16.892 10.310 604 3HG2 ILE 73 3HG2 ILE 73 5.621 16.310 9.065 605 1HD1 ILE 73 1HD1 ILE 73 1.296 16.376 7.254 606 2HD1 ILE 73 2HD1 ILE 73 1.457 18.131 7.217 607 3HD1 ILE 73 3HD1 ILE 73 0.282 17.376 8.293 608 H ALA 74 H ALA 74 6.538 18.237 8.861 609 HA ALA 74 HA ALA 74 6.080 19.706 11.203 610 1HB ALA 74 1HB ALA 74 8.451 19.598 9.318 611 2HB ALA 74 2HB ALA 74 8.171 18.596 10.742 612 3HB ALA 74 3HB ALA 74 8.533 20.312 10.929 613 H ALA 75 H ALA 75 6.519 20.928 7.911 614 HA ALA 75 HA ALA 75 6.725 23.736 8.679 615 1HB ALA 75 1HB ALA 75 6.079 22.330 6.066 616 2HB ALA 75 2HB ALA 75 7.683 22.816 6.613 617 3HB ALA 75 3HB ALA 75 6.478 24.041 6.217 618 H TYR 76 H TYR 76 4.108 21.551 8.609 619 HA TYR 76 HA TYR 76 2.105 23.699 8.066 620 1HB TYR 76 2HB TYR 76 2.104 21.525 6.789 621 2HB TYR 76 1HB TYR 76 1.783 20.691 8.309 622 HD1 TYR 76 1HD TYR 76 0.474 23.438 6.128 623 HD2 TYR 76 2HD TYR 76 -0.423 20.451 9.082 624 HE1 TYR 76 1HE TYR 76 -1.945 23.925 5.885 625 HE2 TYR 76 2HE TYR 76 -2.843 20.938 8.839 626 HH TYR 76 HH TYR 76 -4.285 22.045 6.666 627 H ARG 77 H ARG 77 3.680 22.249 10.671 628 HA ARG 77 HA ARG 77 1.315 22.638 12.477 629 1HB ARG 77 2HB ARG 77 3.559 20.654 12.330 630 2HB ARG 77 1HB ARG 77 2.856 21.021 13.906 631 1HG ARG 77 2HG ARG 77 0.586 20.546 12.918 632 2HG ARG 77 1HG ARG 77 1.403 19.986 11.458 633 1HD ARG 77 2HD ARG 77 2.229 18.077 12.488 634 2HD ARG 77 1HD ARG 77 2.272 18.838 14.092 635 HE ARG 77 HE ARG 77 -0.355 18.287 12.782 636 1HH1 ARG 77 1HH1 ARG 77 -0.089 19.439 15.568 637 2HH1 ARG 77 2HH1 ARG 77 -0.330 18.031 16.550 638 1HH2 ARG 77 1HH2 ARG 77 0.193 15.802 13.946 639 2HH2 ARG 77 2HH2 ARG 77 -0.170 15.973 15.631 640 H ALA 78 H ALA 78 4.743 23.309 11.939 641 HA ALA 78 HA ALA 78 6.242 24.768 13.034 642 1HB ALA 78 1HB ALA 78 5.222 26.873 13.640 643 2HB ALA 78 2HB ALA 78 3.657 26.101 13.891 644 3HB ALA 78 3HB ALA 78 4.323 26.236 12.263 645 H LYS 79 H LYS 79 6.610 22.862 14.577 646 HA LYS 79 HA LYS 79 5.574 23.457 17.326 647 1HB LYS 79 2HB LYS 79 6.101 21.057 17.732 648 2HB LYS 79 1HB LYS 79 4.968 21.265 16.398 649 1HG LYS 79 2HG LYS 79 7.719 21.368 15.451 650 2HG LYS 79 1HG LYS 79 7.412 19.871 16.329 651 1HD LYS 79 2HD LYS 79 5.469 20.862 14.248 652 2HD LYS 79 1HD LYS 79 6.887 19.921 13.786 653 1HE LYS 79 2HE LYS 79 6.085 18.261 15.655 654 2HE LYS 79 1HE LYS 79 4.519 19.070 15.442 655 1HZ LYS 79 1HZ LYS 79 4.738 17.228 13.892 656 2HZ LYS 79 2HZ LYS 79 6.176 17.889 13.274 657 3HZ LYS 79 3HZ LYS 79 4.701 18.702 13.054 Start of MODEL 20 1 1H MET 1 1HT MET 1 -10.395 18.455 -1.816 2 2H MET 1 2HT MET 1 -11.329 17.067 -1.517 3 3H MET 1 3HT MET 1 -11.800 18.168 -2.722 4 HA MET 1 HA MET 1 -10.767 16.156 -3.671 5 1HB MET 1 2HB MET 1 -10.585 18.780 -4.329 6 2HB MET 1 1HB MET 1 -8.871 18.390 -4.174 7 1HG MET 1 2HG MET 1 -9.074 16.586 -5.779 8 2HG MET 1 1HG MET 1 -10.826 16.778 -5.836 9 1HE MET 1 1HE MET 1 -7.399 18.370 -6.395 10 2HE MET 1 2HE MET 1 -8.205 19.686 -5.545 11 3HE MET 1 3HE MET 1 -7.740 19.891 -7.232 12 H LYS 2 H LYS 2 -8.404 15.446 -4.269 13 HA LYS 2 HA LYS 2 -6.980 14.901 -1.736 14 1HB LYS 2 2HB LYS 2 -7.203 13.811 -4.473 15 2HB LYS 2 1HB LYS 2 -5.601 13.665 -3.749 16 1HG LYS 2 2HG LYS 2 -7.271 12.939 -1.662 17 2HG LYS 2 1HG LYS 2 -8.095 12.270 -3.067 18 1HD LYS 2 2HD LYS 2 -5.687 11.431 -3.719 19 2HD LYS 2 1HD LYS 2 -5.365 11.646 -2.000 20 1HE LYS 2 2HE LYS 2 -7.903 10.254 -2.543 21 2HE LYS 2 1HE LYS 2 -6.465 9.383 -3.113 22 1HZ LYS 2 1HZ LYS 2 -5.428 9.759 -0.956 23 2HZ LYS 2 2HZ LYS 2 -6.883 8.899 -0.779 24 3HZ LYS 2 3HZ LYS 2 -6.821 10.555 -0.405 25 H LYS 3 H LYS 3 -4.425 14.872 -2.104 26 HA LYS 3 HA LYS 3 -2.481 16.204 -2.268 27 1HB LYS 3 2HB LYS 3 -3.524 15.726 -4.735 28 2HB LYS 3 1HB LYS 3 -3.513 17.490 -4.737 29 1HG LYS 3 2HG LYS 3 -1.066 17.138 -3.765 30 2HG LYS 3 1HG LYS 3 -1.213 15.583 -4.583 31 1HD LYS 3 2HD LYS 3 -1.834 18.202 -5.960 32 2HD LYS 3 1HD LYS 3 -0.224 17.482 -5.977 33 1HE LYS 3 2HE LYS 3 -0.969 15.568 -7.179 34 2HE LYS 3 1HE LYS 3 -2.675 15.922 -6.836 35 1HZ LYS 3 1HZ LYS 3 -2.019 16.653 -9.073 36 2HZ LYS 3 2HZ LYS 3 -0.847 17.676 -8.392 37 3HZ LYS 3 3HZ LYS 3 -2.497 17.956 -8.098 38 H LYS 4 H LYS 4 -2.833 17.653 -0.513 39 HA LYS 4 HA LYS 4 -4.580 19.893 -0.487 40 1HB LYS 4 2HB LYS 4 -2.027 19.117 0.911 41 2HB LYS 4 1HB LYS 4 -2.774 20.682 1.237 42 1HG LYS 4 2HG LYS 4 -4.894 19.541 1.817 43 2HG LYS 4 1HG LYS 4 -4.125 17.981 1.524 44 1HD LYS 4 2HD LYS 4 -2.516 18.391 3.310 45 2HD LYS 4 1HD LYS 4 -3.166 20.011 3.561 46 1HE LYS 4 2HE LYS 4 -5.014 17.641 3.743 47 2HE LYS 4 1HE LYS 4 -3.991 18.071 5.128 48 1HZ LYS 4 1HZ LYS 4 -6.086 19.278 5.208 49 2HZ LYS 4 2HZ LYS 4 -5.801 19.921 3.662 50 3HZ LYS 4 3HZ LYS 4 -4.795 20.350 4.963 51 H ASP 5 H ASP 5 -1.022 20.170 -0.704 52 HA ASP 5 HA ASP 5 -1.404 22.464 -2.603 53 1HB ASP 5 2HB ASP 5 0.365 21.937 -0.238 54 2HB ASP 5 1HB ASP 5 0.952 23.009 -1.509 55 HA PRO 6 HA PRO 6 1.227 20.379 -5.458 56 1HB PRO 6 2HB PRO 6 2.792 22.380 -6.470 57 2HB PRO 6 1HB PRO 6 1.072 22.202 -6.869 58 1HG PRO 6 2HG PRO 6 2.387 24.052 -4.946 59 2HG PRO 6 1HG PRO 6 1.018 24.337 -6.032 60 1HD PRO 6 2HD PRO 6 0.752 23.862 -3.358 61 2HD PRO 6 1HD PRO 6 -0.500 23.471 -4.558 62 H ASN 7 H ASN 7 2.712 22.222 -2.886 63 HA ASN 7 HA ASN 7 5.326 20.831 -3.299 64 1HB ASN 7 2HB ASN 7 5.028 23.383 -3.072 65 2HB ASN 7 1HB ASN 7 4.665 23.069 -1.375 66 1HD2 ASN 7 1HD2 ASN 7 6.568 23.741 -0.318 67 2HD2 ASN 7 2HD2 ASN 7 8.120 23.166 -0.694 68 H ALA 8 H ALA 8 2.563 21.077 -1.156 69 HA ALA 8 HA ALA 8 3.852 19.747 1.114 70 1HB ALA 8 1HB ALA 8 0.889 20.014 0.629 71 2HB ALA 8 2HB ALA 8 1.862 21.439 0.993 72 3HB ALA 8 3HB ALA 8 1.768 20.116 2.155 73 HA PRO 9 HA PRO 9 3.102 15.662 -0.473 74 1HB PRO 9 2HB PRO 9 3.409 14.225 1.831 75 2HB PRO 9 1HB PRO 9 4.778 14.915 0.939 76 1HG PRO 9 2HG PRO 9 3.435 15.898 3.400 77 2HG PRO 9 1HG PRO 9 5.149 15.930 2.958 78 1HD PRO 9 2HD PRO 9 3.479 18.097 2.792 79 2HD PRO 9 1HD PRO 9 4.946 17.891 1.810 80 H LYS 10 H LYS 10 1.229 14.443 -0.737 81 HA LYS 10 HA LYS 10 -1.246 15.265 0.411 82 1HB LYS 10 2HB LYS 10 -2.081 13.189 -0.685 83 2HB LYS 10 1HB LYS 10 -1.010 14.108 -1.742 84 1HG LYS 10 2HG LYS 10 0.563 12.281 -0.149 85 2HG LYS 10 1HG LYS 10 -0.741 11.395 -0.936 86 1HD LYS 10 2HD LYS 10 -0.086 12.458 -3.108 87 2HD LYS 10 1HD LYS 10 1.296 13.188 -2.288 88 1HE LYS 10 2HE LYS 10 2.296 11.065 -1.852 89 2HE LYS 10 1HE LYS 10 0.801 10.197 -2.254 90 1HZ LYS 10 1HZ LYS 10 2.352 11.895 -4.137 91 2HZ LYS 10 2HZ LYS 10 0.940 11.024 -4.506 92 3HZ LYS 10 3HZ LYS 10 2.374 10.199 -4.117 93 H ARG 11 H ARG 11 -2.561 12.971 1.279 94 HA ARG 11 HA ARG 11 -1.695 12.757 4.030 95 1HB ARG 11 2HB ARG 11 -3.842 11.747 2.246 96 2HB ARG 11 1HB ARG 11 -3.505 10.751 3.663 97 1HG ARG 11 2HG ARG 11 -5.135 12.299 4.412 98 2HG ARG 11 1HG ARG 11 -3.608 12.955 5.004 99 1HD ARG 11 2HD ARG 11 -3.497 14.450 3.011 100 2HD ARG 11 1HD ARG 11 -5.081 13.836 2.494 101 HE ARG 11 HE ARG 11 -4.581 15.534 4.868 102 1HH1 ARG 11 1HH2 ARG 11 -6.696 15.793 2.609 103 2HH1 ARG 11 2HH2 ARG 11 -8.136 15.422 3.498 104 1HH2 ARG 11 1HH1 ARG 11 -6.438 14.078 6.206 105 2HH2 ARG 11 2HH1 ARG 11 -7.990 14.452 5.534 106 HA PRO 12 HA PRO 12 1.080 9.345 3.492 107 1HB PRO 12 2HB PRO 12 1.193 8.426 6.062 108 2HB PRO 12 1HB PRO 12 2.007 9.910 5.532 109 1HG PRO 12 2HG PRO 12 -0.516 9.579 7.052 110 2HG PRO 12 1HG PRO 12 0.726 10.832 7.173 111 1HD PRO 12 2HD PRO 12 -1.695 11.137 5.888 112 2HD PRO 12 1HD PRO 12 -0.248 12.120 5.576 113 HA PRO 13 HA PRO 13 -1.995 6.082 3.253 114 1HB PRO 13 2HB PRO 13 -0.551 4.337 1.730 115 2HB PRO 13 1HB PRO 13 -1.347 5.773 1.059 116 1HG PRO 13 2HG PRO 13 1.508 5.284 1.602 117 2HG PRO 13 1HG PRO 13 0.747 6.335 0.401 118 1HD PRO 13 2HD PRO 13 1.893 7.130 2.841 119 2HD PRO 13 1HD PRO 13 0.885 8.127 1.773 120 H SER 14 H SER 14 -1.683 3.462 3.479 121 HA SER 14 HA SER 14 0.460 2.605 5.259 122 1HB SER 14 2HB SER 14 -0.910 4.077 6.720 123 2HB SER 14 1HB SER 14 -2.322 3.080 6.381 124 HG SER 14 HG SER 14 -1.497 2.252 8.222 125 H ALA 15 H ALA 15 -0.256 1.336 2.965 126 HA ALA 15 HA ALA 15 -0.761 -0.788 2.156 127 1HB ALA 15 1HB ALA 15 -1.897 -1.992 4.534 128 2HB ALA 15 2HB ALA 15 -0.427 -1.112 4.951 129 3HB ALA 15 3HB ALA 15 -0.381 -2.373 3.720 130 H PHE 16 H PHE 16 -3.296 -0.598 4.691 131 HA PHE 16 HA PHE 16 -5.466 -1.411 3.140 132 1HB PHE 16 2HB PHE 16 -5.218 -0.850 5.636 133 2HB PHE 16 1HB PHE 16 -5.598 0.810 5.180 134 HD1 PHE 16 1HD PHE 16 -7.829 1.480 4.730 135 HD2 PHE 16 2HD PHE 16 -6.867 -2.694 5.034 136 HE1 PHE 16 1HE PHE 16 -10.244 0.920 4.681 137 HE2 PHE 16 2HE PHE 16 -9.281 -3.255 4.986 138 HZ PHE 16 HZ PHE 16 -10.971 -1.448 4.809 139 H PHE 17 H PHE 17 -4.423 1.979 3.661 140 HA PHE 17 HA PHE 17 -6.361 3.251 2.009 141 1HB PHE 17 2HB PHE 17 -4.385 4.054 3.640 142 2HB PHE 17 1HB PHE 17 -3.543 4.252 2.103 143 HD1 PHE 17 1HD PHE 17 -6.748 5.101 3.839 144 HD2 PHE 17 2HD PHE 17 -3.928 6.151 0.773 145 HE1 PHE 17 1HE PHE 17 -7.973 7.220 3.438 146 HE2 PHE 17 2HE PHE 17 -5.154 8.270 0.371 147 HZ PHE 17 HZ PHE 17 -7.176 8.803 1.703 148 H LEU 18 H LEU 18 -3.219 1.785 1.227 149 HA LEU 18 HA LEU 18 -3.101 2.609 -1.523 150 1HB LEU 18 2HB LEU 18 -1.947 0.141 -0.176 151 2HB LEU 18 1HB LEU 18 -1.362 0.889 -1.658 152 HG LEU 18 HG LEU 18 -1.325 2.125 1.118 153 1HD1 LEU 18 1HD1 LEU 18 0.649 0.716 -0.602 154 2HD1 LEU 18 2HD1 LEU 18 0.532 0.786 1.156 155 3HD1 LEU 18 3HD1 LEU 18 1.229 2.139 0.265 156 1HD2 LEU 18 1HD2 LEU 18 -0.649 3.224 -1.620 157 2HD2 LEU 18 2HD2 LEU 18 0.077 3.889 -0.157 158 3HD2 LEU 18 3HD2 LEU 18 -1.672 3.945 -0.378 159 H PHE 19 H PHE 19 -4.271 -0.397 0.042 160 HA PHE 19 HA PHE 19 -5.012 -1.765 -2.368 161 1HB PHE 19 2HB PHE 19 -4.729 -2.654 0.009 162 2HB PHE 19 1HB PHE 19 -6.316 -1.969 0.363 163 HD1 PHE 19 1HD PHE 19 -8.289 -3.127 -0.219 164 HD2 PHE 19 2HD PHE 19 -4.537 -4.308 -1.945 165 HE1 PHE 19 1HE PHE 19 -9.374 -5.124 -1.213 166 HE2 PHE 19 2HE PHE 19 -5.621 -6.304 -2.938 167 HZ PHE 19 HZ PHE 19 -8.039 -6.712 -2.572 168 H CYS 20 H CYS 20 -6.968 0.163 -0.066 169 HA CYS 20 HA CYS 20 -9.427 0.036 -1.545 170 1HB CYS 20 2HB CYS 20 -8.891 0.789 0.879 171 2HB CYS 20 1HB CYS 20 -8.507 2.354 0.165 172 HG CYS 20 HG CYS 20 -11.088 1.987 -0.932 173 H SER 21 H SER 21 -6.574 2.075 -1.821 174 HA SER 21 HA SER 21 -7.890 3.860 -3.795 175 1HB SER 21 2HB SER 21 -5.899 5.193 -3.490 176 2HB SER 21 1HB SER 21 -6.402 4.629 -1.899 177 HG SER 21 HG SER 21 -4.284 3.743 -3.539 178 H GLU 22 H GLU 22 -6.840 0.845 -4.169 179 HA GLU 22 HA GLU 22 -5.609 1.413 -6.825 180 1HB GLU 22 2HB GLU 22 -4.606 -0.360 -4.615 181 2HB GLU 22 1HB GLU 22 -4.048 -0.530 -6.274 182 1HG GLU 22 2HG GLU 22 -3.926 2.065 -4.714 183 2HG GLU 22 1HG GLU 22 -2.575 0.940 -4.856 184 H TYR 23 H TYR 23 -7.987 -0.297 -5.075 185 HA TYR 23 HA TYR 23 -8.203 -2.352 -7.246 186 1HB TYR 23 2HB TYR 23 -8.405 -2.400 -4.282 187 2HB TYR 23 1HB TYR 23 -9.577 -3.394 -5.147 188 HD1 TYR 23 1HD TYR 23 -8.943 -5.460 -6.108 189 HD2 TYR 23 2HD TYR 23 -5.925 -2.671 -4.859 190 HE1 TYR 23 1HE TYR 23 -7.193 -7.171 -6.514 191 HE2 TYR 23 2HE TYR 23 -4.177 -4.381 -5.264 192 HH TYR 23 HH TYR 23 -4.533 -6.976 -7.090 193 H ARG 24 H ARG 24 -9.912 0.020 -5.260 194 HA ARG 24 HA ARG 24 -12.592 -0.547 -5.687 195 1HB ARG 24 2HB ARG 24 -11.024 2.023 -5.597 196 2HB ARG 24 1HB ARG 24 -12.784 2.019 -5.733 197 1HG ARG 24 2HG ARG 24 -12.871 0.536 -3.705 198 2HG ARG 24 1HG ARG 24 -11.133 0.775 -3.521 199 1HD ARG 24 2HD ARG 24 -11.395 2.899 -2.713 200 2HD ARG 24 1HD ARG 24 -12.702 3.269 -3.855 201 HE ARG 24 HE ARG 24 -13.182 1.449 -1.530 202 1HH1 ARG 24 1HH2 ARG 24 -15.129 2.447 -3.791 203 2HH1 ARG 24 2HH2 ARG 24 -16.089 3.555 -2.868 204 1HH2 ARG 24 1HH1 ARG 24 -13.892 3.637 -0.186 205 2HH2 ARG 24 2HH1 ARG 24 -15.389 4.229 -0.828 206 HA PRO 25 HA PRO 25 -12.603 1.859 -9.918 207 1HB PRO 25 2HB PRO 25 -10.194 1.875 -11.256 208 2HB PRO 25 1HB PRO 25 -10.766 3.212 -10.237 209 1HG PRO 25 2HG PRO 25 -8.905 0.974 -9.539 210 2HG PRO 25 1HG PRO 25 -8.741 2.712 -9.215 211 1HD PRO 25 2HD PRO 25 -9.553 1.087 -7.298 212 2HD PRO 25 1HD PRO 25 -10.331 2.672 -7.496 213 H LYS 26 H LYS 26 -10.548 -0.908 -9.255 214 HA LYS 26 HA LYS 26 -10.968 -2.306 -11.768 215 1HB LYS 26 2HB LYS 26 -9.230 -2.671 -9.870 216 2HB LYS 26 1HB LYS 26 -10.537 -3.516 -9.032 217 1HG LYS 26 2HG LYS 26 -9.867 -4.235 -11.876 218 2HG LYS 26 1HG LYS 26 -8.907 -4.895 -10.552 219 1HD LYS 26 2HD LYS 26 -11.229 -5.496 -9.505 220 2HD LYS 26 1HD LYS 26 -11.823 -5.312 -11.156 221 1HE LYS 26 2HE LYS 26 -9.962 -6.915 -11.873 222 2HE LYS 26 1HE LYS 26 -9.732 -7.262 -10.147 223 1HZ LYS 26 1HZ LYS 26 -11.361 -8.766 -11.163 224 2HZ LYS 26 2HZ LYS 26 -12.323 -7.435 -11.597 225 3HZ LYS 26 3HZ LYS 26 -12.066 -7.804 -9.958 226 H ILE 27 H ILE 27 -12.453 -2.393 -8.545 227 HA ILE 27 HA ILE 27 -14.443 -4.367 -8.985 228 HB ILE 27 HB ILE 27 -14.462 -1.868 -7.250 229 1HG1 ILE 27 2HG1 ILE 27 -12.480 -3.244 -6.804 230 2HG1 ILE 27 1HG1 ILE 27 -13.615 -3.378 -5.469 231 1HG2 ILE 27 1HG2 ILE 27 -15.998 -3.195 -5.805 232 2HG2 ILE 27 2HG2 ILE 27 -16.035 -4.450 -7.044 233 3HG2 ILE 27 3HG2 ILE 27 -16.683 -2.846 -7.392 234 1HD1 ILE 27 1HD1 ILE 27 -13.030 -5.388 -7.637 235 2HD1 ILE 27 2HD1 ILE 27 -14.517 -5.461 -6.690 236 3HD1 ILE 27 3HD1 ILE 27 -12.952 -5.602 -5.888 237 H LYS 28 H LYS 28 -14.246 -1.096 -10.195 238 HA LYS 28 HA LYS 28 -17.162 -0.837 -10.509 239 1HB LYS 28 2HB LYS 28 -15.109 0.972 -11.776 240 2HB LYS 28 1HB LYS 28 -16.694 1.378 -11.130 241 1HG LYS 28 2HG LYS 28 -14.141 0.836 -9.647 242 2HG LYS 28 1HG LYS 28 -15.126 2.279 -9.590 243 1HD LYS 28 2HD LYS 28 -15.786 -0.433 -8.379 244 2HD LYS 28 1HD LYS 28 -15.433 1.060 -7.518 245 1HE LYS 28 2HE LYS 28 -17.812 0.684 -9.377 246 2HE LYS 28 1HE LYS 28 -17.886 0.628 -7.604 247 1HZ LYS 28 1HZ LYS 28 -18.344 2.857 -8.257 248 2HZ LYS 28 2HZ LYS 28 -17.001 2.902 -9.297 249 3HZ LYS 28 3HZ LYS 28 -16.775 2.843 -7.614 250 H SER 29 H SER 29 -14.400 -1.791 -12.449 251 HA SER 29 HA SER 29 -15.646 -1.521 -15.042 252 1HB SER 29 2HB SER 29 -13.172 -1.765 -14.366 253 2HB SER 29 1HB SER 29 -13.496 -3.490 -14.240 254 HG SER 29 HG SER 29 -13.097 -1.970 -16.431 255 H GLU 30 H GLU 30 -16.123 -3.814 -12.484 256 HA GLU 30 HA GLU 30 -17.620 -5.583 -14.387 257 1HB GLU 30 2HB GLU 30 -15.444 -6.141 -12.442 258 2HB GLU 30 1HB GLU 30 -16.750 -7.323 -12.508 259 1HG GLU 30 2HG GLU 30 -15.379 -6.315 -15.005 260 2HG GLU 30 1HG GLU 30 -14.779 -7.710 -14.107 261 H HIS 31 H HIS 31 -17.964 -3.555 -11.768 262 HA HIS 31 HA HIS 31 -20.446 -4.978 -10.932 263 1HB HIS 31 2HB HIS 31 -18.462 -3.794 -8.960 264 2HB HIS 31 1HB HIS 31 -19.902 -4.728 -8.586 265 HD1 HIS 31 1HD HIS 31 -16.332 -5.103 -9.170 266 HD2 HIS 31 2HD HIS 31 -19.688 -7.538 -9.599 267 HE1 HIS 31 1HE HIS 31 -15.475 -7.478 -9.336 268 HA PRO 32 HA PRO 32 -21.191 -0.533 -11.660 269 1HB PRO 32 2HB PRO 32 -23.728 -0.843 -12.639 270 2HB PRO 32 1HB PRO 32 -22.277 -1.001 -13.639 271 1HG PRO 32 2HG PRO 32 -24.026 -3.106 -12.515 272 2HG PRO 32 1HG PRO 32 -23.124 -3.075 -14.038 273 1HD PRO 32 2HD PRO 32 -22.351 -4.444 -11.772 274 2HD PRO 32 1HD PRO 32 -21.268 -3.965 -13.094 275 H GLY 33 H GLY 33 -23.276 -2.965 -10.170 276 1HA GLY 33 2HA GLY 33 -24.889 -1.074 -8.683 277 2HA GLY 33 1HA GLY 33 -24.795 -2.810 -8.393 278 H LEU 34 H LEU 34 -21.868 -2.774 -8.126 279 HA LEU 34 HA LEU 34 -21.440 -2.690 -5.388 280 1HB LEU 34 2HB LEU 34 -19.917 -2.788 -7.814 281 2HB LEU 34 1HB LEU 34 -19.090 -1.699 -6.709 282 HG LEU 34 HG LEU 34 -18.344 -4.056 -6.449 283 1HD1 LEU 34 1HD1 LEU 34 -18.911 -4.177 -3.925 284 2HD1 LEU 34 2HD1 LEU 34 -19.768 -2.660 -4.193 285 3HD1 LEU 34 3HD1 LEU 34 -18.037 -2.763 -4.509 286 1HD2 LEU 34 1HD2 LEU 34 -20.885 -4.809 -5.100 287 2HD2 LEU 34 2HD2 LEU 34 -19.772 -5.804 -6.038 288 3HD2 LEU 34 3HD2 LEU 34 -20.928 -4.758 -6.863 289 H SER 35 H SER 35 -22.527 -0.851 -4.426 290 HA SER 35 HA SER 35 -21.605 1.881 -5.083 291 1HB SER 35 2HB SER 35 -23.984 1.249 -4.575 292 2HB SER 35 1HB SER 35 -23.484 0.839 -2.936 293 HG SER 35 HG SER 35 -24.326 3.048 -3.355 294 H ILE 36 H ILE 36 -20.987 3.284 -3.092 295 HA ILE 36 HA ILE 36 -18.590 2.399 -1.903 296 HB ILE 36 HB ILE 36 -20.634 4.495 -1.114 297 1HG1 ILE 36 2HG1 ILE 36 -18.367 5.788 -1.897 298 2HG1 ILE 36 1HG1 ILE 36 -18.239 4.321 -2.865 299 1HG2 ILE 36 1HG2 ILE 36 -18.628 5.462 0.200 300 2HG2 ILE 36 2HG2 ILE 36 -17.944 3.839 0.110 301 3HG2 ILE 36 3HG2 ILE 36 -19.480 4.103 0.934 302 1HD1 ILE 36 1HD1 ILE 36 -20.132 4.799 -4.091 303 2HD1 ILE 36 2HD1 ILE 36 -19.611 6.443 -3.721 304 3HD1 ILE 36 3HD1 ILE 36 -20.891 5.688 -2.770 305 H GLY 37 H GLY 37 -21.897 1.772 -0.922 306 1HA GLY 37 2HA GLY 37 -21.439 1.073 1.813 307 2HA GLY 37 1HA GLY 37 -22.770 0.465 0.824 308 H ASP 38 H ASP 38 -21.976 -1.198 -0.905 309 HA ASP 38 HA ASP 38 -20.701 -3.403 0.509 310 1HB ASP 38 2HB ASP 38 -22.569 -3.329 -1.323 311 2HB ASP 38 1HB ASP 38 -21.220 -3.262 -2.455 312 H THR 39 H THR 39 -19.673 -0.979 -1.805 313 HA THR 39 HA THR 39 -17.236 -2.257 -2.686 314 HB THR 39 HB THR 39 -18.111 0.641 -2.564 315 HG1 THR 39 1HG THR 39 -18.820 0.272 -4.615 316 1HG2 THR 39 1HG2 THR 39 -15.754 0.687 -2.878 317 2HG2 THR 39 2HG2 THR 39 -16.438 0.834 -4.497 318 3HG2 THR 39 3HG2 THR 39 -15.796 -0.715 -3.948 319 H ALA 40 H ALA 40 -18.081 -0.294 0.126 320 HA ALA 40 HA ALA 40 -15.308 0.235 0.897 321 1HB ALA 40 1HB ALA 40 -18.008 0.492 2.255 322 2HB ALA 40 2HB ALA 40 -17.077 1.779 1.492 323 3HB ALA 40 3HB ALA 40 -16.499 1.040 2.985 324 H LYS 41 H LYS 41 -17.685 -2.273 1.462 325 HA LYS 41 HA LYS 41 -15.956 -3.486 3.563 326 1HB LYS 41 2HB LYS 41 -17.953 -4.741 4.182 327 2HB LYS 41 1HB LYS 41 -18.354 -3.030 4.058 328 1HG LYS 41 2HG LYS 41 -19.157 -3.460 1.722 329 2HG LYS 41 1HG LYS 41 -18.912 -5.180 2.000 330 1HD LYS 41 2HD LYS 41 -21.209 -4.794 2.492 331 2HD LYS 41 1HD LYS 41 -20.409 -4.902 4.061 332 1HE LYS 41 2HE LYS 41 -20.157 -2.223 3.551 333 2HE LYS 41 1HE LYS 41 -21.718 -2.578 2.782 334 1HZ LYS 41 1HZ LYS 41 -21.945 -2.117 5.176 335 2HZ LYS 41 2HZ LYS 41 -20.941 -3.445 5.519 336 3HZ LYS 41 3HZ LYS 41 -22.449 -3.686 4.775 337 H LYS 42 H LYS 42 -16.722 -3.817 0.214 338 HA LYS 42 HA LYS 42 -16.279 -6.722 0.089 339 1HB LYS 42 2HB LYS 42 -17.838 -5.480 -1.404 340 2HB LYS 42 1HB LYS 42 -16.478 -4.550 -2.030 341 1HG LYS 42 2HG LYS 42 -17.025 -6.388 -3.558 342 2HG LYS 42 1HG LYS 42 -15.432 -6.644 -2.842 343 1HD LYS 42 2HD LYS 42 -16.111 -8.480 -1.661 344 2HD LYS 42 1HD LYS 42 -17.704 -7.801 -1.328 345 1HE LYS 42 2HE LYS 42 -18.632 -8.745 -3.193 346 2HE LYS 42 1HE LYS 42 -17.181 -8.463 -4.176 347 1HZ LYS 42 1HZ LYS 42 -17.425 -10.491 -2.015 348 2HZ LYS 42 2HZ LYS 42 -16.052 -10.220 -2.977 349 3HZ LYS 42 3HZ LYS 42 -17.475 -10.828 -3.677 350 H LEU 43 H LEU 43 -14.288 -3.934 0.265 351 HA LEU 43 HA LEU 43 -12.058 -5.080 -1.308 352 1HB LEU 43 2HB LEU 43 -12.532 -2.542 0.283 353 2HB LEU 43 1HB LEU 43 -10.992 -2.903 -0.498 354 HG LEU 43 HG LEU 43 -13.556 -3.031 -2.068 355 1HD1 LEU 43 1HD1 LEU 43 -13.647 -0.751 -2.392 356 2HD1 LEU 43 2HD1 LEU 43 -11.919 -0.536 -2.114 357 3HD1 LEU 43 3HD1 LEU 43 -13.011 -0.762 -0.748 358 1HD2 LEU 43 1HD2 LEU 43 -10.643 -2.485 -2.720 359 2HD2 LEU 43 2HD2 LEU 43 -11.952 -2.408 -3.899 360 3HD2 LEU 43 3HD2 LEU 43 -11.556 -3.939 -3.117 361 H GLY 44 H GLY 44 -13.076 -4.564 2.013 362 1HA GLY 44 2HA GLY 44 -10.561 -5.262 3.264 363 2HA GLY 44 1HA GLY 44 -12.134 -5.242 4.068 364 H GLU 45 H GLU 45 -13.364 -7.052 2.124 365 HA GLU 45 HA GLU 45 -12.982 -9.563 3.367 366 1HB GLU 45 2HB GLU 45 -14.156 -8.514 0.825 367 2HB GLU 45 1HB GLU 45 -13.946 -10.260 0.959 368 1HG GLU 45 2HG GLU 45 -15.311 -10.371 2.917 369 2HG GLU 45 1HG GLU 45 -15.292 -8.619 3.112 370 H MET 46 H MET 46 -11.444 -8.235 0.435 371 HA MET 46 HA MET 46 -9.925 -10.670 -0.127 372 1HB MET 46 2HB MET 46 -9.871 -7.809 -1.125 373 2HB MET 46 1HB MET 46 -8.833 -9.076 -1.783 374 1HG MET 46 2HG MET 46 -11.807 -9.501 -1.591 375 2HG MET 46 1HG MET 46 -11.120 -8.609 -2.949 376 1HE MET 46 1HE MET 46 -12.627 -10.918 -3.997 377 2HE MET 46 2HE MET 46 -11.411 -11.614 -5.065 378 3HE MET 46 3HE MET 46 -11.503 -9.865 -4.866 379 H TRP 47 H TRP 47 -9.148 -7.434 1.164 380 HA TRP 47 HA TRP 47 -6.356 -7.809 1.574 381 1HB TRP 47 2HB TRP 47 -7.650 -5.678 1.656 382 2HB TRP 47 1HB TRP 47 -8.351 -6.190 3.190 383 HD1 TRP 47 HD TRP 47 -6.889 -6.007 5.335 384 HE1 TRP 47 1HE TRP 47 -4.578 -4.975 5.826 385 HE3 TRP 47 3HE TRP 47 -5.229 -5.250 0.566 386 HZ2 TRP 47 2HZ TRP 47 -2.324 -3.962 4.387 387 HZ3 TRP 47 3HZ TRP 47 -3.000 -4.250 0.154 388 HH2 TRP 47 HH TRP 47 -1.546 -3.606 2.056 389 H SER 48 H SER 48 -9.040 -9.189 3.304 390 HA SER 48 HA SER 48 -7.327 -9.811 5.666 391 1HB SER 48 2HB SER 48 -9.600 -8.754 5.875 392 2HB SER 48 1HB SER 48 -10.292 -10.228 5.206 393 HG SER 48 HG SER 48 -10.247 -10.190 7.519 394 H GLU 49 H GLU 49 -9.279 -11.420 3.148 395 HA GLU 49 HA GLU 49 -8.828 -14.086 4.198 396 1HB GLU 49 2HB GLU 49 -9.958 -14.773 2.146 397 2HB GLU 49 1HB GLU 49 -10.775 -13.369 2.827 398 1HG GLU 49 2HG GLU 49 -9.308 -11.958 1.265 399 2HG GLU 49 1HG GLU 49 -8.916 -13.469 0.448 400 H GLN 50 H GLN 50 -7.164 -12.092 1.773 401 HA GLN 50 HA GLN 50 -5.621 -14.113 0.505 402 1HB GLN 50 2HB GLN 50 -4.896 -11.236 1.170 403 2HB GLN 50 1HB GLN 50 -4.116 -12.234 -0.055 404 1HG GLN 50 2HG GLN 50 -7.082 -12.001 -0.209 405 2HG GLN 50 1HG GLN 50 -6.138 -10.583 -0.665 406 1HE2 GLN 50 1HE2 GLN 50 -6.149 -10.644 -2.939 407 2HE2 GLN 50 2HE2 GLN 50 -5.679 -11.989 -3.861 408 H SER 51 H SER 51 -3.394 -14.717 0.844 409 HA SER 51 HA SER 51 -2.701 -15.177 3.651 410 1HB SER 51 2HB SER 51 -0.943 -16.524 2.649 411 2HB SER 51 1HB SER 51 -2.401 -16.757 1.689 412 HG SER 51 HG SER 51 -0.872 -16.298 0.215 413 H ALA 52 H ALA 52 0.292 -14.817 2.745 414 HA ALA 52 HA ALA 52 0.500 -12.022 3.686 415 1HB ALA 52 1HB ALA 52 2.593 -14.122 3.039 416 2HB ALA 52 2HB ALA 52 1.844 -13.904 4.620 417 3HB ALA 52 3HB ALA 52 2.862 -12.634 3.944 418 H LYS 53 H LYS 53 -0.527 -12.439 0.944 419 HA LYS 53 HA LYS 53 1.734 -11.283 -0.648 420 1HB LYS 53 2HB LYS 53 -0.426 -13.261 -1.156 421 2HB LYS 53 1HB LYS 53 -0.107 -12.135 -2.475 422 1HG LYS 53 2HG LYS 53 1.379 -13.916 -2.902 423 2HG LYS 53 1HG LYS 53 2.391 -12.719 -2.092 424 1HD LYS 53 2HD LYS 53 2.153 -13.878 0.032 425 2HD LYS 53 1HD LYS 53 1.004 -15.013 -0.677 426 1HE LYS 53 2HE LYS 53 2.849 -15.681 -2.312 427 2HE LYS 53 1HE LYS 53 3.964 -14.758 -1.283 428 1HZ LYS 53 1HZ LYS 53 3.241 -16.036 0.620 429 2HZ LYS 53 2HZ LYS 53 3.807 -17.089 -0.585 430 3HZ LYS 53 3HZ LYS 53 2.137 -16.903 -0.332 431 H ASP 54 H ASP 54 -1.715 -11.030 0.185 432 HA ASP 54 HA ASP 54 -1.976 -8.480 -1.327 433 1HB ASP 54 2HB ASP 54 -3.665 -10.546 -0.977 434 2HB ASP 54 1HB ASP 54 -4.121 -9.588 0.431 435 H LYS 55 H LYS 55 -0.125 -8.166 0.530 436 HA LYS 55 HA LYS 55 -1.107 -6.106 2.298 437 1HB LYS 55 2HB LYS 55 -0.807 -8.909 3.237 438 2HB LYS 55 1HB LYS 55 -0.097 -7.685 4.283 439 1HG LYS 55 2HG LYS 55 -2.664 -6.728 3.465 440 2HG LYS 55 1HG LYS 55 -2.865 -8.395 3.999 441 1HD LYS 55 2HD LYS 55 -1.236 -6.480 5.651 442 2HD LYS 55 1HD LYS 55 -2.996 -6.472 5.771 443 1HE LYS 55 2HE LYS 55 -1.471 -9.070 5.981 444 2HE LYS 55 1HE LYS 55 -1.691 -8.027 7.400 445 1HZ LYS 55 1HZ LYS 55 -3.545 -9.549 7.211 446 2HZ LYS 55 2HZ LYS 55 -3.843 -9.040 5.618 447 3HZ LYS 55 3HZ LYS 55 -4.076 -7.966 6.913 448 H GLN 56 H GLN 56 1.432 -8.590 2.536 449 HA GLN 56 HA GLN 56 3.625 -7.217 3.394 450 1HB GLN 56 2HB GLN 56 3.048 -9.540 1.730 451 2HB GLN 56 1HB GLN 56 4.599 -8.821 1.302 452 1HG GLN 56 2HG GLN 56 4.873 -10.516 3.069 453 2HG GLN 56 1HG GLN 56 5.298 -8.914 3.660 454 1HE2 GLN 56 1HE2 GLN 56 2.030 -10.362 3.234 455 2HE2 GLN 56 2HE2 GLN 56 1.586 -10.209 4.865 456 HA PRO 57 HA PRO 57 4.997 -5.645 -0.924 457 1HB PRO 57 2HB PRO 57 3.199 -5.755 -2.989 458 2HB PRO 57 1HB PRO 57 4.361 -7.052 -2.641 459 1HG PRO 57 2HG PRO 57 1.480 -6.847 -1.901 460 2HG PRO 57 1HG PRO 57 2.384 -8.240 -2.519 461 1HD PRO 57 2HD PRO 57 1.786 -7.973 0.090 462 2HD PRO 57 1HD PRO 57 3.297 -8.731 -0.454 463 H TYR 58 H TYR 58 1.575 -5.268 -0.116 464 HA TYR 58 HA TYR 58 1.460 -2.474 -1.025 465 1HB TYR 58 2HB TYR 58 -0.328 -4.521 0.223 466 2HB TYR 58 1HB TYR 58 -0.791 -2.827 0.372 467 HD1 TYR 58 1HD TYR 58 -0.805 -5.698 -1.751 468 HD2 TYR 58 2HD TYR 58 -0.750 -1.402 -1.807 469 HE1 TYR 58 1HE TYR 58 -1.627 -5.717 -4.091 470 HE2 TYR 58 2HE TYR 58 -1.573 -1.423 -4.147 471 HH TYR 58 HH TYR 58 -2.798 -2.919 -5.651 472 H GLU 59 H GLU 59 2.490 -4.111 1.831 473 HA GLU 59 HA GLU 59 1.840 -2.021 3.759 474 1HB GLU 59 2HB GLU 59 3.402 -4.582 3.633 475 2HB GLU 59 1HB GLU 59 3.677 -3.497 4.998 476 1HG GLU 59 2HG GLU 59 0.969 -4.552 4.133 477 2HG GLU 59 1HG GLU 59 1.916 -5.187 5.476 478 H GLN 60 H GLN 60 5.011 -3.259 2.647 479 HA GLN 60 HA GLN 60 6.633 -1.167 3.587 480 1HB GLN 60 2HB GLN 60 8.218 -1.982 1.853 481 2HB GLN 60 1HB GLN 60 7.427 -3.314 2.694 482 1HG GLN 60 2HG GLN 60 5.795 -3.505 0.837 483 2HG GLN 60 1HG GLN 60 6.621 -2.196 -0.009 484 1HE2 GLN 60 1HE2 GLN 60 8.148 -2.906 -1.496 485 2HE2 GLN 60 2HE2 GLN 60 8.981 -4.383 -1.413 486 H LYS 61 H LYS 61 4.493 -1.156 0.817 487 HA LYS 61 HA LYS 61 5.682 0.963 -0.705 488 1HB LYS 61 2HB LYS 61 3.892 -0.593 -1.468 489 2HB LYS 61 1HB LYS 61 2.765 0.182 -0.354 490 1HG LYS 61 2HG LYS 61 2.864 2.252 -1.538 491 2HG LYS 61 1HG LYS 61 4.265 1.731 -2.475 492 1HD LYS 61 2HD LYS 61 2.732 -0.162 -3.346 493 2HD LYS 61 1HD LYS 61 1.402 0.810 -2.715 494 1HE LYS 61 2HE LYS 61 1.908 2.637 -4.170 495 2HE LYS 61 1HE LYS 61 3.491 1.953 -4.593 496 1HZ LYS 61 1HZ LYS 61 0.864 0.674 -5.143 497 2HZ LYS 61 2HZ LYS 61 2.386 0.042 -5.556 498 3HZ LYS 61 3HZ LYS 61 1.823 1.464 -6.297 499 H ALA 62 H ALA 62 3.114 1.053 1.792 500 HA ALA 62 HA ALA 62 3.028 3.977 1.815 501 1HB ALA 62 1HB ALA 62 1.042 2.713 2.319 502 2HB ALA 62 2HB ALA 62 1.551 3.467 3.830 503 3HB ALA 62 3HB ALA 62 1.887 1.761 3.540 504 H ALA 63 H ALA 63 4.996 1.553 3.317 505 HA ALA 63 HA ALA 63 5.643 2.795 5.801 506 1HB ALA 63 1HB ALA 63 7.360 1.104 3.951 507 2HB ALA 63 2HB ALA 63 6.180 0.466 5.097 508 3HB ALA 63 3HB ALA 63 7.608 1.318 5.684 509 H LYS 64 H LYS 64 6.932 3.313 2.503 510 HA LYS 64 HA LYS 64 9.116 5.033 3.375 511 1HB LYS 64 2HB LYS 64 7.701 4.613 0.721 512 2HB LYS 64 1HB LYS 64 9.212 5.503 0.915 513 1HG LYS 64 2HG LYS 64 8.868 2.642 1.839 514 2HG LYS 64 1HG LYS 64 9.463 3.062 0.233 515 1HD LYS 64 2HD LYS 64 11.281 4.397 1.281 516 2HD LYS 64 1HD LYS 64 10.710 3.888 2.871 517 1HE LYS 64 2HE LYS 64 10.991 1.468 2.008 518 2HE LYS 64 1HE LYS 64 11.949 2.188 0.698 519 1HZ LYS 64 1HZ LYS 64 13.341 1.641 2.617 520 2HZ LYS 64 2HZ LYS 64 12.389 2.645 3.603 521 3HZ LYS 64 3HZ LYS 64 13.307 3.314 2.340 522 H LEU 65 H LEU 65 6.197 5.815 1.450 523 HA LEU 65 HA LEU 65 6.221 8.579 1.516 524 1HB LEU 65 2HB LEU 65 4.078 6.484 1.576 525 2HB LEU 65 1HB LEU 65 3.606 8.181 1.663 526 HG LEU 65 HG LEU 65 5.314 8.402 -0.362 527 1HD1 LEU 65 1HD1 LEU 65 4.879 6.276 -1.802 528 2HD1 LEU 65 2HD1 LEU 65 4.549 5.490 -0.259 529 3HD1 LEU 65 3HD1 LEU 65 6.132 6.205 -0.563 530 1HD2 LEU 65 1HD2 LEU 65 3.417 8.217 -1.875 531 2HD2 LEU 65 2HD2 LEU 65 2.851 8.895 -0.348 532 3HD2 LEU 65 3HD2 LEU 65 2.553 7.197 -0.724 533 H LYS 66 H LYS 66 5.466 6.471 4.239 534 HA LYS 66 HA LYS 66 4.141 8.404 5.916 535 1HB LYS 66 2HB LYS 66 4.240 5.885 6.167 536 2HB LYS 66 1HB LYS 66 5.907 6.066 6.714 537 1HG LYS 66 2HG LYS 66 4.635 6.012 8.714 538 2HG LYS 66 1HG LYS 66 4.970 7.724 8.450 539 1HD LYS 66 2HD LYS 66 2.780 8.142 7.638 540 2HD LYS 66 1HD LYS 66 2.453 6.424 7.404 541 1HE LYS 66 2HE LYS 66 2.818 6.234 9.984 542 2HE LYS 66 1HE LYS 66 2.541 7.988 9.982 543 1HZ LYS 66 1HZ LYS 66 0.446 6.800 10.190 544 2HZ LYS 66 2HZ LYS 66 0.762 5.943 8.757 545 3HZ LYS 66 3HZ LYS 66 0.511 7.623 8.708 546 H GLU 67 H GLU 67 7.547 7.389 5.620 547 HA GLU 67 HA GLU 67 8.604 9.145 7.639 548 1HB GLU 67 2HB GLU 67 9.575 7.063 6.377 549 2HB GLU 67 1HB GLU 67 10.105 8.250 5.184 550 1HG GLU 67 2HG GLU 67 11.160 9.537 7.108 551 2HG GLU 67 1HG GLU 67 10.845 8.125 8.115 552 H LYS 68 H LYS 68 8.683 9.434 4.059 553 HA LYS 68 HA LYS 68 9.793 12.026 3.876 554 1HB LYS 68 2HB LYS 68 8.376 10.104 2.218 555 2HB LYS 68 1HB LYS 68 7.888 11.746 1.803 556 1HG LYS 68 2HG LYS 68 9.769 11.507 0.461 557 2HG LYS 68 1HG LYS 68 10.490 12.210 1.910 558 1HD LYS 68 2HD LYS 68 11.266 10.090 2.677 559 2HD LYS 68 1HD LYS 68 10.267 9.222 1.509 560 1HE LYS 68 2HE LYS 68 11.633 10.488 -0.303 561 2HE LYS 68 1HE LYS 68 12.788 10.809 1.007 562 1HZ LYS 68 1HZ LYS 68 12.882 8.469 1.497 563 2HZ LYS 68 2HZ LYS 68 13.246 8.697 -0.146 564 3HZ LYS 68 3HZ LYS 68 11.714 8.125 0.316 565 H TYR 69 H TYR 69 6.469 11.047 4.569 566 HA TYR 69 HA TYR 69 5.325 13.714 4.258 567 1HB TYR 69 2HB TYR 69 4.031 11.640 3.978 568 2HB TYR 69 1HB TYR 69 4.374 11.178 5.643 569 HD1 TYR 69 1HD TYR 69 3.232 12.225 7.506 570 HD2 TYR 69 2HD TYR 69 2.528 13.543 3.479 571 HE1 TYR 69 1HE TYR 69 1.263 13.522 8.275 572 HE2 TYR 69 2HE TYR 69 0.560 14.842 4.249 573 HH TYR 69 HH TYR 69 -1.094 14.606 6.334 574 H GLU 70 H GLU 70 5.509 11.682 7.191 575 HA GLU 70 HA GLU 70 5.123 13.637 9.148 576 1HB GLU 70 2HB GLU 70 6.623 11.051 8.965 577 2HB GLU 70 1HB GLU 70 6.785 12.006 10.440 578 1HG GLU 70 2HG GLU 70 4.256 12.113 10.532 579 2HG GLU 70 1HG GLU 70 4.230 10.932 9.222 580 H LYS 71 H LYS 71 8.057 13.021 7.300 581 HA LYS 71 HA LYS 71 9.733 14.748 9.003 582 1HB LYS 71 2HB LYS 71 10.086 13.214 6.419 583 2HB LYS 71 1HB LYS 71 11.369 14.215 7.099 584 1HG LYS 71 2HG LYS 71 10.005 12.212 8.867 585 2HG LYS 71 1HG LYS 71 11.222 11.651 7.719 586 1HD LYS 71 2HD LYS 71 11.727 13.952 9.615 587 2HD LYS 71 1HD LYS 71 12.086 12.279 10.042 588 1HE LYS 71 2HE LYS 71 13.521 12.112 7.985 589 2HE LYS 71 1HE LYS 71 13.257 13.846 7.717 590 1HZ LYS 71 1HZ LYS 71 14.329 12.645 10.217 591 2HZ LYS 71 2HZ LYS 71 14.103 14.303 9.921 592 3HZ LYS 71 3HZ LYS 71 15.264 13.431 9.039 593 H ASP 72 H ASP 72 8.786 14.817 5.543 594 HA ASP 72 HA ASP 72 9.663 17.490 5.040 595 1HB ASP 72 2HB ASP 72 9.109 15.640 3.403 596 2HB ASP 72 1HB ASP 72 7.403 15.980 3.699 597 H ILE 73 H ILE 73 6.604 16.242 6.321 598 HA ILE 73 HA ILE 73 5.123 18.710 5.987 599 HB ILE 73 HB ILE 73 4.264 16.319 6.246 600 1HG1 ILE 73 2HG1 ILE 73 2.403 17.206 7.941 601 2HG1 ILE 73 1HG1 ILE 73 3.222 18.741 7.645 602 1HG2 ILE 73 1HG2 ILE 73 4.479 16.837 9.213 603 2HG2 ILE 73 2HG2 ILE 73 5.717 15.931 8.343 604 3HG2 ILE 73 3HG2 ILE 73 4.058 15.336 8.390 605 1HD1 ILE 73 1HD1 ILE 73 1.493 18.554 5.984 606 2HD1 ILE 73 2HD1 ILE 73 1.967 16.900 5.593 607 3HD1 ILE 73 3HD1 ILE 73 3.023 18.246 5.162 608 H ALA 74 H ALA 74 7.089 17.348 8.604 609 HA ALA 74 HA ALA 74 6.410 19.098 10.726 610 1HB ALA 74 1HB ALA 74 7.853 17.056 10.813 611 2HB ALA 74 2HB ALA 74 8.599 18.442 11.609 612 3HB ALA 74 3HB ALA 74 9.128 17.960 9.997 613 H ALA 75 H ALA 75 8.816 19.523 8.125 614 HA ALA 75 HA ALA 75 9.566 22.207 9.075 615 1HB ALA 75 1HB ALA 75 10.264 20.521 6.651 616 2HB ALA 75 2HB ALA 75 11.226 20.710 8.117 617 3HB ALA 75 3HB ALA 75 11.014 22.075 7.020 618 H TYR 76 H TYR 76 7.088 20.903 7.076 619 HA TYR 76 HA TYR 76 6.869 23.151 5.218 620 1HB TYR 76 2HB TYR 76 6.172 20.792 4.764 621 2HB TYR 76 1HB TYR 76 4.905 20.964 5.979 622 HD1 TYR 76 1HD TYR 76 6.141 22.255 2.718 623 HD2 TYR 76 2HD TYR 76 2.872 22.128 5.504 624 HE1 TYR 76 1HE TYR 76 4.657 23.300 1.027 625 HE2 TYR 76 2HE TYR 76 1.390 23.172 3.811 626 HH TYR 76 HH TYR 76 2.022 24.817 1.582 627 H ARG 77 H ARG 77 5.591 22.333 8.391 628 HA ARG 77 HA ARG 77 3.662 24.604 8.275 629 1HB ARG 77 2HB ARG 77 4.100 22.229 10.097 630 2HB ARG 77 1HB ARG 77 2.943 23.508 10.473 631 1HG ARG 77 2HG ARG 77 1.621 23.031 8.566 632 2HG ARG 77 1HG ARG 77 2.904 22.083 7.813 633 1HD ARG 77 2HD ARG 77 2.670 20.340 9.525 634 2HD ARG 77 1HD ARG 77 1.434 21.303 10.359 635 HE ARG 77 HE ARG 77 0.960 20.691 7.496 636 1HH1 ARG 77 1HH1 ARG 77 0.789 18.368 9.587 637 2HH1 ARG 77 2HH1 ARG 77 -0.923 18.338 9.849 638 1HH2 ARG 77 1HH2 ARG 77 -1.473 21.423 8.363 639 2HH2 ARG 77 2HH2 ARG 77 -2.203 20.068 9.156 640 H ALA 78 H ALA 78 6.871 24.222 9.099 641 HA ALA 78 HA ALA 78 8.348 25.387 10.522 642 1HB ALA 78 1HB ALA 78 6.141 27.443 10.647 643 2HB ALA 78 2HB ALA 78 7.017 27.136 9.148 644 3HB ALA 78 3HB ALA 78 7.883 27.709 10.572 645 H LYS 79 H LYS 79 8.315 24.072 12.411 646 HA LYS 79 HA LYS 79 6.698 25.171 14.662 647 1HB LYS 79 2HB LYS 79 6.101 22.849 15.292 648 2HB LYS 79 1HB LYS 79 5.491 23.258 13.691 649 1HG LYS 79 2HG LYS 79 7.986 22.264 13.104 650 2HG LYS 79 1HG LYS 79 7.522 21.269 14.482 651 1HD LYS 79 2HD LYS 79 5.715 21.730 12.097 652 2HD LYS 79 1HD LYS 79 6.813 20.356 12.224 653 1HE LYS 79 2HE LYS 79 5.673 19.955 14.544 654 2HE LYS 79 1HE LYS 79 4.379 20.977 13.887 655 1HZ LYS 79 1HZ LYS 79 4.305 19.575 11.924 656 2HZ LYS 79 2HZ LYS 79 4.029 18.643 13.316 657 3HZ LYS 79 3HZ LYS 79 5.541 18.593 12.544 Start of MODEL 21 1 1H MET 1 1HT MET 1 -11.985 16.190 -9.808 2 2H MET 1 2HT MET 1 -11.845 17.177 -8.433 3 3H MET 1 3HT MET 1 -12.718 15.722 -8.351 4 HA MET 1 HA MET 1 -10.678 14.453 -8.733 5 1HB MET 1 2HB MET 1 -9.803 16.469 -10.080 6 2HB MET 1 1HB MET 1 -9.314 17.144 -8.526 7 1HG MET 1 2HG MET 1 -8.049 15.012 -8.082 8 2HG MET 1 1HG MET 1 -8.408 14.519 -9.738 9 1HE MET 1 1HE MET 1 -4.720 15.293 -9.966 10 2HE MET 1 2HE MET 1 -5.935 14.596 -11.036 11 3HE MET 1 3HE MET 1 -5.923 14.164 -9.328 12 H LYS 2 H LYS 2 -9.983 13.581 -6.801 13 HA LYS 2 HA LYS 2 -10.380 15.216 -4.325 14 1HB LYS 2 2HB LYS 2 -10.725 12.391 -5.154 15 2HB LYS 2 1HB LYS 2 -10.114 12.634 -3.516 16 1HG LYS 2 2HG LYS 2 -12.127 14.520 -3.673 17 2HG LYS 2 1HG LYS 2 -12.784 13.188 -4.620 18 1HD LYS 2 2HD LYS 2 -11.952 11.718 -2.602 19 2HD LYS 2 1HD LYS 2 -12.002 13.248 -1.726 20 1HE LYS 2 2HE LYS 2 -14.404 12.766 -3.359 21 2HE LYS 2 1HE LYS 2 -14.156 11.571 -2.072 22 1HZ LYS 2 1HZ LYS 2 -14.038 14.521 -1.729 23 2HZ LYS 2 2HZ LYS 2 -13.795 13.370 -0.503 24 3HZ LYS 2 3HZ LYS 2 -15.322 13.529 -1.232 25 H LYS 3 H LYS 3 -8.308 16.234 -4.222 26 HA LYS 3 HA LYS 3 -6.165 14.649 -3.101 27 1HB LYS 3 2HB LYS 3 -6.157 14.212 -5.633 28 2HB LYS 3 1HB LYS 3 -5.643 15.890 -5.809 29 1HG LYS 3 2HG LYS 3 -3.646 15.499 -4.529 30 2HG LYS 3 1HG LYS 3 -4.201 13.895 -4.046 31 1HD LYS 3 2HD LYS 3 -3.978 13.046 -6.272 32 2HD LYS 3 1HD LYS 3 -3.757 14.664 -6.938 33 1HE LYS 3 2HE LYS 3 -1.592 14.889 -5.912 34 2HE LYS 3 1HE LYS 3 -1.837 13.422 -4.942 35 1HZ LYS 3 1HZ LYS 3 -0.539 12.950 -6.942 36 2HZ LYS 3 2HZ LYS 3 -1.803 13.538 -7.913 37 3HZ LYS 3 3HZ LYS 3 -2.029 12.139 -6.974 38 H LYS 4 H LYS 4 -4.988 16.003 -1.800 39 HA LYS 4 HA LYS 4 -5.617 18.754 -1.461 40 1HB LYS 4 2HB LYS 4 -3.291 16.986 -0.686 41 2HB LYS 4 1HB LYS 4 -3.377 18.674 -0.177 42 1HG LYS 4 2HG LYS 4 -5.748 18.102 0.672 43 2HG LYS 4 1HG LYS 4 -5.258 16.415 0.508 44 1HD LYS 4 2HD LYS 4 -4.731 16.979 2.754 45 2HD LYS 4 1HD LYS 4 -3.191 17.054 1.897 46 1HE LYS 4 2HE LYS 4 -3.370 19.490 1.701 47 2HE LYS 4 1HE LYS 4 -4.972 19.453 2.467 48 1HZ LYS 4 1HZ LYS 4 -2.457 18.440 3.688 49 2HZ LYS 4 2HZ LYS 4 -3.994 18.422 4.412 50 3HZ LYS 4 3HZ LYS 4 -3.219 19.899 4.094 51 H ASP 5 H ASP 5 -2.381 17.613 -2.459 52 HA ASP 5 HA ASP 5 -2.319 19.336 -4.830 53 1HB ASP 5 2HB ASP 5 -1.297 20.154 -2.160 54 2HB ASP 5 1HB ASP 5 -0.239 20.498 -3.530 55 HA PRO 6 HA PRO 6 0.882 16.449 -5.792 56 1HB PRO 6 2HB PRO 6 2.390 17.861 -7.586 57 2HB PRO 6 1HB PRO 6 0.791 17.196 -7.980 58 1HG PRO 6 2HG PRO 6 1.561 19.981 -7.276 59 2HG PRO 6 1HG PRO 6 0.373 19.399 -8.452 60 1HD PRO 6 2HD PRO 6 -0.281 20.371 -5.982 61 2HD PRO 6 1HD PRO 6 -1.276 19.207 -6.883 62 H ASN 7 H ASN 7 1.959 19.758 -5.044 63 HA ASN 7 HA ASN 7 4.669 18.947 -4.312 64 1HB ASN 7 2HB ASN 7 2.978 21.422 -4.290 65 2HB ASN 7 1HB ASN 7 4.471 21.415 -3.350 66 1HD2 ASN 7 1HD2 ASN 7 3.448 20.285 -6.634 67 2HD2 ASN 7 2HD2 ASN 7 4.815 20.905 -7.426 68 H ALA 8 H ALA 8 1.604 19.148 -2.645 69 HA ALA 8 HA ALA 8 2.928 19.077 0.021 70 1HB ALA 8 1HB ALA 8 0.027 19.277 -0.854 71 2HB ALA 8 2HB ALA 8 1.057 20.634 -0.397 72 3HB ALA 8 3HB ALA 8 0.599 19.430 0.807 73 HA PRO 9 HA PRO 9 2.365 14.649 -0.055 74 1HB PRO 9 2HB PRO 9 2.859 14.117 2.580 75 2HB PRO 9 1HB PRO 9 4.143 14.489 1.415 76 1HG PRO 9 2HG PRO 9 2.860 16.249 3.443 77 2HG PRO 9 1HG PRO 9 4.559 16.144 2.950 78 1HD PRO 9 2HD PRO 9 2.862 18.100 2.093 79 2HD PRO 9 1HD PRO 9 4.253 17.527 1.147 80 H LYS 10 H LYS 10 0.202 14.133 -0.328 81 HA LYS 10 HA LYS 10 -1.976 15.023 1.271 82 1HB LYS 10 2HB LYS 10 -3.176 13.166 0.114 83 2HB LYS 10 1HB LYS 10 -2.183 14.106 -0.998 84 1HG LYS 10 2HG LYS 10 -0.614 11.956 0.154 85 2HG LYS 10 1HG LYS 10 -2.090 11.310 -0.561 86 1HD LYS 10 2HD LYS 10 -1.579 12.192 -2.698 87 2HD LYS 10 1HD LYS 10 -0.360 13.289 -2.047 88 1HE LYS 10 2HE LYS 10 0.785 11.412 -3.114 89 2HE LYS 10 1HE LYS 10 0.981 11.248 -1.357 90 1HZ LYS 10 1HZ LYS 10 0.202 9.176 -2.409 91 2HZ LYS 10 2HZ LYS 10 -1.193 9.986 -2.945 92 3HZ LYS 10 3HZ LYS 10 -0.911 9.784 -1.282 93 H ARG 11 H ARG 11 -3.398 12.783 2.089 94 HA ARG 11 HA ARG 11 -2.335 12.210 4.672 95 1HB ARG 11 2HB ARG 11 -4.600 11.468 2.970 96 2HB ARG 11 1HB ARG 11 -4.102 10.143 4.020 97 1HG ARG 11 2HG ARG 11 -5.726 11.448 5.235 98 2HG ARG 11 1HG ARG 11 -4.149 11.772 5.951 99 1HD ARG 11 2HD ARG 11 -4.711 13.603 3.742 100 2HD ARG 11 1HD ARG 11 -5.934 13.708 5.023 101 HE ARG 11 HE ARG 11 -3.016 13.787 5.682 102 1HH1 ARG 11 1HH1 ARG 11 -4.148 16.447 4.995 103 2HH1 ARG 11 2HH1 ARG 11 -4.697 17.031 6.530 104 1HH2 ARG 11 1HH2 ARG 11 -4.623 13.911 8.041 105 2HH2 ARG 11 2HH2 ARG 11 -4.966 15.596 8.255 106 HA PRO 12 HA PRO 12 0.556 9.026 3.571 107 1HB PRO 12 2HB PRO 12 0.957 7.912 6.036 108 2HB PRO 12 1HB PRO 12 1.661 9.466 5.552 109 1HG PRO 12 2HG PRO 12 -0.703 8.911 7.258 110 2HG PRO 12 1HG PRO 12 0.514 10.186 7.390 111 1HD PRO 12 2HD PRO 12 -2.003 10.557 6.363 112 2HD PRO 12 1HD PRO 12 -0.600 11.573 5.968 113 HA PRO 13 HA PRO 13 -2.353 5.631 3.318 114 1HB PRO 13 2HB PRO 13 -0.896 4.006 1.676 115 2HB PRO 13 1HB PRO 13 -1.761 5.441 1.092 116 1HG PRO 13 2HG PRO 13 1.125 5.035 1.542 117 2HG PRO 13 1HG PRO 13 0.294 6.097 0.398 118 1HD PRO 13 2HD PRO 13 1.478 6.859 2.825 119 2HD PRO 13 1HD PRO 13 0.386 7.843 1.831 120 H SER 14 H SER 14 -1.865 2.996 3.362 121 HA SER 14 HA SER 14 0.334 2.199 5.101 122 1HB SER 14 2HB SER 14 -1.171 3.477 6.624 123 2HB SER 14 1HB SER 14 -2.481 2.370 6.226 124 HG SER 14 HG SER 14 -1.636 1.427 7.958 125 H ALA 15 H ALA 15 -0.186 0.996 2.766 126 HA ALA 15 HA ALA 15 -0.523 -1.109 1.823 127 1HB ALA 15 1HB ALA 15 -1.665 -2.491 4.109 128 2HB ALA 15 2HB ALA 15 -0.257 -1.552 4.601 129 3HB ALA 15 3HB ALA 15 -0.110 -2.752 3.319 130 H PHE 16 H PHE 16 -3.156 -1.188 4.268 131 HA PHE 16 HA PHE 16 -5.210 -2.116 2.652 132 1HB PHE 16 2HB PHE 16 -5.108 -1.559 5.153 133 2HB PHE 16 1HB PHE 16 -5.556 0.084 4.694 134 HD1 PHE 16 1HD PHE 16 -6.604 -3.424 3.845 135 HD2 PHE 16 2HD PHE 16 -7.824 0.589 4.769 136 HE1 PHE 16 1HE PHE 16 -8.981 -4.110 3.680 137 HE2 PHE 16 2HE PHE 16 -10.202 -0.096 4.604 138 HZ PHE 16 HZ PHE 16 -10.779 -2.446 4.058 139 H PHE 17 H PHE 17 -4.515 1.360 3.224 140 HA PHE 17 HA PHE 17 -6.473 2.427 1.455 141 1HB PHE 17 2HB PHE 17 -4.141 3.287 2.964 142 2HB PHE 17 1HB PHE 17 -4.187 4.106 1.405 143 HD1 PHE 17 1HD PHE 17 -6.363 3.230 4.325 144 HD2 PHE 17 2HD PHE 17 -5.603 5.947 1.086 145 HE1 PHE 17 1HE PHE 17 -8.154 4.728 5.162 146 HE2 PHE 17 2HE PHE 17 -7.393 7.445 1.924 147 HZ PHE 17 HZ PHE 17 -8.669 6.836 3.962 148 H LEU 18 H LEU 18 -3.117 1.393 0.851 149 HA LEU 18 HA LEU 18 -2.908 2.244 -1.867 150 1HB LEU 18 2HB LEU 18 -1.671 -0.175 -0.502 151 2HB LEU 18 1HB LEU 18 -1.047 0.640 -1.931 152 HG LEU 18 HG LEU 18 -1.243 1.800 0.870 153 1HD1 LEU 18 1HD1 LEU 18 0.977 0.776 -0.876 154 2HD1 LEU 18 2HD1 LEU 18 0.663 0.452 0.829 155 3HD1 LEU 18 3HD1 LEU 18 1.305 2.018 0.332 156 1HD2 LEU 18 1HD2 LEU 18 0.010 3.737 -0.219 157 2HD2 LEU 18 2HD2 LEU 18 -1.691 3.604 -0.665 158 3HD2 LEU 18 3HD2 LEU 18 -0.441 3.046 -1.778 159 H PHE 19 H PHE 19 -3.945 -0.866 -0.451 160 HA PHE 19 HA PHE 19 -4.471 -2.188 -2.961 161 1HB PHE 19 2HB PHE 19 -4.068 -3.277 -0.756 162 2HB PHE 19 1HB PHE 19 -5.609 -2.642 -0.182 163 HD1 PHE 19 1HD PHE 19 -3.963 -5.188 -2.196 164 HD2 PHE 19 2HD PHE 19 -7.748 -3.391 -1.251 165 HE1 PHE 19 1HE PHE 19 -5.135 -7.131 -3.196 166 HE2 PHE 19 2HE PHE 19 -8.921 -5.334 -2.252 167 HZ PHE 19 HZ PHE 19 -7.613 -7.204 -3.224 168 H CYS 20 H CYS 20 -6.683 -0.696 -0.568 169 HA CYS 20 HA CYS 20 -9.120 -1.068 -1.961 170 1HB CYS 20 2HB CYS 20 -8.012 0.789 0.095 171 2HB CYS 20 1HB CYS 20 -9.548 1.240 -0.643 172 HG CYS 20 HG CYS 20 -9.364 -0.731 1.507 173 H SER 21 H SER 21 -7.069 1.876 -1.965 174 HA SER 21 HA SER 21 -8.517 3.351 -3.905 175 1HB SER 21 2HB SER 21 -6.395 4.600 -4.114 176 2HB SER 21 1HB SER 21 -6.729 4.213 -2.429 177 HG SER 21 HG SER 21 -4.673 3.574 -2.707 178 H GLU 22 H GLU 22 -6.150 0.759 -4.327 179 HA GLU 22 HA GLU 22 -5.954 1.212 -7.236 180 1HB GLU 22 2HB GLU 22 -4.708 -0.527 -5.156 181 2HB GLU 22 1HB GLU 22 -4.563 -1.003 -6.845 182 1HG GLU 22 2HG GLU 22 -3.815 1.733 -5.774 183 2HG GLU 22 1HG GLU 22 -2.661 0.430 -6.057 184 H TYR 23 H TYR 23 -7.737 -0.842 -5.020 185 HA TYR 23 HA TYR 23 -8.533 -2.695 -7.203 186 1HB TYR 23 2HB TYR 23 -8.623 -2.599 -4.218 187 2HB TYR 23 1HB TYR 23 -9.818 -3.601 -5.041 188 HD1 TYR 23 1HD TYR 23 -9.242 -5.792 -5.584 189 HD2 TYR 23 2HD TYR 23 -6.141 -2.851 -5.159 190 HE1 TYR 23 1HE TYR 23 -7.529 -7.546 -5.953 191 HE2 TYR 23 2HE TYR 23 -4.427 -4.605 -5.528 192 HH TYR 23 HH TYR 23 -4.625 -7.484 -5.111 193 H ARG 24 H ARG 24 -9.929 -0.194 -5.100 194 HA ARG 24 HA ARG 24 -12.663 -0.527 -5.466 195 1HB ARG 24 2HB ARG 24 -10.886 1.900 -5.307 196 2HB ARG 24 1HB ARG 24 -12.642 2.045 -5.393 197 1HG ARG 24 2HG ARG 24 -12.960 0.870 -3.360 198 2HG ARG 24 1HG ARG 24 -11.310 0.249 -3.368 199 1HD ARG 24 2HD ARG 24 -10.391 2.317 -2.716 200 2HD ARG 24 1HD ARG 24 -11.818 3.223 -3.257 201 HE ARG 24 HE ARG 24 -11.781 1.435 -0.857 202 1HH1 ARG 24 1HH2 ARG 24 -11.921 4.580 -1.093 203 2HH1 ARG 24 2HH2 ARG 24 -13.576 4.818 -0.640 204 1HH2 ARG 24 1HH1 ARG 24 -14.428 1.474 -0.988 205 2HH2 ARG 24 2HH1 ARG 24 -14.995 3.059 -0.580 206 HA PRO 25 HA PRO 25 -12.539 2.040 -9.606 207 1HB PRO 25 2HB PRO 25 -10.153 1.934 -10.975 208 2HB PRO 25 1HB PRO 25 -10.610 3.265 -9.890 209 1HG PRO 25 2HG PRO 25 -8.913 0.868 -9.321 210 2HG PRO 25 1HG PRO 25 -8.618 2.571 -8.922 211 1HD PRO 25 2HD PRO 25 -9.524 0.918 -7.073 212 2HD PRO 25 1HD PRO 25 -10.175 2.566 -7.177 213 H LYS 26 H LYS 26 -10.658 -0.881 -9.095 214 HA LYS 26 HA LYS 26 -11.194 -2.146 -11.650 215 1HB LYS 26 2HB LYS 26 -9.469 -2.676 -9.772 216 2HB LYS 26 1HB LYS 26 -10.812 -3.509 -8.983 217 1HG LYS 26 2HG LYS 26 -10.150 -4.094 -11.861 218 2HG LYS 26 1HG LYS 26 -9.247 -4.879 -10.566 219 1HD LYS 26 2HD LYS 26 -11.531 -5.513 -9.577 220 2HD LYS 26 1HD LYS 26 -12.209 -5.042 -11.135 221 1HE LYS 26 2HE LYS 26 -10.868 -6.701 -12.295 222 2HE LYS 26 1HE LYS 26 -9.987 -7.089 -10.804 223 1HZ LYS 26 1HZ LYS 26 -12.075 -7.718 -9.768 224 2HZ LYS 26 2HZ LYS 26 -11.811 -8.645 -11.168 225 3HZ LYS 26 3HZ LYS 26 -12.921 -7.359 -11.193 226 H ILE 27 H ILE 27 -12.674 -2.280 -8.427 227 HA ILE 27 HA ILE 27 -14.759 -4.146 -8.914 228 HB ILE 27 HB ILE 27 -14.667 -1.671 -7.144 229 1HG1 ILE 27 2HG1 ILE 27 -12.780 -3.184 -6.706 230 2HG1 ILE 27 1HG1 ILE 27 -13.925 -3.238 -5.376 231 1HG2 ILE 27 1HG2 ILE 27 -16.290 -2.951 -5.729 232 2HG2 ILE 27 2HG2 ILE 27 -16.410 -4.146 -7.020 233 3HG2 ILE 27 3HG2 ILE 27 -16.941 -2.488 -7.302 234 1HD1 ILE 27 1HD1 ILE 27 -13.314 -5.502 -5.866 235 2HD1 ILE 27 2HD1 ILE 27 -13.588 -5.264 -7.592 236 3HD1 ILE 27 3HD1 ILE 27 -14.953 -5.268 -6.474 237 H LYS 28 H LYS 28 -14.461 -0.742 -9.754 238 HA LYS 28 HA LYS 28 -17.295 -0.319 -10.231 239 1HB LYS 28 2HB LYS 28 -15.090 1.332 -11.464 240 2HB LYS 28 1HB LYS 28 -16.650 1.859 -10.852 241 1HG LYS 28 2HG LYS 28 -14.147 1.199 -9.345 242 2HG LYS 28 1HG LYS 28 -15.110 2.654 -9.258 243 1HD LYS 28 2HD LYS 28 -15.787 -0.063 -8.080 244 2HD LYS 28 1HD LYS 28 -15.418 1.416 -7.208 245 1HE LYS 28 2HE LYS 28 -17.761 1.271 -9.126 246 2HE LYS 28 1HE LYS 28 -17.914 0.837 -7.413 247 1HZ LYS 28 1HZ LYS 28 -16.877 3.405 -8.489 248 2HZ LYS 28 2HZ LYS 28 -16.896 2.978 -6.845 249 3HZ LYS 28 3HZ LYS 28 -18.356 3.181 -7.691 250 H SER 29 H SER 29 -14.531 -1.229 -12.249 251 HA SER 29 HA SER 29 -15.805 -0.941 -14.805 252 1HB SER 29 2HB SER 29 -13.348 -1.232 -14.261 253 2HB SER 29 1HB SER 29 -13.682 -2.935 -13.959 254 HG SER 29 HG SER 29 -13.010 -2.591 -16.106 255 H GLU 30 H GLU 30 -16.129 -3.365 -12.305 256 HA GLU 30 HA GLU 30 -17.730 -5.069 -14.189 257 1HB GLU 30 2HB GLU 30 -15.640 -5.598 -12.159 258 2HB GLU 30 1HB GLU 30 -17.004 -6.713 -12.131 259 1HG GLU 30 2HG GLU 30 -15.612 -6.003 -14.713 260 2HG GLU 30 1HG GLU 30 -15.025 -7.307 -13.680 261 H HIS 31 H HIS 31 -17.881 -3.109 -11.380 262 HA HIS 31 HA HIS 31 -20.581 -4.242 -10.759 263 1HB HIS 31 2HB HIS 31 -18.585 -3.274 -8.685 264 2HB HIS 31 1HB HIS 31 -20.126 -4.065 -8.388 265 HD1 HIS 31 1HD HIS 31 -16.593 -4.756 -9.381 266 HD2 HIS 31 2HD HIS 31 -20.132 -6.895 -8.861 267 HE1 HIS 31 1HE HIS 31 -15.953 -7.205 -9.375 268 HA PRO 32 HA PRO 32 -20.895 0.259 -11.442 269 1HB PRO 32 2HB PRO 32 -23.416 0.195 -12.504 270 2HB PRO 32 1HB PRO 32 -21.955 -0.085 -13.460 271 1HG PRO 32 2HG PRO 32 -23.924 -2.032 -12.417 272 2HG PRO 32 1HG PRO 32 -22.980 -2.067 -13.913 273 1HD PRO 32 2HD PRO 32 -22.400 -3.529 -11.648 274 2HD PRO 32 1HD PRO 32 -21.236 -3.131 -12.929 275 H GLY 33 H GLY 33 -23.204 -1.998 -10.027 276 1HA GLY 33 2HA GLY 33 -24.667 0.038 -8.548 277 2HA GLY 33 1HA GLY 33 -24.803 -1.706 -8.330 278 H LEU 34 H LEU 34 -21.772 -1.827 -8.027 279 HA LEU 34 HA LEU 34 -21.542 -1.943 -5.222 280 1HB LEU 34 2HB LEU 34 -19.874 -2.097 -7.591 281 2HB LEU 34 1HB LEU 34 -19.002 -1.288 -6.298 282 HG LEU 34 HG LEU 34 -18.697 -3.780 -6.319 283 1HD1 LEU 34 1HD1 LEU 34 -19.698 -2.176 -4.035 284 2HD1 LEU 34 2HD1 LEU 34 -18.174 -3.042 -4.228 285 3HD1 LEU 34 3HD1 LEU 34 -19.639 -3.922 -3.790 286 1HD2 LEU 34 1HD2 LEU 34 -20.439 -5.253 -6.155 287 2HD2 LEU 34 2HD2 LEU 34 -21.372 -3.917 -6.829 288 3HD2 LEU 34 3HD2 LEU 34 -21.365 -4.196 -5.088 289 H SER 35 H SER 35 -22.533 0.071 -4.408 290 HA SER 35 HA SER 35 -21.315 2.670 -4.968 291 1HB SER 35 2HB SER 35 -23.258 1.644 -2.874 292 2HB SER 35 1HB SER 35 -22.862 3.345 -3.095 293 HG SER 35 HG SER 35 -24.758 2.633 -4.247 294 H ILE 36 H ILE 36 -20.494 3.985 -2.967 295 HA ILE 36 HA ILE 36 -18.103 2.900 -1.939 296 HB ILE 36 HB ILE 36 -19.959 5.020 -0.802 297 1HG1 ILE 36 2HG1 ILE 36 -19.208 5.472 -3.112 298 2HG1 ILE 36 1HG1 ILE 36 -18.446 6.588 -1.983 299 1HG2 ILE 36 1HG2 ILE 36 -17.075 4.325 -0.183 300 2HG2 ILE 36 2HG2 ILE 36 -18.430 4.405 0.943 301 3HG2 ILE 36 3HG2 ILE 36 -17.793 5.885 0.225 302 1HD1 ILE 36 1HD1 ILE 36 -16.456 5.014 -1.927 303 2HD1 ILE 36 2HD1 ILE 36 -16.722 5.819 -3.474 304 3HD1 ILE 36 3HD1 ILE 36 -17.207 4.136 -3.261 305 H GLY 37 H GLY 37 -21.391 2.623 -0.699 306 1HA GLY 37 2HA GLY 37 -20.798 1.712 1.937 307 2HA GLY 37 1HA GLY 37 -22.276 1.331 1.050 308 H ASP 38 H ASP 38 -21.865 -0.333 -0.801 309 HA ASP 38 HA ASP 38 -20.866 -2.773 0.391 310 1HB ASP 38 2HB ASP 38 -22.093 -1.835 -2.151 311 2HB ASP 38 1HB ASP 38 -21.180 -3.342 -2.243 312 H THR 39 H THR 39 -19.510 -0.407 -1.849 313 HA THR 39 HA THR 39 -17.285 -1.970 -2.798 314 HB THR 39 HB THR 39 -17.673 1.023 -2.455 315 HG1 THR 39 1HG THR 39 -18.413 0.921 -4.536 316 1HG2 THR 39 1HG2 THR 39 -15.975 1.112 -4.342 317 2HG2 THR 39 2HG2 THR 39 -15.644 -0.591 -4.018 318 3HG2 THR 39 3HG2 THR 39 -15.327 0.622 -2.776 319 H ALA 40 H ALA 40 -17.816 -0.032 0.097 320 HA ALA 40 HA ALA 40 -15.028 -0.015 0.946 321 1HB ALA 40 1HB ALA 40 -16.671 1.691 1.609 322 2HB ALA 40 2HB ALA 40 -16.054 0.865 3.039 323 3HB ALA 40 3HB ALA 40 -17.649 0.459 2.406 324 H LYS 41 H LYS 41 -17.913 -1.933 1.818 325 HA LYS 41 HA LYS 41 -16.338 -3.608 3.653 326 1HB LYS 41 2HB LYS 41 -18.508 -4.595 4.171 327 2HB LYS 41 1HB LYS 41 -18.648 -2.840 4.143 328 1HG LYS 41 2HG LYS 41 -19.391 -3.115 1.691 329 2HG LYS 41 1HG LYS 41 -19.579 -4.824 2.063 330 1HD LYS 41 2HD LYS 41 -21.721 -3.764 2.408 331 2HD LYS 41 1HD LYS 41 -21.059 -4.166 3.991 332 1HE LYS 41 2HE LYS 41 -20.047 -1.604 3.495 333 2HE LYS 41 1HE LYS 41 -21.714 -1.539 2.890 334 1HZ LYS 41 1HZ LYS 41 -22.471 -2.552 4.948 335 2HZ LYS 41 2HZ LYS 41 -21.638 -1.108 5.273 336 3HZ LYS 41 3HZ LYS 41 -20.882 -2.607 5.536 337 H LYS 42 H LYS 42 -17.093 -3.709 0.282 338 HA LYS 42 HA LYS 42 -17.158 -6.620 0.024 339 1HB LYS 42 2HB LYS 42 -18.269 -5.096 -1.562 340 2HB LYS 42 1HB LYS 42 -16.717 -4.365 -1.966 341 1HG LYS 42 2HG LYS 42 -17.369 -6.009 -3.674 342 2HG LYS 42 1HG LYS 42 -15.924 -6.552 -2.818 343 1HD LYS 42 2HD LYS 42 -17.001 -8.316 -1.843 344 2HD LYS 42 1HD LYS 42 -18.499 -7.411 -1.628 345 1HE LYS 42 2HE LYS 42 -19.344 -8.098 -3.642 346 2HE LYS 42 1HE LYS 42 -17.765 -8.001 -4.447 347 1HZ LYS 42 1HZ LYS 42 -18.612 -10.083 -2.500 348 2HZ LYS 42 2HZ LYS 42 -17.067 -9.966 -3.197 349 3HZ LYS 42 3HZ LYS 42 -18.418 -10.307 -4.171 350 H LEU 43 H LEU 43 -14.777 -4.155 -1.053 351 HA LEU 43 HA LEU 43 -12.662 -5.790 -1.833 352 1HB LEU 43 2HB LEU 43 -12.715 -3.149 -0.350 353 2HB LEU 43 1HB LEU 43 -11.248 -3.816 -1.068 354 HG LEU 43 HG LEU 43 -13.766 -3.510 -2.697 355 1HD1 LEU 43 1HD1 LEU 43 -11.585 -1.437 -2.309 356 2HD1 LEU 43 2HD1 LEU 43 -13.239 -1.300 -1.711 357 3HD1 LEU 43 3HD1 LEU 43 -12.927 -1.321 -3.447 358 1HD2 LEU 43 1HD2 LEU 43 -12.043 -4.872 -3.698 359 2HD2 LEU 43 2HD2 LEU 43 -10.797 -3.693 -3.285 360 3HD2 LEU 43 3HD2 LEU 43 -12.006 -3.307 -4.511 361 H GLY 44 H GLY 44 -13.711 -5.100 1.457 362 1HA GLY 44 2HA GLY 44 -11.354 -5.986 2.831 363 2HA GLY 44 1HA GLY 44 -12.974 -5.933 3.527 364 H GLU 45 H GLU 45 -14.219 -7.677 1.618 365 HA GLU 45 HA GLU 45 -13.994 -10.208 2.778 366 1HB GLU 45 2HB GLU 45 -15.547 -9.092 0.919 367 2HB GLU 45 1HB GLU 45 -14.484 -9.987 -0.168 368 1HG GLU 45 2HG GLU 45 -16.293 -11.465 0.322 369 2HG GLU 45 1HG GLU 45 -14.937 -12.033 1.297 370 H MET 46 H MET 46 -12.037 -8.873 0.129 371 HA MET 46 HA MET 46 -10.586 -11.424 -0.248 372 1HB MET 46 2HB MET 46 -10.332 -8.652 -1.460 373 2HB MET 46 1HB MET 46 -9.451 -10.074 -2.017 374 1HG MET 46 2HG MET 46 -12.437 -10.219 -1.794 375 2HG MET 46 1HG MET 46 -11.724 -9.388 -3.176 376 1HE MET 46 1HE MET 46 -13.005 -13.123 -3.983 377 2HE MET 46 2HE MET 46 -13.576 -11.509 -3.572 378 3HE MET 46 3HE MET 46 -13.230 -12.666 -2.289 379 H TRP 47 H TRP 47 -10.044 -8.180 1.073 380 HA TRP 47 HA TRP 47 -7.228 -8.416 1.554 381 1HB TRP 47 2HB TRP 47 -8.608 -6.329 1.531 382 2HB TRP 47 1HB TRP 47 -9.320 -6.824 3.067 383 HD1 TRP 47 HD TRP 47 -8.078 -6.111 5.173 384 HE1 TRP 47 1HE TRP 47 -5.732 -5.179 5.699 385 HE3 TRP 47 3HE TRP 47 -5.935 -6.460 0.552 386 HZ2 TRP 47 2HZ TRP 47 -3.273 -4.651 4.338 387 HZ3 TRP 47 3HZ TRP 47 -3.591 -5.736 0.194 388 HH2 TRP 47 HH TRP 47 -2.259 -4.833 2.079 389 H SER 48 H SER 48 -9.868 -10.008 3.127 390 HA SER 48 HA SER 48 -8.336 -10.361 5.654 391 1HB SER 48 2HB SER 48 -10.743 -9.694 5.640 392 2HB SER 48 1HB SER 48 -11.131 -11.207 4.827 393 HG SER 48 HG SER 48 -10.333 -10.718 7.455 394 H GLU 49 H GLU 49 -9.834 -12.288 3.032 395 HA GLU 49 HA GLU 49 -9.060 -14.854 4.063 396 1HB GLU 49 2HB GLU 49 -9.658 -15.622 1.806 397 2HB GLU 49 1HB GLU 49 -10.832 -14.441 2.379 398 1HG GLU 49 2HG GLU 49 -9.501 -12.675 1.146 399 2HG GLU 49 1HG GLU 49 -8.572 -13.982 0.419 400 H GLN 50 H GLN 50 -7.367 -12.459 2.122 401 HA GLN 50 HA GLN 50 -5.273 -14.052 1.034 402 1HB GLN 50 2HB GLN 50 -4.075 -11.881 0.936 403 2HB GLN 50 1HB GLN 50 -5.757 -11.708 0.438 404 1HG GLN 50 2HG GLN 50 -6.366 -10.831 2.623 405 2HG GLN 50 1HG GLN 50 -4.742 -11.134 3.238 406 1HE2 GLN 50 1HE2 GLN 50 -5.671 -9.748 0.056 407 2HE2 GLN 50 2HE2 GLN 50 -4.878 -8.267 0.298 408 H SER 51 H SER 51 -3.169 -14.535 1.826 409 HA SER 51 HA SER 51 -2.991 -14.765 4.780 410 1HB SER 51 2HB SER 51 -2.601 -16.641 3.079 411 2HB SER 51 1HB SER 51 -1.115 -15.803 2.639 412 HG SER 51 HG SER 51 -1.143 -17.515 4.406 413 H ALA 52 H ALA 52 -0.073 -14.829 4.782 414 HA ALA 52 HA ALA 52 0.441 -11.927 4.915 415 1HB ALA 52 1HB ALA 52 1.148 -13.436 6.709 416 2HB ALA 52 2HB ALA 52 2.578 -12.757 5.930 417 3HB ALA 52 3HB ALA 52 2.072 -14.406 5.562 418 H LYS 53 H LYS 53 0.025 -12.512 2.264 419 HA LYS 53 HA LYS 53 2.793 -12.508 1.105 420 1HB LYS 53 2HB LYS 53 0.250 -13.924 0.340 421 2HB LYS 53 1HB LYS 53 1.447 -13.548 -0.901 422 1HG LYS 53 2HG LYS 53 3.168 -14.634 0.681 423 2HG LYS 53 1HG LYS 53 1.774 -15.290 1.542 424 1HD LYS 53 2HD LYS 53 0.994 -16.076 -0.823 425 2HD LYS 53 1HD LYS 53 2.685 -15.846 -1.271 426 1HE LYS 53 2HE LYS 53 2.723 -18.076 -0.563 427 2HE LYS 53 1HE LYS 53 3.105 -17.250 0.961 428 1HZ LYS 53 1HZ LYS 53 0.766 -17.208 1.509 429 2HZ LYS 53 2HZ LYS 53 1.247 -18.811 1.215 430 3HZ LYS 53 3HZ LYS 53 0.368 -17.955 0.040 431 H ASP 54 H ASP 54 -0.613 -11.556 0.529 432 HA ASP 54 HA ASP 54 -0.038 -9.698 -1.598 433 1HB ASP 54 2HB ASP 54 -2.227 -10.851 -0.899 434 2HB ASP 54 1HB ASP 54 -2.364 -9.593 0.329 435 H LYS 55 H LYS 55 -0.132 -9.325 1.935 436 HA LYS 55 HA LYS 55 -0.061 -6.403 1.833 437 1HB LYS 55 2HB LYS 55 0.159 -8.568 3.916 438 2HB LYS 55 1HB LYS 55 0.487 -6.888 4.343 439 1HG LYS 55 2HG LYS 55 -1.701 -6.226 3.999 440 2HG LYS 55 1HG LYS 55 -2.005 -7.484 2.801 441 1HD LYS 55 2HD LYS 55 -3.230 -8.142 4.738 442 2HD LYS 55 1HD LYS 55 -1.791 -9.162 4.721 443 1HE LYS 55 2HE LYS 55 -0.692 -7.454 6.259 444 2HE LYS 55 1HE LYS 55 -2.293 -6.710 6.434 445 1HZ LYS 55 1HZ LYS 55 -1.950 -8.389 8.139 446 2HZ LYS 55 2HZ LYS 55 -1.633 -9.562 6.951 447 3HZ LYS 55 3HZ LYS 55 -3.181 -8.873 7.076 448 H GLN 56 H GLN 56 2.321 -8.998 2.347 449 HA GLN 56 HA GLN 56 4.563 -7.718 3.290 450 1HB GLN 56 2HB GLN 56 3.985 -9.923 1.409 451 2HB GLN 56 1HB GLN 56 5.633 -9.298 1.337 452 1HG GLN 56 2HG GLN 56 5.454 -9.444 3.978 453 2HG GLN 56 1HG GLN 56 4.213 -10.640 3.607 454 1HE2 GLN 56 1HE2 GLN 56 4.893 -12.543 2.282 455 2HE2 GLN 56 2HE2 GLN 56 6.524 -13.013 2.261 456 HA PRO 57 HA PRO 57 5.957 -6.002 -0.925 457 1HB PRO 57 2HB PRO 57 4.333 -6.211 -3.102 458 2HB PRO 57 1HB PRO 57 5.491 -7.474 -2.640 459 1HG PRO 57 2HG PRO 57 2.560 -7.351 -2.219 460 2HG PRO 57 1HG PRO 57 3.582 -8.740 -2.612 461 1HD PRO 57 2HD PRO 57 2.608 -8.193 -0.105 462 2HD PRO 57 1HD PRO 57 4.072 -9.147 -0.426 463 H TYR 58 H TYR 58 2.434 -5.785 -0.514 464 HA TYR 58 HA TYR 58 2.292 -3.032 -1.499 465 1HB TYR 58 2HB TYR 58 0.566 -5.246 -0.923 466 2HB TYR 58 1HB TYR 58 -0.032 -3.854 -0.027 467 HD1 TYR 58 1HD TYR 58 1.247 -4.790 -3.424 468 HD2 TYR 58 2HD TYR 58 -1.378 -2.283 -1.128 469 HE1 TYR 58 1HE TYR 58 0.305 -3.857 -5.520 470 HE2 TYR 58 2HE TYR 58 -2.320 -1.351 -3.224 471 HH TYR 58 HH TYR 58 -1.024 -1.308 -5.961 472 H GLU 59 H GLU 59 3.181 -4.360 1.525 473 HA GLU 59 HA GLU 59 2.077 -2.140 3.130 474 1HB GLU 59 2HB GLU 59 3.028 -3.407 4.996 475 2HB GLU 59 1HB GLU 59 2.166 -4.501 3.918 476 1HG GLU 59 2HG GLU 59 4.038 -5.733 3.704 477 2HG GLU 59 1HG GLU 59 4.837 -4.354 2.954 478 H GLN 60 H GLN 60 5.098 -2.956 1.567 479 HA GLN 60 HA GLN 60 6.737 -1.122 3.144 480 1HB GLN 60 2HB GLN 60 8.435 -1.703 1.423 481 2HB GLN 60 1HB GLN 60 7.648 -3.135 2.083 482 1HG GLN 60 2HG GLN 60 6.376 -3.484 0.145 483 2HG GLN 60 1HG GLN 60 6.574 -1.821 -0.405 484 1HE2 GLN 60 1HE2 GLN 60 9.190 -1.314 -0.544 485 2HE2 GLN 60 2HE2 GLN 60 10.039 -2.469 -1.452 486 H LYS 61 H LYS 61 4.672 -0.827 0.357 487 HA LYS 61 HA LYS 61 5.850 1.412 -0.963 488 1HB LYS 61 2HB LYS 61 4.045 0.030 -1.889 489 2HB LYS 61 1HB LYS 61 2.959 0.545 -0.601 490 1HG LYS 61 2HG LYS 61 2.766 2.719 -1.457 491 2HG LYS 61 1HG LYS 61 4.255 2.587 -2.393 492 1HD LYS 61 2HD LYS 61 3.147 0.883 -3.841 493 2HD LYS 61 1HD LYS 61 1.647 1.143 -2.948 494 1HE LYS 61 2HE LYS 61 1.287 2.676 -4.643 495 2HE LYS 61 1HE LYS 61 2.255 3.715 -3.578 496 1HZ LYS 61 1HZ LYS 61 3.194 3.651 -5.813 497 2HZ LYS 61 2HZ LYS 61 3.327 1.959 -5.726 498 3HZ LYS 61 3HZ LYS 61 4.254 2.942 -4.695 499 H ALA 62 H ALA 62 3.322 1.353 1.592 500 HA ALA 62 HA ALA 62 3.355 4.263 1.865 501 1HB ALA 62 1HB ALA 62 2.171 1.972 3.467 502 2HB ALA 62 2HB ALA 62 1.336 2.988 2.291 503 3HB ALA 62 3HB ALA 62 1.865 3.670 3.828 504 H ALA 63 H ALA 63 5.390 1.747 3.008 505 HA ALA 63 HA ALA 63 6.080 2.756 5.612 506 1HB ALA 63 1HB ALA 63 8.028 1.276 5.318 507 2HB ALA 63 2HB ALA 63 7.723 1.195 3.584 508 3HB ALA 63 3HB ALA 63 6.576 0.477 4.715 509 H LYS 64 H LYS 64 6.980 3.697 2.327 510 HA LYS 64 HA LYS 64 9.309 5.275 3.131 511 1HB LYS 64 2HB LYS 64 9.217 4.280 0.946 512 2HB LYS 64 1HB LYS 64 7.612 4.931 0.660 513 1HG LYS 64 2HG LYS 64 8.454 6.842 -0.171 514 2HG LYS 64 1HG LYS 64 9.454 7.081 1.263 515 1HD LYS 64 2HD LYS 64 10.929 6.902 -0.652 516 2HD LYS 64 1HD LYS 64 11.094 5.431 0.311 517 1HE LYS 64 2HE LYS 64 9.741 4.165 -1.214 518 2HE LYS 64 1HE LYS 64 9.202 5.632 -2.055 519 1HZ LYS 64 1HZ LYS 64 11.531 6.088 -2.617 520 2HZ LYS 64 2HZ LYS 64 11.005 4.614 -3.276 521 3HZ LYS 64 3HZ LYS 64 11.995 4.625 -1.896 522 H LEU 65 H LEU 65 6.234 6.191 1.579 523 HA LEU 65 HA LEU 65 6.144 8.899 1.893 524 1HB LEU 65 2HB LEU 65 4.072 6.741 2.111 525 2HB LEU 65 1HB LEU 65 3.594 8.430 2.282 526 HG LEU 65 HG LEU 65 5.162 8.624 0.083 527 1HD1 LEU 65 1HD1 LEU 65 5.715 6.406 -0.352 528 2HD1 LEU 65 2HD1 LEU 65 4.248 6.576 -1.314 529 3HD1 LEU 65 3HD1 LEU 65 4.181 5.795 0.265 530 1HD2 LEU 65 1HD2 LEU 65 2.231 7.869 0.261 531 2HD2 LEU 65 2HD2 LEU 65 2.999 8.430 -1.225 532 3HD2 LEU 65 3HD2 LEU 65 2.914 9.494 0.179 533 H LYS 66 H LYS 66 5.996 6.697 4.662 534 HA LYS 66 HA LYS 66 4.712 8.541 6.496 535 1HB LYS 66 2HB LYS 66 5.179 5.943 6.564 536 2HB LYS 66 1HB LYS 66 6.715 6.433 7.277 537 1HG LYS 66 2HG LYS 66 5.559 7.642 9.049 538 2HG LYS 66 1HG LYS 66 3.997 7.295 8.306 539 1HD LYS 66 2HD LYS 66 4.146 4.983 8.799 540 2HD LYS 66 1HD LYS 66 5.879 5.079 9.114 541 1HE LYS 66 2HE LYS 66 5.372 6.557 11.095 542 2HE LYS 66 1HE LYS 66 3.649 6.222 10.830 543 1HZ LYS 66 1HZ LYS 66 4.547 4.604 12.357 544 2HZ LYS 66 2HZ LYS 66 5.791 4.207 11.270 545 3HZ LYS 66 3HZ LYS 66 4.178 3.837 10.891 546 H GLU 67 H GLU 67 8.011 7.927 5.418 547 HA GLU 67 HA GLU 67 9.220 9.759 7.382 548 1HB GLU 67 2HB GLU 67 10.117 7.971 5.136 549 2HB GLU 67 1HB GLU 67 11.233 9.165 5.799 550 1HG GLU 67 2HG GLU 67 10.836 8.239 8.072 551 2HG GLU 67 1HG GLU 67 9.793 7.005 7.366 552 H LYS 68 H LYS 68 7.583 10.167 4.439 553 HA LYS 68 HA LYS 68 9.191 12.553 3.638 554 1HB LYS 68 2HB LYS 68 8.163 10.481 2.198 555 2HB LYS 68 1HB LYS 68 6.828 11.629 2.086 556 1HG LYS 68 2HG LYS 68 8.202 12.166 0.236 557 2HG LYS 68 1HG LYS 68 8.630 13.370 1.453 558 1HD LYS 68 2HD LYS 68 10.648 12.265 2.004 559 2HD LYS 68 1HD LYS 68 10.141 10.768 1.220 560 1HE LYS 68 2HE LYS 68 10.337 11.774 -0.981 561 2HE LYS 68 1HE LYS 68 10.647 13.370 -0.267 562 1HZ LYS 68 1HZ LYS 68 12.603 12.488 0.819 563 2HZ LYS 68 2HZ LYS 68 12.718 12.227 -0.856 564 3HZ LYS 68 3HZ LYS 68 12.307 10.945 0.179 565 H TYR 69 H TYR 69 5.963 11.478 4.602 566 HA TYR 69 HA TYR 69 4.726 14.118 4.454 567 1HB TYR 69 2HB TYR 69 3.513 11.963 4.219 568 2HB TYR 69 1HB TYR 69 3.952 11.539 5.872 569 HD1 TYR 69 1HD TYR 69 1.582 13.233 3.782 570 HD2 TYR 69 2HD TYR 69 3.186 13.126 7.761 571 HE1 TYR 69 1HE TYR 69 -0.410 14.452 4.615 572 HE2 TYR 69 2HE TYR 69 1.195 14.345 8.597 573 HH TYR 69 HH TYR 69 -1.486 14.506 7.424 574 H GLU 70 H GLU 70 5.577 11.962 7.178 575 HA GLU 70 HA GLU 70 5.127 13.799 9.295 576 1HB GLU 70 2HB GLU 70 7.052 11.486 8.945 577 2HB GLU 70 1HB GLU 70 6.763 12.272 10.497 578 1HG GLU 70 2HG GLU 70 4.228 11.842 9.897 579 2HG GLU 70 1HG GLU 70 4.902 10.591 8.852 580 H LYS 71 H LYS 71 7.751 13.707 6.990 581 HA LYS 71 HA LYS 71 9.462 15.455 8.687 582 1HB LYS 71 2HB LYS 71 9.751 13.694 6.297 583 2HB LYS 71 1HB LYS 71 10.870 15.051 6.436 584 1HG LYS 71 2HG LYS 71 11.200 14.234 8.885 585 2HG LYS 71 1HG LYS 71 10.497 12.722 8.309 586 1HD LYS 71 2HD LYS 71 12.250 12.996 6.359 587 2HD LYS 71 1HD LYS 71 13.082 14.026 7.524 588 1HE LYS 71 2HE LYS 71 13.023 12.169 9.185 589 2HE LYS 71 1HE LYS 71 12.268 11.129 7.959 590 1HZ LYS 71 1HZ LYS 71 14.846 12.566 7.608 591 2HZ LYS 71 2HZ LYS 71 14.127 11.500 6.498 592 3HZ LYS 71 3HZ LYS 71 14.708 10.919 7.985 593 H ASP 72 H ASP 72 7.356 15.598 5.884 594 HA ASP 72 HA ASP 72 8.352 18.329 5.200 595 1HB ASP 72 2HB ASP 72 8.120 16.462 3.506 596 2HB ASP 72 1HB ASP 72 6.375 16.543 3.756 597 H ILE 73 H ILE 73 5.474 16.605 6.338 598 HA ILE 73 HA ILE 73 3.610 18.771 6.004 599 HB ILE 73 HB ILE 73 3.194 16.276 6.358 600 1HG1 ILE 73 2HG1 ILE 73 1.214 16.887 8.048 601 2HG1 ILE 73 1HG1 ILE 73 1.740 18.527 7.665 602 1HG2 ILE 73 1HG2 ILE 73 4.705 16.293 8.482 603 2HG2 ILE 73 2HG2 ILE 73 3.231 15.327 8.507 604 3HG2 ILE 73 3HG2 ILE 73 3.268 16.899 9.304 605 1HD1 ILE 73 1HD1 ILE 73 1.254 16.493 5.489 606 2HD1 ILE 73 2HD1 ILE 73 1.314 18.251 5.354 607 3HD1 ILE 73 3HD1 ILE 73 -0.061 17.474 6.137 608 H ALA 74 H ALA 74 5.847 17.912 8.603 609 HA ALA 74 HA ALA 74 4.887 19.535 10.713 610 1HB ALA 74 1HB ALA 74 6.690 17.912 10.945 611 2HB ALA 74 2HB ALA 74 7.302 19.499 11.415 612 3HB ALA 74 3HB ALA 74 7.706 18.832 9.834 613 H ALA 75 H ALA 75 7.065 20.410 8.022 614 HA ALA 75 HA ALA 75 7.157 23.234 8.898 615 1HB ALA 75 1HB ALA 75 9.126 21.962 8.021 616 2HB ALA 75 2HB ALA 75 8.777 23.408 7.072 617 3HB ALA 75 3HB ALA 75 8.301 21.820 6.467 618 H TYR 76 H TYR 76 5.369 21.234 6.668 619 HA TYR 76 HA TYR 76 4.586 23.345 4.824 620 1HB TYR 76 2HB TYR 76 4.664 20.869 4.371 621 2HB TYR 76 1HB TYR 76 3.278 20.676 5.447 622 HD1 TYR 76 1HD TYR 76 1.060 21.383 4.789 623 HD2 TYR 76 2HD TYR 76 4.441 22.111 2.241 624 HE1 TYR 76 1HE TYR 76 -0.469 21.972 2.927 625 HE2 TYR 76 2HE TYR 76 2.912 22.701 0.380 626 HH TYR 76 HH TYR 76 -0.280 21.940 0.313 627 H ARG 77 H ARG 77 3.292 22.021 7.832 628 HA ARG 77 HA ARG 77 0.707 23.363 7.603 629 1HB ARG 77 2HB ARG 77 2.224 21.840 9.724 630 2HB ARG 77 1HB ARG 77 0.675 22.604 10.087 631 1HG ARG 77 2HG ARG 77 -0.332 21.361 8.161 632 2HG ARG 77 1HG ARG 77 1.203 20.517 7.952 633 1HD ARG 77 2HD ARG 77 0.132 18.998 9.347 634 2HD ARG 77 1HD ARG 77 0.842 20.057 10.585 635 HE ARG 77 HE ARG 77 -1.868 20.698 9.515 636 1HH1 ARG 77 1HH1 ARG 77 -0.255 21.919 11.907 637 2HH1 ARG 77 2HH1 ARG 77 -1.175 21.283 13.231 638 1HH2 ARG 77 1HH2 ARG 77 -2.848 18.947 11.290 639 2HH2 ARG 77 2HH2 ARG 77 -2.643 19.600 12.881 640 H ALA 78 H ALA 78 2.819 23.733 10.449 641 HA ALA 78 HA ALA 78 2.849 26.692 10.022 642 1HB ALA 78 1HB ALA 78 0.939 25.797 11.466 643 2HB ALA 78 2HB ALA 78 1.966 27.003 12.240 644 3HB ALA 78 3HB ALA 78 2.169 25.294 12.626 645 H LYS 79 H LYS 79 3.974 26.818 12.888 646 HA LYS 79 HA LYS 79 6.124 26.873 13.851 647 1HB LYS 79 2HB LYS 79 6.210 24.231 12.394 648 2HB LYS 79 1HB LYS 79 7.294 24.695 13.699 649 1HG LYS 79 2HG LYS 79 5.697 24.401 15.310 650 2HG LYS 79 1HG LYS 79 4.394 24.977 14.269 651 1HD LYS 79 2HD LYS 79 5.754 22.301 13.870 652 2HD LYS 79 1HD LYS 79 4.300 22.501 14.847 653 1HE LYS 79 2HE LYS 79 3.121 23.466 12.883 654 2HE LYS 79 1HE LYS 79 4.575 23.197 11.900 655 1HZ LYS 79 1HZ LYS 79 4.490 20.870 12.371 656 2HZ LYS 79 2HZ LYS 79 2.957 21.333 11.801 657 3HZ LYS 79 3HZ LYS 79 3.207 21.072 13.463 Start of MODEL 22 1 1H MET 1 1HT MET 1 -11.641 24.472 6.548 2 2H MET 1 2HT MET 1 -10.655 23.334 5.762 3 3H MET 1 3HT MET 1 -10.550 23.534 7.446 4 HA MET 1 HA MET 1 -12.807 22.686 7.717 5 1HB MET 1 2HB MET 1 -13.168 23.655 5.265 6 2HB MET 1 1HB MET 1 -12.781 21.997 4.801 7 1HG MET 1 2HG MET 1 -14.789 22.493 6.978 8 2HG MET 1 1HG MET 1 -15.278 22.649 5.291 9 1HE MET 1 1HE MET 1 -16.976 21.116 6.017 10 2HE MET 1 2HE MET 1 -16.868 19.367 5.842 11 3HE MET 1 3HE MET 1 -16.643 20.401 4.434 12 H LYS 2 H LYS 2 -11.194 21.286 8.803 13 HA LYS 2 HA LYS 2 -10.080 19.232 9.150 14 1HB LYS 2 2HB LYS 2 -12.349 18.753 7.264 15 2HB LYS 2 1HB LYS 2 -11.212 17.429 7.525 16 1HG LYS 2 2HG LYS 2 -12.941 17.172 9.167 17 2HG LYS 2 1HG LYS 2 -11.530 17.798 10.019 18 1HD LYS 2 2HD LYS 2 -12.438 19.961 10.195 19 2HD LYS 2 1HD LYS 2 -13.599 19.679 8.898 20 1HE LYS 2 2HE LYS 2 -14.286 17.727 10.732 21 2HE LYS 2 1HE LYS 2 -13.825 19.095 11.764 22 1HZ LYS 2 1HZ LYS 2 -16.140 19.281 11.076 23 2HZ LYS 2 2HZ LYS 2 -15.677 19.223 9.442 24 3HZ LYS 2 3HZ LYS 2 -15.216 20.540 10.412 25 H LYS 3 H LYS 3 -8.214 20.489 7.999 26 HA LYS 3 HA LYS 3 -6.938 18.712 6.112 27 1HB LYS 3 2HB LYS 3 -8.775 20.389 4.990 28 2HB LYS 3 1HB LYS 3 -7.324 21.386 4.891 29 1HG LYS 3 2HG LYS 3 -6.178 19.270 3.934 30 2HG LYS 3 1HG LYS 3 -7.818 18.669 3.679 31 1HD LYS 3 2HD LYS 3 -7.320 19.741 1.643 32 2HD LYS 3 1HD LYS 3 -8.240 20.961 2.525 33 1HE LYS 3 2HE LYS 3 -6.240 22.147 3.148 34 2HE LYS 3 1HE LYS 3 -5.208 20.823 2.571 35 1HZ LYS 3 1HZ LYS 3 -7.093 22.389 0.888 36 2HZ LYS 3 2HZ LYS 3 -6.087 21.130 0.350 37 3HZ LYS 3 3HZ LYS 3 -5.409 22.586 0.905 38 H LYS 4 H LYS 4 -5.181 20.667 4.962 39 HA LYS 4 HA LYS 4 -4.069 22.262 7.148 40 1HB LYS 4 2HB LYS 4 -3.168 19.578 6.390 41 2HB LYS 4 1HB LYS 4 -1.867 20.763 6.324 42 1HG LYS 4 2HG LYS 4 -2.106 21.328 8.607 43 2HG LYS 4 1HG LYS 4 -3.708 20.596 8.708 44 1HD LYS 4 2HD LYS 4 -2.188 19.077 9.781 45 2HD LYS 4 1HD LYS 4 -2.600 18.365 8.221 46 1HE LYS 4 2HE LYS 4 -0.470 19.670 7.373 47 2HE LYS 4 1HE LYS 4 -0.018 19.637 9.090 48 1HZ LYS 4 1HZ LYS 4 0.744 17.634 7.952 49 2HZ LYS 4 2HZ LYS 4 -0.849 17.282 7.475 50 3HZ LYS 4 3HZ LYS 4 -0.427 17.256 9.120 51 H ASP 5 H ASP 5 -1.556 22.693 6.046 52 HA ASP 5 HA ASP 5 -2.110 24.526 3.891 53 1HB ASP 5 2HB ASP 5 0.164 23.520 5.483 54 2HB ASP 5 1HB ASP 5 0.604 24.116 3.882 55 HA PRO 6 HA PRO 6 -1.812 21.678 0.499 56 1HB PRO 6 2HB PRO 6 -1.263 23.427 -1.527 57 2HB PRO 6 1HB PRO 6 -2.874 23.271 -0.798 58 1HG PRO 6 2HG PRO 6 -0.782 25.335 -0.348 59 2HG PRO 6 1HG PRO 6 -2.543 25.505 -0.415 60 1HD PRO 6 2HD PRO 6 -1.095 25.453 1.909 61 2HD PRO 6 1HD PRO 6 -2.803 24.978 1.789 62 H ASN 7 H ASN 7 0.801 23.796 1.416 63 HA ASN 7 HA ASN 7 2.763 22.648 -0.446 64 1HB ASN 7 2HB ASN 7 2.681 24.670 1.772 65 2HB ASN 7 1HB ASN 7 4.245 24.061 1.229 66 1HD2 ASN 7 1HD2 ASN 7 4.694 24.290 -1.179 67 2HD2 ASN 7 2HD2 ASN 7 3.995 25.594 -2.011 68 H ALA 8 H ALA 8 1.680 22.099 2.859 69 HA ALA 8 HA ALA 8 3.996 20.357 3.477 70 1HB ALA 8 1HB ALA 8 3.209 21.841 5.203 71 2HB ALA 8 2HB ALA 8 2.721 20.214 5.678 72 3HB ALA 8 3HB ALA 8 1.541 21.317 4.972 73 HA PRO 9 HA PRO 9 1.852 16.658 2.369 74 1HB PRO 9 2HB PRO 9 2.958 14.856 4.100 75 2HB PRO 9 1HB PRO 9 3.835 15.516 2.706 76 1HG PRO 9 2HG PRO 9 4.012 16.260 5.578 77 2HG PRO 9 1HG PRO 9 5.290 16.151 4.359 78 1HD PRO 9 2HD PRO 9 4.175 18.505 5.189 79 2HD PRO 9 1HD PRO 9 4.917 18.268 3.592 80 H LYS 10 H LYS 10 -0.147 15.859 2.933 81 HA LYS 10 HA LYS 10 -0.892 15.645 5.783 82 1HB LYS 10 2HB LYS 10 -2.963 16.930 5.318 83 2HB LYS 10 1HB LYS 10 -1.519 17.888 4.996 84 1HG LYS 10 2HG LYS 10 -1.932 16.666 2.563 85 2HG LYS 10 1HG LYS 10 -3.584 16.927 3.127 86 1HD LYS 10 2HD LYS 10 -2.957 19.323 3.611 87 2HD LYS 10 1HD LYS 10 -1.412 19.016 2.816 88 1HE LYS 10 2HE LYS 10 -4.054 18.452 1.442 89 2HE LYS 10 1HE LYS 10 -3.235 20.023 1.321 90 1HZ LYS 10 1HZ LYS 10 -2.518 18.531 -0.452 91 2HZ LYS 10 2HZ LYS 10 -2.014 17.385 0.697 92 3HZ LYS 10 3HZ LYS 10 -1.231 18.889 0.592 93 H ARG 11 H ARG 11 -0.344 13.718 3.621 94 HA ARG 11 HA ARG 11 -2.889 12.185 3.790 95 1HB ARG 11 2HB ARG 11 -1.442 13.122 1.309 96 2HB ARG 11 1HB ARG 11 -2.525 11.729 1.266 97 1HG ARG 11 2HG ARG 11 -4.339 13.148 2.211 98 2HG ARG 11 1HG ARG 11 -3.251 14.535 2.154 99 1HD ARG 11 2HD ARG 11 -3.153 14.485 -0.240 100 2HD ARG 11 1HD ARG 11 -3.919 12.885 -0.303 101 HE ARG 11 HE ARG 11 -5.390 15.201 0.881 102 1HH1 ARG 11 1HH1 ARG 11 -5.553 15.083 -2.101 103 2HH1 ARG 11 2HH1 ARG 11 -6.958 14.101 -2.353 104 1HH2 ARG 11 1HH2 ARG 11 -6.999 12.861 0.884 105 2HH2 ARG 11 2HH2 ARG 11 -7.776 12.844 -0.663 106 HA PRO 12 HA PRO 12 1.038 9.705 4.211 107 1HB PRO 12 2HB PRO 12 0.625 8.754 6.736 108 2HB PRO 12 1HB PRO 12 1.454 10.287 6.403 109 1HG PRO 12 2HG PRO 12 -1.310 9.797 7.344 110 2HG PRO 12 1HG PRO 12 -0.206 11.128 7.708 111 1HD PRO 12 2HD PRO 12 -2.318 11.253 5.924 112 2HD PRO 12 1HD PRO 12 -0.931 12.363 5.952 113 HA PRO 13 HA PRO 13 -1.757 6.289 3.295 114 1HB PRO 13 2HB PRO 13 0.034 4.748 1.923 115 2HB PRO 13 1HB PRO 13 -0.773 6.154 1.205 116 1HG PRO 13 2HG PRO 13 2.002 5.857 2.145 117 2HG PRO 13 1HG PRO 13 1.338 6.913 0.895 118 1HD PRO 13 2HD PRO 13 2.050 7.652 3.511 119 2HD PRO 13 1HD PRO 13 1.124 8.628 2.353 120 H SER 14 H SER 14 -1.469 3.751 3.606 121 HA SER 14 HA SER 14 0.570 2.890 5.510 122 1HB SER 14 2HB SER 14 -0.824 2.795 7.456 123 2HB SER 14 1HB SER 14 -1.060 4.401 6.773 124 HG SER 14 HG SER 14 -3.085 3.723 6.997 125 H ALA 15 H ALA 15 0.023 1.622 3.163 126 HA ALA 15 HA ALA 15 -0.416 -0.497 2.313 127 1HB ALA 15 1HB ALA 15 -0.248 -0.818 5.147 128 2HB ALA 15 2HB ALA 15 0.007 -2.040 3.904 129 3HB ALA 15 3HB ALA 15 -1.600 -1.802 4.586 130 H PHE 16 H PHE 16 -3.080 -0.507 4.731 131 HA PHE 16 HA PHE 16 -5.123 -1.360 3.063 132 1HB PHE 16 2HB PHE 16 -4.949 -0.728 5.612 133 2HB PHE 16 1HB PHE 16 -5.603 0.820 5.076 134 HD1 PHE 16 1HD PHE 16 -7.762 0.819 3.703 135 HD2 PHE 16 2HD PHE 16 -6.359 -2.612 5.874 136 HE1 PHE 16 1HE PHE 16 -10.037 -0.165 3.617 137 HE2 PHE 16 2HE PHE 16 -8.635 -3.595 5.788 138 HZ PHE 16 HZ PHE 16 -10.473 -2.372 4.660 139 H PHE 17 H PHE 17 -4.326 2.075 3.702 140 HA PHE 17 HA PHE 17 -6.239 3.289 2.008 141 1HB PHE 17 2HB PHE 17 -4.360 4.161 3.682 142 2HB PHE 17 1HB PHE 17 -3.450 4.370 2.187 143 HD1 PHE 17 1HD PHE 17 -4.636 5.624 0.247 144 HD2 PHE 17 2HD PHE 17 -5.932 5.779 4.339 145 HE1 PHE 17 1HE PHE 17 -5.894 7.708 -0.231 146 HE2 PHE 17 2HE PHE 17 -7.191 7.863 3.861 147 HZ PHE 17 HZ PHE 17 -7.170 8.827 1.576 148 H LEU 18 H LEU 18 -3.216 1.668 1.197 149 HA LEU 18 HA LEU 18 -3.179 2.655 -1.574 150 1HB LEU 18 2HB LEU 18 -1.597 0.383 -0.334 151 2HB LEU 18 1HB LEU 18 -1.149 1.364 -1.723 152 HG LEU 18 HG LEU 18 -1.327 2.294 1.161 153 1HD1 LEU 18 1HD1 LEU 18 0.899 1.607 -0.731 154 2HD1 LEU 18 2HD1 LEU 18 0.716 1.191 0.972 155 3HD1 LEU 18 3HD1 LEU 18 1.163 2.833 0.508 156 1HD2 LEU 18 1HD2 LEU 18 -1.924 4.237 0.023 157 2HD2 LEU 18 2HD2 LEU 18 -1.068 3.763 -1.444 158 3HD2 LEU 18 3HD2 LEU 18 -0.167 4.361 -0.051 159 H PHE 19 H PHE 19 -4.414 -0.123 0.184 160 HA PHE 19 HA PHE 19 -4.689 -1.844 -2.170 161 1HB PHE 19 2HB PHE 19 -4.303 -2.645 0.148 162 2HB PHE 19 1HB PHE 19 -5.859 -1.974 0.629 163 HD1 PHE 19 1HD PHE 19 -7.909 -3.104 0.146 164 HD2 PHE 19 2HD PHE 19 -4.214 -4.511 -1.531 165 HE1 PHE 19 1HE PHE 19 -9.040 -5.182 -0.599 166 HE2 PHE 19 2HE PHE 19 -5.345 -6.589 -2.278 167 HZ PHE 19 HZ PHE 19 -7.757 -6.925 -1.810 168 H CYS 20 H CYS 20 -7.078 -0.312 0.031 169 HA CYS 20 HA CYS 20 -9.386 -0.862 -1.552 170 1HB CYS 20 2HB CYS 20 -8.928 0.112 0.897 171 2HB CYS 20 1HB CYS 20 -9.179 1.648 0.067 172 HG CYS 20 HG CYS 20 -11.361 -0.474 -0.441 173 H SER 21 H SER 21 -7.389 2.099 -1.387 174 HA SER 21 HA SER 21 -8.781 3.660 -3.302 175 1HB SER 21 2HB SER 21 -6.975 4.403 -1.752 176 2HB SER 21 1HB SER 21 -5.802 3.528 -2.733 177 HG SER 21 HG SER 21 -6.311 4.873 -4.461 178 H GLU 22 H GLU 22 -6.697 0.890 -3.788 179 HA GLU 22 HA GLU 22 -6.517 1.476 -6.712 180 1HB GLU 22 2HB GLU 22 -4.957 -0.099 -4.709 181 2HB GLU 22 1HB GLU 22 -4.836 -0.528 -6.413 182 1HG GLU 22 2HG GLU 22 -4.380 2.261 -5.313 183 2HG GLU 22 1HG GLU 22 -3.091 1.118 -5.693 184 H TYR 23 H TYR 23 -8.176 -0.547 -4.451 185 HA TYR 23 HA TYR 23 -8.657 -2.692 -6.449 186 1HB TYR 23 2HB TYR 23 -8.846 -2.292 -3.527 187 2HB TYR 23 1HB TYR 23 -10.130 -3.289 -4.210 188 HD1 TYR 23 1HD TYR 23 -9.728 -5.569 -4.501 189 HD2 TYR 23 2HD TYR 23 -6.409 -2.841 -4.455 190 HE1 TYR 23 1HE TYR 23 -8.156 -7.478 -4.688 191 HE2 TYR 23 2HE TYR 23 -4.838 -4.750 -4.641 192 HH TYR 23 HH TYR 23 -5.468 -7.726 -3.923 193 H ARG 24 H ARG 24 -10.435 -0.147 -4.703 194 HA ARG 24 HA ARG 24 -13.078 -0.700 -5.309 195 1HB ARG 24 2HB ARG 24 -11.578 1.928 -5.344 196 2HB ARG 24 1HB ARG 24 -13.336 1.793 -5.337 197 1HG ARG 24 2HG ARG 24 -13.383 0.824 -3.192 198 2HG ARG 24 1HG ARG 24 -11.676 0.386 -3.253 199 1HD ARG 24 2HD ARG 24 -10.995 2.462 -2.566 200 2HD ARG 24 1HD ARG 24 -12.248 3.289 -3.514 201 HE ARG 24 HE ARG 24 -13.104 1.727 -1.133 202 1HH1 ARG 24 1HH2 ARG 24 -11.650 4.489 -0.808 203 2HH1 ARG 24 2HH2 ARG 24 -13.027 5.512 -0.571 204 1HH2 ARG 24 1HH1 ARG 24 -15.308 3.142 -1.667 205 2HH2 ARG 24 2HH1 ARG 24 -15.098 4.750 -1.058 206 HA PRO 25 HA PRO 25 -12.733 1.484 -9.641 207 1HB PRO 25 2HB PRO 25 -10.232 1.427 -10.789 208 2HB PRO 25 1HB PRO 25 -10.866 2.814 -9.878 209 1HG PRO 25 2HG PRO 25 -9.071 0.610 -8.948 210 2HG PRO 25 1HG PRO 25 -8.931 2.359 -8.684 211 1HD PRO 25 2HD PRO 25 -9.885 0.793 -6.776 212 2HD PRO 25 1HD PRO 25 -10.619 2.383 -7.070 213 H LYS 26 H LYS 26 -10.780 -1.258 -8.651 214 HA LYS 26 HA LYS 26 -10.980 -2.782 -11.119 215 1HB LYS 26 2HB LYS 26 -9.441 -3.030 -9.018 216 2HB LYS 26 1HB LYS 26 -10.816 -3.888 -8.316 217 1HG LYS 26 2HG LYS 26 -9.788 -4.643 -11.044 218 2HG LYS 26 1HG LYS 26 -9.003 -5.270 -9.595 219 1HD LYS 26 2HD LYS 26 -11.347 -5.976 -8.823 220 2HD LYS 26 1HD LYS 26 -11.865 -5.663 -10.479 221 1HE LYS 26 2HE LYS 26 -10.442 -7.359 -11.361 222 2HE LYS 26 1HE LYS 26 -9.519 -7.474 -9.850 223 1HZ LYS 26 1HZ LYS 26 -11.155 -9.246 -9.971 224 2HZ LYS 26 2HZ LYS 26 -12.404 -8.113 -10.184 225 3HZ LYS 26 3HZ LYS 26 -11.548 -8.172 -8.718 226 H ILE 27 H ILE 27 -12.732 -2.745 -8.026 227 HA ILE 27 HA ILE 27 -14.702 -4.713 -8.536 228 HB ILE 27 HB ILE 27 -14.808 -2.110 -6.965 229 1HG1 ILE 27 2HG1 ILE 27 -12.948 -3.597 -6.293 230 2HG1 ILE 27 1HG1 ILE 27 -14.174 -3.500 -5.035 231 1HG2 ILE 27 1HG2 ILE 27 -16.570 -4.569 -6.869 232 2HG2 ILE 27 2HG2 ILE 27 -17.058 -2.905 -7.191 233 3HG2 ILE 27 3HG2 ILE 27 -16.517 -3.369 -5.578 234 1HD1 ILE 27 1HD1 ILE 27 -15.160 -5.624 -5.880 235 2HD1 ILE 27 2HD1 ILE 27 -13.499 -5.820 -5.322 236 3HD1 ILE 27 3HD1 ILE 27 -13.844 -5.737 -7.049 237 H LYS 28 H LYS 28 -14.370 -1.501 -9.894 238 HA LYS 28 HA LYS 28 -17.229 -1.244 -10.525 239 1HB LYS 28 2HB LYS 28 -15.021 0.441 -11.707 240 2HB LYS 28 1HB LYS 28 -16.652 0.919 -11.255 241 1HG LYS 28 2HG LYS 28 -14.267 0.450 -9.497 242 2HG LYS 28 1HG LYS 28 -15.232 1.903 -9.628 243 1HD LYS 28 2HD LYS 28 -16.039 -0.715 -8.306 244 2HD LYS 28 1HD LYS 28 -15.742 0.829 -7.515 245 1HE LYS 28 2HE LYS 28 -17.901 0.481 -9.623 246 2HE LYS 28 1HE LYS 28 -18.206 0.287 -7.885 247 1HZ LYS 28 1HZ LYS 28 -18.585 2.572 -8.508 248 2HZ LYS 28 2HZ LYS 28 -17.044 2.678 -9.215 249 3HZ LYS 28 3HZ LYS 28 -17.199 2.485 -7.534 250 H SER 29 H SER 29 -14.299 -2.328 -12.135 251 HA SER 29 HA SER 29 -15.282 -2.231 -14.844 252 1HB SER 29 2HB SER 29 -12.894 -2.456 -13.947 253 2HB SER 29 1HB SER 29 -13.260 -4.157 -13.674 254 HG SER 29 HG SER 29 -12.824 -2.769 -16.019 255 H GLU 30 H GLU 30 -15.931 -4.411 -12.200 256 HA GLU 30 HA GLU 30 -17.316 -6.265 -14.110 257 1HB GLU 30 2HB GLU 30 -15.373 -6.685 -11.905 258 2HB GLU 30 1HB GLU 30 -16.702 -7.840 -11.986 259 1HG GLU 30 2HG GLU 30 -15.137 -7.121 -14.459 260 2HG GLU 30 1HG GLU 30 -14.549 -8.358 -13.347 261 H HIS 31 H HIS 31 -17.817 -4.064 -11.617 262 HA HIS 31 HA HIS 31 -20.462 -5.305 -11.021 263 1HB HIS 31 2HB HIS 31 -18.684 -4.093 -8.880 264 2HB HIS 31 1HB HIS 31 -20.178 -4.985 -8.649 265 HD1 HIS 31 1HD HIS 31 -16.568 -5.442 -8.793 266 HD2 HIS 31 2HD HIS 31 -19.906 -7.844 -9.477 267 HE1 HIS 31 1HE HIS 31 -15.749 -7.837 -8.746 268 HA PRO 32 HA PRO 32 -20.868 -0.883 -12.069 269 1HB PRO 32 2HB PRO 32 -23.302 -1.120 -13.301 270 2HB PRO 32 1HB PRO 32 -21.762 -1.413 -14.125 271 1HG PRO 32 2HG PRO 32 -23.742 -3.352 -13.085 272 2HG PRO 32 1HG PRO 32 -22.681 -3.462 -14.498 273 1HD PRO 32 2HD PRO 32 -22.236 -4.727 -12.089 274 2HD PRO 32 1HD PRO 32 -20.991 -4.385 -13.307 275 H GLY 33 H GLY 33 -23.327 -3.072 -10.752 276 1HA GLY 33 2HA GLY 33 -24.913 -0.997 -9.517 277 2HA GLY 33 1HA GLY 33 -24.996 -2.718 -9.146 278 H LEU 34 H LEU 34 -22.048 -2.778 -8.597 279 HA LEU 34 HA LEU 34 -21.945 -2.643 -5.819 280 1HB LEU 34 2HB LEU 34 -20.169 -2.933 -8.035 281 2HB LEU 34 1HB LEU 34 -19.419 -1.797 -6.924 282 HG LEU 34 HG LEU 34 -18.788 -4.144 -6.426 283 1HD1 LEU 34 1HD1 LEU 34 -19.675 -4.083 -3.978 284 2HD1 LEU 34 2HD1 LEU 34 -20.390 -2.541 -4.449 285 3HD1 LEU 34 3HD1 LEU 34 -18.644 -2.767 -4.538 286 1HD2 LEU 34 1HD2 LEU 34 -21.454 -4.784 -5.301 287 2HD2 LEU 34 2HD2 LEU 34 -20.305 -5.827 -6.138 288 3HD2 LEU 34 3HD2 LEU 34 -21.370 -4.770 -7.062 289 H SER 35 H SER 35 -23.040 -0.726 -5.039 290 HA SER 35 HA SER 35 -22.120 1.960 -5.730 291 1HB SER 35 2HB SER 35 -23.693 2.558 -3.876 292 2HB SER 35 1HB SER 35 -24.425 1.468 -5.050 293 HG SER 35 HG SER 35 -24.767 0.816 -2.863 294 H ILE 36 H ILE 36 -21.577 3.390 -3.603 295 HA ILE 36 HA ILE 36 -18.983 2.609 -2.696 296 HB ILE 36 HB ILE 36 -21.039 4.666 -1.867 297 1HG1 ILE 36 2HG1 ILE 36 -19.010 6.121 -2.620 298 2HG1 ILE 36 1HG1 ILE 36 -18.398 4.626 -3.321 299 1HG2 ILE 36 1HG2 ILE 36 -18.391 4.048 -0.537 300 2HG2 ILE 36 2HG2 ILE 36 -19.961 4.306 0.225 301 3HG2 ILE 36 3HG2 ILE 36 -19.094 5.665 -0.488 302 1HD1 ILE 36 1HD1 ILE 36 -19.831 6.145 -4.839 303 2HD1 ILE 36 2HD1 ILE 36 -21.203 5.585 -3.881 304 3HD1 ILE 36 3HD1 ILE 36 -20.235 4.429 -4.796 305 H GLY 37 H GLY 37 -22.209 2.142 -1.308 306 1HA GLY 37 2HA GLY 37 -21.452 1.291 1.300 307 2HA GLY 37 1HA GLY 37 -22.928 0.788 0.472 308 H ASP 38 H ASP 38 -22.151 -0.687 -1.598 309 HA ASP 38 HA ASP 38 -21.146 -3.150 -0.411 310 1HB ASP 38 2HB ASP 38 -21.897 -2.205 -3.186 311 2HB ASP 38 1HB ASP 38 -21.325 -3.846 -2.880 312 H THR 39 H THR 39 -19.803 -0.655 -2.556 313 HA THR 39 HA THR 39 -17.356 -2.034 -3.208 314 HB THR 39 HB THR 39 -17.979 0.929 -3.027 315 HG1 THR 39 1HG THR 39 -18.758 0.719 -5.019 316 1HG2 THR 39 1HG2 THR 39 -15.614 0.687 -3.196 317 2HG2 THR 39 2HG2 THR 39 -16.170 0.986 -4.843 318 3HG2 THR 39 3HG2 THR 39 -15.759 -0.652 -4.333 319 H ALA 40 H ALA 40 -18.404 -0.238 -0.385 320 HA ALA 40 HA ALA 40 -15.684 0.104 0.678 321 1HB ALA 40 1HB ALA 40 -16.966 1.038 2.601 322 2HB ALA 40 2HB ALA 40 -18.463 0.504 1.836 323 3HB ALA 40 3HB ALA 40 -17.472 1.745 1.067 324 H LYS 41 H LYS 41 -18.425 -2.109 1.123 325 HA LYS 41 HA LYS 41 -16.959 -3.516 3.284 326 1HB LYS 41 2HB LYS 41 -19.112 -4.562 3.730 327 2HB LYS 41 1HB LYS 41 -19.331 -2.822 3.570 328 1HG LYS 41 2HG LYS 41 -19.980 -3.194 1.179 329 2HG LYS 41 1HG LYS 41 -19.909 -4.927 1.470 330 1HD LYS 41 2HD LYS 41 -22.204 -4.297 1.753 331 2HD LYS 41 1HD LYS 41 -21.558 -4.549 3.375 332 1HE LYS 41 2HE LYS 41 -20.989 -1.886 2.986 333 2HE LYS 41 1HE LYS 41 -22.528 -2.060 2.117 334 1HZ LYS 41 1HZ LYS 41 -21.996 -3.061 4.864 335 2HZ LYS 41 2HZ LYS 41 -23.470 -3.172 4.025 336 3HZ LYS 41 3HZ LYS 41 -22.870 -1.655 4.499 337 H LYS 42 H LYS 42 -17.559 -3.853 -0.124 338 HA LYS 42 HA LYS 42 -17.319 -6.787 -0.140 339 1HB LYS 42 2HB LYS 42 -18.675 -5.298 -1.715 340 2HB LYS 42 1HB LYS 42 -17.141 -4.812 -2.434 341 1HG LYS 42 2HG LYS 42 -17.872 -6.595 -3.789 342 2HG LYS 42 1HG LYS 42 -16.713 -7.356 -2.694 343 1HD LYS 42 2HD LYS 42 -19.486 -7.240 -1.668 344 2HD LYS 42 1HD LYS 42 -19.273 -8.254 -3.092 345 1HE LYS 42 2HE LYS 42 -17.077 -8.774 -1.323 346 2HE LYS 42 1HE LYS 42 -18.578 -8.871 -0.387 347 1HZ LYS 42 1HZ LYS 42 -18.003 -10.240 -2.960 348 2HZ LYS 42 2HZ LYS 42 -19.524 -10.224 -2.204 349 3HZ LYS 42 3HZ LYS 42 -18.204 -10.978 -1.447 350 H LEU 43 H LEU 43 -15.125 -4.227 0.208 351 HA LEU 43 HA LEU 43 -12.931 -5.558 -1.289 352 1HB LEU 43 2HB LEU 43 -13.278 -2.924 0.167 353 2HB LEU 43 1HB LEU 43 -11.741 -3.432 -0.534 354 HG LEU 43 HG LEU 43 -14.328 -3.244 -2.100 355 1HD1 LEU 43 1HD1 LEU 43 -13.314 -1.049 -1.163 356 2HD1 LEU 43 2HD1 LEU 43 -13.643 -1.130 -2.894 357 3HD1 LEU 43 3HD1 LEU 43 -11.996 -1.341 -2.299 358 1HD2 LEU 43 1HD2 LEU 43 -11.454 -3.873 -2.747 359 2HD2 LEU 43 2HD2 LEU 43 -12.508 -3.179 -3.978 360 3HD2 LEU 43 3HD2 LEU 43 -12.913 -4.730 -3.244 361 H GLY 44 H GLY 44 -13.916 -4.609 1.981 362 1HA GLY 44 2HA GLY 44 -11.581 -5.390 3.399 363 2HA GLY 44 1HA GLY 44 -13.201 -5.336 4.095 364 H GLU 45 H GLU 45 -14.300 -7.293 2.193 365 HA GLU 45 HA GLU 45 -13.955 -9.708 3.626 366 1HB GLU 45 2HB GLU 45 -15.727 -8.976 1.911 367 2HB GLU 45 1HB GLU 45 -14.586 -9.505 0.673 368 1HG GLU 45 2HG GLU 45 -14.636 -11.756 1.437 369 2HG GLU 45 1HG GLU 45 -15.416 -11.304 2.953 370 H MET 46 H MET 46 -12.201 -8.486 0.786 371 HA MET 46 HA MET 46 -10.635 -10.919 0.395 372 1HB MET 46 2HB MET 46 -10.351 -8.047 -0.554 373 2HB MET 46 1HB MET 46 -9.389 -9.392 -1.166 374 1HG MET 46 2HG MET 46 -11.393 -10.519 -1.971 375 2HG MET 46 1HG MET 46 -12.417 -9.272 -1.257 376 1HE MET 46 1HE MET 46 -12.536 -10.377 -3.981 377 2HE MET 46 2HE MET 46 -10.889 -10.384 -4.608 378 3HE MET 46 3HE MET 46 -12.089 -9.309 -5.319 379 H TRP 47 H TRP 47 -10.032 -7.709 1.829 380 HA TRP 47 HA TRP 47 -7.309 -7.977 2.522 381 1HB TRP 47 2HB TRP 47 -8.779 -5.951 2.694 382 2HB TRP 47 1HB TRP 47 -9.520 -6.661 4.130 383 HD1 TRP 47 HD TRP 47 -8.435 -6.027 6.332 384 HE1 TRP 47 1HE TRP 47 -6.138 -5.116 7.067 385 HE3 TRP 47 3HE TRP 47 -5.998 -6.048 1.843 386 HZ2 TRP 47 2HZ TRP 47 -3.602 -4.482 5.906 387 HZ3 TRP 47 3HZ TRP 47 -3.644 -5.287 1.687 388 HH2 TRP 47 HH TRP 47 -2.445 -4.505 3.710 389 H SER 48 H SER 48 -10.101 -9.550 3.946 390 HA SER 48 HA SER 48 -8.658 -10.321 6.404 391 1HB SER 48 2HB SER 48 -11.093 -9.712 6.290 392 2HB SER 48 1HB SER 48 -11.364 -11.143 5.299 393 HG SER 48 HG SER 48 -11.687 -11.336 7.662 394 H GLU 49 H GLU 49 -9.616 -11.720 3.302 395 HA GLU 49 HA GLU 49 -8.719 -14.429 4.088 396 1HB GLU 49 2HB GLU 49 -9.983 -13.144 1.663 397 2HB GLU 49 1HB GLU 49 -9.433 -14.821 1.641 398 1HG GLU 49 2HG GLU 49 -11.257 -13.800 3.817 399 2HG GLU 49 1HG GLU 49 -11.899 -14.390 2.283 400 H GLN 50 H GLN 50 -7.219 -11.622 2.928 401 HA GLN 50 HA GLN 50 -5.449 -12.546 0.902 402 1HB GLN 50 2HB GLN 50 -4.080 -10.607 1.642 403 2HB GLN 50 1HB GLN 50 -5.789 -10.190 1.527 404 1HG GLN 50 2HG GLN 50 -5.330 -9.311 3.612 405 2HG GLN 50 1HG GLN 50 -5.755 -10.953 4.091 406 1HE2 GLN 50 1HE2 GLN 50 -4.300 -11.511 5.729 407 2HE2 GLN 50 2HE2 GLN 50 -2.618 -11.305 5.634 408 H SER 51 H SER 51 -2.890 -12.205 1.744 409 HA SER 51 HA SER 51 -2.312 -13.907 4.079 410 1HB SER 51 2HB SER 51 -2.912 -15.388 2.098 411 2HB SER 51 1HB SER 51 -1.502 -14.732 1.270 412 HG SER 51 HG SER 51 -0.779 -16.527 2.288 413 H ALA 52 H ALA 52 0.397 -14.493 2.872 414 HA ALA 52 HA ALA 52 1.718 -12.024 3.649 415 1HB ALA 52 1HB ALA 52 2.563 -14.356 3.997 416 2HB ALA 52 2HB ALA 52 3.730 -13.324 3.171 417 3HB ALA 52 3HB ALA 52 2.787 -14.498 2.254 418 H LYS 53 H LYS 53 0.196 -12.877 0.726 419 HA LYS 53 HA LYS 53 2.166 -11.553 -1.034 420 1HB LYS 53 2HB LYS 53 -0.379 -13.117 -1.276 421 2HB LYS 53 1HB LYS 53 0.111 -12.098 -2.630 422 1HG LYS 53 2HG LYS 53 2.221 -13.241 -2.828 423 2HG LYS 53 1HG LYS 53 1.950 -14.118 -1.322 424 1HD LYS 53 2HD LYS 53 0.039 -14.367 -3.644 425 2HD LYS 53 1HD LYS 53 1.480 -15.378 -3.528 426 1HE LYS 53 2HE LYS 53 0.631 -15.867 -1.090 427 2HE LYS 53 1HE LYS 53 -0.934 -15.325 -1.729 428 1HZ LYS 53 1HZ LYS 53 -0.635 -17.695 -2.108 429 2HZ LYS 53 2HZ LYS 53 0.815 -17.401 -2.943 430 3HZ LYS 53 3HZ LYS 53 -0.661 -16.859 -3.584 431 H ASP 54 H ASP 54 -1.116 -10.953 0.256 432 HA ASP 54 HA ASP 54 -1.308 -8.383 -1.183 433 1HB ASP 54 2HB ASP 54 -3.065 -10.316 -0.200 434 2HB ASP 54 1HB ASP 54 -3.297 -8.949 0.888 435 H LYS 55 H LYS 55 0.896 -8.245 0.464 436 HA LYS 55 HA LYS 55 0.166 -6.049 2.265 437 1HB LYS 55 2HB LYS 55 1.005 -8.771 3.205 438 2HB LYS 55 1HB LYS 55 1.505 -7.361 4.125 439 1HG LYS 55 2HG LYS 55 -1.036 -6.687 3.894 440 2HG LYS 55 1HG LYS 55 -1.255 -8.418 3.643 441 1HD LYS 55 2HD LYS 55 0.424 -7.468 5.943 442 2HD LYS 55 1HD LYS 55 -1.335 -7.436 6.084 443 1HE LYS 55 2HE LYS 55 -1.105 -9.922 5.131 444 2HE LYS 55 1HE LYS 55 0.501 -9.790 5.876 445 1HZ LYS 55 1HZ LYS 55 -0.563 -8.980 7.905 446 2HZ LYS 55 2HZ LYS 55 -1.115 -10.535 7.505 447 3HZ LYS 55 3HZ LYS 55 -2.091 -9.179 7.198 448 H GLN 56 H GLN 56 2.851 -8.380 1.819 449 HA GLN 56 HA GLN 56 5.081 -6.867 2.299 450 1HB GLN 56 2HB GLN 56 4.343 -9.030 0.415 451 2HB GLN 56 1HB GLN 56 5.871 -8.217 0.079 452 1HG GLN 56 2HG GLN 56 5.180 -9.190 2.853 453 2HG GLN 56 1HG GLN 56 5.947 -10.248 1.667 454 1HE2 GLN 56 1HE2 GLN 56 8.040 -9.317 0.660 455 2HE2 GLN 56 2HE2 GLN 56 9.042 -8.391 1.668 456 HA PRO 57 HA PRO 57 5.229 -4.855 -2.024 457 1HB PRO 57 2HB PRO 57 3.083 -5.056 -3.692 458 2HB PRO 57 1HB PRO 57 4.400 -6.244 -3.658 459 1HG PRO 57 2HG PRO 57 1.693 -6.386 -2.461 460 2HG PRO 57 1HG PRO 57 2.658 -7.662 -3.216 461 1HD PRO 57 2HD PRO 57 2.365 -7.338 -0.510 462 2HD PRO 57 1HD PRO 57 3.746 -8.150 -1.275 463 H TYR 58 H TYR 58 1.929 -4.852 -0.655 464 HA TYR 58 HA TYR 58 1.509 -2.017 -1.353 465 1HB TYR 58 2HB TYR 58 -0.015 -4.297 -0.173 466 2HB TYR 58 1HB TYR 58 -0.596 -2.667 0.164 467 HD1 TYR 58 1HD TYR 58 -2.126 -1.762 -1.333 468 HD2 TYR 58 2HD TYR 58 0.738 -4.632 -2.749 469 HE1 TYR 58 1HE TYR 58 -3.133 -1.650 -3.597 470 HE2 TYR 58 2HE TYR 58 -0.268 -4.520 -5.013 471 HH TYR 58 HH TYR 58 -1.640 -2.745 -6.327 472 H GLU 59 H GLU 59 2.744 -3.780 1.372 473 HA GLU 59 HA GLU 59 2.113 -1.691 3.340 474 1HB GLU 59 2HB GLU 59 3.060 -3.281 4.886 475 2HB GLU 59 1HB GLU 59 2.178 -4.221 3.695 476 1HG GLU 59 2HG GLU 59 4.170 -5.407 3.776 477 2HG GLU 59 1HG GLU 59 4.523 -4.282 2.467 478 H GLN 60 H GLN 60 4.829 -2.693 1.347 479 HA GLN 60 HA GLN 60 6.799 -0.997 2.679 480 1HB GLN 60 2HB GLN 60 8.215 -1.732 0.801 481 2HB GLN 60 1HB GLN 60 7.326 -3.102 1.463 482 1HG GLN 60 2HG GLN 60 5.734 -3.040 -0.350 483 2HG GLN 60 1HG GLN 60 6.382 -1.509 -0.938 484 1HE2 GLN 60 1HE2 GLN 60 7.444 -4.899 -0.308 485 2HE2 GLN 60 2HE2 GLN 60 8.546 -4.947 -1.598 486 H LYS 61 H LYS 61 4.455 -0.606 0.112 487 HA LYS 61 HA LYS 61 5.586 1.643 -1.257 488 1HB LYS 61 2HB LYS 61 3.730 0.276 -2.111 489 2HB LYS 61 1HB LYS 61 2.717 0.765 -0.755 490 1HG LYS 61 2HG LYS 61 2.610 3.025 -1.526 491 2HG LYS 61 1HG LYS 61 3.896 2.756 -2.705 492 1HD LYS 61 2HD LYS 61 2.392 1.068 -3.830 493 2HD LYS 61 1HD LYS 61 1.100 1.590 -2.748 494 1HE LYS 61 2HE LYS 61 1.530 3.970 -3.590 495 2HE LYS 61 1HE LYS 61 2.523 3.231 -4.862 496 1HZ LYS 61 1HZ LYS 61 0.664 1.820 -5.461 497 2HZ LYS 61 2HZ LYS 61 0.204 3.452 -5.560 498 3HZ LYS 61 3HZ LYS 61 -0.291 2.504 -4.239 499 H ALA 62 H ALA 62 3.386 1.442 1.557 500 HA ALA 62 HA ALA 62 3.269 4.348 1.876 501 1HB ALA 62 1HB ALA 62 2.060 3.657 3.975 502 2HB ALA 62 2HB ALA 62 2.450 1.980 3.591 503 3HB ALA 62 3HB ALA 62 1.406 2.912 2.517 504 H ALA 63 H ALA 63 5.455 1.828 2.809 505 HA ALA 63 HA ALA 63 6.478 2.767 5.280 506 1HB ALA 63 1HB ALA 63 6.945 0.608 4.009 507 2HB ALA 63 2HB ALA 63 8.360 1.369 4.735 508 3HB ALA 63 3HB ALA 63 8.059 1.537 3.005 509 H LYS 64 H LYS 64 7.410 3.676 1.914 510 HA LYS 64 HA LYS 64 9.528 5.468 2.735 511 1HB LYS 64 2HB LYS 64 7.828 5.326 0.219 512 2HB LYS 64 1HB LYS 64 9.361 6.186 0.364 513 1HG LYS 64 2HG LYS 64 9.096 3.229 0.945 514 2HG LYS 64 1HG LYS 64 9.496 3.850 -0.656 515 1HD LYS 64 2HD LYS 64 11.493 4.923 0.188 516 2HD LYS 64 1HD LYS 64 11.056 4.530 1.850 517 1HE LYS 64 2HE LYS 64 11.207 2.097 1.282 518 2HE LYS 64 1HE LYS 64 11.769 2.547 -0.341 519 1HZ LYS 64 1HZ LYS 64 13.616 2.185 1.234 520 2HZ LYS 64 2HZ LYS 64 13.027 3.456 2.193 521 3HZ LYS 64 3HZ LYS 64 13.586 3.764 0.618 522 H LEU 65 H LEU 65 6.340 6.243 1.291 523 HA LEU 65 HA LEU 65 6.222 8.982 1.663 524 1HB LEU 65 2HB LEU 65 4.233 6.746 1.743 525 2HB LEU 65 1HB LEU 65 3.673 8.377 2.115 526 HG LEU 65 HG LEU 65 5.033 9.002 -0.066 527 1HD1 LEU 65 1HD1 LEU 65 4.551 6.031 -0.272 528 2HD1 LEU 65 2HD1 LEU 65 6.022 6.934 -0.633 529 3HD1 LEU 65 3HD1 LEU 65 4.634 7.040 -1.716 530 1HD2 LEU 65 1HD2 LEU 65 2.987 9.131 -1.148 531 2HD2 LEU 65 2HD2 LEU 65 2.433 8.877 0.507 532 3HD2 LEU 65 3HD2 LEU 65 2.490 7.522 -0.621 533 H LYS 66 H LYS 66 5.942 6.549 4.198 534 HA LYS 66 HA LYS 66 4.763 8.187 6.247 535 1HB LYS 66 2HB LYS 66 5.020 5.693 6.245 536 2HB LYS 66 1HB LYS 66 6.756 5.905 6.479 537 1HG LYS 66 2HG LYS 66 5.952 5.602 8.672 538 2HG LYS 66 1HG LYS 66 6.074 7.356 8.527 539 1HD LYS 66 2HD LYS 66 3.732 7.597 8.186 540 2HD LYS 66 1HD LYS 66 3.523 5.872 7.879 541 1HE LYS 66 2HE LYS 66 4.539 5.678 10.347 542 2HE LYS 66 1HE LYS 66 3.833 7.301 10.487 543 1HZ LYS 66 1HZ LYS 66 2.171 5.639 11.004 544 2HZ LYS 66 2HZ LYS 66 2.437 4.861 9.518 545 3HZ LYS 66 3HZ LYS 66 1.765 6.420 9.555 546 H GLU 67 H GLU 67 8.181 7.363 5.576 547 HA GLU 67 HA GLU 67 9.361 9.064 7.544 548 1HB GLU 67 2HB GLU 67 10.219 7.847 4.921 549 2HB GLU 67 1HB GLU 67 11.317 8.903 5.810 550 1HG GLU 67 2HG GLU 67 11.189 7.471 7.771 551 2HG GLU 67 1HG GLU 67 9.967 6.461 6.995 552 H LYS 68 H LYS 68 8.860 9.640 4.037 553 HA LYS 68 HA LYS 68 9.800 12.305 3.907 554 1HB LYS 68 2HB LYS 68 7.756 10.669 2.414 555 2HB LYS 68 1HB LYS 68 8.040 12.354 1.972 556 1HG LYS 68 2HG LYS 68 10.436 11.880 1.660 557 2HG LYS 68 1HG LYS 68 10.168 10.198 2.120 558 1HD LYS 68 2HD LYS 68 8.429 10.158 0.205 559 2HD LYS 68 1HD LYS 68 9.206 11.642 -0.346 560 1HE LYS 68 2HE LYS 68 11.422 10.383 -0.267 561 2HE LYS 68 1HE LYS 68 10.469 8.902 -0.038 562 1HZ LYS 68 1HZ LYS 68 9.203 9.448 -2.024 563 2HZ LYS 68 2HZ LYS 68 10.858 9.331 -2.394 564 3HZ LYS 68 3HZ LYS 68 10.121 10.855 -2.254 565 H TYR 69 H TYR 69 6.776 11.048 5.179 566 HA TYR 69 HA TYR 69 5.426 13.657 5.231 567 1HB TYR 69 2HB TYR 69 4.301 11.427 4.971 568 2HB TYR 69 1HB TYR 69 4.794 11.028 6.617 569 HD1 TYR 69 1HD TYR 69 2.395 12.791 4.555 570 HD2 TYR 69 2HD TYR 69 3.994 12.489 8.530 571 HE1 TYR 69 1HE TYR 69 0.414 13.988 5.444 572 HE2 TYR 69 2HE TYR 69 2.013 13.686 9.418 573 HH TYR 69 HH TYR 69 -0.018 15.467 7.615 574 H GLU 70 H GLU 70 6.342 11.368 7.833 575 HA GLU 70 HA GLU 70 6.148 13.162 10.015 576 1HB GLU 70 2HB GLU 70 7.503 10.601 9.364 577 2HB GLU 70 1HB GLU 70 8.130 11.461 10.771 578 1HG GLU 70 2HG GLU 70 5.713 11.665 11.561 579 2HG GLU 70 1HG GLU 70 5.298 10.511 10.294 580 H LYS 71 H LYS 71 8.649 12.893 7.578 581 HA LYS 71 HA LYS 71 10.602 14.480 9.127 582 1HB LYS 71 2HB LYS 71 11.124 12.527 7.592 583 2HB LYS 71 1HB LYS 71 10.660 13.560 6.239 584 1HG LYS 71 2HG LYS 71 12.355 15.257 7.298 585 2HG LYS 71 1HG LYS 71 13.005 13.828 8.101 586 1HD LYS 71 2HD LYS 71 12.513 13.858 5.125 587 2HD LYS 71 1HD LYS 71 14.019 14.467 5.811 588 1HE LYS 71 2HE LYS 71 14.560 12.330 6.764 589 2HE LYS 71 1HE LYS 71 12.933 11.703 6.435 590 1HZ LYS 71 1HZ LYS 71 14.483 11.005 4.712 591 2HZ LYS 71 2HZ LYS 71 14.885 12.623 4.389 592 3HZ LYS 71 3HZ LYS 71 13.316 12.054 4.071 593 H ASP 72 H ASP 72 9.085 14.834 5.892 594 HA ASP 72 HA ASP 72 9.782 17.536 5.441 595 1HB ASP 72 2HB ASP 72 8.841 15.892 3.812 596 2HB ASP 72 1HB ASP 72 7.268 16.068 4.590 597 H ILE 73 H ILE 73 7.299 16.221 7.541 598 HA ILE 73 HA ILE 73 5.752 18.698 7.714 599 HB ILE 73 HB ILE 73 4.832 16.401 8.065 600 1HG1 ILE 73 2HG1 ILE 73 3.671 16.967 10.282 601 2HG1 ILE 73 1HG1 ILE 73 4.681 18.414 10.316 602 1HG2 ILE 73 1HG2 ILE 73 6.063 16.355 10.797 603 2HG2 ILE 73 2HG2 ILE 73 7.016 15.775 9.433 604 3HG2 ILE 73 3HG2 ILE 73 5.472 15.017 9.814 605 1HD1 ILE 73 1HD1 ILE 73 2.925 17.671 7.962 606 2HD1 ILE 73 2HD1 ILE 73 3.760 19.200 8.234 607 3HD1 ILE 73 3HD1 ILE 73 2.401 18.743 9.260 608 H ALA 74 H ALA 74 8.406 17.199 9.488 609 HA ALA 74 HA ALA 74 8.438 18.648 11.894 610 1HB ALA 74 1HB ALA 74 10.821 18.125 11.889 611 2HB ALA 74 2HB ALA 74 10.809 17.935 10.137 612 3HB ALA 74 3HB ALA 74 9.947 16.782 11.154 613 H ALA 75 H ALA 75 9.343 19.723 8.657 614 HA ALA 75 HA ALA 75 10.520 22.253 9.584 615 1HB ALA 75 1HB ALA 75 9.684 21.286 6.831 616 2HB ALA 75 2HB ALA 75 11.256 20.978 7.567 617 3HB ALA 75 3HB ALA 75 10.773 22.628 7.174 618 H TYR 76 H TYR 76 7.347 21.153 9.332 619 HA TYR 76 HA TYR 76 6.256 23.824 8.554 620 1HB TYR 76 2HB TYR 76 5.530 21.797 7.309 621 2HB TYR 76 1HB TYR 76 4.970 21.081 8.821 622 HD1 TYR 76 1HD TYR 76 4.558 24.139 6.693 623 HD2 TYR 76 2HD TYR 76 2.780 21.477 9.559 624 HE1 TYR 76 1HE TYR 76 2.393 25.325 6.452 625 HE2 TYR 76 2HE TYR 76 0.615 22.664 9.318 626 HH TYR 76 HH TYR 76 0.269 25.622 8.077 627 H ARG 77 H ARG 77 7.416 22.801 11.265 628 HA ARG 77 HA ARG 77 5.044 23.573 12.932 629 1HB ARG 77 2HB ARG 77 7.155 21.450 13.425 630 2HB ARG 77 1HB ARG 77 5.888 21.890 14.569 631 1HG ARG 77 2HG ARG 77 4.159 21.191 13.023 632 2HG ARG 77 1HG ARG 77 5.351 20.916 11.751 633 1HD ARG 77 2HD ARG 77 4.894 18.748 12.671 634 2HD ARG 77 1HD ARG 77 6.443 19.234 13.389 635 HE ARG 77 HE ARG 77 5.159 19.976 15.399 636 1HH1 ARG 77 1HH1 ARG 77 4.708 16.961 14.629 637 2HH1 ARG 77 2HH1 ARG 77 3.029 16.816 15.029 638 1HH2 ARG 77 1HH2 ARG 77 2.510 20.238 15.246 639 2HH2 ARG 77 2HH2 ARG 77 1.785 18.670 15.379 640 H ALA 78 H ALA 78 8.585 23.620 12.573 641 HA ALA 78 HA ALA 78 10.229 24.966 13.599 642 1HB ALA 78 1HB ALA 78 8.540 26.565 12.484 643 2HB ALA 78 2HB ALA 78 9.592 27.256 13.719 644 3HB ALA 78 3HB ALA 78 7.921 26.851 14.110 645 H LYS 79 H LYS 79 10.171 23.282 15.409 646 HA LYS 79 HA LYS 79 9.089 24.451 17.954 647 1HB LYS 79 2HB LYS 79 8.474 22.088 16.801 648 2HB LYS 79 1HB LYS 79 9.889 21.589 17.729 649 1HG LYS 79 2HG LYS 79 8.890 22.064 19.772 650 2HG LYS 79 1HG LYS 79 7.794 23.258 19.074 651 1HD LYS 79 2HD LYS 79 6.871 21.138 17.764 652 2HD LYS 79 1HD LYS 79 7.552 20.277 19.145 653 1HE LYS 79 2HE LYS 79 6.283 22.010 20.604 654 2HE LYS 79 1HE LYS 79 5.359 22.352 19.128 655 1HZ LYS 79 1HZ LYS 79 5.751 19.687 20.384 656 2HZ LYS 79 2HZ LYS 79 4.969 19.952 18.898 657 3HZ LYS 79 3HZ LYS 79 4.301 20.567 20.335 Start of MODEL 23 1 1H MET 1 1HT MET 1 -9.982 18.339 6.893 2 2H MET 1 2HT MET 1 -10.604 19.909 6.708 3 3H MET 1 3HT MET 1 -9.256 19.414 5.800 4 HA MET 1 HA MET 1 -12.022 18.337 5.547 5 1HB MET 1 2HB MET 1 -10.970 20.724 4.712 6 2HB MET 1 1HB MET 1 -10.588 19.690 3.335 7 1HG MET 1 2HG MET 1 -13.069 18.902 3.555 8 2HG MET 1 1HG MET 1 -13.283 20.386 4.481 9 1HE MET 1 1HE MET 1 -15.015 21.054 3.004 10 2HE MET 1 2HE MET 1 -14.920 19.921 1.658 11 3HE MET 1 3HE MET 1 -14.867 21.655 1.347 12 H LYS 2 H LYS 2 -11.694 17.614 2.880 13 HA LYS 2 HA LYS 2 -10.015 15.197 3.127 14 1HB LYS 2 2HB LYS 2 -12.144 16.280 1.307 15 2HB LYS 2 1HB LYS 2 -11.130 14.955 0.737 16 1HG LYS 2 2HG LYS 2 -13.005 13.910 1.770 17 2HG LYS 2 1HG LYS 2 -11.692 13.774 2.939 18 1HD LYS 2 2HD LYS 2 -12.604 15.364 4.360 19 2HD LYS 2 1HD LYS 2 -13.468 16.184 3.058 20 1HE LYS 2 2HE LYS 2 -14.632 13.677 3.039 21 2HE LYS 2 1HE LYS 2 -14.337 13.960 4.766 22 1HZ LYS 2 1HZ LYS 2 -15.306 16.180 4.505 23 2HZ LYS 2 2HZ LYS 2 -16.426 14.962 4.125 24 3HZ LYS 2 3HZ LYS 2 -15.666 15.838 2.884 25 H LYS 3 H LYS 3 -8.294 14.710 1.661 26 HA LYS 3 HA LYS 3 -6.377 15.223 0.380 27 1HB LYS 3 2HB LYS 3 -8.727 15.944 -0.975 28 2HB LYS 3 1HB LYS 3 -7.657 17.329 -1.190 29 1HG LYS 3 2HG LYS 3 -5.948 15.979 -2.174 30 2HG LYS 3 1HG LYS 3 -6.745 14.486 -1.678 31 1HD LYS 3 2HD LYS 3 -8.742 15.402 -3.121 32 2HD LYS 3 1HD LYS 3 -7.491 16.384 -3.883 33 1HE LYS 3 2HE LYS 3 -7.442 14.451 -5.217 34 2HE LYS 3 1HE LYS 3 -6.197 14.067 -4.010 35 1HZ LYS 3 1HZ LYS 3 -9.076 13.352 -3.804 36 2HZ LYS 3 2HZ LYS 3 -7.877 12.988 -2.657 37 3HZ LYS 3 3HZ LYS 3 -7.828 12.274 -4.198 38 H LYS 4 H LYS 4 -5.274 17.461 -0.627 39 HA LYS 4 HA LYS 4 -5.548 19.787 1.085 40 1HB LYS 4 2HB LYS 4 -3.643 17.594 1.661 41 2HB LYS 4 1HB LYS 4 -2.956 19.216 1.730 42 1HG LYS 4 2HG LYS 4 -5.213 19.684 3.100 43 2HG LYS 4 1HG LYS 4 -5.040 17.966 3.457 44 1HD LYS 4 2HD LYS 4 -2.580 18.539 4.029 45 2HD LYS 4 1HD LYS 4 -3.133 20.213 4.091 46 1HE LYS 4 2HE LYS 4 -4.380 19.873 6.004 47 2HE LYS 4 1HE LYS 4 -4.752 18.189 5.584 48 1HZ LYS 4 1HZ LYS 4 -2.437 17.614 5.982 49 2HZ LYS 4 2HZ LYS 4 -3.124 18.297 7.377 50 3HZ LYS 4 3HZ LYS 4 -2.085 19.219 6.400 51 H ASP 5 H ASP 5 -2.612 18.379 -0.364 52 HA ASP 5 HA ASP 5 -2.771 19.976 -2.800 53 1HB ASP 5 2HB ASP 5 -1.515 20.986 -0.321 54 2HB ASP 5 1HB ASP 5 -0.510 21.138 -1.761 55 HA PRO 6 HA PRO 6 0.358 17.105 -3.987 56 1HB PRO 6 2HB PRO 6 1.938 18.536 -5.702 57 2HB PRO 6 1HB PRO 6 0.304 17.988 -6.126 58 1HG PRO 6 2HG PRO 6 1.231 20.676 -5.257 59 2HG PRO 6 1HG PRO 6 0.011 20.237 -6.461 60 1HD PRO 6 2HD PRO 6 -0.589 21.090 -3.937 61 2HD PRO 6 1HD PRO 6 -1.644 20.033 -4.901 62 H ASN 7 H ASN 7 1.663 20.305 -3.112 63 HA ASN 7 HA ASN 7 4.299 19.265 -2.409 64 1HB ASN 7 2HB ASN 7 4.634 21.610 -1.659 65 2HB ASN 7 1HB ASN 7 3.911 21.539 -3.265 66 1HD2 ASN 7 1HD2 ASN 7 1.781 22.394 -3.529 67 2HD2 ASN 7 2HD2 ASN 7 0.914 23.126 -2.267 68 H ALA 8 H ALA 8 1.268 19.414 -0.751 69 HA ALA 8 HA ALA 8 2.542 19.375 1.933 70 1HB ALA 8 1HB ALA 8 0.045 19.337 2.572 71 2HB ALA 8 2HB ALA 8 -0.278 19.550 0.852 72 3HB ALA 8 3HB ALA 8 0.621 20.781 1.739 73 HA PRO 9 HA PRO 9 2.323 14.909 1.697 74 1HB PRO 9 2HB PRO 9 3.013 14.340 4.283 75 2HB PRO 9 1HB PRO 9 4.195 14.821 3.049 76 1HG PRO 9 2HG PRO 9 2.959 16.434 5.218 77 2HG PRO 9 1HG PRO 9 4.610 16.471 4.583 78 1HD PRO 9 2HD PRO 9 2.692 18.311 3.939 79 2HD PRO 9 1HD PRO 9 4.066 17.902 2.887 80 H LYS 10 H LYS 10 0.157 14.352 1.506 81 HA LYS 10 HA LYS 10 -1.917 15.014 3.352 82 1HB LYS 10 2HB LYS 10 -3.178 13.308 2.052 83 2HB LYS 10 1HB LYS 10 -2.265 14.387 1.001 84 1HG LYS 10 2HG LYS 10 -0.554 12.199 1.710 85 2HG LYS 10 1HG LYS 10 -2.098 11.532 1.185 86 1HD LYS 10 2HD LYS 10 -1.978 12.685 -0.919 87 2HD LYS 10 1HD LYS 10 -0.597 13.643 -0.384 88 1HE LYS 10 2HE LYS 10 0.626 11.383 -0.078 89 2HE LYS 10 1HE LYS 10 -0.678 10.699 -1.070 90 1HZ LYS 10 1HZ LYS 10 0.947 13.073 -1.815 91 2HZ LYS 10 2HZ LYS 10 -0.246 12.325 -2.767 92 3HZ LYS 10 3HZ LYS 10 1.203 11.509 -2.418 93 H ARG 11 H ARG 11 -3.232 12.643 3.926 94 HA ARG 11 HA ARG 11 -2.041 11.774 6.367 95 1HB ARG 11 2HB ARG 11 -4.335 11.129 4.636 96 2HB ARG 11 1HB ARG 11 -3.774 9.757 5.591 97 1HG ARG 11 2HG ARG 11 -5.319 10.809 7.024 98 2HG ARG 11 1HG ARG 11 -3.766 11.432 7.582 99 1HD ARG 11 2HD ARG 11 -4.095 13.452 6.142 100 2HD ARG 11 1HD ARG 11 -5.707 12.843 5.717 101 HE ARG 11 HE ARG 11 -4.963 13.215 8.587 102 1HH1 ARG 11 1HH1 ARG 11 -7.701 12.287 7.730 103 2HH1 ARG 11 2HH1 ARG 11 -8.609 13.761 7.792 104 1HH2 ARG 11 1HH2 ARG 11 -5.803 15.797 7.858 105 2HH2 ARG 11 2HH2 ARG 11 -7.534 15.748 7.865 106 HA PRO 12 HA PRO 12 0.873 8.838 4.759 107 1HB PRO 12 2HB PRO 12 1.397 7.424 7.040 108 2HB PRO 12 1HB PRO 12 2.041 9.052 6.742 109 1HG PRO 12 2HG PRO 12 -0.236 8.201 8.444 110 2HG PRO 12 1HG PRO 12 0.946 9.493 8.694 111 1HD PRO 12 2HD PRO 12 -1.627 9.891 7.811 112 2HD PRO 12 1HD PRO 12 -0.278 11.009 7.519 113 HA PRO 13 HA PRO 13 -1.962 5.413 4.182 114 1HB PRO 13 2HB PRO 13 -0.564 4.098 2.241 115 2HB PRO 13 1HB PRO 13 -1.511 5.564 1.921 116 1HG PRO 13 2HG PRO 13 1.409 5.215 2.123 117 2HG PRO 13 1HG PRO 13 0.469 6.403 1.212 118 1HD PRO 13 2HD PRO 13 1.794 6.831 3.653 119 2HD PRO 13 1HD PRO 13 0.624 7.919 2.879 120 H SER 14 H SER 14 -1.495 2.840 3.906 121 HA SER 14 HA SER 14 0.866 1.844 5.308 122 1HB SER 14 2HB SER 14 -0.521 2.903 7.100 123 2HB SER 14 1HB SER 14 -1.838 1.809 6.685 124 HG SER 14 HG SER 14 -0.810 0.710 8.220 125 H ALA 15 H ALA 15 0.312 0.858 2.949 126 HA ALA 15 HA ALA 15 -0.131 -1.111 1.778 127 1HB ALA 15 1HB ALA 15 -1.218 -2.744 3.899 128 2HB ALA 15 2HB ALA 15 0.169 -1.845 4.514 129 3HB ALA 15 3HB ALA 15 0.347 -2.883 3.099 130 H PHE 16 H PHE 16 -2.661 -1.440 4.297 131 HA PHE 16 HA PHE 16 -4.806 -2.100 2.650 132 1HB PHE 16 2HB PHE 16 -4.562 -1.923 5.202 133 2HB PHE 16 1HB PHE 16 -4.998 -0.225 5.012 134 HD1 PHE 16 1HD PHE 16 -7.227 0.189 5.522 135 HD2 PHE 16 2HD PHE 16 -6.189 -3.453 3.494 136 HE1 PHE 16 1HE PHE 16 -9.625 -0.431 5.408 137 HE2 PHE 16 2HE PHE 16 -8.587 -4.073 3.380 138 HZ PHE 16 HZ PHE 16 -10.306 -2.563 4.338 139 H PHE 17 H PHE 17 -3.835 1.205 3.611 140 HA PHE 17 HA PHE 17 -5.884 2.629 2.229 141 1HB PHE 17 2HB PHE 17 -3.971 3.290 3.944 142 2HB PHE 17 1HB PHE 17 -3.084 3.681 2.472 143 HD1 PHE 17 1HD PHE 17 -4.283 5.185 0.731 144 HD2 PHE 17 2HD PHE 17 -5.527 4.815 4.825 145 HE1 PHE 17 1HE PHE 17 -5.530 7.321 0.545 146 HE2 PHE 17 2HE PHE 17 -6.774 6.951 4.639 147 HZ PHE 17 HZ PHE 17 -6.775 8.203 2.499 148 H LEU 18 H LEU 18 -2.784 1.307 1.116 149 HA LEU 18 HA LEU 18 -2.872 2.634 -1.483 150 1HB LEU 18 2HB LEU 18 -1.274 0.198 -0.630 151 2HB LEU 18 1HB LEU 18 -0.862 1.356 -1.887 152 HG LEU 18 HG LEU 18 -0.916 1.868 1.107 153 1HD1 LEU 18 1HD1 LEU 18 1.538 2.570 0.298 154 2HD1 LEU 18 2HD1 LEU 18 1.184 1.370 -0.946 155 3HD1 LEU 18 3HD1 LEU 18 1.141 0.914 0.756 156 1HD2 LEU 18 1HD2 LEU 18 -0.601 3.732 -1.259 157 2HD2 LEU 18 2HD2 LEU 18 0.072 4.128 0.323 158 3HD2 LEU 18 3HD2 LEU 18 -1.668 3.910 0.134 159 H PHE 19 H PHE 19 -3.901 -0.475 -0.161 160 HA PHE 19 HA PHE 19 -4.341 -1.752 -2.747 161 1HB PHE 19 2HB PHE 19 -3.826 -2.907 -0.595 162 2HB PHE 19 1HB PHE 19 -5.392 -2.389 0.029 163 HD1 PHE 19 1HD PHE 19 -3.633 -4.815 -1.991 164 HD2 PHE 19 2HD PHE 19 -7.502 -3.133 -1.179 165 HE1 PHE 19 1HE PHE 19 -4.711 -6.777 -3.061 166 HE2 PHE 19 2HE PHE 19 -8.579 -5.095 -2.249 167 HZ PHE 19 HZ PHE 19 -7.184 -6.916 -3.190 168 H CYS 20 H CYS 20 -6.577 -0.565 -0.205 169 HA CYS 20 HA CYS 20 -9.005 -0.937 -1.627 170 1HB CYS 20 2HB CYS 20 -8.709 -0.420 0.798 171 2HB CYS 20 1HB CYS 20 -8.263 1.231 0.366 172 HG CYS 20 HG CYS 20 -11.083 0.225 0.574 173 H SER 21 H SER 21 -7.013 2.031 -1.372 174 HA SER 21 HA SER 21 -8.583 3.694 -3.060 175 1HB SER 21 2HB SER 21 -6.525 5.030 -3.176 176 2HB SER 21 1HB SER 21 -6.735 4.391 -1.549 177 HG SER 21 HG SER 21 -5.047 3.135 -1.822 178 H GLU 22 H GLU 22 -6.343 1.114 -3.873 179 HA GLU 22 HA GLU 22 -6.280 1.943 -6.728 180 1HB GLU 22 2HB GLU 22 -4.751 0.147 -4.908 181 2HB GLU 22 1HB GLU 22 -4.716 -0.204 -6.634 182 1HG GLU 22 2HG GLU 22 -4.066 2.500 -5.423 183 2HG GLU 22 1HG GLU 22 -2.857 1.307 -5.902 184 H TYR 23 H TYR 23 -7.690 -0.504 -4.622 185 HA TYR 23 HA TYR 23 -8.441 -2.262 -6.863 186 1HB TYR 23 2HB TYR 23 -8.499 -2.241 -3.896 187 2HB TYR 23 1HB TYR 23 -9.765 -3.187 -4.676 188 HD1 TYR 23 1HD TYR 23 -6.066 -2.596 -4.807 189 HD2 TYR 23 2HD TYR 23 -9.298 -5.358 -5.423 190 HE1 TYR 23 1HE TYR 23 -4.433 -4.401 -5.282 191 HE2 TYR 23 2HE TYR 23 -7.666 -7.163 -5.898 192 HH TYR 23 HH TYR 23 -5.334 -7.698 -5.443 193 H ARG 24 H ARG 24 -10.025 0.124 -4.758 194 HA ARG 24 HA ARG 24 -12.720 -0.329 -5.172 195 1HB ARG 24 2HB ARG 24 -11.075 2.192 -5.029 196 2HB ARG 24 1HB ARG 24 -12.836 2.236 -5.115 197 1HG ARG 24 2HG ARG 24 -13.085 1.070 -3.070 198 2HG ARG 24 1HG ARG 24 -11.404 0.535 -3.078 199 1HD ARG 24 2HD ARG 24 -10.657 2.489 -2.157 200 2HD ARG 24 1HD ARG 24 -11.760 3.477 -3.137 201 HE ARG 24 HE ARG 24 -12.900 1.828 -0.932 202 1HH1 ARG 24 1HH2 ARG 24 -11.453 4.396 -0.102 203 2HH1 ARG 24 2HH2 ARG 24 -12.775 5.515 -0.051 204 1HH2 ARG 24 1HH1 ARG 24 -14.924 3.467 -1.843 205 2HH2 ARG 24 2HH1 ARG 24 -14.740 4.988 -1.037 206 HA PRO 25 HA PRO 25 -12.728 2.184 -9.330 207 1HB PRO 25 2HB PRO 25 -10.322 2.320 -10.653 208 2HB PRO 25 1HB PRO 25 -10.919 3.594 -9.568 209 1HG PRO 25 2HG PRO 25 -9.001 1.371 -8.992 210 2HG PRO 25 1HG PRO 25 -8.888 3.091 -8.568 211 1HD PRO 25 2HD PRO 25 -9.656 1.307 -6.761 212 2HD PRO 25 1HD PRO 25 -10.439 2.900 -6.835 213 H LYS 26 H LYS 26 -10.648 -0.574 -8.731 214 HA LYS 26 HA LYS 26 -10.933 -1.852 -11.322 215 1HB LYS 26 2HB LYS 26 -9.270 -2.249 -9.353 216 2HB LYS 26 1HB LYS 26 -10.574 -3.212 -8.653 217 1HG LYS 26 2HG LYS 26 -9.688 -3.681 -11.494 218 2HG LYS 26 1HG LYS 26 -8.816 -4.420 -10.150 219 1HD LYS 26 2HD LYS 26 -11.166 -5.191 -9.343 220 2HD LYS 26 1HD LYS 26 -11.676 -4.842 -10.995 221 1HE LYS 26 2HE LYS 26 -10.071 -6.419 -11.899 222 2HE LYS 26 1HE LYS 26 -9.346 -6.664 -10.297 223 1HZ LYS 26 1HZ LYS 26 -10.993 -8.388 -10.829 224 2HZ LYS 26 2HZ LYS 26 -12.190 -7.192 -10.982 225 3HZ LYS 26 3HZ LYS 26 -11.452 -7.472 -9.478 226 H ILE 27 H ILE 27 -12.550 -2.185 -8.170 227 HA ILE 27 HA ILE 27 -14.433 -4.204 -8.788 228 HB ILE 27 HB ILE 27 -14.761 -1.745 -7.025 229 1HG1 ILE 27 2HG1 ILE 27 -12.716 -2.848 -6.357 230 2HG1 ILE 27 1HG1 ILE 27 -13.955 -3.263 -5.187 231 1HG2 ILE 27 1HG2 ILE 27 -16.847 -2.966 -7.360 232 2HG2 ILE 27 2HG2 ILE 27 -16.267 -3.202 -5.711 233 3HG2 ILE 27 3HG2 ILE 27 -16.058 -4.478 -6.910 234 1HD1 ILE 27 1HD1 ILE 27 -12.960 -5.332 -5.618 235 2HD1 ILE 27 2HD1 ILE 27 -12.744 -4.979 -7.333 236 3HD1 ILE 27 3HD1 ILE 27 -14.350 -5.345 -6.703 237 H LYS 28 H LYS 28 -14.429 -0.766 -9.514 238 HA LYS 28 HA LYS 28 -17.247 -0.591 -10.162 239 1HB LYS 28 2HB LYS 28 -15.170 1.295 -11.266 240 2HB LYS 28 1HB LYS 28 -16.787 1.648 -10.674 241 1HG LYS 28 2HG LYS 28 -14.267 1.175 -9.123 242 2HG LYS 28 1HG LYS 28 -15.344 2.547 -9.038 243 1HD LYS 28 2HD LYS 28 -15.870 -0.243 -7.948 244 2HD LYS 28 1HD LYS 28 -15.595 1.224 -7.018 245 1HE LYS 28 2HE LYS 28 -17.885 1.029 -8.994 246 2HE LYS 28 1HE LYS 28 -18.055 0.517 -7.304 247 1HZ LYS 28 1HZ LYS 28 -17.161 3.182 -8.269 248 2HZ LYS 28 2HZ LYS 28 -17.130 2.692 -6.643 249 3HZ LYS 28 3HZ LYS 28 -18.612 2.835 -7.462 250 H SER 29 H SER 29 -14.307 -1.169 -12.060 251 HA SER 29 HA SER 29 -15.533 -0.975 -14.662 252 1HB SER 29 2HB SER 29 -13.088 -0.889 -14.115 253 2HB SER 29 1HB SER 29 -13.148 -2.607 -13.728 254 HG SER 29 HG SER 29 -13.315 -3.073 -15.798 255 H GLU 30 H GLU 30 -15.629 -3.437 -12.199 256 HA GLU 30 HA GLU 30 -16.805 -5.374 -14.163 257 1HB GLU 30 2HB GLU 30 -15.010 -5.586 -11.774 258 2HB GLU 30 1HB GLU 30 -16.069 -6.943 -12.149 259 1HG GLU 30 2HG GLU 30 -15.103 -6.464 -14.617 260 2HG GLU 30 1HG GLU 30 -13.737 -5.887 -13.664 261 H HIS 31 H HIS 31 -17.480 -3.421 -11.406 262 HA HIS 31 HA HIS 31 -20.061 -4.894 -11.027 263 1HB HIS 31 2HB HIS 31 -18.354 -3.671 -8.829 264 2HB HIS 31 1HB HIS 31 -19.843 -4.583 -8.616 265 HD1 HIS 31 1HD HIS 31 -16.231 -4.998 -8.843 266 HD2 HIS 31 2HD HIS 31 -19.557 -7.413 -9.518 267 HE1 HIS 31 1HE HIS 31 -15.381 -7.380 -8.900 268 HA PRO 32 HA PRO 32 -20.924 -0.480 -11.810 269 1HB PRO 32 2HB PRO 32 -23.287 -0.894 -13.125 270 2HB PRO 32 1HB PRO 32 -21.710 -0.971 -13.922 271 1HG PRO 32 2HG PRO 32 -23.493 -3.168 -13.062 272 2HG PRO 32 1HG PRO 32 -22.395 -3.076 -14.448 273 1HD PRO 32 2HD PRO 32 -21.877 -4.436 -12.100 274 2HD PRO 32 1HD PRO 32 -20.649 -3.903 -13.267 275 H GLY 33 H GLY 33 -23.058 -3.037 -10.636 276 1HA GLY 33 2HA GLY 33 -24.912 -1.219 -9.321 277 2HA GLY 33 1HA GLY 33 -24.852 -2.969 -9.121 278 H LEU 34 H LEU 34 -21.854 -2.654 -8.509 279 HA LEU 34 HA LEU 34 -21.845 -2.875 -5.721 280 1HB LEU 34 2HB LEU 34 -20.000 -2.661 -7.882 281 2HB LEU 34 1HB LEU 34 -19.451 -1.545 -6.641 282 HG LEU 34 HG LEU 34 -18.498 -3.848 -6.403 283 1HD1 LEU 34 1HD1 LEU 34 -18.498 -3.696 -4.119 284 2HD1 LEU 34 2HD1 LEU 34 -20.247 -3.492 -4.023 285 3HD1 LEU 34 3HD1 LEU 34 -19.224 -2.132 -4.484 286 1HD2 LEU 34 1HD2 LEU 34 -21.020 -4.903 -5.267 287 2HD2 LEU 34 2HD2 LEU 34 -19.787 -5.724 -6.221 288 3HD2 LEU 34 3HD2 LEU 34 -21.011 -4.739 -7.021 289 H SER 35 H SER 35 -23.226 -1.248 -4.768 290 HA SER 35 HA SER 35 -22.708 1.608 -5.116 291 1HB SER 35 2HB SER 35 -24.391 1.723 -3.241 292 2HB SER 35 1HB SER 35 -24.931 0.756 -4.609 293 HG SER 35 HG SER 35 -25.301 -0.477 -2.833 294 H ILE 36 H ILE 36 -22.114 2.990 -3.172 295 HA ILE 36 HA ILE 36 -19.595 2.370 -2.082 296 HB ILE 36 HB ILE 36 -21.846 4.212 -1.246 297 1HG1 ILE 36 2HG1 ILE 36 -19.768 5.783 -1.922 298 2HG1 ILE 36 1HG1 ILE 36 -19.336 4.351 -2.855 299 1HG2 ILE 36 1HG2 ILE 36 -20.007 5.352 0.163 300 2HG2 ILE 36 2HG2 ILE 36 -19.144 3.816 0.063 301 3HG2 ILE 36 3HG2 ILE 36 -20.726 3.889 0.836 302 1HD1 ILE 36 1HD1 ILE 36 -22.155 5.368 -2.975 303 2HD1 ILE 36 2HD1 ILE 36 -21.235 4.480 -4.190 304 3HD1 ILE 36 3HD1 ILE 36 -20.906 6.190 -3.909 305 H GLY 37 H GLY 37 -22.783 1.410 -0.960 306 1HA GLY 37 2HA GLY 37 -22.107 0.673 1.719 307 2HA GLY 37 1HA GLY 37 -23.441 -0.016 0.789 308 H ASP 38 H ASP 38 -22.502 -1.481 -1.126 309 HA ASP 38 HA ASP 38 -21.060 -3.640 0.186 310 1HB ASP 38 2HB ASP 38 -22.892 -4.012 -1.384 311 2HB ASP 38 1HB ASP 38 -21.983 -3.215 -2.670 312 H THR 39 H THR 39 -20.157 -0.995 -1.963 313 HA THR 39 HA THR 39 -17.768 -1.949 -3.126 314 HB THR 39 HB THR 39 -18.499 0.766 -1.995 315 HG1 THR 39 1HG THR 39 -18.530 -0.241 -4.642 316 1HG2 THR 39 1HG2 THR 39 -16.152 -0.151 -3.633 317 2HG2 THR 39 2HG2 THR 39 -16.184 0.970 -2.272 318 3HG2 THR 39 3HG2 THR 39 -16.791 1.479 -3.848 319 H ALA 40 H ALA 40 -18.218 -0.486 0.107 320 HA ALA 40 HA ALA 40 -15.422 -0.867 0.887 321 1HB ALA 40 1HB ALA 40 -16.486 -0.277 3.157 322 2HB ALA 40 2HB ALA 40 -18.016 -0.150 2.289 323 3HB ALA 40 3HB ALA 40 -16.679 0.927 1.882 324 H LYS 41 H LYS 41 -18.537 -2.407 1.543 325 HA LYS 41 HA LYS 41 -17.728 -4.468 3.321 326 1HB LYS 41 2HB LYS 41 -20.008 -3.638 1.830 327 2HB LYS 41 1HB LYS 41 -19.774 -5.343 1.465 328 1HG LYS 41 2HG LYS 41 -20.807 -5.748 3.396 329 2HG LYS 41 1HG LYS 41 -19.372 -5.189 4.222 330 1HD LYS 41 2HD LYS 41 -21.792 -3.526 3.446 331 2HD LYS 41 1HD LYS 41 -21.370 -4.046 5.079 332 1HE LYS 41 2HE LYS 41 -19.391 -2.522 3.447 333 2HE LYS 41 1HE LYS 41 -20.663 -1.644 4.315 334 1HZ LYS 41 1HZ LYS 41 -18.823 -3.656 5.510 335 2HZ LYS 41 2HZ LYS 41 -20.040 -2.807 6.336 336 3HZ LYS 41 3HZ LYS 41 -18.694 -1.978 5.717 337 H LYS 42 H LYS 42 -17.467 -4.203 -0.190 338 HA LYS 42 HA LYS 42 -16.658 -7.008 -0.556 339 1HB LYS 42 2HB LYS 42 -18.074 -5.389 -2.062 340 2HB LYS 42 1HB LYS 42 -16.505 -4.766 -2.566 341 1HG LYS 42 2HG LYS 42 -17.278 -6.516 -4.106 342 2HG LYS 42 1HG LYS 42 -15.822 -7.039 -3.255 343 1HD LYS 42 2HD LYS 42 -16.924 -8.683 -2.112 344 2HD LYS 42 1HD LYS 42 -18.379 -7.707 -1.912 345 1HE LYS 42 2HE LYS 42 -19.333 -8.521 -3.822 346 2HE LYS 42 1HE LYS 42 -17.793 -8.523 -4.704 347 1HZ LYS 42 1HZ LYS 42 -18.513 -10.422 -2.533 348 2HZ LYS 42 2HZ LYS 42 -17.081 -10.436 -3.447 349 3HZ LYS 42 3HZ LYS 42 -18.569 -10.786 -4.188 350 H LEU 43 H LEU 43 -15.064 -4.222 0.498 351 HA LEU 43 HA LEU 43 -12.517 -4.742 -0.918 352 1HB LEU 43 2HB LEU 43 -13.692 -2.689 0.919 353 2HB LEU 43 1HB LEU 43 -11.936 -2.815 0.833 354 HG LEU 43 HG LEU 43 -13.591 -2.669 -1.679 355 1HD1 LEU 43 1HD1 LEU 43 -12.983 -0.513 0.279 356 2HD1 LEU 43 2HD1 LEU 43 -14.312 -0.644 -0.875 357 3HD1 LEU 43 3HD1 LEU 43 -12.717 -0.128 -1.421 358 1HD2 LEU 43 1HD2 LEU 43 -11.294 -3.278 -2.021 359 2HD2 LEU 43 2HD2 LEU 43 -10.733 -2.041 -0.896 360 3HD2 LEU 43 3HD2 LEU 43 -11.421 -1.572 -2.450 361 H GLY 44 H GLY 44 -13.887 -4.876 2.367 362 1HA GLY 44 2HA GLY 44 -11.486 -5.909 3.609 363 2HA GLY 44 1HA GLY 44 -13.102 -5.923 4.322 364 H GLU 45 H GLU 45 -14.304 -7.320 2.039 365 HA GLU 45 HA GLU 45 -14.059 -10.031 2.876 366 1HB GLU 45 2HB GLU 45 -15.104 -8.568 0.463 367 2HB GLU 45 1HB GLU 45 -15.052 -10.331 0.441 368 1HG GLU 45 2HG GLU 45 -16.249 -8.887 2.794 369 2HG GLU 45 1HG GLU 45 -17.205 -9.151 1.335 370 H MET 46 H MET 46 -12.747 -8.483 -0.080 371 HA MET 46 HA MET 46 -11.150 -10.737 -0.896 372 1HB MET 46 2HB MET 46 -11.118 -7.759 -1.451 373 2HB MET 46 1HB MET 46 -10.003 -8.871 -2.245 374 1HG MET 46 2HG MET 46 -11.939 -10.189 -3.074 375 2HG MET 46 1HG MET 46 -13.031 -9.019 -2.332 376 1HE MET 46 1HE MET 46 -13.578 -8.189 -5.970 377 2HE MET 46 2HE MET 46 -14.039 -9.162 -4.576 378 3HE MET 46 3HE MET 46 -12.826 -9.768 -5.702 379 H TRP 47 H TRP 47 -10.209 -7.637 0.642 380 HA TRP 47 HA TRP 47 -7.484 -8.134 1.103 381 1HB TRP 47 2HB TRP 47 -8.777 -6.030 1.521 382 2HB TRP 47 1HB TRP 47 -9.454 -6.775 2.970 383 HD1 TRP 47 HD TRP 47 -8.176 -6.279 5.099 384 HE1 TRP 47 1HE TRP 47 -5.758 -5.613 5.697 385 HE3 TRP 47 3HE TRP 47 -6.062 -6.368 0.451 386 HZ2 TRP 47 2HZ TRP 47 -3.257 -5.175 4.377 387 HZ3 TRP 47 3HZ TRP 47 -3.663 -5.823 0.150 388 HH2 TRP 47 HH TRP 47 -2.259 -5.227 2.106 389 H SER 48 H SER 48 -10.110 -8.759 3.477 390 HA SER 48 HA SER 48 -8.496 -10.130 5.389 391 1HB SER 48 2HB SER 48 -10.765 -9.185 5.760 392 2HB SER 48 1HB SER 48 -11.443 -10.432 4.717 393 HG SER 48 HG SER 48 -10.319 -10.626 7.280 394 H GLU 49 H GLU 49 -10.223 -11.278 2.517 395 HA GLU 49 HA GLU 49 -10.052 -14.094 2.988 396 1HB GLU 49 2HB GLU 49 -10.451 -12.222 0.715 397 2HB GLU 49 1HB GLU 49 -9.937 -13.851 0.281 398 1HG GLU 49 2HG GLU 49 -11.801 -14.808 1.552 399 2HG GLU 49 1HG GLU 49 -12.302 -13.195 2.062 400 H GLN 50 H GLN 50 -7.785 -11.816 1.454 401 HA GLN 50 HA GLN 50 -5.861 -13.657 0.470 402 1HB GLN 50 2HB GLN 50 -5.637 -10.852 1.604 403 2HB GLN 50 1HB GLN 50 -4.329 -11.658 0.737 404 1HG GLN 50 2HG GLN 50 -7.058 -11.505 -0.510 405 2HG GLN 50 1HG GLN 50 -5.986 -10.106 -0.585 406 1HE2 GLN 50 1HE2 GLN 50 -6.595 -13.271 -1.904 407 2HE2 GLN 50 2HE2 GLN 50 -5.256 -13.318 -2.946 408 H SER 51 H SER 51 -3.827 -14.336 1.400 409 HA SER 51 HA SER 51 -3.984 -14.873 4.314 410 1HB SER 51 2HB SER 51 -3.530 -16.625 2.557 411 2HB SER 51 1HB SER 51 -2.018 -15.799 2.189 412 HG SER 51 HG SER 51 -2.554 -17.541 4.144 413 H ALA 52 H ALA 52 -1.009 -15.114 4.478 414 HA ALA 52 HA ALA 52 -0.420 -12.287 5.086 415 1HB ALA 52 1HB ALA 52 1.060 -14.909 5.458 416 2HB ALA 52 2HB ALA 52 0.138 -14.036 6.682 417 3HB ALA 52 3HB ALA 52 1.642 -13.356 6.059 418 H LYS 53 H LYS 53 -0.675 -12.518 2.331 419 HA LYS 53 HA LYS 53 2.166 -12.340 1.388 420 1HB LYS 53 2HB LYS 53 -0.204 -13.852 0.410 421 2HB LYS 53 1HB LYS 53 0.808 -13.106 -0.827 422 1HG LYS 53 2HG LYS 53 1.963 -15.081 -0.599 423 2HG LYS 53 1HG LYS 53 2.746 -14.175 0.695 424 1HD LYS 53 2HD LYS 53 0.820 -15.086 2.190 425 2HD LYS 53 1HD LYS 53 0.594 -16.271 0.902 426 1HE LYS 53 2HE LYS 53 2.128 -17.358 2.329 427 2HE LYS 53 1HE LYS 53 3.202 -16.602 1.135 428 1HZ LYS 53 1HZ LYS 53 3.392 -14.670 2.570 429 2HZ LYS 53 2HZ LYS 53 3.895 -16.065 3.399 430 3HZ LYS 53 3HZ LYS 53 2.369 -15.388 3.717 431 H ASP 54 H ASP 54 -1.219 -11.355 0.807 432 HA ASP 54 HA ASP 54 -0.731 -9.346 -1.148 433 1HB ASP 54 2HB ASP 54 -2.903 -10.447 -0.146 434 2HB ASP 54 1HB ASP 54 -2.846 -9.084 0.974 435 H LYS 55 H LYS 55 -0.401 -9.264 2.379 436 HA LYS 55 HA LYS 55 0.039 -6.330 2.358 437 1HB LYS 55 2HB LYS 55 -1.380 -7.492 4.050 438 2HB LYS 55 1HB LYS 55 0.045 -8.371 4.603 439 1HG LYS 55 2HG LYS 55 1.034 -6.463 5.509 440 2HG LYS 55 1HG LYS 55 0.125 -5.372 4.462 441 1HD LYS 55 2HD LYS 55 -1.965 -6.285 5.729 442 2HD LYS 55 1HD LYS 55 -0.797 -6.808 6.943 443 1HE LYS 55 2HE LYS 55 0.093 -4.432 6.985 444 2HE LYS 55 1HE LYS 55 -1.294 -3.975 5.977 445 1HZ LYS 55 1HZ LYS 55 -1.827 -3.748 8.329 446 2HZ LYS 55 2HZ LYS 55 -1.444 -5.382 8.592 447 3HZ LYS 55 3HZ LYS 55 -2.771 -4.964 7.616 448 H GLN 56 H GLN 56 2.020 -8.452 1.233 449 HA GLN 56 HA GLN 56 4.338 -7.931 3.023 450 1HB GLN 56 2HB GLN 56 3.558 -9.954 0.993 451 2HB GLN 56 1HB GLN 56 5.277 -9.598 1.121 452 1HG GLN 56 2HG GLN 56 4.711 -11.426 2.631 453 2HG GLN 56 1HG GLN 56 5.136 -10.001 3.579 454 1HE2 GLN 56 1HE2 GLN 56 3.803 -10.565 5.416 455 2HE2 GLN 56 2HE2 GLN 56 2.107 -10.574 5.333 456 HA PRO 57 HA PRO 57 6.062 -6.170 -1.011 457 1HB PRO 57 2HB PRO 57 4.622 -6.222 -3.321 458 2HB PRO 57 1HB PRO 57 5.671 -7.562 -2.812 459 1HG PRO 57 2HG PRO 57 2.727 -7.298 -2.650 460 2HG PRO 57 1HG PRO 57 3.713 -8.727 -2.982 461 1HD PRO 57 2HD PRO 57 2.531 -8.164 -0.568 462 2HD PRO 57 1HD PRO 57 3.944 -9.218 -0.778 463 H TYR 58 H TYR 58 2.525 -5.803 -0.894 464 HA TYR 58 HA TYR 58 2.562 -3.014 -1.761 465 1HB TYR 58 2HB TYR 58 0.619 -5.094 -0.909 466 2HB TYR 58 1HB TYR 58 0.105 -3.421 -0.702 467 HD1 TYR 58 1HD TYR 58 1.056 -6.018 -3.126 468 HD2 TYR 58 2HD TYR 58 -0.154 -1.927 -2.627 469 HE1 TYR 58 1HE TYR 58 0.582 -5.862 -5.556 470 HE2 TYR 58 2HE TYR 58 -0.626 -1.771 -5.056 471 HH TYR 58 HH TYR 58 0.512 -3.547 -7.268 472 H GLU 59 H GLU 59 3.597 -4.299 1.133 473 HA GLU 59 HA GLU 59 2.355 -2.185 2.817 474 1HB GLU 59 2HB GLU 59 3.131 -3.537 4.661 475 2HB GLU 59 1HB GLU 59 2.443 -4.625 3.464 476 1HG GLU 59 2HG GLU 59 4.391 -5.773 3.546 477 2HG GLU 59 1HG GLU 59 5.125 -4.411 2.706 478 H GLN 60 H GLN 60 5.338 -2.889 1.168 479 HA GLN 60 HA GLN 60 7.048 -1.241 2.863 480 1HB GLN 60 2HB GLN 60 8.696 -1.703 1.111 481 2HB GLN 60 1HB GLN 60 7.803 -3.177 1.476 482 1HG GLN 60 2HG GLN 60 6.235 -2.304 -0.491 483 2HG GLN 60 1HG GLN 60 7.701 -1.453 -0.970 484 1HE2 GLN 60 1HE2 GLN 60 6.623 -3.582 -2.566 485 2HE2 GLN 60 2HE2 GLN 60 7.711 -4.885 -2.520 486 H LYS 61 H LYS 61 4.929 -0.685 0.135 487 HA LYS 61 HA LYS 61 6.015 1.738 -0.912 488 1HB LYS 61 2HB LYS 61 4.234 0.390 -1.959 489 2HB LYS 61 1HB LYS 61 3.148 0.770 -0.626 490 1HG LYS 61 2HG LYS 61 2.983 3.044 -1.252 491 2HG LYS 61 1HG LYS 61 4.416 2.954 -2.276 492 1HD LYS 61 2HD LYS 61 3.029 1.166 -3.601 493 2HD LYS 61 1HD LYS 61 1.644 1.919 -2.809 494 1HE LYS 61 2HE LYS 61 2.210 4.092 -3.749 495 2HE LYS 61 1HE LYS 61 3.718 3.444 -4.426 496 1HZ LYS 61 1HZ LYS 61 1.932 3.435 -6.076 497 2HZ LYS 61 2HZ LYS 61 0.986 2.456 -5.058 498 3HZ LYS 61 3HZ LYS 61 2.437 1.858 -5.709 499 H ALA 62 H ALA 62 3.789 1.138 1.796 500 HA ALA 62 HA ALA 62 3.290 3.919 2.418 501 1HB ALA 62 1HB ALA 62 2.536 2.848 4.608 502 2HB ALA 62 2HB ALA 62 3.080 1.309 3.942 503 3HB ALA 62 3HB ALA 62 1.779 2.201 3.153 504 H ALA 63 H ALA 63 6.090 1.969 2.833 505 HA ALA 63 HA ALA 63 7.052 3.355 5.253 506 1HB ALA 63 1HB ALA 63 8.562 1.516 3.387 507 2HB ALA 63 2HB ALA 63 7.401 0.898 4.562 508 3HB ALA 63 3HB ALA 63 8.830 1.773 5.112 509 H LYS 64 H LYS 64 6.712 4.393 2.158 510 HA LYS 64 HA LYS 64 9.386 5.720 1.997 511 1HB LYS 64 2HB LYS 64 7.166 5.059 0.050 512 2HB LYS 64 1HB LYS 64 8.437 6.207 -0.366 513 1HG LYS 64 2HG LYS 64 8.993 3.397 0.614 514 2HG LYS 64 1HG LYS 64 8.893 3.825 -1.094 515 1HD LYS 64 2HD LYS 64 10.670 5.573 -0.666 516 2HD LYS 64 1HD LYS 64 10.862 4.888 0.947 517 1HE LYS 64 2HE LYS 64 11.811 2.919 0.149 518 2HE LYS 64 1HE LYS 64 10.985 3.039 -1.418 519 1HZ LYS 64 1HZ LYS 64 12.328 4.971 -1.950 520 2HZ LYS 64 2HZ LYS 64 13.330 3.642 -1.611 521 3HZ LYS 64 3HZ LYS 64 13.121 4.868 -0.455 522 H LEU 65 H LEU 65 5.902 6.232 2.091 523 HA LEU 65 HA LEU 65 6.041 9.140 1.845 524 1HB LEU 65 2HB LEU 65 4.022 6.993 2.262 525 2HB LEU 65 1HB LEU 65 3.573 8.610 2.801 526 HG LEU 65 HG LEU 65 4.428 9.384 0.473 527 1HD1 LEU 65 1HD1 LEU 65 5.521 7.386 -0.272 528 2HD1 LEU 65 2HD1 LEU 65 4.060 7.541 -1.247 529 3HD1 LEU 65 3HD1 LEU 65 4.107 6.399 0.095 530 1HD2 LEU 65 1HD2 LEU 65 1.916 7.710 0.782 531 2HD2 LEU 65 2HD2 LEU 65 2.211 8.842 -0.537 532 3HD2 LEU 65 3HD2 LEU 65 2.067 9.434 1.118 533 H LYS 66 H LYS 66 6.949 7.119 4.364 534 HA LYS 66 HA LYS 66 5.845 8.750 6.565 535 1HB LYS 66 2HB LYS 66 6.092 6.235 6.584 536 2HB LYS 66 1HB LYS 66 7.841 6.463 6.570 537 1HG LYS 66 2HG LYS 66 7.750 7.676 8.676 538 2HG LYS 66 1HG LYS 66 5.988 7.616 8.673 539 1HD LYS 66 2HD LYS 66 5.949 5.280 9.041 540 2HD LYS 66 1HD LYS 66 7.640 5.094 8.577 541 1HE LYS 66 2HE LYS 66 8.140 6.653 10.609 542 2HE LYS 66 1HE LYS 66 6.507 6.204 11.141 543 1HZ LYS 66 1HZ LYS 66 7.099 3.871 10.837 544 2HZ LYS 66 2HZ LYS 66 8.129 4.615 11.965 545 3HZ LYS 66 3HZ LYS 66 8.673 4.313 10.384 546 H GLU 67 H GLU 67 8.799 8.389 4.694 547 HA GLU 67 HA GLU 67 10.467 9.911 6.576 548 1HB GLU 67 2HB GLU 67 10.704 8.505 3.956 549 2HB GLU 67 1HB GLU 67 11.885 9.773 4.288 550 1HG GLU 67 2HG GLU 67 12.602 8.691 6.312 551 2HG GLU 67 1HG GLU 67 11.266 7.543 6.239 552 H LYS 68 H LYS 68 8.252 10.654 4.018 553 HA LYS 68 HA LYS 68 9.468 13.337 3.554 554 1HB LYS 68 2HB LYS 68 7.339 11.663 2.194 555 2HB LYS 68 1HB LYS 68 7.681 13.329 1.725 556 1HG LYS 68 2HG LYS 68 10.135 12.583 1.513 557 2HG LYS 68 1HG LYS 68 9.512 10.934 1.572 558 1HD LYS 68 2HD LYS 68 9.602 11.440 -0.740 559 2HD LYS 68 1HD LYS 68 7.907 11.668 -0.309 560 1HE LYS 68 2HE LYS 68 8.072 14.016 -0.375 561 2HE LYS 68 1HE LYS 68 9.837 13.987 -0.189 562 1HZ LYS 68 1HZ LYS 68 8.336 12.913 -2.520 563 2HZ LYS 68 2HZ LYS 68 10.025 12.908 -2.334 564 3HZ LYS 68 3HZ LYS 68 9.190 14.378 -2.503 565 H TYR 69 H TYR 69 6.694 11.721 4.982 566 HA TYR 69 HA TYR 69 5.062 14.124 5.283 567 1HB TYR 69 2HB TYR 69 4.137 11.841 5.108 568 2HB TYR 69 1HB TYR 69 4.993 11.371 6.574 569 HD1 TYR 69 1HD TYR 69 4.441 12.587 8.752 570 HD2 TYR 69 2HD TYR 69 2.016 12.900 5.221 571 HE1 TYR 69 1HE TYR 69 2.548 13.409 10.127 572 HE2 TYR 69 2HE TYR 69 0.123 13.725 6.596 573 HH TYR 69 HH TYR 69 0.471 14.828 9.727 574 H GLU 70 H GLU 70 6.926 12.063 7.542 575 HA GLU 70 HA GLU 70 6.598 13.822 9.815 576 1HB GLU 70 2HB GLU 70 8.414 11.519 9.088 577 2HB GLU 70 1HB GLU 70 8.532 12.330 10.651 578 1HG GLU 70 2HG GLU 70 6.021 11.922 10.897 579 2HG GLU 70 1HG GLU 70 6.159 10.844 9.508 580 H LYS 71 H LYS 71 8.531 14.214 7.026 581 HA LYS 71 HA LYS 71 10.539 15.850 8.527 582 1HB LYS 71 2HB LYS 71 10.498 14.290 5.957 583 2HB LYS 71 1HB LYS 71 11.650 15.612 6.147 584 1HG LYS 71 2HG LYS 71 12.278 14.511 8.388 585 2HG LYS 71 1HG LYS 71 11.405 13.096 7.798 586 1HD LYS 71 2HD LYS 71 12.851 13.286 5.684 587 2HD LYS 71 1HD LYS 71 13.856 14.402 6.608 588 1HE LYS 71 2HE LYS 71 13.886 12.519 8.419 589 2HE LYS 71 1HE LYS 71 13.384 11.462 7.084 590 1HZ LYS 71 1HZ LYS 71 15.808 11.630 7.222 591 2HZ LYS 71 2HZ LYS 71 15.709 13.316 7.029 592 3HZ LYS 71 3HZ LYS 71 15.227 12.283 5.769 593 H ASP 72 H ASP 72 8.193 15.865 5.871 594 HA ASP 72 HA ASP 72 8.789 18.659 5.148 595 1HB ASP 72 2HB ASP 72 8.177 16.788 3.561 596 2HB ASP 72 1HB ASP 72 6.555 16.815 4.254 597 H ILE 73 H ILE 73 6.372 16.876 7.021 598 HA ILE 73 HA ILE 73 4.408 18.973 7.173 599 HB ILE 73 HB ILE 73 4.196 16.474 7.675 600 1HG1 ILE 73 2HG1 ILE 73 2.707 17.053 9.799 601 2HG1 ILE 73 1HG1 ILE 73 3.083 18.709 9.321 602 1HG2 ILE 73 1HG2 ILE 73 4.797 15.624 9.806 603 2HG2 ILE 73 2HG2 ILE 73 5.100 17.236 10.455 604 3HG2 ILE 73 3HG2 ILE 73 6.213 16.536 9.280 605 1HD1 ILE 73 1HD1 ILE 73 2.222 18.292 7.071 606 2HD1 ILE 73 2HD1 ILE 73 0.988 17.877 8.260 607 3HD1 ILE 73 3HD1 ILE 73 1.920 16.603 7.475 608 H ALA 74 H ALA 74 7.431 18.439 8.848 609 HA ALA 74 HA ALA 74 7.071 19.900 11.244 610 1HB ALA 74 1HB ALA 74 9.437 19.622 9.365 611 2HB ALA 74 2HB ALA 74 9.056 18.592 10.745 612 3HB ALA 74 3HB ALA 74 9.558 20.264 11.004 613 H ALA 75 H ALA 75 7.527 21.035 7.940 614 HA ALA 75 HA ALA 75 7.911 23.845 8.728 615 1HB ALA 75 1HB ALA 75 8.033 24.162 6.307 616 2HB ALA 75 2HB ALA 75 7.364 22.554 6.037 617 3HB ALA 75 3HB ALA 75 8.968 22.733 6.747 618 H TYR 76 H TYR 76 5.216 21.757 8.319 619 HA TYR 76 HA TYR 76 3.375 24.015 7.661 620 1HB TYR 76 2HB TYR 76 3.468 21.822 6.347 621 2HB TYR 76 1HB TYR 76 2.820 21.037 7.789 622 HD1 TYR 76 1HD TYR 76 2.158 23.825 5.384 623 HD2 TYR 76 2HD TYR 76 0.502 21.056 8.220 624 HE1 TYR 76 1HE TYR 76 -0.130 24.530 4.738 625 HE2 TYR 76 2HE TYR 76 -1.786 21.762 7.574 626 HH TYR 76 HH TYR 76 -2.621 23.111 4.955 627 H ARG 77 H ARG 77 4.674 23.396 10.353 628 HA ARG 77 HA ARG 77 2.141 23.093 11.936 629 1HB ARG 77 2HB ARG 77 4.854 21.835 12.159 630 2HB ARG 77 1HB ARG 77 3.916 22.095 13.631 631 1HG ARG 77 2HG ARG 77 1.965 20.988 12.302 632 2HG ARG 77 1HG ARG 77 3.243 20.383 11.248 633 1HD ARG 77 2HD ARG 77 4.076 18.956 12.856 634 2HD ARG 77 1HD ARG 77 3.652 20.049 14.188 635 HE ARG 77 HE ARG 77 1.202 19.411 13.556 636 1HH1 ARG 77 1HH1 ARG 77 3.491 17.438 14.799 637 2HH1 ARG 77 2HH1 ARG 77 2.821 15.942 14.238 638 1HH2 ARG 77 1HH2 ARG 77 0.526 17.456 12.126 639 2HH2 ARG 77 2HH2 ARG 77 1.142 15.953 12.725 640 H ALA 78 H ALA 78 5.350 24.618 11.713 641 HA ALA 78 HA ALA 78 6.246 26.510 12.800 642 1HB ALA 78 1HB ALA 78 4.073 27.274 11.630 643 2HB ALA 78 2HB ALA 78 4.713 28.325 12.893 644 3HB ALA 78 3HB ALA 78 3.351 27.260 13.239 645 H LYS 79 H LYS 79 6.784 24.850 14.588 646 HA LYS 79 HA LYS 79 5.200 25.327 17.082 647 1HB LYS 79 2HB LYS 79 5.993 23.025 15.887 648 2HB LYS 79 1HB LYS 79 7.378 23.308 16.944 649 1HG LYS 79 2HG LYS 79 6.058 22.213 18.464 650 2HG LYS 79 1HG LYS 79 5.380 23.825 18.687 651 1HD LYS 79 2HD LYS 79 4.276 22.008 16.558 652 2HD LYS 79 1HD LYS 79 3.755 21.827 18.234 653 1HE LYS 79 2HE LYS 79 3.223 24.321 18.225 654 2HE LYS 79 1HE LYS 79 3.470 24.276 16.467 655 1HZ LYS 79 1HZ LYS 79 1.891 22.408 16.371 656 2HZ LYS 79 2HZ LYS 79 1.166 23.832 16.948 657 3HZ LYS 79 3HZ LYS 79 1.583 22.590 18.029 Start of MODEL 24 1 1H MET 1 1HT MET 1 -8.813 16.613 -4.421 2 2H MET 1 2HT MET 1 -7.725 17.885 -4.715 3 3H MET 1 3HT MET 1 -8.182 16.844 -5.979 4 HA MET 1 HA MET 1 -9.358 18.943 -6.194 5 1HB MET 1 2HB MET 1 -10.276 16.500 -6.554 6 2HB MET 1 1HB MET 1 -11.306 16.890 -5.176 7 1HG MET 1 2HG MET 1 -12.567 17.531 -7.090 8 2HG MET 1 1HG MET 1 -11.918 19.037 -6.440 9 1HE MET 1 1HE MET 1 -13.115 18.998 -8.926 10 2HE MET 1 2HE MET 1 -12.088 19.303 -10.325 11 3HE MET 1 3HE MET 1 -12.063 20.419 -8.962 12 H LYS 2 H LYS 2 -10.489 17.215 -3.258 13 HA LYS 2 HA LYS 2 -10.753 19.862 -1.886 14 1HB LYS 2 2HB LYS 2 -12.793 17.855 -2.633 15 2HB LYS 2 1HB LYS 2 -12.904 18.443 -0.973 16 1HG LYS 2 2HG LYS 2 -12.444 20.770 -2.400 17 2HG LYS 2 1HG LYS 2 -13.468 19.844 -3.493 18 1HD LYS 2 2HD LYS 2 -14.888 19.404 -1.317 19 2HD LYS 2 1HD LYS 2 -14.067 20.853 -0.736 20 1HE LYS 2 2HE LYS 2 -15.107 21.142 -3.473 21 2HE LYS 2 1HE LYS 2 -16.366 20.848 -2.259 22 1HZ LYS 2 1HZ LYS 2 -15.388 22.569 -0.870 23 2HZ LYS 2 2HZ LYS 2 -15.824 23.207 -2.383 24 3HZ LYS 2 3HZ LYS 2 -14.196 22.866 -2.040 25 H LYS 3 H LYS 3 -8.619 18.815 -1.032 26 HA LYS 3 HA LYS 3 -9.119 17.711 1.594 27 1HB LYS 3 2HB LYS 3 -9.446 15.782 -0.045 28 2HB LYS 3 1HB LYS 3 -7.725 15.915 -0.405 29 1HG LYS 3 2HG LYS 3 -7.159 15.495 1.928 30 2HG LYS 3 1HG LYS 3 -8.866 15.484 2.370 31 1HD LYS 3 2HD LYS 3 -7.785 13.592 0.286 32 2HD LYS 3 1HD LYS 3 -7.714 13.195 2.003 33 1HE LYS 3 2HE LYS 3 -10.105 13.276 2.217 34 2HE LYS 3 1HE LYS 3 -10.284 14.010 0.610 35 1HZ LYS 3 1HZ LYS 3 -9.132 11.328 1.176 36 2HZ LYS 3 2HZ LYS 3 -9.256 12.042 -0.360 37 3HZ LYS 3 3HZ LYS 3 -10.660 11.623 0.501 38 H LYS 4 H LYS 4 -6.637 17.874 -0.984 39 HA LYS 4 HA LYS 4 -4.915 19.577 0.605 40 1HB LYS 4 2HB LYS 4 -4.699 16.634 0.669 41 2HB LYS 4 1HB LYS 4 -3.175 17.461 0.353 42 1HG LYS 4 2HG LYS 4 -4.098 19.003 2.369 43 2HG LYS 4 1HG LYS 4 -4.865 17.474 2.800 44 1HD LYS 4 2HD LYS 4 -2.814 16.367 3.055 45 2HD LYS 4 1HD LYS 4 -1.948 17.542 2.066 46 1HE LYS 4 2HE LYS 4 -2.053 19.211 3.803 47 2HE LYS 4 1HE LYS 4 -3.180 18.224 4.756 48 1HZ LYS 4 1HZ LYS 4 -1.500 16.488 4.880 49 2HZ LYS 4 2HZ LYS 4 -0.907 17.936 5.541 50 3HZ LYS 4 3HZ LYS 4 -0.416 17.442 3.991 51 H ASP 5 H ASP 5 -2.477 19.053 -0.583 52 HA ASP 5 HA ASP 5 -3.052 19.401 -3.509 53 1HB ASP 5 2HB ASP 5 -1.525 20.897 -1.484 54 2HB ASP 5 1HB ASP 5 -0.613 20.602 -2.964 55 HA PRO 6 HA PRO 6 -0.150 16.206 -4.410 56 1HB PRO 6 2HB PRO 6 1.547 17.256 -6.285 57 2HB PRO 6 1HB PRO 6 -0.134 16.813 -6.642 58 1HG PRO 6 2HG PRO 6 1.035 19.494 -6.079 59 2HG PRO 6 1HG PRO 6 -0.196 19.026 -7.263 60 1HD PRO 6 2HD PRO 6 -0.798 20.224 -4.904 61 2HD PRO 6 1HD PRO 6 -1.895 19.088 -5.719 62 H ASN 7 H ASN 7 1.357 19.347 -3.769 63 HA ASN 7 HA ASN 7 3.960 18.237 -3.051 64 1HB ASN 7 2HB ASN 7 2.637 20.933 -2.609 65 2HB ASN 7 1HB ASN 7 4.350 20.604 -2.344 66 1HD2 ASN 7 1HD2 ASN 7 5.620 19.882 -4.304 67 2HD2 ASN 7 2HD2 ASN 7 5.114 20.393 -5.842 68 H ALA 8 H ALA 8 0.959 18.416 -1.390 69 HA ALA 8 HA ALA 8 2.260 18.463 1.291 70 1HB ALA 8 1HB ALA 8 -0.608 18.615 0.307 71 2HB ALA 8 2HB ALA 8 0.360 19.942 0.953 72 3HB ALA 8 3HB ALA 8 -0.159 18.630 2.013 73 HA PRO 9 HA PRO 9 1.869 14.015 1.196 74 1HB PRO 9 2HB PRO 9 2.486 13.487 3.808 75 2HB PRO 9 1HB PRO 9 3.707 13.899 2.587 76 1HG PRO 9 2HG PRO 9 2.498 15.596 4.702 77 2HG PRO 9 1HG PRO 9 4.152 15.577 4.074 78 1HD PRO 9 2HD PRO 9 2.264 17.444 3.383 79 2HD PRO 9 1HD PRO 9 3.657 17.008 2.370 80 H LYS 10 H LYS 10 -0.278 13.449 0.989 81 HA LYS 10 HA LYS 10 -2.430 14.229 2.668 82 1HB LYS 10 2HB LYS 10 -3.606 12.367 1.516 83 2HB LYS 10 1HB LYS 10 -2.645 13.322 0.388 84 1HG LYS 10 2HG LYS 10 -0.917 11.306 1.390 85 2HG LYS 10 1HG LYS 10 -2.439 10.505 1.012 86 1HD LYS 10 2HD LYS 10 -2.394 11.310 -1.255 87 2HD LYS 10 1HD LYS 10 -1.034 12.378 -0.908 88 1HE LYS 10 2HE LYS 10 -0.109 10.445 -2.012 89 2HE LYS 10 1HE LYS 10 0.282 10.257 -0.291 90 1HZ LYS 10 1HZ LYS 10 -0.723 8.236 -1.179 91 2HZ LYS 10 2HZ LYS 10 -2.097 9.112 -1.659 92 3HZ LYS 10 3HZ LYS 10 -1.726 8.944 -0.010 93 H ARG 11 H ARG 11 -3.728 11.859 3.437 94 HA ARG 11 HA ARG 11 -2.763 11.351 6.040 95 1HB ARG 11 2HB ARG 11 -4.645 10.101 4.096 96 2HB ARG 11 1HB ARG 11 -4.187 9.127 5.494 97 1HG ARG 11 2HG ARG 11 -6.089 10.316 6.235 98 2HG ARG 11 1HG ARG 11 -4.736 11.238 6.890 99 1HD ARG 11 2HD ARG 11 -4.865 12.720 4.832 100 2HD ARG 11 1HD ARG 11 -6.380 11.892 4.423 101 HE ARG 11 HE ARG 11 -6.487 12.710 7.165 102 1HH1 ARG 11 1HH2 ARG 11 -5.361 14.905 5.085 103 2HH1 ARG 11 2HH2 ARG 11 -6.783 15.891 4.983 104 1HH2 ARG 11 1HH1 ARG 11 -8.827 13.572 6.554 105 2HH2 ARG 11 2HH1 ARG 11 -8.744 15.136 5.814 106 HA PRO 12 HA PRO 12 0.550 8.506 5.415 107 1HB PRO 12 2HB PRO 12 0.439 7.035 7.716 108 2HB PRO 12 1HB PRO 12 1.042 8.704 7.663 109 1HG PRO 12 2HG PRO 12 -1.601 7.675 8.549 110 2HG PRO 12 1HG PRO 12 -0.623 8.997 9.198 111 1HD PRO 12 2HD PRO 12 -2.806 9.360 7.588 112 2HD PRO 12 1HD PRO 12 -1.466 10.520 7.724 113 HA PRO 13 HA PRO 13 -1.893 5.013 3.955 114 1HB PRO 13 2HB PRO 13 -0.081 4.071 2.140 115 2HB PRO 13 1HB PRO 13 -1.127 5.470 1.827 116 1HG PRO 13 2HG PRO 13 1.750 5.373 2.443 117 2HG PRO 13 1HG PRO 13 0.825 6.578 1.540 118 1HD PRO 13 2HD PRO 13 1.730 6.788 4.200 119 2HD PRO 13 1HD PRO 13 0.597 7.877 3.376 120 H SER 14 H SER 14 -1.606 2.622 3.995 121 HA SER 14 HA SER 14 0.807 1.486 5.217 122 1HB SER 14 2HB SER 14 -1.615 2.283 6.740 123 2HB SER 14 1HB SER 14 -0.954 0.697 7.128 124 HG SER 14 HG SER 14 0.194 2.045 8.379 125 H ALA 15 H ALA 15 0.070 0.529 2.904 126 HA ALA 15 HA ALA 15 -0.558 -1.405 1.767 127 1HB ALA 15 1HB ALA 15 -0.129 -3.205 3.066 128 2HB ALA 15 2HB ALA 15 -1.633 -2.961 3.953 129 3HB ALA 15 3HB ALA 15 -0.156 -2.156 4.483 130 H PHE 16 H PHE 16 -2.963 -1.564 4.419 131 HA PHE 16 HA PHE 16 -5.226 -2.049 2.835 132 1HB PHE 16 2HB PHE 16 -4.841 -2.004 5.383 133 2HB PHE 16 1HB PHE 16 -5.214 -0.286 5.284 134 HD1 PHE 16 1HD PHE 16 -7.402 0.196 5.909 135 HD2 PHE 16 2HD PHE 16 -6.603 -3.397 3.693 136 HE1 PHE 16 1HE PHE 16 -9.826 -0.321 5.874 137 HE2 PHE 16 2HE PHE 16 -9.029 -3.914 3.659 138 HZ PHE 16 HZ PHE 16 -10.640 -2.375 4.748 139 H PHE 17 H PHE 17 -3.863 1.102 3.802 140 HA PHE 17 HA PHE 17 -5.909 2.739 2.622 141 1HB PHE 17 2HB PHE 17 -3.983 3.250 4.310 142 2HB PHE 17 1HB PHE 17 -2.998 3.497 2.867 143 HD1 PHE 17 1HD PHE 17 -3.220 5.459 1.532 144 HD2 PHE 17 2HD PHE 17 -6.077 4.621 4.628 145 HE1 PHE 17 1HE PHE 17 -4.178 7.730 1.262 146 HE2 PHE 17 2HE PHE 17 -7.036 6.892 4.358 147 HZ PHE 17 HZ PHE 17 -6.087 8.447 2.674 148 H LEU 18 H LEU 18 -3.101 1.077 1.293 149 HA LEU 18 HA LEU 18 -3.116 2.585 -1.225 150 1HB LEU 18 2HB LEU 18 -1.740 -0.029 -0.526 151 2HB LEU 18 1HB LEU 18 -1.271 1.115 -1.778 152 HG LEU 18 HG LEU 18 -1.195 1.620 1.217 153 1HD1 LEU 18 1HD1 LEU 18 0.641 0.230 0.689 154 2HD1 LEU 18 2HD1 LEU 18 1.309 1.861 0.613 155 3HD1 LEU 18 3HD1 LEU 18 0.893 1.009 -0.874 156 1HD2 LEU 18 1HD2 LEU 18 0.205 3.654 0.196 157 2HD2 LEU 18 2HD2 LEU 18 -1.545 3.761 0.385 158 3HD2 LEU 18 3HD2 LEU 18 -0.850 3.376 -1.189 159 H PHE 19 H PHE 19 -4.160 -0.615 -0.064 160 HA PHE 19 HA PHE 19 -4.943 -1.674 -2.627 161 1HB PHE 19 2HB PHE 19 -4.499 -2.907 -0.460 162 2HB PHE 19 1HB PHE 19 -6.052 -2.308 0.125 163 HD1 PHE 19 1HD PHE 19 -4.369 -4.653 -2.118 164 HD2 PHE 19 2HD PHE 19 -8.166 -2.996 -0.981 165 HE1 PHE 19 1HE PHE 19 -5.530 -6.500 -3.299 166 HE2 PHE 19 2HE PHE 19 -9.326 -4.843 -2.162 167 HZ PHE 19 HZ PHE 19 -8.009 -6.595 -3.321 168 H CYS 20 H CYS 20 -6.856 -0.170 0.003 169 HA CYS 20 HA CYS 20 -9.362 -0.204 -1.423 170 1HB CYS 20 2HB CYS 20 -8.838 0.064 1.089 171 2HB CYS 20 1HB CYS 20 -8.517 1.759 0.717 172 HG CYS 20 HG CYS 20 -11.020 1.754 1.227 173 H SER 21 H SER 21 -6.640 2.012 -1.349 174 HA SER 21 HA SER 21 -8.099 4.155 -2.749 175 1HB SER 21 2HB SER 21 -6.404 4.597 -1.018 176 2HB SER 21 1HB SER 21 -5.186 3.778 -1.993 177 HG SER 21 HG SER 21 -5.890 6.303 -2.094 178 H GLU 22 H GLU 22 -6.895 1.256 -3.882 179 HA GLU 22 HA GLU 22 -6.350 2.463 -6.556 180 1HB GLU 22 2HB GLU 22 -4.633 0.640 -4.910 181 2HB GLU 22 1HB GLU 22 -4.453 0.713 -6.659 182 1HG GLU 22 2HG GLU 22 -4.358 3.145 -4.854 183 2HG GLU 22 1HG GLU 22 -2.923 2.278 -5.407 184 H TYR 23 H TYR 23 -8.206 0.231 -4.876 185 HA TYR 23 HA TYR 23 -8.400 -1.558 -7.280 186 1HB TYR 23 2HB TYR 23 -8.483 -2.049 -4.313 187 2HB TYR 23 1HB TYR 23 -9.269 -3.177 -5.416 188 HD1 TYR 23 1HD TYR 23 -8.013 -4.759 -6.650 189 HD2 TYR 23 2HD TYR 23 -6.015 -1.500 -4.689 190 HE1 TYR 23 1HE TYR 23 -5.818 -5.792 -7.168 191 HE2 TYR 23 2HE TYR 23 -3.821 -2.534 -5.206 192 HH TYR 23 HH TYR 23 -3.173 -4.484 -7.368 193 H ARG 24 H ARG 24 -9.960 0.980 -6.381 194 HA ARG 24 HA ARG 24 -12.650 -0.085 -5.894 195 1HB ARG 24 2HB ARG 24 -11.563 2.706 -6.318 196 2HB ARG 24 1HB ARG 24 -13.217 2.317 -5.839 197 1HG ARG 24 2HG ARG 24 -12.323 1.121 -3.843 198 2HG ARG 24 1HG ARG 24 -10.701 1.650 -4.292 199 1HD ARG 24 2HD ARG 24 -11.327 3.348 -2.797 200 2HD ARG 24 1HD ARG 24 -11.865 4.049 -4.337 201 HE ARG 24 HE ARG 24 -14.122 2.959 -3.819 202 1HH1 ARG 24 1HH1 ARG 24 -13.732 5.406 -2.164 203 2HH1 ARG 24 2HH1 ARG 24 -14.069 4.833 -0.565 204 1HH2 ARG 24 1HH2 ARG 24 -13.744 1.486 -1.412 205 2HH2 ARG 24 2HH2 ARG 24 -14.076 2.614 -0.139 206 HA PRO 25 HA PRO 25 -13.347 1.873 -10.247 207 1HB PRO 25 2HB PRO 25 -11.180 2.054 -11.911 208 2HB PRO 25 1HB PRO 25 -11.744 3.386 -10.881 209 1HG PRO 25 2HG PRO 25 -9.501 1.482 -10.453 210 2HG PRO 25 1HG PRO 25 -9.595 3.216 -10.104 211 1HD PRO 25 2HD PRO 25 -9.842 1.311 -8.217 212 2HD PRO 25 1HD PRO 25 -10.647 2.887 -8.087 213 H LYS 26 H LYS 26 -11.253 -0.754 -9.459 214 HA LYS 26 HA LYS 26 -11.561 -2.281 -11.927 215 1HB LYS 26 2HB LYS 26 -9.766 -2.484 -10.110 216 2HB LYS 26 1HB LYS 26 -11.007 -3.233 -9.100 217 1HG LYS 26 2HG LYS 26 -10.526 -4.286 -11.873 218 2HG LYS 26 1HG LYS 26 -9.434 -4.753 -10.567 219 1HD LYS 26 2HD LYS 26 -11.595 -5.314 -9.246 220 2HD LYS 26 1HD LYS 26 -12.393 -5.273 -10.819 221 1HE LYS 26 2HE LYS 26 -11.776 -7.536 -10.654 222 2HE LYS 26 1HE LYS 26 -10.392 -6.857 -11.533 223 1HZ LYS 26 1HZ LYS 26 -9.275 -6.485 -9.423 224 2HZ LYS 26 2HZ LYS 26 -9.654 -8.130 -9.607 225 3HZ LYS 26 3HZ LYS 26 -10.588 -7.149 -8.581 226 H ILE 27 H ILE 27 -12.941 -2.483 -8.645 227 HA ILE 27 HA ILE 27 -14.861 -4.505 -8.974 228 HB ILE 27 HB ILE 27 -15.149 -1.888 -7.449 229 1HG1 ILE 27 2HG1 ILE 27 -13.030 -2.823 -6.780 230 2HG1 ILE 27 1HG1 ILE 27 -14.183 -3.197 -5.515 231 1HG2 ILE 27 1HG2 ILE 27 -16.389 -4.620 -7.104 232 2HG2 ILE 27 2HG2 ILE 27 -17.210 -3.095 -7.434 233 3HG2 ILE 27 3HG2 ILE 27 -16.448 -3.366 -5.866 234 1HD1 ILE 27 1HD1 ILE 27 -13.100 -5.046 -7.637 235 2HD1 ILE 27 2HD1 ILE 27 -14.528 -5.440 -6.678 236 3HD1 ILE 27 3HD1 ILE 27 -12.969 -5.204 -5.886 237 H LYS 28 H LYS 28 -14.971 -1.135 -9.965 238 HA LYS 28 HA LYS 28 -17.813 -1.050 -10.499 239 1HB LYS 28 2HB LYS 28 -15.873 0.750 -11.931 240 2HB LYS 28 1HB LYS 28 -17.429 1.136 -11.211 241 1HG LYS 28 2HG LYS 28 -14.774 0.783 -9.855 242 2HG LYS 28 1HG LYS 28 -15.789 2.206 -9.862 243 1HD LYS 28 2HD LYS 28 -16.353 -0.406 -8.417 244 2HD LYS 28 1HD LYS 28 -15.918 1.134 -7.683 245 1HE LYS 28 2HE LYS 28 -18.378 0.853 -9.437 246 2HE LYS 28 1HE LYS 28 -18.427 0.574 -7.683 247 1HZ LYS 28 1HZ LYS 28 -17.497 3.031 -9.073 248 2HZ LYS 28 2HZ LYS 28 -17.312 2.752 -7.407 249 3HZ LYS 28 3HZ LYS 28 -18.866 2.881 -8.083 250 H SER 29 H SER 29 -14.978 -1.861 -12.445 251 HA SER 29 HA SER 29 -16.189 -1.818 -15.033 252 1HB SER 29 2HB SER 29 -13.746 -2.002 -14.434 253 2HB SER 29 1HB SER 29 -14.037 -3.677 -13.973 254 HG SER 29 HG SER 29 -14.309 -4.207 -16.027 255 H GLU 30 H GLU 30 -16.386 -4.148 -12.413 256 HA GLU 30 HA GLU 30 -17.935 -6.005 -14.190 257 1HB GLU 30 2HB GLU 30 -15.892 -6.294 -12.079 258 2HB GLU 30 1HB GLU 30 -17.247 -7.412 -11.929 259 1HG GLU 30 2HG GLU 30 -15.785 -6.996 -14.542 260 2HG GLU 30 1HG GLU 30 -15.284 -8.210 -13.366 261 H HIS 31 H HIS 31 -17.997 -4.099 -11.246 262 HA HIS 31 HA HIS 31 -20.762 -5.116 -10.673 263 1HB HIS 31 2HB HIS 31 -18.795 -3.835 -8.745 264 2HB HIS 31 1HB HIS 31 -20.293 -4.666 -8.339 265 HD1 HIS 31 1HD HIS 31 -16.724 -5.252 -9.174 266 HD2 HIS 31 2HD HIS 31 -20.155 -7.550 -8.620 267 HE1 HIS 31 1HE HIS 31 -15.949 -7.647 -8.964 268 HA PRO 32 HA PRO 32 -21.252 -0.722 -11.818 269 1HB PRO 32 2HB PRO 32 -23.803 -0.968 -12.773 270 2HB PRO 32 1HB PRO 32 -22.365 -1.317 -13.744 271 1HG PRO 32 2HG PRO 32 -24.244 -3.182 -12.421 272 2HG PRO 32 1HG PRO 32 -23.347 -3.361 -13.936 273 1HD PRO 32 2HD PRO 32 -22.656 -4.543 -11.541 274 2HD PRO 32 1HD PRO 32 -21.549 -4.270 -12.902 275 H GLY 33 H GLY 33 -23.347 -2.872 -9.990 276 1HA GLY 33 2HA GLY 33 -24.817 -0.672 -8.725 277 2HA GLY 33 1HA GLY 33 -24.991 -2.386 -8.362 278 H LEU 34 H LEU 34 -21.827 -2.280 -8.173 279 HA LEU 34 HA LEU 34 -21.638 -2.283 -5.329 280 1HB LEU 34 2HB LEU 34 -19.971 -2.637 -7.659 281 2HB LEU 34 1HB LEU 34 -19.105 -1.659 -6.484 282 HG LEU 34 HG LEU 34 -18.703 -4.092 -6.167 283 1HD1 LEU 34 1HD1 LEU 34 -19.619 -4.078 -3.690 284 2HD1 LEU 34 2HD1 LEU 34 -20.029 -2.406 -4.076 285 3HD1 LEU 34 3HD1 LEU 34 -18.355 -2.951 -4.181 286 1HD2 LEU 34 1HD2 LEU 34 -21.345 -4.603 -4.972 287 2HD2 LEU 34 2HD2 LEU 34 -20.380 -5.619 -6.042 288 3HD2 LEU 34 3HD2 LEU 34 -21.405 -4.354 -6.717 289 H SER 35 H SER 35 -22.773 -0.182 -4.848 290 HA SER 35 HA SER 35 -21.596 2.373 -5.522 291 1HB SER 35 2HB SER 35 -23.149 3.166 -3.746 292 2HB SER 35 1HB SER 35 -23.943 2.037 -4.839 293 HG SER 35 HG SER 35 -24.068 0.609 -3.277 294 H ILE 36 H ILE 36 -20.842 3.859 -3.581 295 HA ILE 36 HA ILE 36 -18.359 2.968 -2.566 296 HB ILE 36 HB ILE 36 -20.311 5.053 -1.530 297 1HG1 ILE 36 2HG1 ILE 36 -19.603 5.381 -3.875 298 2HG1 ILE 36 1HG1 ILE 36 -18.908 6.619 -2.832 299 1HG2 ILE 36 1HG2 ILE 36 -17.402 4.528 -0.876 300 2HG2 ILE 36 2HG2 ILE 36 -18.757 4.678 0.242 301 3HG2 ILE 36 3HG2 ILE 36 -18.159 6.100 -0.613 302 1HD1 ILE 36 1HD1 ILE 36 -17.141 5.863 -4.274 303 2HD1 ILE 36 2HD1 ILE 36 -17.522 4.172 -3.956 304 3HD1 ILE 36 3HD1 ILE 36 -16.824 5.172 -2.683 305 H GLY 37 H GLY 37 -21.600 2.597 -1.238 306 1HA GLY 37 2HA GLY 37 -20.934 1.905 1.438 307 2HA GLY 37 1HA GLY 37 -22.384 1.361 0.595 308 H ASP 38 H ASP 38 -21.847 -0.398 -1.146 309 HA ASP 38 HA ASP 38 -20.712 -2.677 0.227 310 1HB ASP 38 2HB ASP 38 -21.948 -2.007 -2.397 311 2HB ASP 38 1HB ASP 38 -20.966 -3.472 -2.345 312 H THR 39 H THR 39 -19.449 -0.377 -2.129 313 HA THR 39 HA THR 39 -17.152 -1.882 -2.995 314 HB THR 39 HB THR 39 -17.684 1.099 -2.769 315 HG1 THR 39 1HG THR 39 -18.459 0.893 -4.789 316 1HG2 THR 39 1HG2 THR 39 -15.520 -0.467 -4.183 317 2HG2 THR 39 2HG2 THR 39 -15.326 0.868 -3.048 318 3HG2 THR 39 3HG2 THR 39 -15.963 1.171 -4.664 319 H ALA 40 H ALA 40 -17.777 0.130 -0.164 320 HA ALA 40 HA ALA 40 -14.997 0.304 0.689 321 1HB ALA 40 1HB ALA 40 -16.086 1.167 2.771 322 2HB ALA 40 2HB ALA 40 -17.652 0.701 2.109 323 3HB ALA 40 3HB ALA 40 -16.697 1.953 1.315 324 H LYS 41 H LYS 41 -17.791 -1.707 1.635 325 HA LYS 41 HA LYS 41 -16.142 -3.272 3.501 326 1HB LYS 41 2HB LYS 41 -18.270 -4.351 4.029 327 2HB LYS 41 1HB LYS 41 -18.479 -2.604 3.982 328 1HG LYS 41 2HG LYS 41 -19.167 -2.998 1.492 329 2HG LYS 41 1HG LYS 41 -19.389 -4.671 1.989 330 1HD LYS 41 2HD LYS 41 -21.506 -3.468 2.207 331 2HD LYS 41 1HD LYS 41 -20.906 -3.908 3.804 332 1HE LYS 41 2HE LYS 41 -19.788 -1.350 3.181 333 2HE LYS 41 1HE LYS 41 -21.523 -1.281 2.811 334 1HZ LYS 41 1HZ LYS 41 -21.158 -0.841 5.152 335 2HZ LYS 41 2HZ LYS 41 -20.312 -2.303 5.327 336 3HZ LYS 41 3HZ LYS 41 -21.971 -2.318 4.964 337 H LYS 42 H LYS 42 -16.874 -3.476 0.138 338 HA LYS 42 HA LYS 42 -16.814 -6.394 -0.066 339 1HB LYS 42 2HB LYS 42 -17.980 -4.963 -1.690 340 2HB LYS 42 1HB LYS 42 -16.465 -4.154 -2.091 341 1HG LYS 42 2HG LYS 42 -17.034 -5.862 -3.776 342 2HG LYS 42 1HG LYS 42 -15.549 -6.292 -2.925 343 1HD LYS 42 2HD LYS 42 -16.498 -8.111 -1.916 344 2HD LYS 42 1HD LYS 42 -18.051 -7.305 -1.701 345 1HE LYS 42 2HE LYS 42 -18.867 -8.076 -3.694 346 2HE LYS 42 1HE LYS 42 -17.305 -7.888 -4.516 347 1HZ LYS 42 1HZ LYS 42 -17.777 -10.224 -4.209 348 2HZ LYS 42 2HZ LYS 42 -18.016 -9.996 -2.543 349 3HZ LYS 42 3HZ LYS 42 -16.472 -9.782 -3.220 350 H LEU 43 H LEU 43 -14.534 -3.860 -1.196 351 HA LEU 43 HA LEU 43 -12.344 -5.436 -1.894 352 1HB LEU 43 2HB LEU 43 -12.524 -2.734 -0.538 353 2HB LEU 43 1HB LEU 43 -11.028 -3.367 -1.223 354 HG LEU 43 HG LEU 43 -13.555 -3.238 -2.862 355 1HD1 LEU 43 1HD1 LEU 43 -13.176 -0.964 -2.063 356 2HD1 LEU 43 2HD1 LEU 43 -12.685 -1.069 -3.754 357 3HD1 LEU 43 3HD1 LEU 43 -11.466 -1.072 -2.480 358 1HD2 LEU 43 1HD2 LEU 43 -10.589 -3.257 -3.510 359 2HD2 LEU 43 2HD2 LEU 43 -11.880 -3.151 -4.707 360 3HD2 LEU 43 3HD2 LEU 43 -11.709 -4.604 -3.720 361 H GLY 44 H GLY 44 -13.482 -4.711 1.352 362 1HA GLY 44 2HA GLY 44 -11.059 -5.425 2.751 363 2HA GLY 44 1HA GLY 44 -12.671 -5.352 3.465 364 H GLU 45 H GLU 45 -13.924 -7.223 1.692 365 HA GLU 45 HA GLU 45 -13.607 -9.684 2.998 366 1HB GLU 45 2HB GLU 45 -15.194 -8.646 1.049 367 2HB GLU 45 1HB GLU 45 -14.214 -9.759 0.094 368 1HG GLU 45 2HG GLU 45 -14.833 -11.623 1.508 369 2HG GLU 45 1HG GLU 45 -15.656 -10.548 2.639 370 H MET 46 H MET 46 -11.812 -8.445 0.202 371 HA MET 46 HA MET 46 -10.362 -10.962 -0.242 372 1HB MET 46 2HB MET 46 -10.079 -8.127 -1.289 373 2HB MET 46 1HB MET 46 -9.156 -9.501 -1.898 374 1HG MET 46 2HG MET 46 -12.184 -9.401 -1.846 375 2HG MET 46 1HG MET 46 -11.213 -8.976 -3.255 376 1HE MET 46 1HE MET 46 -12.084 -10.864 -4.945 377 2HE MET 46 2HE MET 46 -13.296 -10.814 -3.667 378 3HE MET 46 3HE MET 46 -12.713 -12.368 -4.258 379 H TRP 47 H TRP 47 -9.660 -7.742 1.101 380 HA TRP 47 HA TRP 47 -6.917 -7.961 1.653 381 1HB TRP 47 2HB TRP 47 -8.520 -6.011 1.978 382 2HB TRP 47 1HB TRP 47 -8.995 -6.762 3.502 383 HD1 TRP 47 HD TRP 47 -7.730 -5.810 5.475 384 HE1 TRP 47 1HE TRP 47 -5.366 -4.863 5.883 385 HE3 TRP 47 3HE TRP 47 -5.765 -6.290 0.786 386 HZ2 TRP 47 2HZ TRP 47 -2.961 -4.375 4.414 387 HZ3 TRP 47 3HZ TRP 47 -3.439 -5.578 0.318 388 HH2 TRP 47 HH TRP 47 -2.035 -4.621 2.124 389 H SER 48 H SER 48 -9.592 -8.874 3.887 390 HA SER 48 HA SER 48 -7.860 -10.014 5.887 391 1HB SER 48 2HB SER 48 -10.283 -9.184 6.040 392 2HB SER 48 1HB SER 48 -10.748 -10.726 5.326 393 HG SER 48 HG SER 48 -9.929 -11.777 7.077 394 H GLU 49 H GLU 49 -9.453 -11.348 3.022 395 HA GLU 49 HA GLU 49 -9.204 -14.128 3.568 396 1HB GLU 49 2HB GLU 49 -9.366 -12.361 1.157 397 2HB GLU 49 1HB GLU 49 -8.959 -14.058 0.910 398 1HG GLU 49 2HG GLU 49 -11.324 -13.195 2.581 399 2HG GLU 49 1HG GLU 49 -11.450 -13.483 0.845 400 H GLN 50 H GLN 50 -6.860 -11.829 2.186 401 HA GLN 50 HA GLN 50 -4.824 -13.830 1.624 402 1HB GLN 50 2HB GLN 50 -4.805 -10.812 1.943 403 2HB GLN 50 1HB GLN 50 -3.422 -11.744 1.366 404 1HG GLN 50 2HG GLN 50 -6.160 -11.846 0.074 405 2HG GLN 50 1HG GLN 50 -4.864 -10.780 -0.472 406 1HE2 GLN 50 1HE2 GLN 50 -5.792 -14.206 -0.141 407 2HE2 GLN 50 2HE2 GLN 50 -4.625 -14.798 -1.221 408 H SER 51 H SER 51 -2.590 -13.571 2.755 409 HA SER 51 HA SER 51 -2.606 -12.670 5.545 410 1HB SER 51 2HB SER 51 -2.365 -14.949 6.470 411 2HB SER 51 1HB SER 51 -3.897 -14.778 5.617 412 HG SER 51 HG SER 51 -2.358 -16.670 5.187 413 H ALA 52 H ALA 52 -0.597 -11.723 5.484 414 HA ALA 52 HA ALA 52 1.730 -11.459 5.177 415 1HB ALA 52 1HB ALA 52 2.971 -13.348 5.971 416 2HB ALA 52 2HB ALA 52 1.724 -14.475 5.437 417 3HB ALA 52 3HB ALA 52 1.418 -13.405 6.806 418 H LYS 53 H LYS 53 0.143 -11.839 2.724 419 HA LYS 53 HA LYS 53 2.304 -12.948 0.971 420 1HB LYS 53 2HB LYS 53 -0.665 -13.503 1.027 421 2HB LYS 53 1HB LYS 53 0.286 -13.774 -0.434 422 1HG LYS 53 2HG LYS 53 1.747 -15.320 0.741 423 2HG LYS 53 1HG LYS 53 0.946 -14.969 2.273 424 1HD LYS 53 2HD LYS 53 -1.070 -16.023 1.585 425 2HD LYS 53 1HD LYS 53 -0.570 -16.048 -0.106 426 1HE LYS 53 2HE LYS 53 0.944 -17.817 0.233 427 2HE LYS 53 1HE LYS 53 1.050 -17.512 1.980 428 1HZ LYS 53 1HZ LYS 53 -0.400 -19.402 1.507 429 2HZ LYS 53 2HZ LYS 53 -1.382 -18.419 0.529 430 3HZ LYS 53 3HZ LYS 53 -1.275 -18.123 2.199 431 H ASP 54 H ASP 54 -0.911 -11.541 0.329 432 HA ASP 54 HA ASP 54 0.026 -9.851 -1.804 433 1HB ASP 54 2HB ASP 54 -2.309 -10.783 -1.316 434 2HB ASP 54 1HB ASP 54 -2.467 -9.488 -0.127 435 H LYS 55 H LYS 55 -0.046 -9.423 1.662 436 HA LYS 55 HA LYS 55 0.057 -6.491 1.578 437 1HB LYS 55 2HB LYS 55 0.431 -8.606 3.718 438 2HB LYS 55 1HB LYS 55 0.474 -6.874 4.051 439 1HG LYS 55 2HG LYS 55 -1.782 -6.605 3.689 440 2HG LYS 55 1HG LYS 55 -1.852 -7.904 2.496 441 1HD LYS 55 2HD LYS 55 -1.754 -9.590 4.215 442 2HD LYS 55 1HD LYS 55 -1.419 -8.381 5.456 443 1HE LYS 55 2HE LYS 55 -3.635 -7.412 5.198 444 2HE LYS 55 1HE LYS 55 -3.976 -8.471 3.814 445 1HZ LYS 55 1HZ LYS 55 -3.631 -10.392 5.239 446 2HZ LYS 55 2HZ LYS 55 -4.868 -9.409 5.865 447 3HZ LYS 55 3HZ LYS 55 -3.321 -9.383 6.567 448 H GLN 56 H GLN 56 2.355 -9.170 1.961 449 HA GLN 56 HA GLN 56 4.673 -7.958 2.877 450 1HB GLN 56 2HB GLN 56 3.902 -10.275 1.373 451 2HB GLN 56 1HB GLN 56 5.360 -9.614 0.637 452 1HG GLN 56 2HG GLN 56 6.005 -11.185 2.379 453 2HG GLN 56 1HG GLN 56 6.417 -9.553 2.907 454 1HE2 GLN 56 1HE2 GLN 56 5.231 -8.647 4.699 455 2HE2 GLN 56 2HE2 GLN 56 4.141 -9.564 5.621 456 HA PRO 57 HA PRO 57 5.839 -6.248 -1.399 457 1HB PRO 57 2HB PRO 57 4.076 -6.398 -3.467 458 2HB PRO 57 1HB PRO 57 5.224 -7.697 -3.088 459 1HG PRO 57 2HG PRO 57 2.329 -7.511 -2.531 460 2HG PRO 57 1HG PRO 57 3.311 -8.928 -2.919 461 1HD PRO 57 2HD PRO 57 2.430 -8.228 -0.388 462 2HD PRO 57 1HD PRO 57 3.783 -9.325 -0.735 463 H TYR 58 H TYR 58 2.326 -5.968 -0.855 464 HA TYR 58 HA TYR 58 2.235 -3.173 -1.711 465 1HB TYR 58 2HB TYR 58 0.466 -5.336 -1.303 466 2HB TYR 58 1HB TYR 58 -0.041 -4.097 -0.158 467 HD1 TYR 58 1HD TYR 58 0.168 -1.586 -1.272 468 HD2 TYR 58 2HD TYR 58 -0.594 -5.258 -3.368 469 HE1 TYR 58 1HE TYR 58 -0.884 -0.313 -3.122 470 HE2 TYR 58 2HE TYR 58 -1.646 -3.984 -5.217 471 HH TYR 58 HH TYR 58 -1.296 -1.329 -6.048 472 H GLU 59 H GLU 59 3.549 -4.426 1.066 473 HA GLU 59 HA GLU 59 2.380 -2.367 2.877 474 1HB GLU 59 2HB GLU 59 3.576 -3.634 4.620 475 2HB GLU 59 1HB GLU 59 2.591 -4.712 3.638 476 1HG GLU 59 2HG GLU 59 4.421 -5.929 3.150 477 2HG GLU 59 1HG GLU 59 5.140 -4.521 2.370 478 H GLN 60 H GLN 60 5.224 -2.997 0.966 479 HA GLN 60 HA GLN 60 7.015 -1.231 2.446 480 1HB GLN 60 2HB GLN 60 8.489 -1.672 0.518 481 2HB GLN 60 1HB GLN 60 7.741 -3.169 1.069 482 1HG GLN 60 2HG GLN 60 5.895 -2.330 -0.761 483 2HG GLN 60 1HG GLN 60 7.377 -1.699 -1.477 484 1HE2 GLN 60 1HE2 GLN 60 7.694 -3.239 -3.152 485 2HE2 GLN 60 2HE2 GLN 60 7.907 -4.899 -2.868 486 H LYS 61 H LYS 61 4.672 -0.883 -0.138 487 HA LYS 61 HA LYS 61 5.558 1.574 -1.298 488 1HB LYS 61 2HB LYS 61 3.861 0.082 -2.268 489 2HB LYS 61 1HB LYS 61 2.790 0.383 -0.902 490 1HG LYS 61 2HG LYS 61 2.431 2.642 -1.540 491 2HG LYS 61 1HG LYS 61 3.801 2.629 -2.653 492 1HD LYS 61 2HD LYS 61 2.530 0.790 -3.927 493 2HD LYS 61 1HD LYS 61 1.126 1.260 -2.967 494 1HE LYS 61 2HE LYS 61 1.000 3.387 -3.952 495 2HE LYS 61 1HE LYS 61 2.706 3.365 -4.443 496 1HZ LYS 61 1HZ LYS 61 2.205 1.529 -5.945 497 2HZ LYS 61 2HZ LYS 61 1.276 2.897 -6.333 498 3HZ LYS 61 3HZ LYS 61 0.568 1.592 -5.504 499 H ALA 62 H ALA 62 3.449 0.916 1.505 500 HA ALA 62 HA ALA 62 2.940 3.752 2.006 501 1HB ALA 62 1HB ALA 62 2.342 1.106 3.289 502 2HB ALA 62 2HB ALA 62 1.222 2.341 2.714 503 3HB ALA 62 3HB ALA 62 2.104 2.582 4.222 504 H ALA 63 H ALA 63 5.523 1.582 2.723 505 HA ALA 63 HA ALA 63 6.372 2.885 5.209 506 1HB ALA 63 1HB ALA 63 8.195 1.303 5.051 507 2HB ALA 63 2HB ALA 63 7.889 1.045 3.333 508 3HB ALA 63 3HB ALA 63 6.732 0.467 4.533 509 H LYS 64 H LYS 64 6.393 3.927 2.017 510 HA LYS 64 HA LYS 64 9.040 5.288 2.233 511 1HB LYS 64 2HB LYS 64 7.105 4.574 0.024 512 2HB LYS 64 1HB LYS 64 8.406 5.728 -0.239 513 1HG LYS 64 2HG LYS 64 8.795 2.906 0.794 514 2HG LYS 64 1HG LYS 64 9.032 3.392 -0.885 515 1HD LYS 64 2HD LYS 64 10.670 5.152 0.021 516 2HD LYS 64 1HD LYS 64 10.607 4.264 1.542 517 1HE LYS 64 2HE LYS 64 12.440 3.257 0.454 518 2HE LYS 64 1HE LYS 64 11.109 2.171 0.008 519 1HZ LYS 64 1HZ LYS 64 12.046 4.506 -1.577 520 2HZ LYS 64 2HZ LYS 64 10.754 3.482 -1.992 521 3HZ LYS 64 3HZ LYS 64 12.341 2.879 -1.956 522 H LEU 65 H LEU 65 5.575 5.780 2.004 523 HA LEU 65 HA LEU 65 5.810 8.708 1.713 524 1HB LEU 65 2HB LEU 65 3.653 6.620 1.781 525 2HB LEU 65 1HB LEU 65 3.214 8.306 2.063 526 HG LEU 65 HG LEU 65 4.631 8.777 -0.079 527 1HD1 LEU 65 1HD1 LEU 65 5.631 6.603 -0.365 528 2HD1 LEU 65 2HD1 LEU 65 4.472 6.820 -1.676 529 3HD1 LEU 65 3HD1 LEU 65 4.058 5.810 -0.291 530 1HD2 LEU 65 1HD2 LEU 65 2.650 8.532 -1.443 531 2HD2 LEU 65 2HD2 LEU 65 2.124 8.957 0.185 532 3HD2 LEU 65 3HD2 LEU 65 2.007 7.288 -0.372 533 H LYS 66 H LYS 66 6.105 6.551 4.283 534 HA LYS 66 HA LYS 66 4.651 8.124 6.299 535 1HB LYS 66 2HB LYS 66 4.846 5.670 6.422 536 2HB LYS 66 1HB LYS 66 6.603 5.796 6.433 537 1HG LYS 66 2HG LYS 66 6.450 5.836 8.690 538 2HG LYS 66 1HG LYS 66 5.835 7.479 8.511 539 1HD LYS 66 2HD LYS 66 3.600 6.803 8.718 540 2HD LYS 66 1HD LYS 66 3.961 5.138 8.261 541 1HE LYS 66 2HE LYS 66 5.498 5.404 10.519 542 2HE LYS 66 1HE LYS 66 4.096 6.416 10.920 543 1HZ LYS 66 1HZ LYS 66 4.045 3.612 9.937 544 2HZ LYS 66 2HZ LYS 66 2.665 4.587 10.109 545 3HZ LYS 66 3HZ LYS 66 3.579 4.154 11.475 546 H GLU 67 H GLU 67 7.964 7.622 5.145 547 HA GLU 67 HA GLU 67 9.301 9.132 7.212 548 1HB GLU 67 2HB GLU 67 9.884 8.186 4.416 549 2HB GLU 67 1HB GLU 67 11.012 9.291 5.204 550 1HG GLU 67 2HG GLU 67 10.038 6.812 6.614 551 2HG GLU 67 1HG GLU 67 11.404 6.744 5.502 552 H LYS 68 H LYS 68 8.594 10.034 3.810 553 HA LYS 68 HA LYS 68 9.214 12.791 4.038 554 1HB LYS 68 2HB LYS 68 7.300 11.236 2.276 555 2HB LYS 68 1HB LYS 68 7.724 12.925 1.989 556 1HG LYS 68 2HG LYS 68 10.123 12.280 1.882 557 2HG LYS 68 1HG LYS 68 9.656 10.590 2.083 558 1HD LYS 68 2HD LYS 68 8.480 10.569 0.000 559 2HD LYS 68 1HD LYS 68 8.570 12.325 -0.144 560 1HE LYS 68 2HE LYS 68 11.017 12.206 -0.395 561 2HE LYS 68 1HE LYS 68 10.958 10.442 -0.204 562 1HZ LYS 68 1HZ LYS 68 9.476 10.307 -2.099 563 2HZ LYS 68 2HZ LYS 68 10.916 11.086 -2.550 564 3HZ LYS 68 3HZ LYS 68 9.504 11.993 -2.283 565 H TYR 69 H TYR 69 6.408 11.045 5.188 566 HA TYR 69 HA TYR 69 4.624 13.362 5.280 567 1HB TYR 69 2HB TYR 69 3.805 11.054 5.098 568 2HB TYR 69 1HB TYR 69 4.594 10.630 6.617 569 HD1 TYR 69 1HD TYR 69 3.820 11.701 8.759 570 HD2 TYR 69 2HD TYR 69 1.679 12.150 5.062 571 HE1 TYR 69 1HE TYR 69 1.815 12.450 10.012 572 HE2 TYR 69 2HE TYR 69 -0.326 12.900 6.318 573 HH TYR 69 HH TYR 69 -0.635 14.072 8.757 574 H GLU 70 H GLU 70 6.116 11.383 7.875 575 HA GLU 70 HA GLU 70 5.635 13.278 9.976 576 1HB GLU 70 2HB GLU 70 7.596 11.001 9.594 577 2HB GLU 70 1HB GLU 70 7.401 11.850 11.128 578 1HG GLU 70 2HG GLU 70 5.142 10.491 9.631 579 2HG GLU 70 1HG GLU 70 6.019 9.767 10.979 580 H LYS 71 H LYS 71 7.961 13.380 7.421 581 HA LYS 71 HA LYS 71 9.791 15.128 8.997 582 1HB LYS 71 2HB LYS 71 9.958 13.747 6.302 583 2HB LYS 71 1HB LYS 71 11.228 14.787 6.947 584 1HG LYS 71 2HG LYS 71 10.161 12.478 8.563 585 2HG LYS 71 1HG LYS 71 11.425 12.230 7.357 586 1HD LYS 71 2HD LYS 71 12.760 14.039 8.479 587 2HD LYS 71 1HD LYS 71 11.538 14.086 9.751 588 1HE LYS 71 2HE LYS 71 12.766 11.439 9.025 589 2HE LYS 71 1HE LYS 71 13.666 12.558 10.069 590 1HZ LYS 71 1HZ LYS 71 11.673 12.781 11.450 591 2HZ LYS 71 2HZ LYS 71 12.219 11.174 11.405 592 3HZ LYS 71 3HZ LYS 71 10.868 11.640 10.487 593 H ASP 72 H ASP 72 7.527 15.150 6.283 594 HA ASP 72 HA ASP 72 8.227 17.976 5.647 595 1HB ASP 72 2HB ASP 72 7.992 16.113 3.928 596 2HB ASP 72 1HB ASP 72 6.265 16.117 4.285 597 H ILE 73 H ILE 73 5.650 16.029 7.079 598 HA ILE 73 HA ILE 73 3.515 17.921 6.878 599 HB ILE 73 HB ILE 73 3.444 15.468 7.544 600 1HG1 ILE 73 2HG1 ILE 73 1.694 15.975 9.433 601 2HG1 ILE 73 1HG1 ILE 73 2.021 17.659 9.020 602 1HG2 ILE 73 1HG2 ILE 73 4.039 16.474 10.331 603 2HG2 ILE 73 2HG2 ILE 73 5.291 15.776 9.304 604 3HG2 ILE 73 3HG2 ILE 73 3.900 14.804 9.782 605 1HD1 ILE 73 1HD1 ILE 73 1.386 17.292 6.718 606 2HD1 ILE 73 2HD1 ILE 73 0.102 16.638 7.735 607 3HD1 ILE 73 3HD1 ILE 73 1.269 15.552 6.978 608 H ALA 74 H ALA 74 6.297 17.752 9.001 609 HA ALA 74 HA ALA 74 5.575 19.336 11.198 610 1HB ALA 74 1HB ALA 74 7.732 18.232 10.932 611 2HB ALA 74 2HB ALA 74 8.011 19.957 11.179 612 3HB ALA 74 3HB ALA 74 8.131 19.267 9.561 613 H ALA 75 H ALA 75 6.654 20.469 7.975 614 HA ALA 75 HA ALA 75 6.507 23.293 8.575 615 1HB ALA 75 1HB ALA 75 7.760 22.206 6.698 616 2HB ALA 75 2HB ALA 75 6.700 23.501 6.141 617 3HB ALA 75 3HB ALA 75 6.218 21.817 5.936 618 H TYR 76 H TYR 76 4.084 20.913 8.057 619 HA TYR 76 HA TYR 76 2.001 22.967 7.444 620 1HB TYR 76 2HB TYR 76 2.439 20.884 5.970 621 2HB TYR 76 1HB TYR 76 1.740 19.955 7.299 622 HD1 TYR 76 1HD TYR 76 -0.585 19.698 7.434 623 HD2 TYR 76 2HD TYR 76 1.048 22.936 5.131 624 HE1 TYR 76 1HE TYR 76 -2.862 20.289 6.649 625 HE2 TYR 76 2HE TYR 76 -1.229 23.526 4.346 626 HH TYR 76 HH TYR 76 -3.781 21.554 4.462 627 H ARG 77 H ARG 77 3.400 21.328 9.981 628 HA ARG 77 HA ARG 77 0.979 21.624 11.695 629 1HB ARG 77 2HB ARG 77 1.577 19.258 10.532 630 2HB ARG 77 1HB ARG 77 2.561 19.120 11.987 631 1HG ARG 77 2HG ARG 77 0.439 19.857 13.263 632 2HG ARG 77 1HG ARG 77 -0.425 19.478 11.773 633 1HD ARG 77 2HD ARG 77 -0.375 17.268 12.273 634 2HD ARG 77 1HD ARG 77 1.393 17.311 12.404 635 HE ARG 77 HE ARG 77 0.610 18.518 14.739 636 1HH1 ARG 77 1HH1 ARG 77 -1.970 17.160 14.765 637 2HH1 ARG 77 2HH1 ARG 77 -1.620 15.630 15.497 638 1HH2 ARG 77 1HH2 ARG 77 1.802 15.872 14.990 639 2HH2 ARG 77 2HH2 ARG 77 0.516 14.901 15.625 640 H ALA 78 H ALA 78 2.537 23.458 12.383 641 HA ALA 78 HA ALA 78 4.914 22.667 13.896 642 1HB ALA 78 1HB ALA 78 3.415 25.291 13.683 643 2HB ALA 78 2HB ALA 78 4.725 24.783 12.617 644 3HB ALA 78 3HB ALA 78 5.047 25.094 14.323 645 H LYS 79 H LYS 79 1.689 22.467 14.574 646 HA LYS 79 HA LYS 79 1.764 23.323 17.385 647 1HB LYS 79 2HB LYS 79 -0.593 22.541 17.322 648 2HB LYS 79 1HB LYS 79 -0.233 23.620 15.977 649 1HG LYS 79 2HG LYS 79 0.386 20.908 15.208 650 2HG LYS 79 1HG LYS 79 -1.254 20.969 15.852 651 1HD LYS 79 2HD LYS 79 -0.281 22.984 13.824 652 2HD LYS 79 1HD LYS 79 -0.970 21.436 13.334 653 1HE LYS 79 2HE LYS 79 -3.010 21.982 14.722 654 2HE LYS 79 1HE LYS 79 -2.333 23.606 14.961 655 1HZ LYS 79 1HZ LYS 79 -2.133 23.812 12.541 656 2HZ LYS 79 2HZ LYS 79 -3.749 23.594 13.017 657 3HZ LYS 79 3HZ LYS 79 -2.876 22.299 12.347 Start of MODEL 25 1 1H MET 1 1HT MET 1 -9.615 27.582 10.758 2 2H MET 1 2HT MET 1 -11.242 27.425 10.294 3 3H MET 1 3HT MET 1 -10.020 27.466 9.114 4 HA MET 1 HA MET 1 -10.408 25.311 11.133 5 1HB MET 1 2HB MET 1 -11.879 25.890 8.907 6 2HB MET 1 1HB MET 1 -10.618 24.875 8.207 7 1HG MET 1 2HG MET 1 -12.132 23.244 8.851 8 2HG MET 1 1HG MET 1 -11.155 23.348 10.315 9 1HE MET 1 1HE MET 1 -12.283 23.431 12.565 10 2HE MET 1 2HE MET 1 -12.970 22.185 11.526 11 3HE MET 1 3HE MET 1 -14.031 23.158 12.543 12 H LYS 2 H LYS 2 -9.212 23.305 9.846 13 HA LYS 2 HA LYS 2 -6.587 24.184 8.773 14 1HB LYS 2 2HB LYS 2 -7.114 23.420 11.494 15 2HB LYS 2 1HB LYS 2 -6.032 22.243 10.753 16 1HG LYS 2 2HG LYS 2 -5.370 25.027 10.064 17 2HG LYS 2 1HG LYS 2 -5.263 24.683 11.777 18 1HD LYS 2 2HD LYS 2 -3.175 23.929 11.237 19 2HD LYS 2 1HD LYS 2 -4.051 22.470 10.771 20 1HE LYS 2 2HE LYS 2 -4.319 23.996 8.509 21 2HE LYS 2 1HE LYS 2 -2.704 24.466 9.079 22 1HZ LYS 2 1HZ LYS 2 -3.673 21.670 8.807 23 2HZ LYS 2 2HZ LYS 2 -2.124 22.147 9.314 24 3HZ LYS 2 3HZ LYS 2 -2.627 22.443 7.720 25 H LYS 3 H LYS 3 -5.478 22.454 7.666 26 HA LYS 3 HA LYS 3 -6.477 19.742 7.622 27 1HB LYS 3 2HB LYS 3 -8.060 21.476 6.286 28 2HB LYS 3 1HB LYS 3 -6.905 21.098 5.008 29 1HG LYS 3 2HG LYS 3 -7.338 18.607 5.836 30 2HG LYS 3 1HG LYS 3 -8.862 19.305 6.385 31 1HD LYS 3 2HD LYS 3 -9.568 19.808 4.234 32 2HD LYS 3 1HD LYS 3 -7.923 19.925 3.610 33 1HE LYS 3 2HE LYS 3 -7.782 17.370 4.116 34 2HE LYS 3 1HE LYS 3 -9.555 17.446 4.149 35 1HZ LYS 3 1HZ LYS 3 -9.496 18.578 2.001 36 2HZ LYS 3 2HZ LYS 3 -8.779 17.042 1.901 37 3HZ LYS 3 3HZ LYS 3 -7.807 18.434 1.957 38 H LYS 4 H LYS 4 -5.278 18.432 5.979 39 HA LYS 4 HA LYS 4 -2.501 19.026 5.881 40 1HB LYS 4 2HB LYS 4 -4.387 17.111 4.555 41 2HB LYS 4 1HB LYS 4 -2.727 17.198 3.966 42 1HG LYS 4 2HG LYS 4 -1.837 16.371 5.926 43 2HG LYS 4 1HG LYS 4 -3.135 17.034 6.919 44 1HD LYS 4 2HD LYS 4 -4.658 15.321 5.710 45 2HD LYS 4 1HD LYS 4 -3.153 14.534 5.234 46 1HE LYS 4 2HE LYS 4 -3.594 13.441 7.256 47 2HE LYS 4 1HE LYS 4 -2.601 14.795 7.833 48 1HZ LYS 4 1HZ LYS 4 -4.702 14.630 9.059 49 2HZ LYS 4 2HZ LYS 4 -5.566 14.820 7.608 50 3HZ LYS 4 3HZ LYS 4 -4.596 16.086 8.194 51 H ASP 5 H ASP 5 -5.117 19.874 3.687 52 HA ASP 5 HA ASP 5 -5.164 21.218 1.761 53 1HB ASP 5 2HB ASP 5 -2.866 22.112 3.402 54 2HB ASP 5 1HB ASP 5 -2.780 22.582 1.706 55 HA PRO 6 HA PRO 6 -3.030 19.003 -1.367 56 1HB PRO 6 2HB PRO 6 -2.798 20.830 -3.387 57 2HB PRO 6 1HB PRO 6 -4.338 20.071 -2.938 58 1HG PRO 6 2HG PRO 6 -3.297 22.775 -2.271 59 2HG PRO 6 1HG PRO 6 -4.945 22.265 -2.670 60 1HD PRO 6 2HD PRO 6 -4.079 22.759 -0.125 61 2HD PRO 6 1HD PRO 6 -5.412 21.652 -0.521 62 H ASN 7 H ASN 7 -1.590 21.962 -0.183 63 HA ASN 7 HA ASN 7 0.929 21.689 -1.629 64 1HB ASN 7 2HB ASN 7 -0.189 23.789 -0.684 65 2HB ASN 7 1HB ASN 7 0.353 23.243 0.904 66 1HD2 ASN 7 1HD2 ASN 7 2.602 23.447 1.415 67 2HD2 ASN 7 2HD2 ASN 7 3.721 24.179 0.370 68 H ALA 8 H ALA 8 -0.323 20.605 1.506 69 HA ALA 8 HA ALA 8 2.370 19.669 2.344 70 1HB ALA 8 1HB ALA 8 1.473 19.806 4.447 71 2HB ALA 8 2HB ALA 8 -0.053 19.079 3.945 72 3HB ALA 8 3HB ALA 8 0.247 20.792 3.651 73 HA PRO 9 HA PRO 9 1.554 15.450 1.372 74 1HB PRO 9 2HB PRO 9 2.170 14.027 3.625 75 2HB PRO 9 1HB PRO 9 3.399 14.793 2.600 76 1HG PRO 9 2HG PRO 9 2.280 15.687 5.198 77 2HG PRO 9 1HG PRO 9 3.925 15.835 4.564 78 1HD PRO 9 2HD PRO 9 2.095 17.885 4.608 79 2HD PRO 9 1HD PRO 9 3.469 17.791 3.487 80 H LYS 10 H LYS 10 -0.309 14.223 1.225 81 HA LYS 10 HA LYS 10 -2.627 14.876 2.796 82 1HB LYS 10 2HB LYS 10 -3.629 13.023 1.467 83 2HB LYS 10 1HB LYS 10 -2.712 14.141 0.459 84 1HG LYS 10 2HG LYS 10 -0.956 12.066 1.457 85 2HG LYS 10 1HG LYS 10 -2.359 11.335 0.678 86 1HD LYS 10 2HD LYS 10 -1.938 12.466 -1.375 87 2HD LYS 10 1HD LYS 10 -0.788 13.568 -0.619 88 1HE LYS 10 2HE LYS 10 0.496 11.899 -1.826 89 2HE LYS 10 1HE LYS 10 0.650 11.522 -0.098 90 1HZ LYS 10 1HZ LYS 10 -1.218 10.000 -0.298 91 2HZ LYS 10 2HZ LYS 10 0.025 9.551 -1.365 92 3HZ LYS 10 3HZ LYS 10 -1.355 10.347 -1.953 93 H ARG 11 H ARG 11 -3.846 12.476 3.390 94 HA ARG 11 HA ARG 11 -2.849 11.780 5.957 95 1HB ARG 11 2HB ARG 11 -4.789 10.677 3.965 96 2HB ARG 11 1HB ARG 11 -4.348 9.650 5.328 97 1HG ARG 11 2HG ARG 11 -6.150 10.818 6.225 98 2HG ARG 11 1HG ARG 11 -4.803 11.839 6.732 99 1HD ARG 11 2HD ARG 11 -5.299 13.501 5.175 100 2HD ARG 11 1HD ARG 11 -6.089 12.363 4.065 101 HE ARG 11 HE ARG 11 -7.373 12.751 6.706 102 1HH1 ARG 11 1HH1 ARG 11 -8.297 11.755 3.820 103 2HH1 ARG 11 2HH1 ARG 11 -9.479 12.977 3.490 104 1HH2 ARG 11 1HH2 ARG 11 -8.449 15.046 6.075 105 2HH2 ARG 11 2HH2 ARG 11 -9.565 14.840 4.766 106 HA PRO 12 HA PRO 12 0.423 8.992 4.892 107 1HB PRO 12 2HB PRO 12 0.633 7.592 7.231 108 2HB PRO 12 1HB PRO 12 1.223 9.254 7.044 109 1HG PRO 12 2HG PRO 12 -1.265 8.263 8.327 110 2HG PRO 12 1HG PRO 12 -0.212 9.608 8.784 111 1HD PRO 12 2HD PRO 12 -2.606 9.902 7.480 112 2HD PRO 12 1HD PRO 12 -1.275 11.077 7.407 113 HA PRO 13 HA PRO 13 -2.159 5.451 3.878 114 1HB PRO 13 2HB PRO 13 -0.533 4.373 1.967 115 2HB PRO 13 1HB PRO 13 -1.574 5.777 1.666 116 1HG PRO 13 2HG PRO 13 1.343 5.644 2.040 117 2HG PRO 13 1HG PRO 13 0.366 6.821 1.153 118 1HD PRO 13 2HD PRO 13 1.503 7.154 3.708 119 2HD PRO 13 1HD PRO 13 0.323 8.223 2.924 120 H SER 14 H SER 14 -1.657 2.970 3.694 121 HA SER 14 HA SER 14 0.762 1.960 4.958 122 1HB SER 14 2HB SER 14 -1.638 2.702 6.534 123 2HB SER 14 1HB SER 14 -0.940 1.131 6.917 124 HG SER 14 HG SER 14 0.185 3.703 7.092 125 H ALA 15 H ALA 15 0.104 0.874 2.719 126 HA ALA 15 HA ALA 15 -0.451 -1.118 1.655 127 1HB ALA 15 1HB ALA 15 -0.006 -2.848 3.037 128 2HB ALA 15 2HB ALA 15 -1.542 -2.616 3.871 129 3HB ALA 15 3HB ALA 15 -0.106 -1.745 4.408 130 H PHE 16 H PHE 16 -2.957 -1.277 4.231 131 HA PHE 16 HA PHE 16 -5.133 -1.943 2.645 132 1HB PHE 16 2HB PHE 16 -4.803 -1.581 5.204 133 2HB PHE 16 1HB PHE 16 -5.345 0.065 4.881 134 HD1 PHE 16 1HD PHE 16 -6.429 -3.157 5.746 135 HD2 PHE 16 2HD PHE 16 -7.507 0.195 3.288 136 HE1 PHE 16 1HE PHE 16 -8.782 -3.936 5.718 137 HE2 PHE 16 2HE PHE 16 -9.860 -0.583 3.259 138 HZ PHE 16 HZ PHE 16 -10.499 -2.649 4.475 139 H PHE 17 H PHE 17 -4.103 1.394 3.438 140 HA PHE 17 HA PHE 17 -6.142 2.746 1.956 141 1HB PHE 17 2HB PHE 17 -3.575 3.312 3.271 142 2HB PHE 17 1HB PHE 17 -3.886 4.373 1.898 143 HD1 PHE 17 1HD PHE 17 -6.327 5.368 1.766 144 HD2 PHE 17 2HD PHE 17 -4.515 3.832 5.345 145 HE1 PHE 17 1HE PHE 17 -7.932 6.669 3.138 146 HE2 PHE 17 2HE PHE 17 -6.121 5.133 6.716 147 HZ PHE 17 HZ PHE 17 -7.830 6.552 5.613 148 H LEU 18 H LEU 18 -3.069 1.296 0.969 149 HA LEU 18 HA LEU 18 -3.112 2.515 -1.701 150 1HB LEU 18 2HB LEU 18 -1.479 0.154 -0.720 151 2HB LEU 18 1HB LEU 18 -1.066 1.282 -2.002 152 HG LEU 18 HG LEU 18 -1.184 1.879 0.972 153 1HD1 LEU 18 1HD1 LEU 18 0.862 0.815 0.520 154 2HD1 LEU 18 2HD1 LEU 18 1.260 2.528 0.391 155 3HD1 LEU 18 3HD1 LEU 18 1.009 1.569 -1.068 156 1HD2 LEU 18 1HD2 LEU 18 -1.889 3.917 0.060 157 2HD2 LEU 18 2HD2 LEU 18 -1.008 3.661 -1.447 158 3HD2 LEU 18 3HD2 LEU 18 -0.137 4.114 0.019 159 H PHE 19 H PHE 19 -4.116 -0.502 -0.186 160 HA PHE 19 HA PHE 19 -4.512 -1.969 -2.678 161 1HB PHE 19 2HB PHE 19 -4.005 -2.974 -0.457 162 2HB PHE 19 1HB PHE 19 -5.564 -2.405 0.137 163 HD1 PHE 19 1HD PHE 19 -7.671 -3.360 -0.722 164 HD2 PHE 19 2HD PHE 19 -3.845 -4.851 -1.984 165 HE1 PHE 19 1HE PHE 19 -8.763 -5.392 -1.634 166 HE2 PHE 19 2HE PHE 19 -4.938 -6.883 -2.895 167 HZ PHE 19 HZ PHE 19 -7.397 -7.153 -2.720 168 H CYS 20 H CYS 20 -6.786 -0.625 -0.248 169 HA CYS 20 HA CYS 20 -9.190 -1.112 -1.681 170 1HB CYS 20 2HB CYS 20 -8.728 -0.338 0.746 171 2HB CYS 20 1HB CYS 20 -8.679 1.293 0.076 172 HG CYS 20 HG CYS 20 -11.185 0.011 0.791 173 H SER 21 H SER 21 -7.238 1.894 -1.562 174 HA SER 21 HA SER 21 -8.784 3.438 -3.375 175 1HB SER 21 2HB SER 21 -6.884 4.140 -1.852 176 2HB SER 21 1HB SER 21 -5.772 3.460 -3.037 177 HG SER 21 HG SER 21 -5.956 5.340 -3.958 178 H GLU 22 H GLU 22 -6.607 0.773 -4.003 179 HA GLU 22 HA GLU 22 -6.482 1.439 -6.904 180 1HB GLU 22 2HB GLU 22 -4.965 -0.221 -4.954 181 2HB GLU 22 1HB GLU 22 -4.932 -0.716 -6.644 182 1HG GLU 22 2HG GLU 22 -4.273 2.079 -5.669 183 2HG GLU 22 1HG GLU 22 -3.067 0.846 -6.038 184 H TYR 23 H TYR 23 -7.963 -0.804 -4.653 185 HA TYR 23 HA TYR 23 -8.696 -2.737 -6.756 186 1HB TYR 23 2HB TYR 23 -8.740 -2.489 -3.813 187 2HB TYR 23 1HB TYR 23 -10.097 -3.394 -4.482 188 HD1 TYR 23 1HD TYR 23 -6.387 -3.075 -4.990 189 HD2 TYR 23 2HD TYR 23 -9.798 -5.681 -4.810 190 HE1 TYR 23 1HE TYR 23 -4.910 -5.034 -5.354 191 HE2 TYR 23 2HE TYR 23 -8.320 -7.640 -5.174 192 HH TYR 23 HH TYR 23 -5.515 -7.612 -6.434 193 H ARG 24 H ARG 24 -10.251 -0.138 -4.902 194 HA ARG 24 HA ARG 24 -12.955 -0.565 -5.372 195 1HB ARG 24 2HB ARG 24 -11.285 1.954 -5.392 196 2HB ARG 24 1HB ARG 24 -13.049 1.970 -5.418 197 1HG ARG 24 2HG ARG 24 -13.224 1.021 -3.284 198 2HG ARG 24 1HG ARG 24 -11.588 0.366 -3.337 199 1HD ARG 24 2HD ARG 24 -10.689 2.287 -2.506 200 2HD ARG 24 1HD ARG 24 -11.666 3.303 -3.583 201 HE ARG 24 HE ARG 24 -12.562 2.238 -0.949 202 1HH1 ARG 24 1HH1 ARG 24 -14.315 2.762 -3.613 203 2HH1 ARG 24 2HH1 ARG 24 -15.141 4.187 -3.078 204 1HH2 ARG 24 1HH2 ARG 24 -13.091 4.664 -0.323 205 2HH2 ARG 24 2HH2 ARG 24 -14.448 5.263 -1.216 206 HA PRO 25 HA PRO 25 -12.661 1.661 -9.692 207 1HB PRO 25 2HB PRO 25 -10.205 1.517 -10.924 208 2HB PRO 25 1HB PRO 25 -10.750 2.914 -9.973 209 1HG PRO 25 2HG PRO 25 -9.022 0.622 -9.135 210 2HG PRO 25 1HG PRO 25 -8.797 2.359 -8.851 211 1HD PRO 25 2HD PRO 25 -9.755 0.806 -6.934 212 2HD PRO 25 1HD PRO 25 -10.430 2.430 -7.182 213 H LYS 26 H LYS 26 -10.758 -1.160 -8.832 214 HA LYS 26 HA LYS 26 -11.117 -2.639 -11.305 215 1HB LYS 26 2HB LYS 26 -9.485 -2.966 -9.297 216 2HB LYS 26 1HB LYS 26 -10.849 -3.780 -8.522 217 1HG LYS 26 2HG LYS 26 -9.969 -4.550 -11.301 218 2HG LYS 26 1HG LYS 26 -9.180 -5.236 -9.881 219 1HD LYS 26 2HD LYS 26 -11.580 -5.779 -9.064 220 2HD LYS 26 1HD LYS 26 -12.058 -5.502 -10.740 221 1HE LYS 26 2HE LYS 26 -9.743 -7.336 -10.141 222 2HE LYS 26 1HE LYS 26 -11.409 -7.936 -10.024 223 1HZ LYS 26 1HZ LYS 26 -10.554 -8.184 -12.280 224 2HZ LYS 26 2HZ LYS 26 -10.242 -6.516 -12.362 225 3HZ LYS 26 3HZ LYS 26 -11.841 -7.080 -12.242 226 H ILE 27 H ILE 27 -12.741 -2.594 -8.147 227 HA ILE 27 HA ILE 27 -14.759 -4.532 -8.566 228 HB ILE 27 HB ILE 27 -14.788 -1.901 -7.036 229 1HG1 ILE 27 2HG1 ILE 27 -12.928 -3.429 -6.409 230 2HG1 ILE 27 1HG1 ILE 27 -14.093 -3.241 -5.107 231 1HG2 ILE 27 1HG2 ILE 27 -16.581 -4.334 -6.855 232 2HG2 ILE 27 2HG2 ILE 27 -17.055 -2.666 -7.183 233 3HG2 ILE 27 3HG2 ILE 27 -16.473 -3.119 -5.581 234 1HD1 ILE 27 1HD1 ILE 27 -15.177 -5.364 -5.794 235 2HD1 ILE 27 2HD1 ILE 27 -13.486 -5.597 -5.346 236 3HD1 ILE 27 3HD1 ILE 27 -13.952 -5.564 -7.047 237 H LYS 28 H LYS 28 -14.552 -1.163 -9.609 238 HA LYS 28 HA LYS 28 -17.337 -0.891 -10.343 239 1HB LYS 28 2HB LYS 28 -15.093 0.707 -11.575 240 2HB LYS 28 1HB LYS 28 -16.707 1.244 -11.131 241 1HG LYS 28 2HG LYS 28 -14.290 0.850 -9.413 242 2HG LYS 28 1HG LYS 28 -15.342 2.240 -9.508 243 1HD LYS 28 2HD LYS 28 -15.936 -0.408 -8.139 244 2HD LYS 28 1HD LYS 28 -15.687 1.154 -7.374 245 1HE LYS 28 2HE LYS 28 -17.902 0.773 -9.403 246 2HE LYS 28 1HE LYS 28 -18.141 0.398 -7.686 247 1HZ LYS 28 1HZ LYS 28 -18.679 2.717 -8.152 248 2HZ LYS 28 2HZ LYS 28 -17.115 2.971 -8.766 249 3HZ LYS 28 3HZ LYS 28 -17.337 2.604 -7.122 250 H SER 29 H SER 29 -14.406 -1.799 -12.134 251 HA SER 29 HA SER 29 -15.479 -1.757 -14.773 252 1HB SER 29 2HB SER 29 -13.079 -2.008 -14.029 253 2HB SER 29 1HB SER 29 -13.445 -3.680 -13.606 254 HG SER 29 HG SER 29 -13.160 -2.466 -16.083 255 H GLU 30 H GLU 30 -15.933 -4.047 -12.158 256 HA GLU 30 HA GLU 30 -17.416 -5.867 -14.029 257 1HB GLU 30 2HB GLU 30 -15.468 -6.227 -11.850 258 2HB GLU 30 1HB GLU 30 -16.870 -7.286 -11.718 259 1HG GLU 30 2HG GLU 30 -15.370 -6.971 -14.320 260 2HG GLU 30 1HG GLU 30 -14.876 -8.151 -13.105 261 H HIS 31 H HIS 31 -17.691 -3.812 -11.247 262 HA HIS 31 HA HIS 31 -20.483 -4.828 -10.815 263 1HB HIS 31 2HB HIS 31 -18.632 -3.682 -8.696 264 2HB HIS 31 1HB HIS 31 -20.189 -4.456 -8.439 265 HD1 HIS 31 1HD HIS 31 -16.591 -5.186 -8.986 266 HD2 HIS 31 2HD HIS 31 -20.159 -7.333 -8.815 267 HE1 HIS 31 1HE HIS 31 -15.946 -7.623 -8.780 268 HA PRO 32 HA PRO 32 -20.726 -0.398 -11.886 269 1HB PRO 32 2HB PRO 32 -23.180 -0.541 -13.089 270 2HB PRO 32 1HB PRO 32 -21.666 -0.911 -13.929 271 1HG PRO 32 2HG PRO 32 -23.714 -2.749 -12.836 272 2HG PRO 32 1HG PRO 32 -22.689 -2.919 -14.268 273 1HD PRO 32 2HD PRO 32 -22.251 -4.184 -11.857 274 2HD PRO 32 1HD PRO 32 -21.013 -3.902 -13.099 275 H GLY 33 H GLY 33 -23.228 -2.490 -10.500 276 1HA GLY 33 2HA GLY 33 -24.690 -0.311 -9.251 277 2HA GLY 33 1HA GLY 33 -24.925 -2.029 -8.941 278 H LEU 34 H LEU 34 -21.853 -2.119 -8.433 279 HA LEU 34 HA LEU 34 -21.844 -2.188 -5.622 280 1HB LEU 34 2HB LEU 34 -20.020 -2.423 -7.818 281 2HB LEU 34 1HB LEU 34 -19.260 -1.401 -6.606 282 HG LEU 34 HG LEU 34 -18.774 -3.837 -6.298 283 1HD1 LEU 34 1HD1 LEU 34 -18.427 -2.949 -4.249 284 2HD1 LEU 34 2HD1 LEU 34 -19.958 -3.707 -3.817 285 3HD1 LEU 34 3HD1 LEU 34 -19.919 -2.011 -4.298 286 1HD2 LEU 34 1HD2 LEU 34 -21.440 -4.373 -5.140 287 2HD2 LEU 34 2HD2 LEU 34 -20.403 -5.418 -6.111 288 3HD2 LEU 34 3HD2 LEU 34 -21.427 -4.218 -6.896 289 H SER 35 H SER 35 -22.939 -0.244 -4.855 290 HA SER 35 HA SER 35 -21.960 2.431 -5.395 291 1HB SER 35 2HB SER 35 -24.253 1.877 -4.645 292 2HB SER 35 1HB SER 35 -23.612 1.279 -3.118 293 HG SER 35 HG SER 35 -23.489 3.262 -2.447 294 H ILE 36 H ILE 36 -21.246 3.803 -3.348 295 HA ILE 36 HA ILE 36 -18.677 2.907 -2.491 296 HB ILE 36 HB ILE 36 -20.611 5.063 -1.618 297 1HG1 ILE 36 2HG1 ILE 36 -18.517 6.403 -2.442 298 2HG1 ILE 36 1HG1 ILE 36 -18.045 4.875 -3.183 299 1HG2 ILE 36 1HG2 ILE 36 -17.950 4.331 -0.374 300 2HG2 ILE 36 2HG2 ILE 36 -19.479 4.665 0.440 301 3HG2 ILE 36 3HG2 ILE 36 -18.575 5.979 -0.315 302 1HD1 ILE 36 1HD1 ILE 36 -19.437 6.498 -4.622 303 2HD1 ILE 36 2HD1 ILE 36 -20.797 6.041 -3.595 304 3HD1 ILE 36 3HD1 ILE 36 -19.969 4.817 -4.559 305 H GLY 37 H GLY 37 -21.880 2.608 -0.997 306 1HA GLY 37 2HA GLY 37 -21.091 1.757 1.597 307 2HA GLY 37 1HA GLY 37 -22.603 1.293 0.813 308 H ASP 38 H ASP 38 -22.042 -0.297 -1.176 309 HA ASP 38 HA ASP 38 -21.040 -2.745 0.011 310 1HB ASP 38 2HB ASP 38 -22.775 -2.182 -1.921 311 2HB ASP 38 1HB ASP 38 -21.346 -2.334 -2.942 312 H THR 39 H THR 39 -19.691 -0.368 -2.275 313 HA THR 39 HA THR 39 -17.338 -1.839 -3.007 314 HB THR 39 HB THR 39 -17.844 1.142 -2.774 315 HG1 THR 39 1HG THR 39 -18.637 0.975 -4.765 316 1HG2 THR 39 1HG2 THR 39 -15.475 0.803 -2.951 317 2HG2 THR 39 2HG2 THR 39 -16.043 1.225 -4.566 318 3HG2 THR 39 3HG2 THR 39 -15.686 -0.456 -4.168 319 H ALA 40 H ALA 40 -18.124 0.139 -0.203 320 HA ALA 40 HA ALA 40 -15.396 0.309 0.805 321 1HB ALA 40 1HB ALA 40 -18.077 0.640 2.192 322 2HB ALA 40 2HB ALA 40 -17.253 1.910 1.286 323 3HB ALA 40 3HB ALA 40 -16.528 1.265 2.759 324 H LYS 41 H LYS 41 -18.237 -1.717 1.573 325 HA LYS 41 HA LYS 41 -16.685 -3.276 3.528 326 1HB LYS 41 2HB LYS 41 -18.841 -4.301 4.003 327 2HB LYS 41 1HB LYS 41 -19.045 -2.556 3.876 328 1HG LYS 41 2HG LYS 41 -19.701 -2.924 1.453 329 2HG LYS 41 1HG LYS 41 -19.735 -4.647 1.802 330 1HD LYS 41 2HD LYS 41 -21.982 -3.860 2.079 331 2HD LYS 41 1HD LYS 41 -21.340 -4.112 3.702 332 1HE LYS 41 2HE LYS 41 -20.605 -1.502 3.244 333 2HE LYS 41 1HE LYS 41 -22.155 -1.598 2.384 334 1HZ LYS 41 1HZ LYS 41 -22.497 -1.112 4.733 335 2HZ LYS 41 2HZ LYS 41 -21.660 -2.527 5.164 336 3HZ LYS 41 3HZ LYS 41 -23.138 -2.631 4.333 337 H LYS 42 H LYS 42 -17.313 -3.524 0.121 338 HA LYS 42 HA LYS 42 -17.113 -6.469 0.069 339 1HB LYS 42 2HB LYS 42 -18.560 -4.976 -1.403 340 2HB LYS 42 1HB LYS 42 -17.077 -4.463 -2.205 341 1HG LYS 42 2HG LYS 42 -17.872 -6.222 -3.548 342 2HG LYS 42 1HG LYS 42 -16.662 -7.009 -2.531 343 1HD LYS 42 2HD LYS 42 -19.337 -6.915 -1.303 344 2HD LYS 42 1HD LYS 42 -19.291 -7.831 -2.805 345 1HE LYS 42 2HE LYS 42 -16.964 -8.484 -1.215 346 2HE LYS 42 1HE LYS 42 -18.434 -8.710 -0.256 347 1HZ LYS 42 1HZ LYS 42 -19.408 -9.882 -2.182 348 2HZ LYS 42 2HZ LYS 42 -18.054 -10.685 -1.542 349 3HZ LYS 42 3HZ LYS 42 -17.912 -9.784 -2.976 350 H LEU 43 H LEU 43 -14.864 -4.127 0.620 351 HA LEU 43 HA LEU 43 -12.769 -5.355 -1.123 352 1HB LEU 43 2HB LEU 43 -13.019 -2.733 0.375 353 2HB LEU 43 1HB LEU 43 -11.541 -3.237 -0.442 354 HG LEU 43 HG LEU 43 -14.237 -3.008 -1.805 355 1HD1 LEU 43 1HD1 LEU 43 -13.231 -0.822 -0.970 356 2HD1 LEU 43 2HD1 LEU 43 -13.493 -0.916 -2.712 357 3HD1 LEU 43 3HD1 LEU 43 -11.873 -1.134 -2.051 358 1HD2 LEU 43 1HD2 LEU 43 -12.926 -4.513 -3.054 359 2HD2 LEU 43 2HD2 LEU 43 -11.429 -3.656 -2.689 360 3HD2 LEU 43 3HD2 LEU 43 -12.588 -2.964 -3.824 361 H GLY 44 H GLY 44 -13.720 -4.648 2.200 362 1HA GLY 44 2HA GLY 44 -11.259 -5.321 3.495 363 2HA GLY 44 1HA GLY 44 -12.850 -5.368 4.257 364 H GLU 45 H GLU 45 -13.928 -7.275 2.288 365 HA GLU 45 HA GLU 45 -13.332 -9.739 3.612 366 1HB GLU 45 2HB GLU 45 -15.308 -8.905 2.071 367 2HB GLU 45 1HB GLU 45 -14.326 -9.594 0.777 368 1HG GLU 45 2HG GLU 45 -14.378 -11.769 1.762 369 2HG GLU 45 1HG GLU 45 -15.025 -11.142 3.279 370 H MET 46 H MET 46 -12.386 -8.637 0.333 371 HA MET 46 HA MET 46 -10.629 -10.833 -0.232 372 1HB MET 46 2HB MET 46 -10.674 -7.968 -1.236 373 2HB MET 46 1HB MET 46 -9.829 -9.301 -2.022 374 1HG MET 46 2HG MET 46 -12.041 -10.508 -2.169 375 2HG MET 46 1HG MET 46 -12.816 -9.032 -1.594 376 1HE MET 46 1HE MET 46 -12.508 -11.032 -4.355 377 2HE MET 46 2HE MET 46 -12.960 -9.927 -5.650 378 3HE MET 46 3HE MET 46 -13.953 -10.023 -4.198 379 H TRP 47 H TRP 47 -10.205 -7.912 1.659 380 HA TRP 47 HA TRP 47 -7.281 -7.940 1.603 381 1HB TRP 47 2HB TRP 47 -8.692 -5.919 1.953 382 2HB TRP 47 1HB TRP 47 -9.272 -6.606 3.470 383 HD1 TRP 47 HD TRP 47 -7.886 -6.126 5.555 384 HE1 TRP 47 1HE TRP 47 -5.548 -5.143 6.019 385 HE3 TRP 47 3HE TRP 47 -6.115 -5.769 0.779 386 HZ2 TRP 47 2HZ TRP 47 -3.233 -4.315 4.557 387 HZ3 TRP 47 3HZ TRP 47 -3.843 -4.881 0.343 388 HH2 TRP 47 HH TRP 47 -2.400 -4.154 2.224 389 H SER 48 H SER 48 -9.819 -9.082 3.836 390 HA SER 48 HA SER 48 -7.903 -10.001 5.848 391 1HB SER 48 2HB SER 48 -10.867 -10.088 5.374 392 2HB SER 48 1HB SER 48 -10.166 -11.110 6.625 393 HG SER 48 HG SER 48 -10.570 -9.225 7.637 394 H GLU 49 H GLU 49 -9.491 -11.368 3.033 395 HA GLU 49 HA GLU 49 -9.172 -14.160 3.726 396 1HB GLU 49 2HB GLU 49 -9.636 -12.548 1.218 397 2HB GLU 49 1HB GLU 49 -9.405 -14.295 1.129 398 1HG GLU 49 2HG GLU 49 -11.403 -13.091 3.040 399 2HG GLU 49 1HG GLU 49 -11.832 -13.411 1.360 400 H GLN 50 H GLN 50 -7.240 -11.864 1.792 401 HA GLN 50 HA GLN 50 -5.207 -13.611 0.873 402 1HB GLN 50 2HB GLN 50 -5.155 -10.698 1.722 403 2HB GLN 50 1HB GLN 50 -3.865 -11.479 0.805 404 1HG GLN 50 2HG GLN 50 -6.706 -11.640 -0.169 405 2HG GLN 50 1HG GLN 50 -5.745 -10.196 -0.490 406 1HE2 GLN 50 1HE2 GLN 50 -5.118 -10.418 -2.661 407 2HE2 GLN 50 2HE2 GLN 50 -4.363 -11.796 -3.304 408 H SER 51 H SER 51 -3.083 -14.047 1.715 409 HA SER 51 HA SER 51 -2.992 -14.248 4.675 410 1HB SER 51 2HB SER 51 -1.116 -15.308 2.537 411 2HB SER 51 1HB SER 51 -1.233 -15.860 4.205 412 HG SER 51 HG SER 51 -2.397 -17.076 2.465 413 H ALA 52 H ALA 52 -0.009 -14.300 4.630 414 HA ALA 52 HA ALA 52 0.435 -11.372 4.769 415 1HB ALA 52 1HB ALA 52 2.198 -13.730 5.509 416 2HB ALA 52 2HB ALA 52 1.044 -12.966 6.602 417 3HB ALA 52 3HB ALA 52 2.432 -12.055 6.007 418 H LYS 53 H LYS 53 0.167 -12.410 2.095 419 HA LYS 53 HA LYS 53 2.989 -12.217 1.091 420 1HB LYS 53 2HB LYS 53 0.582 -13.843 0.348 421 2HB LYS 53 1HB LYS 53 1.719 -13.405 -0.928 422 1HG LYS 53 2HG LYS 53 2.653 -15.400 -0.190 423 2HG LYS 53 1HG LYS 53 3.517 -14.241 0.822 424 1HD LYS 53 2HD LYS 53 2.266 -14.759 2.721 425 2HD LYS 53 1HD LYS 53 0.907 -15.375 1.780 426 1HE LYS 53 2HE LYS 53 3.528 -16.806 1.531 427 2HE LYS 53 1HE LYS 53 2.568 -17.062 3.002 428 1HZ LYS 53 1HZ LYS 53 1.896 -18.596 1.246 429 2HZ LYS 53 2HZ LYS 53 1.555 -17.290 0.215 430 3HZ LYS 53 3HZ LYS 53 0.637 -17.524 1.625 431 H ASP 54 H ASP 54 -0.418 -11.517 0.234 432 HA ASP 54 HA ASP 54 0.116 -9.758 -1.952 433 1HB ASP 54 2HB ASP 54 -2.057 -10.885 -1.184 434 2HB ASP 54 1HB ASP 54 -2.202 -9.572 -0.015 435 H LYS 55 H LYS 55 0.161 -9.218 1.528 436 HA LYS 55 HA LYS 55 0.155 -6.290 1.299 437 1HB LYS 55 2HB LYS 55 -0.549 -8.062 3.217 438 2HB LYS 55 1HB LYS 55 1.084 -7.682 3.757 439 1HG LYS 55 2HG LYS 55 0.468 -5.231 3.539 440 2HG LYS 55 1HG LYS 55 -1.200 -5.750 3.298 441 1HD LYS 55 2HD LYS 55 -1.046 -5.325 5.626 442 2HD LYS 55 1HD LYS 55 -0.915 -7.080 5.487 443 1HE LYS 55 2HE LYS 55 1.652 -6.680 5.391 444 2HE LYS 55 1HE LYS 55 1.274 -5.074 6.044 445 1HZ LYS 55 1HZ LYS 55 0.343 -7.653 7.193 446 2HZ LYS 55 2HZ LYS 55 0.018 -6.107 7.817 447 3HZ LYS 55 3HZ LYS 55 1.606 -6.710 7.819 448 H GLN 56 H GLN 56 2.556 -8.862 1.748 449 HA GLN 56 HA GLN 56 4.836 -7.582 2.609 450 1HB GLN 56 2HB GLN 56 4.177 -9.781 0.748 451 2HB GLN 56 1HB GLN 56 5.817 -9.150 0.594 452 1HG GLN 56 2HG GLN 56 5.793 -9.314 3.232 453 2HG GLN 56 1HG GLN 56 4.512 -10.490 2.939 454 1HE2 GLN 56 1HE2 GLN 56 7.540 -10.708 3.756 455 2HE2 GLN 56 2HE2 GLN 56 8.123 -11.917 2.717 456 HA PRO 57 HA PRO 57 5.944 -5.778 -1.647 457 1HB PRO 57 2HB PRO 57 4.209 -5.988 -3.731 458 2HB PRO 57 1HB PRO 57 5.405 -7.243 -3.348 459 1HG PRO 57 2HG PRO 57 2.499 -7.171 -2.806 460 2HG PRO 57 1HG PRO 57 3.533 -8.545 -3.214 461 1HD PRO 57 2HD PRO 57 2.624 -7.931 -0.674 462 2HD PRO 57 1HD PRO 57 4.035 -8.947 -1.039 463 H TYR 58 H TYR 58 2.438 -5.634 -1.056 464 HA TYR 58 HA TYR 58 2.226 -2.849 -1.963 465 1HB TYR 58 2HB TYR 58 0.567 -5.092 -1.632 466 2HB TYR 58 1HB TYR 58 -0.021 -3.930 -0.447 467 HD1 TYR 58 1HD TYR 58 -0.588 -1.568 -1.222 468 HD2 TYR 58 2HD TYR 58 0.152 -4.805 -3.948 469 HE1 TYR 58 1HE TYR 58 -1.708 -0.300 -3.036 470 HE2 TYR 58 2HE TYR 58 -0.967 -3.536 -5.760 471 HH TYR 58 HH TYR 58 -2.928 -1.465 -5.610 472 H GLU 59 H GLU 59 3.401 -4.129 0.914 473 HA GLU 59 HA GLU 59 2.148 -2.053 2.639 474 1HB GLU 59 2HB GLU 59 3.103 -3.384 4.453 475 2HB GLU 59 1HB GLU 59 2.292 -4.454 3.322 476 1HG GLU 59 2HG GLU 59 4.230 -5.633 3.315 477 2HG GLU 59 1HG GLU 59 4.845 -4.346 2.282 478 H GLN 60 H GLN 60 5.183 -2.811 1.063 479 HA GLN 60 HA GLN 60 6.849 -1.035 2.647 480 1HB GLN 60 2HB GLN 60 8.464 -1.469 0.806 481 2HB GLN 60 1HB GLN 60 7.717 -2.956 1.386 482 1HG GLN 60 2HG GLN 60 6.324 -3.138 -0.509 483 2HG GLN 60 1HG GLN 60 6.549 -1.447 -0.951 484 1HE2 GLN 60 1HE2 GLN 60 8.503 -4.456 -0.537 485 2HE2 GLN 60 2HE2 GLN 60 9.565 -4.114 -1.817 486 H LYS 61 H LYS 61 4.660 -0.580 -0.026 487 HA LYS 61 HA LYS 61 5.733 1.780 -1.224 488 1HB LYS 61 2HB LYS 61 3.928 0.418 -2.177 489 2HB LYS 61 1HB LYS 61 2.884 0.803 -0.811 490 1HG LYS 61 2HG LYS 61 2.583 3.022 -1.497 491 2HG LYS 61 1HG LYS 61 4.040 3.014 -2.495 492 1HD LYS 61 2HD LYS 61 2.776 1.144 -3.837 493 2HD LYS 61 1HD LYS 61 1.339 1.834 -3.080 494 1HE LYS 61 2HE LYS 61 2.253 4.125 -3.910 495 2HE LYS 61 1HE LYS 61 3.270 3.153 -4.992 496 1HZ LYS 61 1HZ LYS 61 0.314 2.967 -4.727 497 2HZ LYS 61 2HZ LYS 61 1.272 1.957 -5.701 498 3HZ LYS 61 3HZ LYS 61 1.156 3.616 -6.049 499 H ALA 62 H ALA 62 3.503 1.397 1.553 500 HA ALA 62 HA ALA 62 3.304 4.280 1.983 501 1HB ALA 62 1HB ALA 62 2.515 1.773 3.485 502 2HB ALA 62 2HB ALA 62 1.463 2.910 2.640 503 3HB ALA 62 3HB ALA 62 2.235 3.380 4.154 504 H ALA 63 H ALA 63 5.674 1.893 2.726 505 HA ALA 63 HA ALA 63 6.662 2.743 5.255 506 1HB ALA 63 1HB ALA 63 8.290 1.823 2.864 507 2HB ALA 63 2HB ALA 63 7.303 0.724 3.827 508 3HB ALA 63 3HB ALA 63 8.660 1.572 4.571 509 H LYS 64 H LYS 64 7.262 3.977 1.951 510 HA LYS 64 HA LYS 64 9.258 5.925 2.682 511 1HB LYS 64 2HB LYS 64 8.979 5.138 0.414 512 2HB LYS 64 1HB LYS 64 7.288 5.606 0.416 513 1HG LYS 64 2HG LYS 64 7.790 7.689 -0.260 514 2HG LYS 64 1HG LYS 64 8.931 7.893 1.069 515 1HD LYS 64 2HD LYS 64 10.145 8.133 -1.021 516 2HD LYS 64 1HD LYS 64 10.626 6.612 -0.267 517 1HE LYS 64 2HE LYS 64 9.289 5.322 -1.769 518 2HE LYS 64 1HE LYS 64 8.416 6.758 -2.339 519 1HZ LYS 64 1HZ LYS 64 10.139 6.225 -3.909 520 2HZ LYS 64 2HZ LYS 64 11.314 6.195 -2.683 521 3HZ LYS 64 3HZ LYS 64 10.561 7.658 -3.107 522 H LEU 65 H LEU 65 5.845 6.379 1.736 523 HA LEU 65 HA LEU 65 5.399 9.026 2.394 524 1HB LEU 65 2HB LEU 65 3.693 6.557 2.740 525 2HB LEU 65 1HB LEU 65 3.044 8.179 2.969 526 HG LEU 65 HG LEU 65 4.522 8.218 0.525 527 1HD1 LEU 65 1HD1 LEU 65 3.691 6.433 -0.756 528 2HD1 LEU 65 2HD1 LEU 65 2.420 6.063 0.410 529 3HD1 LEU 65 3HD1 LEU 65 4.097 5.660 0.777 530 1HD2 LEU 65 1HD2 LEU 65 1.615 8.372 1.316 531 2HD2 LEU 65 2HD2 LEU 65 2.091 8.447 -0.380 532 3HD2 LEU 65 3HD2 LEU 65 2.675 9.664 0.754 533 H LYS 66 H LYS 66 5.951 6.458 4.728 534 HA LYS 66 HA LYS 66 4.850 7.843 7.044 535 1HB LYS 66 2HB LYS 66 5.224 5.396 6.884 536 2HB LYS 66 1HB LYS 66 6.962 5.671 6.784 537 1HG LYS 66 2HG LYS 66 7.128 6.309 9.007 538 2HG LYS 66 1HG LYS 66 5.456 6.867 9.079 539 1HD LYS 66 2HD LYS 66 4.679 4.514 8.957 540 2HD LYS 66 1HD LYS 66 6.359 3.975 8.945 541 1HE LYS 66 2HE LYS 66 6.738 4.771 11.168 542 2HE LYS 66 1HE LYS 66 5.228 5.705 11.165 543 1HZ LYS 66 1HZ LYS 66 4.990 3.550 12.304 544 2HZ LYS 66 2HZ LYS 66 5.396 2.753 10.858 545 3HZ LYS 66 3HZ LYS 66 3.975 3.678 10.951 546 H GLU 67 H GLU 67 8.093 7.439 5.629 547 HA GLU 67 HA GLU 67 9.352 9.278 7.546 548 1HB GLU 67 2HB GLU 67 10.143 7.631 5.156 549 2HB GLU 67 1HB GLU 67 11.245 8.874 5.753 550 1HG GLU 67 2HG GLU 67 10.035 6.985 7.734 551 2HG GLU 67 1HG GLU 67 11.346 6.397 6.709 552 H LYS 68 H LYS 68 7.526 9.629 4.669 553 HA LYS 68 HA LYS 68 8.860 12.167 3.872 554 1HB LYS 68 2HB LYS 68 7.756 10.048 2.490 555 2HB LYS 68 1HB LYS 68 6.440 11.220 2.462 556 1HG LYS 68 2HG LYS 68 7.770 11.677 0.525 557 2HG LYS 68 1HG LYS 68 8.155 12.942 1.692 558 1HD LYS 68 2HD LYS 68 10.303 12.330 1.160 559 2HD LYS 68 1HD LYS 68 10.004 11.128 2.417 560 1HE LYS 68 2HE LYS 68 10.745 9.746 0.686 561 2HE LYS 68 1HE LYS 68 9.002 9.753 0.350 562 1HZ LYS 68 1HZ LYS 68 11.000 11.627 -0.804 563 2HZ LYS 68 2HZ LYS 68 9.327 11.672 -1.092 564 3HZ LYS 68 3HZ LYS 68 10.250 10.352 -1.633 565 H TYR 69 H TYR 69 5.883 10.858 5.241 566 HA TYR 69 HA TYR 69 4.422 13.388 5.204 567 1HB TYR 69 2HB TYR 69 3.315 11.191 5.127 568 2HB TYR 69 1HB TYR 69 4.039 10.753 6.674 569 HD1 TYR 69 1HD TYR 69 1.459 12.771 5.001 570 HD2 TYR 69 2HD TYR 69 3.288 11.801 8.765 571 HE1 TYR 69 1HE TYR 69 -0.435 13.837 6.197 572 HE2 TYR 69 2HE TYR 69 1.393 12.865 9.959 573 HH TYR 69 HH TYR 69 -1.169 13.326 9.298 574 H GLU 70 H GLU 70 5.959 11.389 7.761 575 HA GLU 70 HA GLU 70 5.613 13.380 9.844 576 1HB GLU 70 2HB GLU 70 7.281 10.889 9.463 577 2HB GLU 70 1HB GLU 70 7.365 11.838 10.947 578 1HG GLU 70 2HG GLU 70 4.974 11.549 11.321 579 2HG GLU 70 1HG GLU 70 4.805 10.707 9.779 580 H LYS 71 H LYS 71 7.766 13.295 7.184 581 HA LYS 71 HA LYS 71 9.809 14.927 8.638 582 1HB LYS 71 2HB LYS 71 10.394 12.785 7.396 583 2HB LYS 71 1HB LYS 71 9.967 13.628 5.906 584 1HG LYS 71 2HG LYS 71 11.674 15.303 6.291 585 2HG LYS 71 1HG LYS 71 12.020 14.644 7.891 586 1HD LYS 71 2HD LYS 71 12.263 12.914 5.436 587 2HD LYS 71 1HD LYS 71 13.585 13.974 5.924 588 1HE LYS 71 2HE LYS 71 12.314 12.133 7.946 589 2HE LYS 71 1HE LYS 71 13.575 11.533 6.851 590 1HZ LYS 71 1HZ LYS 71 14.556 12.461 8.860 591 2HZ LYS 71 2HZ LYS 71 13.780 13.945 8.578 592 3HZ LYS 71 3HZ LYS 71 14.978 13.393 7.507 593 H ASP 72 H ASP 72 7.634 14.892 5.834 594 HA ASP 72 HA ASP 72 8.540 17.507 4.854 595 1HB ASP 72 2HB ASP 72 7.655 15.554 3.489 596 2HB ASP 72 1HB ASP 72 6.058 15.920 4.145 597 H ILE 73 H ILE 73 5.910 16.254 6.864 598 HA ILE 73 HA ILE 73 4.284 18.639 6.820 599 HB ILE 73 HB ILE 73 3.620 16.279 7.460 600 1HG1 ILE 73 2HG1 ILE 73 2.290 17.140 9.549 601 2HG1 ILE 73 1HG1 ILE 73 3.021 18.695 9.147 602 1HG2 ILE 73 1HG2 ILE 73 4.143 15.396 9.598 603 2HG2 ILE 73 2HG2 ILE 73 4.756 16.945 10.178 604 3HG2 ILE 73 3HG2 ILE 73 5.678 16.021 8.991 605 1HD1 ILE 73 1HD1 ILE 73 0.750 18.243 8.076 606 2HD1 ILE 73 2HD1 ILE 73 1.552 17.006 7.108 607 3HD1 ILE 73 3HD1 ILE 73 2.040 18.694 6.961 608 H ALA 74 H ALA 74 7.241 17.840 8.463 609 HA ALA 74 HA ALA 74 7.009 19.533 10.775 610 1HB ALA 74 1HB ALA 74 9.329 18.527 9.096 611 2HB ALA 74 2HB ALA 74 8.729 17.844 10.607 612 3HB ALA 74 3HB ALA 74 9.554 19.404 10.610 613 H ALA 75 H ALA 75 7.917 20.097 7.415 614 HA ALA 75 HA ALA 75 8.724 22.887 7.870 615 1HB ALA 75 1HB ALA 75 9.778 21.470 6.163 616 2HB ALA 75 2HB ALA 75 8.952 22.820 5.386 617 3HB ALA 75 3HB ALA 75 8.217 21.216 5.386 618 H TYR 76 H TYR 76 5.754 21.188 7.355 619 HA TYR 76 HA TYR 76 4.369 23.523 6.167 620 1HB TYR 76 2HB TYR 76 4.089 21.066 5.501 621 2HB TYR 76 1HB TYR 76 3.248 20.848 7.037 622 HD1 TYR 76 1HD TYR 76 3.263 23.152 4.072 623 HD2 TYR 76 2HD TYR 76 0.941 21.172 7.096 624 HE1 TYR 76 1HE TYR 76 1.183 24.050 3.064 625 HE2 TYR 76 2HE TYR 76 -1.139 22.071 6.087 626 HH TYR 76 HH TYR 76 -1.266 23.398 3.015 627 H ARG 77 H ARG 77 5.449 23.612 8.956 628 HA ARG 77 HA ARG 77 2.900 24.313 10.324 629 1HB ARG 77 2HB ARG 77 5.200 22.652 11.417 630 2HB ARG 77 1HB ARG 77 3.839 23.221 12.382 631 1HG ARG 77 2HG ARG 77 2.282 22.009 10.886 632 2HG ARG 77 1HG ARG 77 3.657 21.408 9.960 633 1HD ARG 77 2HD ARG 77 2.999 19.687 11.563 634 2HD ARG 77 1HD ARG 77 4.539 20.381 12.107 635 HE ARG 77 HE ARG 77 3.361 21.567 13.838 636 1HH1 ARG 77 1HH1 ARG 77 1.856 18.799 13.422 637 2HH1 ARG 77 2HH1 ARG 77 0.231 19.337 13.691 638 1HH2 ARG 77 1HH2 ARG 77 1.025 22.704 13.453 639 2HH2 ARG 77 2HH2 ARG 77 -0.239 21.547 13.708 640 H ALA 78 H ALA 78 5.799 24.442 12.238 641 HA ALA 78 HA ALA 78 6.390 27.234 11.394 642 1HB ALA 78 1HB ALA 78 4.585 27.183 13.142 643 2HB ALA 78 2HB ALA 78 6.044 28.015 13.680 644 3HB ALA 78 3HB ALA 78 5.716 26.371 14.225 645 H LYS 79 H LYS 79 8.100 25.147 10.878 646 HA LYS 79 HA LYS 79 10.034 24.866 13.098 647 1HB LYS 79 2HB LYS 79 9.300 23.528 10.614 648 2HB LYS 79 1HB LYS 79 11.046 23.743 10.726 649 1HG LYS 79 2HG LYS 79 10.595 21.661 11.795 650 2HG LYS 79 1HG LYS 79 10.865 22.813 13.103 651 1HD LYS 79 2HD LYS 79 8.069 22.516 12.110 652 2HD LYS 79 1HD LYS 79 8.731 21.189 13.065 653 1HE LYS 79 2HE LYS 79 9.522 23.173 14.658 654 2HE LYS 79 1HE LYS 79 8.157 24.010 13.893 655 1HZ LYS 79 1HZ LYS 79 6.713 22.204 14.440 656 2HZ LYS 79 2HZ LYS 79 7.512 22.673 15.865 657 3HZ LYS 79 3HZ LYS 79 8.000 21.273 15.035 Start of MODEL 26 1 1H MET 1 1HT MET 1 -3.597 9.746 -8.545 2 2H MET 1 2HT MET 1 -3.279 11.047 -7.500 3 3H MET 1 3HT MET 1 -2.738 11.094 -9.109 4 HA MET 1 HA MET 1 -4.944 11.295 -9.947 5 1HB MET 1 2HB MET 1 -6.838 11.134 -8.334 6 2HB MET 1 1HB MET 1 -5.891 9.649 -8.398 7 1HG MET 1 2HG MET 1 -5.079 9.912 -6.273 8 2HG MET 1 1HG MET 1 -5.002 11.666 -6.411 9 1HE MET 1 1HE MET 1 -8.715 9.099 -5.750 10 2HE MET 1 2HE MET 1 -7.206 8.653 -4.958 11 3HE MET 1 3HE MET 1 -7.272 8.762 -6.716 12 H LYS 2 H LYS 2 -6.726 13.079 -8.844 13 HA LYS 2 HA LYS 2 -5.013 15.476 -8.420 14 1HB LYS 2 2HB LYS 2 -7.638 14.797 -9.592 15 2HB LYS 2 1HB LYS 2 -7.614 16.318 -8.701 16 1HG LYS 2 2HG LYS 2 -6.990 16.925 -10.904 17 2HG LYS 2 1HG LYS 2 -5.462 16.848 -10.026 18 1HD LYS 2 2HD LYS 2 -4.864 14.792 -10.996 19 2HD LYS 2 1HD LYS 2 -6.524 14.422 -11.463 20 1HE LYS 2 2HE LYS 2 -6.058 16.784 -12.817 21 2HE LYS 2 1HE LYS 2 -4.482 15.970 -12.896 22 1HZ LYS 2 1HZ LYS 2 -5.563 13.962 -13.641 23 2HZ LYS 2 2HZ LYS 2 -5.976 15.239 -14.683 24 3HZ LYS 2 3HZ LYS 2 -7.089 14.691 -13.523 25 H LYS 3 H LYS 3 -5.277 13.710 -6.179 26 HA LYS 3 HA LYS 3 -7.359 14.332 -4.351 27 1HB LYS 3 2HB LYS 3 -5.549 12.529 -4.270 28 2HB LYS 3 1HB LYS 3 -4.463 13.779 -3.662 29 1HG LYS 3 2HG LYS 3 -5.924 14.185 -1.755 30 2HG LYS 3 1HG LYS 3 -7.112 13.044 -2.385 31 1HD LYS 3 2HD LYS 3 -4.268 12.211 -1.806 32 2HD LYS 3 1HD LYS 3 -5.518 12.169 -0.563 33 1HE LYS 3 2HE LYS 3 -6.773 10.523 -1.706 34 2HE LYS 3 1HE LYS 3 -5.950 10.843 -3.246 35 1HZ LYS 3 1HZ LYS 3 -5.061 8.858 -2.150 36 2HZ LYS 3 2HZ LYS 3 -4.646 9.789 -0.791 37 3HZ LYS 3 3HZ LYS 3 -3.885 10.073 -2.283 38 H LYS 4 H LYS 4 -4.053 15.724 -4.449 39 HA LYS 4 HA LYS 4 -5.105 18.354 -3.685 40 1HB LYS 4 2HB LYS 4 -3.669 16.445 -1.918 41 2HB LYS 4 1HB LYS 4 -3.144 18.127 -1.827 42 1HG LYS 4 2HG LYS 4 -5.529 18.804 -1.488 43 2HG LYS 4 1HG LYS 4 -5.967 17.097 -1.435 44 1HD LYS 4 2HD LYS 4 -5.698 17.814 0.844 45 2HD LYS 4 1HD LYS 4 -4.289 16.829 0.447 46 1HE LYS 4 2HE LYS 4 -2.954 18.849 0.032 47 2HE LYS 4 1HE LYS 4 -4.372 19.868 0.353 48 1HZ LYS 4 1HZ LYS 4 -3.157 17.925 2.249 49 2HZ LYS 4 2HZ LYS 4 -4.551 18.849 2.548 50 3HZ LYS 4 3HZ LYS 4 -3.045 19.613 2.357 51 H ASP 5 H ASP 5 -2.753 19.622 -3.091 52 HA ASP 5 HA ASP 5 -1.489 20.059 -5.590 53 1HB ASP 5 2HB ASP 5 -1.015 20.663 -2.719 54 2HB ASP 5 1HB ASP 5 0.368 20.876 -3.795 55 HA PRO 6 HA PRO 6 1.247 16.569 -5.828 56 1HB PRO 6 2HB PRO 6 3.067 17.531 -7.627 57 2HB PRO 6 1HB PRO 6 1.437 17.005 -8.093 58 1HG PRO 6 2HG PRO 6 2.495 19.753 -7.686 59 2HG PRO 6 1HG PRO 6 1.343 19.152 -8.888 60 1HD PRO 6 2HD PRO 6 0.622 20.533 -6.639 61 2HD PRO 6 1HD PRO 6 -0.440 19.386 -7.483 62 H ASN 7 H ASN 7 2.411 19.792 -5.064 63 HA ASN 7 HA ASN 7 5.084 18.958 -4.240 64 1HB ASN 7 2HB ASN 7 4.200 21.235 -5.107 65 2HB ASN 7 1HB ASN 7 3.633 21.486 -3.456 66 1HD2 ASN 7 1HD2 ASN 7 5.455 21.002 -1.724 67 2HD2 ASN 7 2HD2 ASN 7 7.004 21.583 -2.106 68 H ALA 8 H ALA 8 1.952 18.952 -2.715 69 HA ALA 8 HA ALA 8 3.193 18.799 -0.003 70 1HB ALA 8 1HB ALA 8 0.863 19.202 0.740 71 2HB ALA 8 2HB ALA 8 0.321 19.130 -0.938 72 3HB ALA 8 3HB ALA 8 1.381 20.437 -0.407 73 HA PRO 9 HA PRO 9 2.481 14.401 -0.351 74 1HB PRO 9 2HB PRO 9 2.942 13.696 2.247 75 2HB PRO 9 1HB PRO 9 4.245 14.090 1.109 76 1HG PRO 9 2HG PRO 9 3.023 15.773 3.237 77 2HG PRO 9 1HG PRO 9 4.715 15.640 2.738 78 1HD PRO 9 2HD PRO 9 3.081 17.698 2.002 79 2HD PRO 9 1HD PRO 9 4.460 17.143 1.028 80 H LYS 10 H LYS 10 0.348 13.829 -0.602 81 HA LYS 10 HA LYS 10 -1.852 14.760 0.931 82 1HB LYS 10 2HB LYS 10 -3.063 12.950 -0.228 83 2HB LYS 10 1HB LYS 10 -1.945 13.748 -1.333 84 1HG LYS 10 2HG LYS 10 -0.378 11.749 -0.230 85 2HG LYS 10 1HG LYS 10 -1.954 10.973 -0.359 86 1HD LYS 10 2HD LYS 10 -2.021 11.897 -2.763 87 2HD LYS 10 1HD LYS 10 -0.294 12.202 -2.562 88 1HE LYS 10 2HE LYS 10 -0.005 9.776 -1.930 89 2HE LYS 10 1HE LYS 10 -1.706 9.519 -2.369 90 1HZ LYS 10 1HZ LYS 10 0.303 10.776 -4.160 91 2HZ LYS 10 2HZ LYS 10 -1.292 10.342 -4.557 92 3HZ LYS 10 3HZ LYS 10 -0.134 9.139 -4.237 93 H ARG 11 H ARG 11 -3.264 12.400 1.680 94 HA ARG 11 HA ARG 11 -2.483 12.003 4.369 95 1HB ARG 11 2HB ARG 11 -4.206 10.590 2.356 96 2HB ARG 11 1HB ARG 11 -3.947 9.839 3.931 97 1HG ARG 11 2HG ARG 11 -5.296 11.327 4.979 98 2HG ARG 11 1HG ARG 11 -4.578 12.699 4.135 99 1HD ARG 11 2HD ARG 11 -5.930 11.704 2.065 100 2HD ARG 11 1HD ARG 11 -6.941 11.026 3.357 101 HE ARG 11 HE ARG 11 -6.252 13.855 3.726 102 1HH1 ARG 11 1HH2 ARG 11 -8.715 12.707 4.877 103 2HH1 ARG 11 2HH2 ARG 11 -9.946 13.262 3.793 104 1HH2 ARG 11 1HH1 ARG 11 -7.722 14.073 1.260 105 2HH2 ARG 11 2HH1 ARG 11 -9.384 14.036 1.745 106 HA PRO 12 HA PRO 12 0.800 9.062 3.960 107 1HB PRO 12 2HB PRO 12 0.750 7.938 6.450 108 2HB PRO 12 1HB PRO 12 1.383 9.567 6.140 109 1HG PRO 12 2HG PRO 12 -1.221 8.737 7.288 110 2HG PRO 12 1HG PRO 12 -0.210 10.136 7.664 111 1HD PRO 12 2HD PRO 12 -2.478 10.214 6.100 112 2HD PRO 12 1HD PRO 12 -1.173 11.418 6.055 113 HA PRO 13 HA PRO 13 -1.781 5.478 3.101 114 1HB PRO 13 2HB PRO 13 -0.016 4.154 1.489 115 2HB PRO 13 1HB PRO 13 -0.987 5.533 0.936 116 1HG PRO 13 2HG PRO 13 1.880 5.398 1.602 117 2HG PRO 13 1HG PRO 13 1.024 6.471 0.487 118 1HD PRO 13 2HD PRO 13 1.921 7.110 3.073 119 2HD PRO 13 1HD PRO 13 0.830 8.078 2.064 120 H SER 14 H SER 14 -1.282 2.960 3.204 121 HA SER 14 HA SER 14 0.946 2.125 4.896 122 1HB SER 14 2HB SER 14 -0.663 3.420 6.388 123 2HB SER 14 1HB SER 14 -1.832 2.134 6.103 124 HG SER 14 HG SER 14 -0.350 0.673 6.991 125 H ALA 15 H ALA 15 0.409 0.944 2.551 126 HA ALA 15 HA ALA 15 0.064 -1.152 1.594 127 1HB ALA 15 1HB ALA 15 -1.109 -2.529 3.873 128 2HB ALA 15 2HB ALA 15 0.326 -1.628 4.361 129 3HB ALA 15 3HB ALA 15 0.434 -2.825 3.072 130 H PHE 16 H PHE 16 -2.572 -1.186 4.031 131 HA PHE 16 HA PHE 16 -4.642 -2.070 2.393 132 1HB PHE 16 2HB PHE 16 -4.557 -1.585 4.893 133 2HB PHE 16 1HB PHE 16 -4.906 0.094 4.488 134 HD1 PHE 16 1HD PHE 16 -6.150 -3.245 3.296 135 HD2 PHE 16 2HD PHE 16 -7.145 0.656 4.789 136 HE1 PHE 16 1HE PHE 16 -8.562 -3.785 3.096 137 HE2 PHE 16 2HE PHE 16 -9.558 0.117 4.590 138 HZ PHE 16 HZ PHE 16 -10.265 -2.104 3.741 139 H PHE 17 H PHE 17 -3.816 1.370 2.999 140 HA PHE 17 HA PHE 17 -5.763 2.532 1.268 141 1HB PHE 17 2HB PHE 17 -3.249 3.269 2.633 142 2HB PHE 17 1HB PHE 17 -3.577 4.221 1.185 143 HD1 PHE 17 1HD PHE 17 -4.622 3.466 4.603 144 HD2 PHE 17 2HD PHE 17 -5.681 5.530 0.989 145 HE1 PHE 17 1HE PHE 17 -6.302 4.794 5.854 146 HE2 PHE 17 2HE PHE 17 -7.361 6.858 2.240 147 HZ PHE 17 HZ PHE 17 -7.672 6.490 4.672 148 H LEU 18 H LEU 18 -2.440 1.416 0.639 149 HA LEU 18 HA LEU 18 -2.218 2.269 -2.073 150 1HB LEU 18 2HB LEU 18 -1.048 -0.190 -0.722 151 2HB LEU 18 1HB LEU 18 -0.406 0.609 -2.152 152 HG LEU 18 HG LEU 18 -0.561 1.772 0.651 153 1HD1 LEU 18 1HD1 LEU 18 1.658 0.757 -1.119 154 2HD1 LEU 18 2HD1 LEU 18 1.286 0.306 0.545 155 3HD1 LEU 18 3HD1 LEU 18 1.975 1.892 0.194 156 1HD2 LEU 18 1HD2 LEU 18 0.326 2.994 -1.985 157 2HD2 LEU 18 2HD2 LEU 18 0.714 3.687 -0.410 158 3HD2 LEU 18 3HD2 LEU 18 -0.967 3.568 -0.932 159 H PHE 19 H PHE 19 -3.310 -0.840 -0.689 160 HA PHE 19 HA PHE 19 -3.891 -2.131 -3.191 161 1HB PHE 19 2HB PHE 19 -3.570 -3.220 -0.966 162 2HB PHE 19 1HB PHE 19 -5.103 -2.531 -0.435 163 HD1 PHE 19 1HD PHE 19 -7.215 -3.100 -1.785 164 HD2 PHE 19 2HD PHE 19 -3.515 -5.245 -2.176 165 HE1 PHE 19 1HE PHE 19 -8.427 -5.005 -2.813 166 HE2 PHE 19 2HE PHE 19 -4.726 -7.149 -3.204 167 HZ PHE 19 HZ PHE 19 -7.183 -7.029 -3.523 168 H CYS 20 H CYS 20 -6.041 -0.498 -0.838 169 HA CYS 20 HA CYS 20 -8.442 -0.743 -2.406 170 1HB CYS 20 2HB CYS 20 -7.443 0.757 -0.035 171 2HB CYS 20 1HB CYS 20 -8.870 1.421 -0.828 172 HG CYS 20 HG CYS 20 -9.083 -0.765 1.048 173 H SER 21 H SER 21 -5.807 1.583 -2.393 174 HA SER 21 HA SER 21 -7.113 3.695 -3.852 175 1HB SER 21 2HB SER 21 -4.303 2.837 -3.236 176 2HB SER 21 1HB SER 21 -4.568 4.136 -4.394 177 HG SER 21 HG SER 21 -4.395 4.564 -1.963 178 H GLU 22 H GLU 22 -5.671 0.652 -4.855 179 HA GLU 22 HA GLU 22 -5.825 1.526 -7.712 180 1HB GLU 22 2HB GLU 22 -4.230 -0.317 -8.088 181 2HB GLU 22 1HB GLU 22 -3.638 0.775 -6.839 182 1HG GLU 22 2HG GLU 22 -4.279 -0.744 -5.090 183 2HG GLU 22 1HG GLU 22 -5.177 -1.758 -6.218 184 H TYR 23 H TYR 23 -7.068 -0.865 -5.402 185 HA TYR 23 HA TYR 23 -8.251 -2.558 -7.477 186 1HB TYR 23 2HB TYR 23 -8.029 -2.420 -4.513 187 2HB TYR 23 1HB TYR 23 -9.418 -3.301 -5.150 188 HD1 TYR 23 1HD TYR 23 -9.127 -5.323 -6.494 189 HD2 TYR 23 2HD TYR 23 -5.744 -3.183 -4.938 190 HE1 TYR 23 1HE TYR 23 -7.666 -7.258 -7.011 191 HE2 TYR 23 2HE TYR 23 -4.282 -5.118 -5.455 192 HH TYR 23 HH TYR 23 -5.249 -7.668 -7.455 193 H ARG 24 H ARG 24 -9.402 -0.019 -5.253 194 HA ARG 24 HA ARG 24 -12.164 -0.234 -5.488 195 1HB ARG 24 2HB ARG 24 -10.278 2.109 -5.325 196 2HB ARG 24 1HB ARG 24 -12.028 2.333 -5.325 197 1HG ARG 24 2HG ARG 24 -12.270 0.916 -3.369 198 2HG ARG 24 1HG ARG 24 -10.551 0.524 -3.398 199 1HD ARG 24 2HD ARG 24 -9.971 2.491 -2.392 200 2HD ARG 24 1HD ARG 24 -11.138 3.425 -3.348 201 HE ARG 24 HE ARG 24 -12.916 2.603 -1.818 202 1HH1 ARG 24 1HH2 ARG 24 -10.716 4.069 -0.222 203 2HH1 ARG 24 2HH2 ARG 24 -10.574 3.021 1.149 204 1HH2 ARG 24 1HH1 ARG 24 -12.271 0.394 -0.347 205 2HH2 ARG 24 2HH1 ARG 24 -11.453 0.940 1.078 206 HA PRO 25 HA PRO 25 -12.108 2.430 -9.556 207 1HB PRO 25 2HB PRO 25 -9.800 2.243 -11.046 208 2HB PRO 25 1HB PRO 25 -10.137 3.570 -9.914 209 1HG PRO 25 2HG PRO 25 -8.528 1.086 -9.480 210 2HG PRO 25 1HG PRO 25 -8.138 2.764 -9.058 211 1HD PRO 25 2HD PRO 25 -9.030 1.099 -7.207 212 2HD PRO 25 1HD PRO 25 -9.598 2.781 -7.233 213 H LYS 26 H LYS 26 -10.376 -0.593 -9.162 214 HA LYS 26 HA LYS 26 -11.142 -1.783 -11.710 215 1HB LYS 26 2HB LYS 26 -9.291 -2.406 -9.962 216 2HB LYS 26 1HB LYS 26 -10.607 -3.232 -9.118 217 1HG LYS 26 2HG LYS 26 -10.152 -3.722 -12.054 218 2HG LYS 26 1HG LYS 26 -9.187 -4.581 -10.853 219 1HD LYS 26 2HD LYS 26 -11.412 -5.196 -9.733 220 2HD LYS 26 1HD LYS 26 -12.186 -4.641 -11.218 221 1HE LYS 26 2HE LYS 26 -11.879 -6.941 -11.642 222 2HE LYS 26 1HE LYS 26 -10.431 -6.234 -12.386 223 1HZ LYS 26 1HZ LYS 26 -9.222 -6.578 -10.341 224 2HZ LYS 26 2HZ LYS 26 -9.879 -8.058 -10.858 225 3HZ LYS 26 3HZ LYS 26 -10.604 -7.203 -9.581 226 H ILE 27 H ILE 27 -12.289 -1.995 -8.352 227 HA ILE 27 HA ILE 27 -14.486 -3.727 -8.639 228 HB ILE 27 HB ILE 27 -14.073 -1.270 -6.898 229 1HG1 ILE 27 2HG1 ILE 27 -12.317 -3.010 -6.686 230 2HG1 ILE 27 1HG1 ILE 27 -13.275 -2.868 -5.218 231 1HG2 ILE 27 1HG2 ILE 27 -16.421 -1.845 -6.831 232 2HG2 ILE 27 2HG2 ILE 27 -15.677 -2.404 -5.333 233 3HG2 ILE 27 3HG2 ILE 27 -16.044 -3.555 -6.618 234 1HD1 ILE 27 1HD1 ILE 27 -13.566 -4.976 -7.371 235 2HD1 ILE 27 2HD1 ILE 27 -14.669 -4.790 -6.007 236 3HD1 ILE 27 3HD1 ILE 27 -12.981 -5.218 -5.725 237 H LYS 28 H LYS 28 -14.230 -0.268 -9.366 238 HA LYS 28 HA LYS 28 -17.044 0.240 -9.626 239 1HB LYS 28 2HB LYS 28 -14.818 1.682 -11.087 240 2HB LYS 28 1HB LYS 28 -16.344 2.343 -10.525 241 1HG LYS 28 2HG LYS 28 -13.821 1.843 -9.037 242 2HG LYS 28 1HG LYS 28 -14.931 3.183 -8.910 243 1HD LYS 28 2HD LYS 28 -15.279 0.419 -7.686 244 2HD LYS 28 1HD LYS 28 -14.974 1.925 -6.836 245 1HE LYS 28 2HE LYS 28 -17.345 1.985 -8.622 246 2HE LYS 28 1HE LYS 28 -17.481 0.916 -7.211 247 1HZ LYS 28 1HZ LYS 28 -16.705 2.716 -5.805 248 2HZ LYS 28 2HZ LYS 28 -18.100 3.196 -6.650 249 3HZ LYS 28 3HZ LYS 28 -16.571 3.745 -7.147 250 H SER 29 H SER 29 -14.614 -0.981 -11.874 251 HA SER 29 HA SER 29 -16.347 -0.728 -14.228 252 1HB SER 29 2HB SER 29 -13.774 -0.650 -14.041 253 2HB SER 29 1HB SER 29 -13.854 -2.405 -13.916 254 HG SER 29 HG SER 29 -14.437 -0.715 -16.061 255 H GLU 30 H GLU 30 -15.896 -3.096 -11.714 256 HA GLU 30 HA GLU 30 -17.307 -5.161 -13.370 257 1HB GLU 30 2HB GLU 30 -15.381 -5.284 -11.040 258 2HB GLU 30 1HB GLU 30 -16.275 -6.696 -11.605 259 1HG GLU 30 2HG GLU 30 -14.721 -5.035 -13.568 260 2HG GLU 30 1HG GLU 30 -13.885 -6.227 -12.573 261 H HIS 31 H HIS 31 -17.607 -3.109 -10.591 262 HA HIS 31 HA HIS 31 -19.974 -4.696 -9.642 263 1HB HIS 31 2HB HIS 31 -18.227 -2.726 -8.115 264 2HB HIS 31 1HB HIS 31 -19.471 -3.758 -7.437 265 HD1 HIS 31 1HD HIS 31 -16.255 -4.195 -9.417 266 HD2 HIS 31 2HD HIS 31 -18.475 -6.127 -6.469 267 HE1 HIS 31 1HE HIS 31 -14.881 -6.177 -8.672 268 HA PRO 32 HA PRO 32 -21.637 -0.747 -11.262 269 1HB PRO 32 2HB PRO 32 -23.973 -1.782 -12.244 270 2HB PRO 32 1HB PRO 32 -22.448 -1.772 -13.149 271 1HG PRO 32 2HG PRO 32 -23.808 -4.005 -11.774 272 2HG PRO 32 1HG PRO 32 -22.749 -4.017 -13.187 273 1HD PRO 32 2HD PRO 32 -22.023 -4.735 -10.589 274 2HD PRO 32 1HD PRO 32 -20.912 -4.388 -11.929 275 H GLY 33 H GLY 33 -24.242 -2.971 -10.189 276 1HA GLY 33 2HA GLY 33 -25.713 -1.021 -8.769 277 2HA GLY 33 1HA GLY 33 -25.829 -2.754 -8.470 278 H LEU 34 H LEU 34 -22.829 -2.702 -7.855 279 HA LEU 34 HA LEU 34 -22.877 -2.688 -5.038 280 1HB LEU 34 2HB LEU 34 -21.166 -3.679 -6.457 281 2HB LEU 34 1HB LEU 34 -20.669 -2.086 -7.019 282 HG LEU 34 HG LEU 34 -20.668 -2.497 -4.087 283 1HD1 LEU 34 1HD1 LEU 34 -18.364 -3.574 -5.682 284 2HD1 LEU 34 2HD1 LEU 34 -19.705 -4.622 -5.221 285 3HD1 LEU 34 3HD1 LEU 34 -18.739 -3.828 -3.978 286 1HD2 LEU 34 1HD2 LEU 34 -19.763 -0.459 -4.596 287 2HD2 LEU 34 2HD2 LEU 34 -19.203 -0.987 -6.180 288 3HD2 LEU 34 3HD2 LEU 34 -18.293 -1.417 -4.732 289 H SER 35 H SER 35 -23.984 -0.805 -4.265 290 HA SER 35 HA SER 35 -23.468 1.903 -4.931 291 1HB SER 35 2HB SER 35 -24.202 0.743 -2.224 292 2HB SER 35 1HB SER 35 -24.566 2.368 -2.798 293 HG SER 35 HG SER 35 -26.216 0.565 -2.990 294 H ILE 36 H ILE 36 -22.456 3.491 -3.196 295 HA ILE 36 HA ILE 36 -19.649 3.118 -3.070 296 HB ILE 36 HB ILE 36 -21.634 4.823 -1.547 297 1HG1 ILE 36 2HG1 ILE 36 -21.299 5.294 -3.947 298 2HG1 ILE 36 1HG1 ILE 36 -20.684 6.613 -2.956 299 1HG2 ILE 36 1HG2 ILE 36 -19.893 4.783 0.029 300 2HG2 ILE 36 2HG2 ILE 36 -19.477 6.184 -0.960 301 3HG2 ILE 36 3HG2 ILE 36 -18.643 4.650 -1.209 302 1HD1 ILE 36 1HD1 ILE 36 -18.763 6.396 -4.134 303 2HD1 ILE 36 2HD1 ILE 36 -19.242 4.825 -4.777 304 3HD1 ILE 36 3HD1 ILE 36 -18.486 4.933 -3.188 305 H GLY 37 H GLY 37 -21.893 3.005 -0.278 306 1HA GLY 37 2HA GLY 37 -20.151 2.045 1.668 307 2HA GLY 37 1HA GLY 37 -21.870 1.661 1.650 308 H ASP 38 H ASP 38 -21.857 0.170 -0.811 309 HA ASP 38 HA ASP 38 -21.123 -2.443 0.157 310 1HB ASP 38 2HB ASP 38 -21.873 -1.276 -2.537 311 2HB ASP 38 1HB ASP 38 -21.593 -3.003 -2.304 312 H THR 39 H THR 39 -19.546 -0.099 -1.975 313 HA THR 39 HA THR 39 -17.431 -1.737 -2.970 314 HB THR 39 HB THR 39 -16.842 1.101 -2.371 315 HG1 THR 39 1HG THR 39 -18.368 1.762 -3.979 316 1HG2 THR 39 1HG2 THR 39 -17.040 0.081 -5.134 317 2HG2 THR 39 2HG2 THR 39 -15.876 -0.750 -4.102 318 3HG2 THR 39 3HG2 THR 39 -15.744 0.990 -4.357 319 H ALA 40 H ALA 40 -17.735 0.133 0.032 320 HA ALA 40 HA ALA 40 -14.975 -0.292 0.871 321 1HB ALA 40 1HB ALA 40 -17.458 0.477 2.441 322 2HB ALA 40 2HB ALA 40 -16.451 1.612 1.542 323 3HB ALA 40 3HB ALA 40 -15.788 0.755 2.933 324 H LYS 41 H LYS 41 -18.118 -1.647 1.907 325 HA LYS 41 HA LYS 41 -16.899 -3.589 3.684 326 1HB LYS 41 2HB LYS 41 -19.211 -4.367 3.940 327 2HB LYS 41 1HB LYS 41 -19.150 -2.608 3.991 328 1HG LYS 41 2HG LYS 41 -19.670 -2.673 1.483 329 2HG LYS 41 1HG LYS 41 -20.051 -4.374 1.711 330 1HD LYS 41 2HD LYS 41 -22.101 -3.063 1.894 331 2HD LYS 41 1HD LYS 41 -21.698 -3.744 3.468 332 1HE LYS 41 2HE LYS 41 -20.379 -1.209 3.311 333 2HE LYS 41 1HE LYS 41 -22.053 -0.973 2.778 334 1HZ LYS 41 1HZ LYS 41 -22.768 -2.293 4.717 335 2HZ LYS 41 2HZ LYS 41 -21.978 -0.856 5.162 336 3HZ LYS 41 3HZ LYS 41 -21.162 -2.343 5.259 337 H LYS 42 H LYS 42 -17.357 -3.554 0.247 338 HA LYS 42 HA LYS 42 -17.555 -6.478 -0.032 339 1HB LYS 42 2HB LYS 42 -18.647 -4.895 -1.596 340 2HB LYS 42 1HB LYS 42 -17.072 -4.227 -2.015 341 1HG LYS 42 2HG LYS 42 -17.901 -5.871 -3.694 342 2HG LYS 42 1HG LYS 42 -16.370 -6.364 -2.963 343 1HD LYS 42 2HD LYS 42 -17.301 -8.181 -1.943 344 2HD LYS 42 1HD LYS 42 -18.779 -7.312 -1.531 345 1HE LYS 42 2HE LYS 42 -19.853 -8.011 -3.421 346 2HE LYS 42 1HE LYS 42 -18.406 -7.812 -4.429 347 1HZ LYS 42 1HZ LYS 42 -17.457 -9.781 -3.392 348 2HZ LYS 42 2HZ LYS 42 -18.940 -10.158 -4.132 349 3HZ LYS 42 3HZ LYS 42 -18.850 -9.982 -2.445 350 H LEU 43 H LEU 43 -15.161 -4.036 -1.125 351 HA LEU 43 HA LEU 43 -13.062 -5.709 -1.886 352 1HB LEU 43 2HB LEU 43 -13.233 -2.994 -0.600 353 2HB LEU 43 1HB LEU 43 -11.659 -3.690 -0.982 354 HG LEU 43 HG LEU 43 -13.833 -3.634 -3.062 355 1HD1 LEU 43 1HD1 LEU 43 -13.017 -1.463 -3.829 356 2HD1 LEU 43 2HD1 LEU 43 -11.838 -1.413 -2.520 357 3HD1 LEU 43 3HD1 LEU 43 -13.560 -1.320 -2.157 358 1HD2 LEU 43 1HD2 LEU 43 -11.510 -3.239 -4.352 359 2HD2 LEU 43 2HD2 LEU 43 -12.072 -4.853 -3.919 360 3HD2 LEU 43 3HD2 LEU 43 -10.879 -4.035 -2.910 361 H GLY 44 H GLY 44 -14.079 -4.892 1.390 362 1HA GLY 44 2HA GLY 44 -11.732 -5.744 2.787 363 2HA GLY 44 1HA GLY 44 -13.352 -5.674 3.481 364 H GLU 45 H GLU 45 -14.609 -7.491 1.664 365 HA GLU 45 HA GLU 45 -14.318 -9.981 2.913 366 1HB GLU 45 2HB GLU 45 -15.952 -8.939 1.073 367 2HB GLU 45 1HB GLU 45 -14.923 -9.871 -0.016 368 1HG GLU 45 2HG GLU 45 -16.709 -11.335 0.601 369 2HG GLU 45 1HG GLU 45 -15.307 -11.861 1.535 370 H MET 46 H MET 46 -12.463 -8.690 0.179 371 HA MET 46 HA MET 46 -11.041 -11.233 -0.265 372 1HB MET 46 2HB MET 46 -10.813 -8.427 -1.395 373 2HB MET 46 1HB MET 46 -9.878 -9.803 -1.981 374 1HG MET 46 2HG MET 46 -11.951 -10.995 -2.543 375 2HG MET 46 1HG MET 46 -12.906 -9.649 -1.922 376 1HE MET 46 1HE MET 46 -13.642 -10.642 -4.401 377 2HE MET 46 2HE MET 46 -12.145 -11.174 -5.163 378 3HE MET 46 3HE MET 46 -13.089 -9.882 -5.901 379 H TRP 47 H TRP 47 -10.312 -7.987 1.034 380 HA TRP 47 HA TRP 47 -7.534 -8.254 1.461 381 1HB TRP 47 2HB TRP 47 -8.934 -6.203 1.726 382 2HB TRP 47 1HB TRP 47 -9.580 -6.872 3.225 383 HD1 TRP 47 HD TRP 47 -8.315 -6.234 5.331 384 HE1 TRP 47 1HE TRP 47 -5.945 -5.378 5.878 385 HE3 TRP 47 3HE TRP 47 -6.229 -6.372 0.671 386 HZ2 TRP 47 2HZ TRP 47 -3.488 -4.825 4.519 387 HZ3 TRP 47 3HZ TRP 47 -3.876 -5.676 0.326 388 HH2 TRP 47 HH TRP 47 -2.503 -4.904 2.241 389 H SER 48 H SER 48 -10.159 -9.830 3.166 390 HA SER 48 HA SER 48 -8.437 -10.535 5.472 391 1HB SER 48 2HB SER 48 -10.915 -9.850 5.519 392 2HB SER 48 1HB SER 48 -11.255 -11.436 4.833 393 HG SER 48 HG SER 48 -10.421 -12.387 6.639 394 H GLU 49 H GLU 49 -9.899 -12.008 2.602 395 HA GLU 49 HA GLU 49 -9.389 -14.760 3.222 396 1HB GLU 49 2HB GLU 49 -9.726 -13.128 0.702 397 2HB GLU 49 1HB GLU 49 -9.436 -14.867 0.624 398 1HG GLU 49 2HG GLU 49 -11.621 -13.707 2.355 399 2HG GLU 49 1HG GLU 49 -11.895 -14.094 0.656 400 H GLN 50 H GLN 50 -7.387 -12.241 1.725 401 HA GLN 50 HA GLN 50 -5.225 -13.896 0.834 402 1HB GLN 50 2HB GLN 50 -3.981 -11.730 0.885 403 2HB GLN 50 1HB GLN 50 -5.569 -11.569 0.139 404 1HG GLN 50 2HG GLN 50 -6.479 -10.481 2.021 405 2HG GLN 50 1HG GLN 50 -5.190 -11.045 3.084 406 1HE2 GLN 50 1HE2 GLN 50 -5.379 -9.178 -0.013 407 2HE2 GLN 50 2HE2 GLN 50 -4.264 -7.993 0.471 408 H SER 51 H SER 51 -3.226 -14.384 1.857 409 HA SER 51 HA SER 51 -3.358 -14.511 4.831 410 1HB SER 51 2HB SER 51 -1.687 -16.259 4.534 411 2HB SER 51 1HB SER 51 -2.974 -16.527 3.361 412 HG SER 51 HG SER 51 -1.203 -16.606 2.134 413 H ALA 52 H ALA 52 -0.428 -14.764 5.047 414 HA ALA 52 HA ALA 52 0.245 -11.909 5.191 415 1HB ALA 52 1HB ALA 52 2.344 -12.891 6.201 416 2HB ALA 52 2HB ALA 52 1.690 -14.492 5.859 417 3HB ALA 52 3HB ALA 52 0.858 -13.423 6.987 418 H LYS 53 H LYS 53 -0.108 -12.282 2.544 419 HA LYS 53 HA LYS 53 2.678 -12.379 1.445 420 1HB LYS 53 2HB LYS 53 0.145 -13.757 0.547 421 2HB LYS 53 1HB LYS 53 1.464 -13.458 -0.585 422 1HG LYS 53 2HG LYS 53 3.014 -14.628 1.004 423 2HG LYS 53 1HG LYS 53 1.615 -15.043 1.994 424 1HD LYS 53 2HD LYS 53 0.682 -16.418 0.308 425 2HD LYS 53 1HD LYS 53 1.716 -15.727 -0.944 426 1HE LYS 53 2HE LYS 53 3.696 -16.680 0.443 427 2HE LYS 53 1HE LYS 53 2.461 -17.682 1.233 428 1HZ LYS 53 1HZ LYS 53 1.687 -18.382 -0.952 429 2HZ LYS 53 2HZ LYS 53 3.323 -18.788 -0.738 430 3HZ LYS 53 3HZ LYS 53 2.894 -17.454 -1.700 431 H ASP 54 H ASP 54 -0.711 -11.432 0.810 432 HA ASP 54 HA ASP 54 -0.171 -9.613 -1.334 433 1HB ASP 54 2HB ASP 54 -2.368 -10.673 -0.472 434 2HB ASP 54 1HB ASP 54 -2.398 -9.347 0.690 435 H LYS 55 H LYS 55 -0.081 -9.217 2.183 436 HA LYS 55 HA LYS 55 0.395 -6.292 1.892 437 1HB LYS 55 2HB LYS 55 -1.257 -7.193 3.518 438 2HB LYS 55 1HB LYS 55 0.043 -8.056 4.337 439 1HG LYS 55 2HG LYS 55 1.008 -6.091 5.146 440 2HG LYS 55 1HG LYS 55 0.280 -5.094 3.886 441 1HD LYS 55 2HD LYS 55 -1.138 -4.527 5.600 442 2HD LYS 55 1HD LYS 55 -1.966 -5.992 5.069 443 1HE LYS 55 2HE LYS 55 -0.535 -7.276 6.744 444 2HE LYS 55 1HE LYS 55 -0.041 -5.700 7.393 445 1HZ LYS 55 1HZ LYS 55 -2.318 -5.114 7.750 446 2HZ LYS 55 2HZ LYS 55 -2.052 -6.623 8.483 447 3HZ LYS 55 3HZ LYS 55 -2.866 -6.530 6.994 448 H GLN 56 H GLN 56 2.415 -8.579 1.268 449 HA GLN 56 HA GLN 56 4.491 -8.029 3.310 450 1HB GLN 56 2HB GLN 56 3.903 -10.050 1.242 451 2HB GLN 56 1HB GLN 56 5.616 -9.671 1.418 452 1HG GLN 56 2HG GLN 56 5.091 -9.896 3.995 453 2HG GLN 56 1HG GLN 56 3.720 -10.850 3.423 454 1HE2 GLN 56 1HE2 GLN 56 7.233 -10.785 3.703 455 2HE2 GLN 56 2HE2 GLN 56 7.490 -12.373 3.160 456 HA PRO 57 HA PRO 57 6.764 -6.258 -0.442 457 1HB PRO 57 2HB PRO 57 5.658 -6.296 -2.924 458 2HB PRO 57 1HB PRO 57 6.592 -7.655 -2.269 459 1HG PRO 57 2HG PRO 57 3.667 -7.326 -2.541 460 2HG PRO 57 1HG PRO 57 4.655 -8.784 -2.695 461 1HD PRO 57 2HD PRO 57 3.135 -8.110 -0.488 462 2HD PRO 57 1HD PRO 57 4.496 -9.249 -0.488 463 H TYR 58 H TYR 58 3.269 -5.764 -0.517 464 HA TYR 58 HA TYR 58 3.460 -3.045 -1.604 465 1HB TYR 58 2HB TYR 58 1.550 -5.079 -1.393 466 2HB TYR 58 1HB TYR 58 0.945 -3.815 -0.324 467 HD1 TYR 58 1HD TYR 58 2.561 -4.118 -3.704 468 HD2 TYR 58 2HD TYR 58 -0.405 -2.177 -1.277 469 HE1 TYR 58 1HE TYR 58 1.798 -2.819 -5.675 470 HE2 TYR 58 2HE TYR 58 -1.167 -0.880 -3.248 471 HH TYR 58 HH TYR 58 0.330 -0.216 -5.702 472 H GLU 59 H GLU 59 3.453 -4.459 1.598 473 HA GLU 59 HA GLU 59 2.424 -2.170 3.029 474 1HB GLU 59 2HB GLU 59 3.247 -3.387 4.979 475 2HB GLU 59 1HB GLU 59 2.540 -4.521 3.842 476 1HG GLU 59 2HG GLU 59 4.498 -5.665 4.131 477 2HG GLU 59 1HG GLU 59 5.131 -4.496 2.975 478 H GLN 60 H GLN 60 5.614 -2.977 1.781 479 HA GLN 60 HA GLN 60 7.041 -1.001 3.393 480 1HB GLN 60 2HB GLN 60 8.913 -1.649 1.918 481 2HB GLN 60 1HB GLN 60 8.056 -3.075 2.497 482 1HG GLN 60 2HG GLN 60 6.678 -2.473 0.184 483 2HG GLN 60 1HG GLN 60 8.329 -2.032 -0.245 484 1HE2 GLN 60 1HE2 GLN 60 9.000 -3.824 -1.490 485 2HE2 GLN 60 2HE2 GLN 60 8.967 -5.428 -0.936 486 H LYS 61 H LYS 61 5.212 -0.932 0.435 487 HA LYS 61 HA LYS 61 6.442 1.306 -0.876 488 1HB LYS 61 2HB LYS 61 4.861 -0.243 -1.946 489 2HB LYS 61 1HB LYS 61 3.587 0.257 -0.834 490 1HG LYS 61 2HG LYS 61 3.516 2.464 -1.767 491 2HG LYS 61 1HG LYS 61 4.993 2.189 -2.694 492 1HD LYS 61 2HD LYS 61 3.634 0.212 -3.756 493 2HD LYS 61 1HD LYS 61 2.230 1.106 -3.171 494 1HE LYS 61 2HE LYS 61 2.817 3.049 -4.470 495 2HE LYS 61 1HE LYS 61 4.403 2.365 -4.878 496 1HZ LYS 61 1HZ LYS 61 3.276 0.504 -5.948 497 2HZ LYS 61 2HZ LYS 61 2.831 1.976 -6.670 498 3HZ LYS 61 3HZ LYS 61 1.767 1.196 -5.600 499 H ALA 62 H ALA 62 3.706 1.123 1.424 500 HA ALA 62 HA ALA 62 3.402 4.023 1.535 501 1HB ALA 62 1HB ALA 62 2.270 1.599 2.895 502 2HB ALA 62 2HB ALA 62 1.434 2.845 1.966 503 3HB ALA 62 3HB ALA 62 1.985 3.187 3.605 504 H ALA 63 H ALA 63 5.547 1.779 3.021 505 HA ALA 63 HA ALA 63 5.939 3.249 5.517 506 1HB ALA 63 1HB ALA 63 7.667 1.189 4.103 507 2HB ALA 63 2HB ALA 63 6.316 0.792 5.166 508 3HB ALA 63 3HB ALA 63 7.735 1.616 5.814 509 H LYS 64 H LYS 64 6.750 3.966 2.301 510 HA LYS 64 HA LYS 64 9.313 5.312 3.015 511 1HB LYS 64 2HB LYS 64 7.900 4.389 0.512 512 2HB LYS 64 1HB LYS 64 9.250 5.513 0.430 513 1HG LYS 64 2HG LYS 64 9.337 2.810 1.794 514 2HG LYS 64 1HG LYS 64 9.956 3.128 0.172 515 1HD LYS 64 2HD LYS 64 11.290 5.056 1.395 516 2HD LYS 64 1HD LYS 64 11.026 4.047 2.818 517 1HE LYS 64 2HE LYS 64 12.052 2.768 0.294 518 2HE LYS 64 1HE LYS 64 13.176 3.642 1.354 519 1HZ LYS 64 1HZ LYS 64 11.289 1.511 2.213 520 2HZ LYS 64 2HZ LYS 64 12.345 2.366 3.233 521 3HZ LYS 64 3HZ LYS 64 12.966 1.327 2.041 522 H LEU 65 H LEU 65 5.999 5.827 2.078 523 HA LEU 65 HA LEU 65 6.377 8.693 1.457 524 1HB LEU 65 2HB LEU 65 4.163 6.656 1.383 525 2HB LEU 65 1HB LEU 65 3.761 8.372 1.321 526 HG LEU 65 HG LEU 65 5.637 8.439 -0.529 527 1HD1 LEU 65 1HD1 LEU 65 6.501 6.259 -0.509 528 2HD1 LEU 65 2HD1 LEU 65 5.354 6.195 -1.847 529 3HD1 LEU 65 3HD1 LEU 65 4.912 5.529 -0.274 530 1HD2 LEU 65 1HD2 LEU 65 3.211 8.915 -0.850 531 2HD2 LEU 65 2HD2 LEU 65 2.921 7.188 -1.056 532 3HD2 LEU 65 3HD2 LEU 65 3.908 8.061 -2.227 533 H LYS 66 H LYS 66 5.673 6.675 4.188 534 HA LYS 66 HA LYS 66 4.097 8.583 5.718 535 1HB LYS 66 2HB LYS 66 4.115 6.098 6.023 536 2HB LYS 66 1HB LYS 66 5.790 6.204 6.563 537 1HG LYS 66 2HG LYS 66 4.849 6.369 8.633 538 2HG LYS 66 1HG LYS 66 4.640 8.062 8.184 539 1HD LYS 66 2HD LYS 66 2.378 7.813 7.749 540 2HD LYS 66 1HD LYS 66 2.537 6.102 7.348 541 1HE LYS 66 2HE LYS 66 3.304 6.073 9.974 542 2HE LYS 66 1HE LYS 66 2.095 7.373 9.983 543 1HZ LYS 66 1HZ LYS 66 1.755 4.633 8.883 544 2HZ LYS 66 2HZ LYS 66 0.629 5.890 8.681 545 3HZ LYS 66 3HZ LYS 66 0.965 5.287 10.234 546 H GLU 67 H GLU 67 7.533 7.750 5.418 547 HA GLU 67 HA GLU 67 8.486 9.336 7.631 548 1HB GLU 67 2HB GLU 67 9.707 8.286 5.063 549 2HB GLU 67 1HB GLU 67 10.657 9.117 6.295 550 1HG GLU 67 2HG GLU 67 9.761 7.433 7.971 551 2HG GLU 67 1HG GLU 67 9.106 6.535 6.600 552 H LYS 68 H LYS 68 8.619 9.990 4.102 553 HA LYS 68 HA LYS 68 9.491 12.686 4.265 554 1HB LYS 68 2HB LYS 68 8.036 10.956 2.301 555 2HB LYS 68 1HB LYS 68 8.125 12.687 1.973 556 1HG LYS 68 2HG LYS 68 10.036 11.648 0.920 557 2HG LYS 68 1HG LYS 68 10.620 12.541 2.325 558 1HD LYS 68 2HD LYS 68 10.683 10.491 3.650 559 2HD LYS 68 1HD LYS 68 9.994 9.574 2.310 560 1HE LYS 68 2HE LYS 68 12.311 9.155 2.094 561 2HE LYS 68 1HE LYS 68 12.060 10.503 0.967 562 1HZ LYS 68 1HZ LYS 68 12.604 12.047 2.749 563 2HZ LYS 68 2HZ LYS 68 13.894 10.974 2.479 564 3HZ LYS 68 3HZ LYS 68 12.870 10.757 3.817 565 H TYR 69 H TYR 69 6.296 11.295 4.720 566 HA TYR 69 HA TYR 69 4.801 13.779 4.427 567 1HB TYR 69 2HB TYR 69 3.794 11.566 4.117 568 2HB TYR 69 1HB TYR 69 4.227 11.105 5.762 569 HD1 TYR 69 1HD TYR 69 2.419 11.072 7.221 570 HD2 TYR 69 2HD TYR 69 2.562 14.070 4.151 571 HE1 TYR 69 1HE TYR 69 0.285 12.027 8.052 572 HE2 TYR 69 2HE TYR 69 0.429 15.023 4.979 573 HH TYR 69 HH TYR 69 -0.770 14.951 7.463 574 H GLU 70 H GLU 70 5.242 11.775 7.333 575 HA GLU 70 HA GLU 70 4.600 13.734 9.266 576 1HB GLU 70 2HB GLU 70 6.405 11.304 9.293 577 2HB GLU 70 1HB GLU 70 6.008 12.202 10.758 578 1HG GLU 70 2HG GLU 70 3.557 11.887 10.148 579 2HG GLU 70 1HG GLU 70 4.100 10.751 8.911 580 H LYS 71 H LYS 71 7.542 13.387 7.405 581 HA LYS 71 HA LYS 71 9.086 15.125 9.250 582 1HB LYS 71 2HB LYS 71 9.693 13.582 6.718 583 2HB LYS 71 1HB LYS 71 10.888 14.588 7.536 584 1HG LYS 71 2HG LYS 71 10.454 13.264 9.635 585 2HG LYS 71 1HG LYS 71 9.447 12.179 8.677 586 1HD LYS 71 2HD LYS 71 11.410 11.781 7.168 587 2HD LYS 71 1HD LYS 71 12.397 12.742 8.270 588 1HE LYS 71 2HE LYS 71 10.798 10.367 9.253 589 2HE LYS 71 1HE LYS 71 12.454 10.195 8.640 590 1HZ LYS 71 1HZ LYS 71 11.594 12.077 10.775 591 2HZ LYS 71 2HZ LYS 71 13.176 11.903 10.182 592 3HZ LYS 71 3HZ LYS 71 12.441 10.630 11.031 593 H ASP 72 H ASP 72 7.243 15.382 6.296 594 HA ASP 72 HA ASP 72 8.478 18.052 5.721 595 1HB ASP 72 2HB ASP 72 8.488 16.254 3.974 596 2HB ASP 72 1HB ASP 72 6.724 16.274 4.000 597 H ILE 73 H ILE 73 5.410 16.403 6.386 598 HA ILE 73 HA ILE 73 3.690 18.640 5.811 599 HB ILE 73 HB ILE 73 3.090 16.190 6.022 600 1HG1 ILE 73 2HG1 ILE 73 0.984 16.818 7.549 601 2HG1 ILE 73 1HG1 ILE 73 1.621 18.446 7.305 602 1HG2 ILE 73 1HG2 ILE 73 2.915 15.118 8.088 603 2HG2 ILE 73 2HG2 ILE 73 2.860 16.636 8.985 604 3HG2 ILE 73 3HG2 ILE 73 4.383 16.069 8.303 605 1HD1 ILE 73 1HD1 ILE 73 1.151 18.441 5.061 606 2HD1 ILE 73 2HD1 ILE 73 -0.060 17.256 5.552 607 3HD1 ILE 73 3HD1 ILE 73 1.484 16.717 4.890 608 H ALA 74 H ALA 74 5.497 17.657 8.679 609 HA ALA 74 HA ALA 74 4.299 19.345 10.635 610 1HB ALA 74 1HB ALA 74 5.887 17.576 11.166 611 2HB ALA 74 2HB ALA 74 6.556 19.106 11.729 612 3HB ALA 74 3HB ALA 74 7.150 18.381 10.235 613 H ALA 75 H ALA 75 6.772 20.001 8.187 614 HA ALA 75 HA ALA 75 7.124 22.792 9.118 615 1HB ALA 75 1HB ALA 75 8.874 22.789 7.382 616 2HB ALA 75 2HB ALA 75 8.302 21.227 6.798 617 3HB ALA 75 3HB ALA 75 9.024 21.358 8.402 618 H TYR 76 H TYR 76 5.305 20.996 6.749 619 HA TYR 76 HA TYR 76 4.901 23.145 4.839 620 1HB TYR 76 2HB TYR 76 4.674 20.686 4.411 621 2HB TYR 76 1HB TYR 76 3.242 20.673 5.440 622 HD1 TYR 76 1HD TYR 76 4.688 22.216 2.364 623 HD2 TYR 76 2HD TYR 76 1.127 21.317 4.591 624 HE1 TYR 76 1HE TYR 76 3.302 22.951 0.444 625 HE2 TYR 76 2HE TYR 76 -0.260 22.051 2.670 626 HH TYR 76 HH TYR 76 0.438 22.181 -0.154 627 H ARG 77 H ARG 77 3.044 21.882 7.611 628 HA ARG 77 HA ARG 77 0.989 23.995 7.271 629 1HB ARG 77 2HB ARG 77 1.358 21.508 8.930 630 2HB ARG 77 1HB ARG 77 0.086 22.663 9.327 631 1HG ARG 77 2HG ARG 77 -1.002 22.358 7.249 632 2HG ARG 77 1HG ARG 77 0.416 21.603 6.521 633 1HD ARG 77 2HD ARG 77 0.145 19.703 8.187 634 2HD ARG 77 1HD ARG 77 -1.418 20.418 8.627 635 HE ARG 77 HE ARG 77 -0.909 19.944 5.743 636 1HH1 ARG 77 1HH2 ARG 77 -1.350 17.457 7.551 637 2HH1 ARG 77 2HH2 ARG 77 -3.045 17.199 7.305 638 1HH2 ARG 77 1HH1 ARG 77 -3.587 20.327 5.909 639 2HH2 ARG 77 2HH1 ARG 77 -4.311 18.824 6.375 640 H ALA 78 H ALA 78 4.000 24.005 8.619 641 HA ALA 78 HA ALA 78 5.039 25.293 10.296 642 1HB ALA 78 1HB ALA 78 3.495 26.924 8.974 643 2HB ALA 78 2HB ALA 78 4.110 27.454 10.541 644 3HB ALA 78 3HB ALA 78 2.457 26.855 10.400 645 H LYS 79 H LYS 79 4.506 23.158 11.557 646 HA LYS 79 HA LYS 79 3.157 23.945 14.083 647 1HB LYS 79 2HB LYS 79 1.902 21.807 14.056 648 2HB LYS 79 1HB LYS 79 1.477 22.822 12.681 649 1HG LYS 79 2HG LYS 79 3.475 21.460 11.548 650 2HG LYS 79 1HG LYS 79 3.010 20.261 12.752 651 1HD LYS 79 2HD LYS 79 0.894 21.586 11.081 652 2HD LYS 79 1HD LYS 79 1.828 20.249 10.409 653 1HE LYS 79 2HE LYS 79 0.649 19.922 13.151 654 2HE LYS 79 1HE LYS 79 -0.411 19.747 11.736 655 1HZ LYS 79 1HZ LYS 79 1.026 18.126 10.807 656 2HZ LYS 79 2HZ LYS 79 0.774 17.664 12.423 657 3HZ LYS 79 3HZ LYS 79 2.230 18.412 11.966 Start of MODEL 27 1 1H MET 1 1HT MET 1 -13.490 21.697 -2.483 2 2H MET 1 2HT MET 1 -13.374 22.219 -0.870 3 3H MET 1 3HT MET 1 -14.693 21.269 -1.367 4 HA MET 1 HA MET 1 -13.107 19.918 -0.126 5 1HB MET 1 2HB MET 1 -14.518 19.223 -2.182 6 2HB MET 1 1HB MET 1 -12.997 19.266 -3.075 7 1HG MET 1 2HG MET 1 -13.188 17.018 -2.351 8 2HG MET 1 1HG MET 1 -12.066 17.753 -1.206 9 1HE MET 1 1HE MET 1 -13.198 15.158 -0.423 10 2HE MET 1 2HE MET 1 -14.634 15.314 -1.430 11 3HE MET 1 3HE MET 1 -14.807 15.062 0.305 12 H LYS 2 H LYS 2 -11.004 20.013 0.530 13 HA LYS 2 HA LYS 2 -8.931 21.030 -1.369 14 1HB LYS 2 2HB LYS 2 -9.307 20.919 1.615 15 2HB LYS 2 1HB LYS 2 -7.689 21.129 0.946 16 1HG LYS 2 2HG LYS 2 -8.305 23.345 1.067 17 2HG LYS 2 1HG LYS 2 -8.961 22.970 -0.526 18 1HD LYS 2 2HD LYS 2 -10.748 24.033 0.613 19 2HD LYS 2 1HD LYS 2 -11.124 22.312 0.714 20 1HE LYS 2 2HE LYS 2 -9.560 22.694 2.959 21 2HE LYS 2 1HE LYS 2 -10.473 24.213 2.857 22 1HZ LYS 2 1HZ LYS 2 -11.769 22.539 4.017 23 2HZ LYS 2 2HZ LYS 2 -11.621 21.474 2.700 24 3HZ LYS 2 3HZ LYS 2 -12.502 22.918 2.535 25 H LYS 3 H LYS 3 -6.676 19.968 -0.847 26 HA LYS 3 HA LYS 3 -6.633 17.233 0.090 27 1HB LYS 3 2HB LYS 3 -7.863 17.271 -2.190 28 2HB LYS 3 1HB LYS 3 -6.275 17.600 -2.884 29 1HG LYS 3 2HG LYS 3 -5.383 15.539 -2.057 30 2HG LYS 3 1HG LYS 3 -6.790 15.267 -1.028 31 1HD LYS 3 2HD LYS 3 -8.185 15.215 -3.158 32 2HD LYS 3 1HD LYS 3 -6.663 15.159 -4.048 33 1HE LYS 3 2HE LYS 3 -6.037 13.071 -3.004 34 2HE LYS 3 1HE LYS 3 -7.405 13.169 -1.877 35 1HZ LYS 3 1HZ LYS 3 -8.917 13.157 -3.762 36 2HZ LYS 3 2HZ LYS 3 -7.943 11.766 -3.780 37 3HZ LYS 3 3HZ LYS 3 -7.613 13.050 -4.841 38 H LYS 4 H LYS 4 -5.095 19.727 0.398 39 HA LYS 4 HA LYS 4 -2.851 20.451 0.495 40 1HB LYS 4 2HB LYS 4 -3.030 17.584 0.885 41 2HB LYS 4 1HB LYS 4 -1.489 17.989 0.137 42 1HG LYS 4 2HG LYS 4 -0.884 19.447 1.910 43 2HG LYS 4 1HG LYS 4 -2.534 19.505 2.531 44 1HD LYS 4 2HD LYS 4 -2.282 16.955 2.888 45 2HD LYS 4 1HD LYS 4 -0.552 17.236 2.689 46 1HE LYS 4 2HE LYS 4 -0.393 18.494 4.651 47 2HE LYS 4 1HE LYS 4 -2.107 18.956 4.611 48 1HZ LYS 4 1HZ LYS 4 -2.724 16.681 5.043 49 2HZ LYS 4 2HZ LYS 4 -1.659 17.206 6.258 50 3HZ LYS 4 3HZ LYS 4 -1.101 16.188 5.018 51 H ASP 5 H ASP 5 -0.558 19.455 -0.797 52 HA ASP 5 HA ASP 5 -1.233 19.647 -3.712 53 1HB ASP 5 2HB ASP 5 0.153 21.500 -1.940 54 2HB ASP 5 1HB ASP 5 1.202 20.999 -3.264 55 HA PRO 6 HA PRO 6 1.823 16.532 -4.338 56 1HB PRO 6 2HB PRO 6 3.487 17.467 -6.301 57 2HB PRO 6 1HB PRO 6 1.823 16.935 -6.616 58 1HG PRO 6 2HG PRO 6 2.901 19.693 -6.308 59 2HG PRO 6 1HG PRO 6 1.679 19.078 -7.432 60 1HD PRO 6 2HD PRO 6 1.064 20.471 -5.181 61 2HD PRO 6 1HD PRO 6 -0.013 19.250 -5.896 62 H ASN 7 H ASN 7 3.117 19.762 -3.798 63 HA ASN 7 HA ASN 7 5.817 18.875 -3.122 64 1HB ASN 7 2HB ASN 7 4.960 21.144 -4.022 65 2HB ASN 7 1HB ASN 7 4.482 21.478 -2.357 66 1HD2 ASN 7 1HD2 ASN 7 7.267 21.007 -4.491 67 2HD2 ASN 7 2HD2 ASN 7 8.435 21.529 -3.376 68 H ALA 8 H ALA 8 2.800 19.259 -1.379 69 HA ALA 8 HA ALA 8 4.185 19.064 1.252 70 1HB ALA 8 1HB ALA 8 2.278 20.700 0.612 71 2HB ALA 8 2HB ALA 8 2.111 19.825 2.134 72 3HB ALA 8 3HB ALA 8 1.219 19.293 0.709 73 HA PRO 9 HA PRO 9 3.305 14.687 1.091 74 1HB PRO 9 2HB PRO 9 3.873 14.053 3.692 75 2HB PRO 9 1HB PRO 9 5.128 14.352 2.474 76 1HG PRO 9 2HG PRO 9 4.086 16.153 4.600 77 2HG PRO 9 1HG PRO 9 5.743 15.935 4.015 78 1HD PRO 9 2HD PRO 9 4.155 18.033 3.292 79 2HD PRO 9 1HD PRO 9 5.454 17.386 2.266 80 H LYS 10 H LYS 10 1.130 14.236 0.940 81 HA LYS 10 HA LYS 10 -0.882 15.262 2.718 82 1HB LYS 10 2HB LYS 10 -2.333 13.707 1.438 83 2HB LYS 10 1HB LYS 10 -1.258 14.602 0.366 84 1HG LYS 10 2HG LYS 10 0.237 12.351 1.049 85 2HG LYS 10 1HG LYS 10 -1.400 11.721 0.872 86 1HD LYS 10 2HD LYS 10 -1.582 12.573 -1.365 87 2HD LYS 10 1HD LYS 10 -0.097 13.511 -1.193 88 1HE LYS 10 2HE LYS 10 1.230 11.455 -1.033 89 2HE LYS 10 1HE LYS 10 -0.249 10.475 -1.108 90 1HZ LYS 10 1HZ LYS 10 0.760 10.738 -3.308 91 2HZ LYS 10 2HZ LYS 10 0.626 12.426 -3.174 92 3HZ LYS 10 3HZ LYS 10 -0.772 11.462 -3.241 93 H ARG 11 H ARG 11 -2.439 12.936 3.264 94 HA ARG 11 HA ARG 11 -1.408 12.079 5.779 95 1HB ARG 11 2HB ARG 11 -3.626 11.445 3.930 96 2HB ARG 11 1HB ARG 11 -3.184 10.124 5.011 97 1HG ARG 11 2HG ARG 11 -4.868 11.470 6.120 98 2HG ARG 11 1HG ARG 11 -3.326 11.743 6.933 99 1HD ARG 11 2HD ARG 11 -3.017 13.786 5.450 100 2HD ARG 11 1HD ARG 11 -4.701 13.566 4.936 101 HE ARG 11 HE ARG 11 -5.166 13.556 7.514 102 1HH1 ARG 11 1HH2 ARG 11 -2.050 14.473 7.256 103 2HH1 ARG 11 2HH2 ARG 11 -2.244 16.094 7.835 104 1HH2 ARG 11 1HH1 ARG 11 -5.707 16.018 7.681 105 2HH2 ARG 11 2HH1 ARG 11 -4.314 16.969 8.075 106 HA PRO 12 HA PRO 12 1.476 9.014 4.366 107 1HB PRO 12 2HB PRO 12 1.831 7.620 6.692 108 2HB PRO 12 1HB PRO 12 2.554 9.214 6.398 109 1HG PRO 12 2HG PRO 12 0.153 8.490 7.989 110 2HG PRO 12 1HG PRO 12 1.383 9.722 8.293 111 1HD PRO 12 2HD PRO 12 -1.105 10.258 7.279 112 2HD PRO 12 1HD PRO 12 0.323 11.282 7.012 113 HA PRO 13 HA PRO 13 -1.469 5.697 3.702 114 1HB PRO 13 2HB PRO 13 -0.056 4.331 1.807 115 2HB PRO 13 1HB PRO 13 -0.947 5.823 1.455 116 1HG PRO 13 2HG PRO 13 1.952 5.386 1.747 117 2HG PRO 13 1HG PRO 13 1.079 6.597 0.802 118 1HD PRO 13 2HD PRO 13 2.342 6.997 3.279 119 2HD PRO 13 1HD PRO 13 1.227 8.115 2.469 120 H SER 14 H SER 14 -1.130 3.120 3.516 121 HA SER 14 HA SER 14 1.184 2.004 4.888 122 1HB SER 14 2HB SER 14 0.013 3.237 6.708 123 2HB SER 14 1HB SER 14 -1.434 2.281 6.401 124 HG SER 14 HG SER 14 -0.357 1.236 8.003 125 H ALA 15 H ALA 15 0.343 0.989 2.571 126 HA ALA 15 HA ALA 15 -0.265 -1.006 1.560 127 1HB ALA 15 1HB ALA 15 -1.393 -2.406 3.843 128 2HB ALA 15 2HB ALA 15 0.143 -1.656 4.277 129 3HB ALA 15 3HB ALA 15 0.062 -2.780 2.922 130 H PHE 16 H PHE 16 -2.725 -0.970 4.175 131 HA PHE 16 HA PHE 16 -4.959 -1.543 2.589 132 1HB PHE 16 2HB PHE 16 -4.640 -1.288 5.132 133 2HB PHE 16 1HB PHE 16 -4.976 0.424 4.878 134 HD1 PHE 16 1HD PHE 16 -7.176 0.992 5.398 135 HD2 PHE 16 2HD PHE 16 -6.381 -2.784 3.514 136 HE1 PHE 16 1HE PHE 16 -9.609 0.511 5.334 137 HE2 PHE 16 2HE PHE 16 -8.813 -3.265 3.449 138 HZ PHE 16 HZ PHE 16 -10.428 -1.618 4.358 139 H PHE 17 H PHE 17 -3.670 1.691 3.399 140 HA PHE 17 HA PHE 17 -5.630 3.237 2.005 141 1HB PHE 17 2HB PHE 17 -3.723 3.853 3.688 142 2HB PHE 17 1HB PHE 17 -2.716 3.983 2.246 143 HD1 PHE 17 1HD PHE 17 -3.455 5.536 0.371 144 HD2 PHE 17 2HD PHE 17 -5.253 5.569 4.271 145 HE1 PHE 17 1HE PHE 17 -4.386 7.790 -0.079 146 HE2 PHE 17 2HE PHE 17 -6.184 7.824 3.822 147 HZ PHE 17 HZ PHE 17 -5.751 8.934 1.648 148 H LEU 18 H LEU 18 -2.641 1.652 0.924 149 HA LEU 18 HA LEU 18 -2.634 2.855 -1.723 150 1HB LEU 18 2HB LEU 18 -1.307 0.297 -0.768 151 2HB LEU 18 1HB LEU 18 -0.791 1.328 -2.097 152 HG LEU 18 HG LEU 18 -0.747 2.030 0.860 153 1HD1 LEU 18 1HD1 LEU 18 1.752 2.305 0.201 154 2HD1 LEU 18 2HD1 LEU 18 1.330 1.321 -1.201 155 3HD1 LEU 18 3HD1 LEU 18 1.119 0.674 0.426 156 1HD2 LEU 18 1HD2 LEU 18 -1.244 4.080 -0.244 157 2HD2 LEU 18 2HD2 LEU 18 -0.237 3.670 -1.633 158 3HD2 LEU 18 3HD2 LEU 18 0.514 4.088 -0.094 159 H PHE 19 H PHE 19 -3.715 -0.255 -0.358 160 HA PHE 19 HA PHE 19 -4.401 -1.509 -2.851 161 1HB PHE 19 2HB PHE 19 -4.043 -2.599 -0.619 162 2HB PHE 19 1HB PHE 19 -5.579 -1.915 -0.084 163 HD1 PHE 19 1HD PHE 19 -3.972 -4.567 -1.946 164 HD2 PHE 19 2HD PHE 19 -7.699 -2.521 -1.341 165 HE1 PHE 19 1HE PHE 19 -5.182 -6.461 -2.995 166 HE2 PHE 19 2HE PHE 19 -8.909 -4.415 -2.390 167 HZ PHE 19 HZ PHE 19 -7.650 -6.386 -3.216 168 H CYS 20 H CYS 20 -6.459 0.149 -0.427 169 HA CYS 20 HA CYS 20 -8.894 -0.026 -1.962 170 1HB CYS 20 2HB CYS 20 -8.308 0.567 0.562 171 2HB CYS 20 1HB CYS 20 -8.323 2.218 -0.055 172 HG CYS 20 HG CYS 20 -10.785 0.348 0.125 173 H SER 21 H SER 21 -6.211 2.234 -1.946 174 HA SER 21 HA SER 21 -7.500 4.391 -3.365 175 1HB SER 21 2HB SER 21 -4.726 3.526 -2.663 176 2HB SER 21 1HB SER 21 -4.914 4.789 -3.876 177 HG SER 21 HG SER 21 -6.151 5.954 -2.367 178 H GLU 22 H GLU 22 -6.309 1.305 -4.471 179 HA GLU 22 HA GLU 22 -6.456 2.321 -7.291 180 1HB GLU 22 2HB GLU 22 -4.655 0.730 -7.799 181 2HB GLU 22 1HB GLU 22 -4.165 1.813 -6.499 182 1HG GLU 22 2HG GLU 22 -4.826 0.060 -4.843 183 2HG GLU 22 1HG GLU 22 -5.184 -1.026 -6.185 184 H TYR 23 H TYR 23 -7.372 -0.260 -5.056 185 HA TYR 23 HA TYR 23 -8.318 -2.081 -7.129 186 1HB TYR 23 2HB TYR 23 -8.341 -1.864 -4.154 187 2HB TYR 23 1HB TYR 23 -9.537 -2.927 -4.890 188 HD1 TYR 23 1HD TYR 23 -8.928 -5.037 -5.786 189 HD2 TYR 23 2HD TYR 23 -5.882 -2.197 -4.732 190 HE1 TYR 23 1HE TYR 23 -7.189 -6.772 -6.130 191 HE2 TYR 23 2HE TYR 23 -4.145 -3.932 -5.075 192 HH TYR 23 HH TYR 23 -4.857 -7.218 -5.339 193 H ARG 24 H ARG 24 -9.852 0.349 -5.018 194 HA ARG 24 HA ARG 24 -12.552 -0.147 -5.399 195 1HB ARG 24 2HB ARG 24 -11.006 2.447 -5.288 196 2HB ARG 24 1HB ARG 24 -12.765 2.355 -5.190 197 1HG ARG 24 2HG ARG 24 -12.594 0.875 -3.235 198 2HG ARG 24 1HG ARG 24 -10.835 0.950 -3.325 199 1HD ARG 24 2HD ARG 24 -10.797 2.933 -2.220 200 2HD ARG 24 1HD ARG 24 -12.017 3.626 -3.306 201 HE ARG 24 HE ARG 24 -12.913 1.692 -1.228 202 1HH1 ARG 24 1HH1 ARG 24 -14.573 3.581 -3.064 203 2HH1 ARG 24 2HH1 ARG 24 -15.096 4.750 -1.897 204 1HH2 ARG 24 1HH2 ARG 24 -12.812 3.756 0.516 205 2HH2 ARG 24 2HH2 ARG 24 -14.099 4.849 0.129 206 HA PRO 25 HA PRO 25 -12.632 2.489 -9.478 207 1HB PRO 25 2HB PRO 25 -10.261 2.590 -10.873 208 2HB PRO 25 1HB PRO 25 -10.802 3.859 -9.754 209 1HG PRO 25 2HG PRO 25 -8.920 1.591 -9.262 210 2HG PRO 25 1HG PRO 25 -8.757 3.300 -8.816 211 1HD PRO 25 2HD PRO 25 -9.513 1.516 -7.011 212 2HD PRO 25 1HD PRO 25 -10.276 3.119 -7.050 213 H LYS 26 H LYS 26 -10.570 -0.314 -9.033 214 HA LYS 26 HA LYS 26 -11.067 -1.548 -11.621 215 1HB LYS 26 2HB LYS 26 -9.247 -2.012 -9.829 216 2HB LYS 26 1HB LYS 26 -10.506 -2.919 -8.985 217 1HG LYS 26 2HG LYS 26 -9.980 -3.465 -11.893 218 2HG LYS 26 1HG LYS 26 -8.932 -4.179 -10.667 219 1HD LYS 26 2HD LYS 26 -11.217 -4.850 -9.532 220 2HD LYS 26 1HD LYS 26 -11.852 -4.649 -11.166 221 1HE LYS 26 2HE LYS 26 -9.372 -6.304 -10.679 222 2HE LYS 26 1HE LYS 26 -10.992 -7.011 -10.518 223 1HZ LYS 26 1HZ LYS 26 -9.914 -5.577 -12.887 224 2HZ LYS 26 2HZ LYS 26 -11.525 -6.093 -12.725 225 3HZ LYS 26 3HZ LYS 26 -10.267 -7.233 -12.788 226 H ILE 27 H ILE 27 -12.407 -1.887 -8.349 227 HA ILE 27 HA ILE 27 -14.397 -3.844 -8.814 228 HB ILE 27 HB ILE 27 -14.341 -1.423 -6.974 229 1HG1 ILE 27 2HG1 ILE 27 -12.394 -2.921 -6.696 230 2HG1 ILE 27 1HG1 ILE 27 -13.456 -2.997 -5.297 231 1HG2 ILE 27 1HG2 ILE 27 -16.016 -3.946 -6.865 232 2HG2 ILE 27 2HG2 ILE 27 -16.599 -2.295 -7.068 233 3HG2 ILE 27 3HG2 ILE 27 -15.874 -2.792 -5.539 234 1HD1 ILE 27 1HD1 ILE 27 -14.527 -5.031 -6.316 235 2HD1 ILE 27 2HD1 ILE 27 -12.833 -5.252 -5.874 236 3HD1 ILE 27 3HD1 ILE 27 -13.278 -4.994 -7.561 237 H LYS 28 H LYS 28 -14.311 -0.464 -9.763 238 HA LYS 28 HA LYS 28 -17.213 -0.233 -10.023 239 1HB LYS 28 2HB LYS 28 -15.147 1.581 -11.280 240 2HB LYS 28 1HB LYS 28 -16.750 1.994 -10.689 241 1HG LYS 28 2HG LYS 28 -14.218 1.549 -9.164 242 2HG LYS 28 1HG LYS 28 -15.346 2.876 -9.040 243 1HD LYS 28 2HD LYS 28 -15.750 0.054 -7.967 244 2HD LYS 28 1HD LYS 28 -15.491 1.518 -7.025 245 1HE LYS 28 2HE LYS 28 -17.814 1.358 -8.953 246 2HE LYS 28 1HE LYS 28 -17.944 0.689 -7.314 247 1HZ LYS 28 1HZ LYS 28 -18.578 3.000 -7.277 248 2HZ LYS 28 2HZ LYS 28 -17.124 3.455 -8.031 249 3HZ LYS 28 3HZ LYS 28 -17.105 2.817 -6.457 250 H SER 29 H SER 29 -14.551 -1.163 -12.106 251 HA SER 29 HA SER 29 -16.151 -0.963 -14.569 252 1HB SER 29 2HB SER 29 -13.612 -0.595 -14.195 253 2HB SER 29 1HB SER 29 -13.500 -2.353 -14.183 254 HG SER 29 HG SER 29 -14.000 -0.601 -16.257 255 H GLU 30 H GLU 30 -16.035 -3.221 -12.041 256 HA GLU 30 HA GLU 30 -16.948 -5.397 -13.889 257 1HB GLU 30 2HB GLU 30 -15.010 -5.436 -11.575 258 2HB GLU 30 1HB GLU 30 -15.770 -6.910 -12.175 259 1HG GLU 30 2HG GLU 30 -14.950 -5.952 -14.521 260 2HG GLU 30 1HG GLU 30 -13.762 -5.138 -13.502 261 H HIS 31 H HIS 31 -17.842 -3.427 -11.288 262 HA HIS 31 HA HIS 31 -19.827 -5.474 -10.346 263 1HB HIS 31 2HB HIS 31 -18.456 -3.272 -8.755 264 2HB HIS 31 1HB HIS 31 -19.591 -4.447 -8.117 265 HD1 HIS 31 1HD HIS 31 -16.190 -4.384 -9.806 266 HD2 HIS 31 2HD HIS 31 -18.434 -6.800 -7.260 267 HE1 HIS 31 1HE HIS 31 -14.652 -6.230 -9.034 268 HA PRO 32 HA PRO 32 -22.171 -1.897 -11.945 269 1HB PRO 32 2HB PRO 32 -24.296 -3.331 -12.899 270 2HB PRO 32 1HB PRO 32 -22.801 -3.070 -13.816 271 1HG PRO 32 2HG PRO 32 -23.754 -5.488 -12.420 272 2HG PRO 32 1HG PRO 32 -22.696 -5.332 -13.824 273 1HD PRO 32 2HD PRO 32 -21.889 -5.876 -11.200 274 2HD PRO 32 1HD PRO 32 -20.838 -5.391 -12.547 275 H GLY 33 H GLY 33 -24.434 -4.472 -10.910 276 1HA GLY 33 2HA GLY 33 -26.202 -2.823 -9.493 277 2HA GLY 33 1HA GLY 33 -25.989 -4.536 -9.143 278 H LEU 34 H LEU 34 -23.131 -4.122 -8.471 279 HA LEU 34 HA LEU 34 -23.122 -3.982 -5.696 280 1HB LEU 34 2HB LEU 34 -21.275 -4.656 -7.128 281 2HB LEU 34 1HB LEU 34 -21.080 -3.003 -7.704 282 HG LEU 34 HG LEU 34 -20.985 -3.385 -4.770 283 1HD1 LEU 34 1HD1 LEU 34 -19.661 -5.310 -5.896 284 2HD1 LEU 34 2HD1 LEU 34 -18.848 -4.344 -4.664 285 3HD1 LEU 34 3HD1 LEU 34 -18.533 -4.041 -6.372 286 1HD2 LEU 34 1HD2 LEU 34 -19.783 -1.674 -6.888 287 2HD2 LEU 34 2HD2 LEU 34 -18.871 -1.884 -5.393 288 3HD2 LEU 34 3HD2 LEU 34 -20.499 -1.213 -5.346 289 H SER 35 H SER 35 -24.464 -2.342 -4.829 290 HA SER 35 HA SER 35 -24.365 0.446 -5.540 291 1HB SER 35 2HB SER 35 -25.169 -0.921 -2.950 292 2HB SER 35 1HB SER 35 -25.643 0.703 -3.442 293 HG SER 35 HG SER 35 -26.922 -0.125 -4.979 294 H ILE 36 H ILE 36 -23.769 2.089 -3.631 295 HA ILE 36 HA ILE 36 -20.941 2.117 -3.301 296 HB ILE 36 HB ILE 36 -23.271 3.490 -1.939 297 1HG1 ILE 36 2HG1 ILE 36 -22.789 4.074 -4.287 298 2HG1 ILE 36 1HG1 ILE 36 -22.453 5.435 -3.222 299 1HG2 ILE 36 1HG2 ILE 36 -21.713 3.669 -0.201 300 2HG2 ILE 36 2HG2 ILE 36 -21.366 5.118 -1.144 301 3HG2 ILE 36 3HG2 ILE 36 -20.335 3.695 -1.302 302 1HD1 ILE 36 1HD1 ILE 36 -20.018 4.573 -3.187 303 2HD1 ILE 36 2HD1 ILE 36 -20.578 5.343 -4.671 304 3HD1 ILE 36 3HD1 ILE 36 -20.483 3.585 -4.572 305 H GLY 37 H GLY 37 -23.377 1.629 -0.720 306 1HA GLY 37 2HA GLY 37 -21.721 0.891 1.377 307 2HA GLY 37 1HA GLY 37 -23.342 0.234 1.173 308 H ASP 38 H ASP 38 -22.833 -1.187 -1.272 309 HA ASP 38 HA ASP 38 -21.731 -3.642 -0.214 310 1HB ASP 38 2HB ASP 38 -22.515 -2.645 -2.967 311 2HB ASP 38 1HB ASP 38 -21.975 -4.299 -2.674 312 H THR 39 H THR 39 -20.436 -1.017 -2.199 313 HA THR 39 HA THR 39 -18.011 -2.340 -3.042 314 HB THR 39 HB THR 39 -18.037 0.597 -2.591 315 HG1 THR 39 1HG THR 39 -19.482 0.866 -4.336 316 1HG2 THR 39 1HG2 THR 39 -17.106 -1.378 -4.601 317 2HG2 THR 39 2HG2 THR 39 -16.284 0.039 -3.948 318 3HG2 THR 39 3HG2 THR 39 -17.518 0.231 -5.194 319 H ALA 40 H ALA 40 -18.827 -0.321 -0.242 320 HA ALA 40 HA ALA 40 -16.142 -0.103 0.796 321 1HB ALA 40 1HB ALA 40 -18.802 0.023 2.254 322 2HB ALA 40 2HB ALA 40 -18.133 1.355 1.311 323 3HB ALA 40 3HB ALA 40 -17.289 0.783 2.750 324 H LYS 41 H LYS 41 -18.809 -2.369 1.368 325 HA LYS 41 HA LYS 41 -17.222 -3.861 3.348 326 1HB LYS 41 2HB LYS 41 -19.288 -5.137 3.641 327 2HB LYS 41 1HB LYS 41 -19.634 -3.412 3.660 328 1HG LYS 41 2HG LYS 41 -20.189 -3.615 1.189 329 2HG LYS 41 1HG LYS 41 -20.086 -5.358 1.390 330 1HD LYS 41 2HD LYS 41 -22.414 -4.640 1.621 331 2HD LYS 41 1HD LYS 41 -21.816 -5.235 3.169 332 1HE LYS 41 2HE LYS 41 -21.233 -2.417 3.034 333 2HE LYS 41 1HE LYS 41 -22.937 -2.662 2.604 334 1HZ LYS 41 1HZ LYS 41 -22.720 -2.561 4.990 335 2HZ LYS 41 2HZ LYS 41 -21.542 -3.785 4.977 336 3HZ LYS 41 3HZ LYS 41 -23.144 -4.139 4.536 337 H LYS 42 H LYS 42 -17.690 -3.968 -0.092 338 HA LYS 42 HA LYS 42 -17.165 -6.860 -0.319 339 1HB LYS 42 2HB LYS 42 -18.689 -5.571 -1.830 340 2HB LYS 42 1HB LYS 42 -17.312 -4.619 -2.366 341 1HG LYS 42 2HG LYS 42 -17.866 -6.457 -3.946 342 2HG LYS 42 1HG LYS 42 -16.236 -6.611 -3.285 343 1HD LYS 42 2HD LYS 42 -16.734 -8.544 -2.186 344 2HD LYS 42 1HD LYS 42 -18.320 -7.959 -1.682 345 1HE LYS 42 2HE LYS 42 -19.361 -8.951 -3.446 346 2HE LYS 42 1HE LYS 42 -18.099 -8.447 -4.587 347 1HZ LYS 42 1HZ LYS 42 -17.882 -10.648 -2.598 348 2HZ LYS 42 2HZ LYS 42 -16.632 -10.132 -3.626 349 3HZ LYS 42 3HZ LYS 42 -18.033 -10.839 -4.277 350 H LEU 43 H LEU 43 -15.291 -4.031 0.119 351 HA LEU 43 HA LEU 43 -12.943 -5.062 -1.381 352 1HB LEU 43 2HB LEU 43 -13.732 -2.517 0.032 353 2HB LEU 43 1HB LEU 43 -12.049 -2.806 -0.406 354 HG LEU 43 HG LEU 43 -14.259 -3.126 -2.433 355 1HD1 LEU 43 1HD1 LEU 43 -12.691 -0.589 -1.894 356 2HD1 LEU 43 2HD1 LEU 43 -14.362 -0.838 -1.390 357 3HD1 LEU 43 3HD1 LEU 43 -13.953 -0.818 -3.105 358 1HD2 LEU 43 1HD2 LEU 43 -12.285 -3.983 -3.324 359 2HD2 LEU 43 2HD2 LEU 43 -11.269 -2.864 -2.415 360 3HD2 LEU 43 3HD2 LEU 43 -12.163 -2.297 -3.825 361 H GLY 44 H GLY 44 -14.140 -4.519 1.888 362 1HA GLY 44 2HA GLY 44 -11.652 -5.103 3.249 363 2HA GLY 44 1HA GLY 44 -13.255 -5.116 3.991 364 H GLU 45 H GLU 45 -14.407 -7.004 2.135 365 HA GLU 45 HA GLU 45 -13.900 -9.478 3.423 366 1HB GLU 45 2HB GLU 45 -15.186 -8.539 0.884 367 2HB GLU 45 1HB GLU 45 -14.933 -10.272 1.089 368 1HG GLU 45 2HG GLU 45 -16.095 -10.149 3.291 369 2HG GLU 45 1HG GLU 45 -16.424 -8.442 2.991 370 H MET 46 H MET 46 -12.509 -8.131 0.432 371 HA MET 46 HA MET 46 -10.944 -10.517 -0.182 372 1HB MET 46 2HB MET 46 -10.848 -7.640 -1.149 373 2HB MET 46 1HB MET 46 -9.986 -8.981 -1.905 374 1HG MET 46 2HG MET 46 -12.145 -10.135 -2.294 375 2HG MET 46 1HG MET 46 -12.993 -8.762 -1.583 376 1HE MET 46 1HE MET 46 -12.729 -10.396 -4.492 377 2HE MET 46 2HE MET 46 -13.100 -9.157 -5.688 378 3HE MET 46 3HE MET 46 -14.131 -9.340 -4.271 379 H TRP 47 H TRP 47 -10.147 -7.245 1.054 380 HA TRP 47 HA TRP 47 -7.353 -7.624 1.397 381 1HB TRP 47 2HB TRP 47 -8.641 -5.482 1.531 382 2HB TRP 47 1HB TRP 47 -9.273 -5.997 3.096 383 HD1 TRP 47 HD TRP 47 -7.929 -5.195 5.089 384 HE1 TRP 47 1HE TRP 47 -5.498 -4.446 5.506 385 HE3 TRP 47 3HE TRP 47 -5.959 -5.970 0.442 386 HZ2 TRP 47 2HZ TRP 47 -3.041 -4.208 4.060 387 HZ3 TRP 47 3HZ TRP 47 -3.573 -5.474 -0.010 388 HH2 TRP 47 HH TRP 47 -2.113 -4.596 1.790 389 H SER 48 H SER 48 -10.050 -8.776 3.336 390 HA SER 48 HA SER 48 -8.363 -9.438 5.659 391 1HB SER 48 2HB SER 48 -10.548 -10.368 6.466 392 2HB SER 48 1HB SER 48 -10.677 -8.696 5.930 393 HG SER 48 HG SER 48 -11.622 -11.052 4.758 394 H GLU 49 H GLU 49 -9.931 -11.111 2.944 395 HA GLU 49 HA GLU 49 -9.393 -13.806 3.770 396 1HB GLU 49 2HB GLU 49 -9.859 -12.397 1.136 397 2HB GLU 49 1HB GLU 49 -9.595 -14.141 1.206 398 1HG GLU 49 2HG GLU 49 -11.660 -12.805 2.953 399 2HG GLU 49 1HG GLU 49 -12.040 -13.300 1.303 400 H GLN 50 H GLN 50 -7.448 -11.384 2.093 401 HA GLN 50 HA GLN 50 -5.353 -13.073 1.114 402 1HB GLN 50 2HB GLN 50 -5.465 -10.183 2.030 403 2HB GLN 50 1HB GLN 50 -4.065 -10.884 1.218 404 1HG GLN 50 2HG GLN 50 -6.855 -10.983 0.049 405 2HG GLN 50 1HG GLN 50 -5.713 -9.684 -0.305 406 1HE2 GLN 50 1HE2 GLN 50 -6.844 -12.189 -1.890 407 2HE2 GLN 50 2HE2 GLN 50 -5.443 -12.824 -2.607 408 H SER 51 H SER 51 -3.352 -13.650 2.062 409 HA SER 51 HA SER 51 -3.321 -13.644 5.048 410 1HB SER 51 2HB SER 51 -1.659 -15.203 3.043 411 2HB SER 51 1HB SER 51 -1.832 -15.546 4.761 412 HG SER 51 HG SER 51 -3.289 -16.856 3.832 413 H ALA 52 H ALA 52 -0.428 -14.142 5.122 414 HA ALA 52 HA ALA 52 0.504 -11.358 5.034 415 1HB ALA 52 1HB ALA 52 1.026 -12.915 6.879 416 2HB ALA 52 2HB ALA 52 2.507 -12.384 6.084 417 3HB ALA 52 3HB ALA 52 1.851 -13.986 5.748 418 H LYS 53 H LYS 53 -0.030 -11.875 2.439 419 HA LYS 53 HA LYS 53 2.666 -12.345 1.212 420 1HB LYS 53 2HB LYS 53 0.571 -14.081 1.090 421 2HB LYS 53 1HB LYS 53 0.225 -13.073 -0.315 422 1HG LYS 53 2HG LYS 53 1.626 -14.725 -1.212 423 2HG LYS 53 1HG LYS 53 2.752 -13.410 -0.875 424 1HD LYS 53 2HD LYS 53 3.289 -14.465 1.314 425 2HD LYS 53 1HD LYS 53 2.222 -15.808 0.904 426 1HE LYS 53 2HE LYS 53 3.639 -16.130 -1.202 427 2HE LYS 53 1HE LYS 53 4.803 -15.010 -0.467 428 1HZ LYS 53 1HZ LYS 53 3.739 -17.485 0.789 429 2HZ LYS 53 2HZ LYS 53 4.811 -16.391 1.525 430 3HZ LYS 53 3HZ LYS 53 5.305 -17.287 0.169 431 H ASP 54 H ASP 54 -0.621 -11.051 0.615 432 HA ASP 54 HA ASP 54 0.125 -9.325 -1.572 433 1HB ASP 54 2HB ASP 54 -2.176 -10.240 -0.568 434 2HB ASP 54 1HB ASP 54 -2.143 -8.688 0.272 435 H LYS 55 H LYS 55 -0.029 -8.830 1.948 436 HA LYS 55 HA LYS 55 0.387 -5.969 1.839 437 1HB LYS 55 2HB LYS 55 -0.526 -7.555 3.704 438 2HB LYS 55 1HB LYS 55 1.173 -7.760 4.129 439 1HG LYS 55 2HG LYS 55 1.435 -5.506 4.705 440 2HG LYS 55 1HG LYS 55 0.045 -4.999 3.745 441 1HD LYS 55 2HD LYS 55 -1.502 -5.813 5.332 442 2HD LYS 55 1HD LYS 55 -0.290 -6.823 6.122 443 1HE LYS 55 2HE LYS 55 0.878 -4.411 6.471 444 2HE LYS 55 1HE LYS 55 -0.825 -3.914 6.458 445 1HZ LYS 55 1HZ LYS 55 -1.285 -5.734 8.032 446 2HZ LYS 55 2HZ LYS 55 -0.220 -4.578 8.678 447 3HZ LYS 55 3HZ LYS 55 0.375 -6.067 8.118 448 H GLN 56 H GLN 56 2.585 -8.755 2.175 449 HA GLN 56 HA GLN 56 4.984 -7.644 2.942 450 1HB GLN 56 2HB GLN 56 4.101 -9.809 1.139 451 2HB GLN 56 1HB GLN 56 5.776 -9.305 0.921 452 1HG GLN 56 2HG GLN 56 4.636 -9.883 3.659 453 2HG GLN 56 1HG GLN 56 5.340 -11.154 2.657 454 1HE2 GLN 56 1HE2 GLN 56 6.083 -8.310 4.594 455 2HE2 GLN 56 2HE2 GLN 56 7.772 -8.453 4.495 456 HA PRO 57 HA PRO 57 6.188 -6.022 -1.360 457 1HB PRO 57 2HB PRO 57 4.439 -6.167 -3.439 458 2HB PRO 57 1HB PRO 57 5.551 -7.487 -3.023 459 1HG PRO 57 2HG PRO 57 2.657 -7.201 -2.455 460 2HG PRO 57 1HG PRO 57 3.583 -8.648 -2.873 461 1HD PRO 57 2HD PRO 57 2.767 -8.002 -0.329 462 2HD PRO 57 1HD PRO 57 4.146 -9.055 -0.710 463 H TYR 58 H TYR 58 2.701 -5.604 -0.785 464 HA TYR 58 HA TYR 58 2.669 -2.860 -1.813 465 1HB TYR 58 2HB TYR 58 0.830 -4.944 -0.869 466 2HB TYR 58 1HB TYR 58 0.307 -3.325 -0.444 467 HD1 TYR 58 1HD TYR 58 0.734 -5.738 -3.108 468 HD2 TYR 58 2HD TYR 58 0.086 -1.577 -2.264 469 HE1 TYR 58 1HE TYR 58 -0.022 -5.383 -5.443 470 HE2 TYR 58 2HE TYR 58 -0.670 -1.222 -4.599 471 HH TYR 58 HH TYR 58 -0.255 -3.607 -7.048 472 H GLU 59 H GLU 59 3.457 -4.218 1.255 473 HA GLU 59 HA GLU 59 2.520 -1.935 2.848 474 1HB GLU 59 2HB GLU 59 3.515 -3.180 4.695 475 2HB GLU 59 1HB GLU 59 2.638 -4.296 3.660 476 1HG GLU 59 2HG GLU 59 4.567 -5.507 3.719 477 2HG GLU 59 1HG GLU 59 5.116 -4.355 2.504 478 H GLN 60 H GLN 60 5.517 -2.865 1.254 479 HA GLN 60 HA GLN 60 7.228 -1.011 2.696 480 1HB GLN 60 2HB GLN 60 8.814 -1.593 0.864 481 2HB GLN 60 1HB GLN 60 8.069 -3.020 1.577 482 1HG GLN 60 2HG GLN 60 6.688 -3.382 -0.272 483 2HG GLN 60 1HG GLN 60 6.820 -1.715 -0.828 484 1HE2 GLN 60 1HE2 GLN 60 8.436 -1.267 -2.367 485 2HE2 GLN 60 2HE2 GLN 60 9.647 -2.364 -2.828 486 H LYS 61 H LYS 61 4.992 -0.681 0.051 487 HA LYS 61 HA LYS 61 6.145 1.602 -1.271 488 1HB LYS 61 2HB LYS 61 4.405 0.185 -2.256 489 2HB LYS 61 1HB LYS 61 3.292 0.595 -0.952 490 1HG LYS 61 2HG LYS 61 3.049 2.826 -1.706 491 2HG LYS 61 1HG LYS 61 4.483 2.727 -2.730 492 1HD LYS 61 2HD LYS 61 3.186 0.843 -3.972 493 2HD LYS 61 1HD LYS 61 1.762 1.516 -3.177 494 1HE LYS 61 2HE LYS 61 3.679 3.276 -4.726 495 2HE LYS 61 1HE LYS 61 2.309 2.463 -5.510 496 1HZ LYS 61 1HZ LYS 61 2.129 4.194 -3.099 497 2HZ LYS 61 2HZ LYS 61 0.828 3.422 -3.870 498 3HZ LYS 61 3HZ LYS 61 1.678 4.657 -4.667 499 H ALA 62 H ALA 62 3.815 1.302 1.417 500 HA ALA 62 HA ALA 62 3.564 4.208 1.722 501 1HB ALA 62 1HB ALA 62 1.640 3.026 2.319 502 2HB ALA 62 2HB ALA 62 2.398 3.251 3.896 503 3HB ALA 62 3HB ALA 62 2.558 1.711 3.051 504 H ALA 63 H ALA 63 5.736 1.747 2.839 505 HA ALA 63 HA ALA 63 6.516 2.760 5.382 506 1HB ALA 63 1HB ALA 63 8.551 1.439 4.952 507 2HB ALA 63 2HB ALA 63 8.166 1.388 3.232 508 3HB ALA 63 3HB ALA 63 7.128 0.560 4.393 509 H LYS 64 H LYS 64 7.555 3.670 2.078 510 HA LYS 64 HA LYS 64 9.693 5.429 2.943 511 1HB LYS 64 2HB LYS 64 8.024 5.285 0.408 512 2HB LYS 64 1HB LYS 64 9.530 6.189 0.570 513 1HG LYS 64 2HG LYS 64 9.374 3.235 1.187 514 2HG LYS 64 1HG LYS 64 9.705 3.831 -0.441 515 1HD LYS 64 2HD LYS 64 11.577 5.225 0.595 516 2HD LYS 64 1HD LYS 64 11.344 4.272 2.062 517 1HE LYS 64 2HE LYS 64 11.653 2.189 0.617 518 2HE LYS 64 1HE LYS 64 12.199 3.280 -0.673 519 1HZ LYS 64 1HZ LYS 64 13.807 4.231 0.875 520 2HZ LYS 64 2HZ LYS 64 14.071 2.565 0.676 521 3HZ LYS 64 3HZ LYS 64 13.313 3.145 2.081 522 H LEU 65 H LEU 65 6.532 6.247 1.465 523 HA LEU 65 HA LEU 65 6.442 8.986 1.886 524 1HB LEU 65 2HB LEU 65 4.423 6.774 1.858 525 2HB LEU 65 1HB LEU 65 3.876 8.407 2.240 526 HG LEU 65 HG LEU 65 5.303 9.056 0.118 527 1HD1 LEU 65 1HD1 LEU 65 4.963 7.118 -1.576 528 2HD1 LEU 65 2HD1 LEU 65 4.835 6.089 -0.151 529 3HD1 LEU 65 3HD1 LEU 65 6.315 7.000 -0.450 530 1HD2 LEU 65 1HD2 LEU 65 3.296 8.911 -1.216 531 2HD2 LEU 65 2HD2 LEU 65 2.797 9.211 0.449 532 3HD2 LEU 65 3HD2 LEU 65 2.673 7.588 -0.230 533 H LYS 66 H LYS 66 6.156 6.524 4.383 534 HA LYS 66 HA LYS 66 4.888 8.157 6.407 535 1HB LYS 66 2HB LYS 66 5.051 5.669 6.400 536 2HB LYS 66 1HB LYS 66 6.791 5.801 6.650 537 1HG LYS 66 2HG LYS 66 5.893 5.479 8.825 538 2HG LYS 66 1HG LYS 66 6.217 7.210 8.723 539 1HD LYS 66 2HD LYS 66 3.967 7.762 8.553 540 2HD LYS 66 1HD LYS 66 3.527 6.193 7.877 541 1HE LYS 66 2HE LYS 66 4.654 6.070 10.612 542 2HE LYS 66 1HE LYS 66 3.080 6.879 10.485 543 1HZ LYS 66 1HZ LYS 66 2.758 4.504 10.688 544 2HZ LYS 66 2HZ LYS 66 3.781 4.217 9.361 545 3HZ LYS 66 3HZ LYS 66 2.295 5.008 9.136 546 H GLU 67 H GLU 67 8.301 7.321 5.745 547 HA GLU 67 HA GLU 67 9.445 8.934 7.831 548 1HB GLU 67 2HB GLU 67 10.449 7.862 5.178 549 2HB GLU 67 1HB GLU 67 11.501 8.676 6.337 550 1HG GLU 67 2HG GLU 67 10.978 7.014 8.043 551 2HG GLU 67 1HG GLU 67 9.821 6.232 6.965 552 H LYS 68 H LYS 68 9.231 9.560 4.299 553 HA LYS 68 HA LYS 68 10.187 12.228 4.313 554 1HB LYS 68 2HB LYS 68 8.195 10.745 2.576 555 2HB LYS 68 1HB LYS 68 8.814 12.346 2.168 556 1HG LYS 68 2HG LYS 68 11.129 11.455 2.250 557 2HG LYS 68 1HG LYS 68 10.483 9.850 2.597 558 1HD LYS 68 2HD LYS 68 9.109 10.120 0.438 559 2HD LYS 68 1HD LYS 68 10.174 11.479 0.072 560 1HE LYS 68 2HE LYS 68 11.238 8.723 0.767 561 2HE LYS 68 1HE LYS 68 10.930 9.248 -0.902 562 1HZ LYS 68 1HZ LYS 68 12.623 10.691 1.070 563 2HZ LYS 68 2HZ LYS 68 12.326 11.177 -0.530 564 3HZ LYS 68 3HZ LYS 68 13.208 9.758 -0.220 565 H TYR 69 H TYR 69 7.041 10.948 5.209 566 HA TYR 69 HA TYR 69 5.626 13.500 5.131 567 1HB TYR 69 2HB TYR 69 4.454 11.381 4.879 568 2HB TYR 69 1HB TYR 69 5.107 10.786 6.402 569 HD1 TYR 69 1HD TYR 69 2.634 13.019 4.834 570 HD2 TYR 69 2HD TYR 69 4.263 11.612 8.550 571 HE1 TYR 69 1HE TYR 69 0.701 13.989 6.050 572 HE2 TYR 69 2HE TYR 69 2.331 12.581 9.765 573 HH TYR 69 HH TYR 69 -0.383 13.228 8.681 574 H GLU 70 H GLU 70 6.323 11.378 7.912 575 HA GLU 70 HA GLU 70 5.974 13.235 9.988 576 1HB GLU 70 2HB GLU 70 7.415 10.693 9.526 577 2HB GLU 70 1HB GLU 70 7.979 11.622 10.916 578 1HG GLU 70 2HG GLU 70 5.602 11.789 11.699 579 2HG GLU 70 1HG GLU 70 5.135 10.717 10.379 580 H LYS 71 H LYS 71 8.690 12.981 7.781 581 HA LYS 71 HA LYS 71 10.409 14.720 9.456 582 1HB LYS 71 2HB LYS 71 10.661 13.158 6.891 583 2HB LYS 71 1HB LYS 71 11.894 14.334 7.345 584 1HG LYS 71 2HG LYS 71 12.314 13.181 9.434 585 2HG LYS 71 1HG LYS 71 10.962 12.084 9.148 586 1HD LYS 71 2HD LYS 71 12.077 11.107 7.233 587 2HD LYS 71 1HD LYS 71 13.371 12.303 7.324 588 1HE LYS 71 2HE LYS 71 14.281 10.375 8.387 589 2HE LYS 71 1HE LYS 71 13.746 11.394 9.739 590 1HZ LYS 71 1HZ LYS 71 12.895 9.135 9.967 591 2HZ LYS 71 2HZ LYS 71 12.142 9.248 8.448 592 3HZ LYS 71 3HZ LYS 71 11.625 10.234 9.730 593 H ASP 72 H ASP 72 9.402 14.805 6.015 594 HA ASP 72 HA ASP 72 10.053 17.521 5.536 595 1HB ASP 72 2HB ASP 72 9.466 15.642 3.918 596 2HB ASP 72 1HB ASP 72 7.773 15.973 4.283 597 H ILE 73 H ILE 73 7.131 16.116 6.964 598 HA ILE 73 HA ILE 73 5.417 18.392 6.719 599 HB ILE 73 HB ILE 73 4.846 16.002 7.344 600 1HG1 ILE 73 2HG1 ILE 73 3.179 16.809 9.198 601 2HG1 ILE 73 1HG1 ILE 73 3.848 18.404 8.848 602 1HG2 ILE 73 1HG2 ILE 73 6.672 15.893 9.135 603 2HG2 ILE 73 2HG2 ILE 73 5.099 15.239 9.591 604 3HG2 ILE 73 3HG2 ILE 73 5.587 16.837 10.156 605 1HD1 ILE 73 1HD1 ILE 73 3.241 18.208 6.506 606 2HD1 ILE 73 2HD1 ILE 73 1.814 17.858 7.481 607 3HD1 ILE 73 3HD1 ILE 73 2.721 16.540 6.740 608 H ALA 74 H ALA 74 7.866 17.547 9.141 609 HA ALA 74 HA ALA 74 7.267 19.517 11.113 610 1HB ALA 74 1HB ALA 74 9.935 18.370 10.218 611 2HB ALA 74 2HB ALA 74 8.829 17.606 11.359 612 3HB ALA 74 3HB ALA 74 9.617 19.127 11.778 613 H ALA 75 H ALA 75 9.624 19.677 8.415 614 HA ALA 75 HA ALA 75 10.221 22.491 8.830 615 1HB ALA 75 1HB ALA 75 10.667 20.537 6.551 616 2HB ALA 75 2HB ALA 75 11.821 20.977 7.811 617 3HB ALA 75 3HB ALA 75 11.352 22.162 6.591 618 H TYR 76 H TYR 76 7.821 20.709 6.994 619 HA TYR 76 HA TYR 76 7.089 22.755 5.108 620 1HB TYR 76 2HB TYR 76 6.522 20.316 5.012 621 2HB TYR 76 1HB TYR 76 5.415 20.553 6.366 622 HD1 TYR 76 1HD TYR 76 3.219 21.353 6.008 623 HD2 TYR 76 2HD TYR 76 6.150 21.696 2.887 624 HE1 TYR 76 1HE TYR 76 1.454 22.097 4.433 625 HE2 TYR 76 2HE TYR 76 4.385 22.441 1.312 626 HH TYR 76 HH TYR 76 1.484 23.575 2.206 627 H ARG 77 H ARG 77 6.181 22.116 8.455 628 HA ARG 77 HA ARG 77 4.019 24.113 8.457 629 1HB ARG 77 2HB ARG 77 5.288 22.170 10.355 630 2HB ARG 77 1HB ARG 77 4.324 23.486 11.027 631 1HG ARG 77 2HG ARG 77 2.409 22.828 9.653 632 2HG ARG 77 1HG ARG 77 3.367 21.557 8.893 633 1HD ARG 77 2HD ARG 77 3.351 20.215 10.802 634 2HD ARG 77 1HD ARG 77 3.119 21.597 11.891 635 HE ARG 77 HE ARG 77 0.985 20.499 10.103 636 1HH1 ARG 77 1HH1 ARG 77 0.948 20.069 13.097 637 2HH1 ARG 77 2HH1 ARG 77 -0.128 21.324 13.616 638 1HH2 ARG 77 1HH2 ARG 77 0.081 23.094 10.641 639 2HH2 ARG 77 2HH2 ARG 77 -0.619 23.037 12.224 640 H ALA 78 H ALA 78 6.627 23.910 10.882 641 HA ALA 78 HA ALA 78 7.851 26.448 10.146 642 1HB ALA 78 1HB ALA 78 6.962 27.609 12.220 643 2HB ALA 78 2HB ALA 78 5.834 26.264 12.404 644 3HB ALA 78 3HB ALA 78 5.747 27.301 10.979 645 H LYS 79 H LYS 79 8.911 23.888 10.725 646 HA LYS 79 HA LYS 79 10.347 24.409 13.307 647 1HB LYS 79 2HB LYS 79 8.810 22.104 12.295 648 2HB LYS 79 1HB LYS 79 10.370 21.683 13.002 649 1HG LYS 79 2HG LYS 79 9.799 22.572 15.102 650 2HG LYS 79 1HG LYS 79 8.504 23.566 14.432 651 1HD LYS 79 2HD LYS 79 8.425 20.543 14.378 652 2HD LYS 79 1HD LYS 79 7.751 21.488 15.707 653 1HE LYS 79 2HE LYS 79 6.324 22.721 14.050 654 2HE LYS 79 1HE LYS 79 6.922 21.627 12.787 655 1HZ LYS 79 1HZ LYS 79 6.165 19.745 14.080 656 2HZ LYS 79 2HZ LYS 79 4.863 20.800 13.797 657 3HZ LYS 79 3HZ LYS 79 5.620 20.768 15.318 Start of MODEL 28 1 1H MET 1 1HT MET 1 -13.203 21.722 5.339 2 2H MET 1 2HT MET 1 -14.639 21.884 4.446 3 3H MET 1 3HT MET 1 -13.739 23.261 4.870 4 HA MET 1 HA MET 1 -12.850 21.116 3.006 5 1HB MET 1 2HB MET 1 -14.751 22.780 2.430 6 2HB MET 1 1HB MET 1 -13.490 24.014 2.442 7 1HG MET 1 2HG MET 1 -12.249 22.839 0.717 8 2HG MET 1 1HG MET 1 -13.376 21.483 0.776 9 1HE MET 1 1HE MET 1 -12.482 23.830 -1.769 10 2HE MET 1 2HE MET 1 -13.874 23.236 -2.669 11 3HE MET 1 3HE MET 1 -12.889 22.109 -1.741 12 H LYS 2 H LYS 2 -10.654 20.950 3.223 13 HA LYS 2 HA LYS 2 -9.079 23.320 4.120 14 1HB LYS 2 2HB LYS 2 -8.742 20.333 4.065 15 2HB LYS 2 1HB LYS 2 -7.316 21.362 4.201 16 1HG LYS 2 2HG LYS 2 -7.819 21.141 6.442 17 2HG LYS 2 1HG LYS 2 -8.813 22.548 6.068 18 1HD LYS 2 2HD LYS 2 -10.287 21.085 7.205 19 2HD LYS 2 1HD LYS 2 -10.675 20.850 5.501 20 1HE LYS 2 2HE LYS 2 -8.654 19.009 5.886 21 2HE LYS 2 1HE LYS 2 -9.519 18.963 7.435 22 1HZ LYS 2 1HZ LYS 2 -10.763 18.776 4.742 23 2HZ LYS 2 2HZ LYS 2 -11.609 18.793 6.215 24 3HZ LYS 2 3HZ LYS 2 -10.580 17.494 5.838 25 H LYS 3 H LYS 3 -8.492 24.548 2.347 26 HA LYS 3 HA LYS 3 -8.098 23.492 -0.305 27 1HB LYS 3 2HB LYS 3 -8.694 25.878 0.614 28 2HB LYS 3 1HB LYS 3 -6.944 26.082 0.697 29 1HG LYS 3 2HG LYS 3 -7.048 25.111 -1.769 30 2HG LYS 3 1HG LYS 3 -8.698 25.731 -1.703 31 1HD LYS 3 2HD LYS 3 -8.020 27.925 -1.595 32 2HD LYS 3 1HD LYS 3 -6.537 27.533 -0.724 33 1HE LYS 3 2HE LYS 3 -5.721 26.439 -2.904 34 2HE LYS 3 1HE LYS 3 -7.077 27.273 -3.692 35 1HZ LYS 3 1HZ LYS 3 -4.952 28.532 -2.036 36 2HZ LYS 3 2HZ LYS 3 -6.308 29.349 -2.656 37 3HZ LYS 3 3HZ LYS 3 -5.147 28.698 -3.712 38 H LYS 4 H LYS 4 -6.538 21.733 0.673 39 HA LYS 4 HA LYS 4 -3.868 22.451 1.439 40 1HB LYS 4 2HB LYS 4 -5.022 19.925 0.210 41 2HB LYS 4 1HB LYS 4 -3.469 20.026 1.039 42 1HG LYS 4 2HG LYS 4 -5.137 21.153 2.898 43 2HG LYS 4 1HG LYS 4 -6.201 19.953 2.163 44 1HD LYS 4 2HD LYS 4 -5.173 18.668 3.804 45 2HD LYS 4 1HD LYS 4 -4.095 18.379 2.438 46 1HE LYS 4 2HE LYS 4 -2.419 19.776 3.290 47 2HE LYS 4 1HE LYS 4 -3.561 20.696 4.289 48 1HZ LYS 4 1HZ LYS 4 -3.959 18.692 5.599 49 2HZ LYS 4 2HZ LYS 4 -2.320 19.137 5.652 50 3HZ LYS 4 3HZ LYS 4 -2.821 17.842 4.672 51 H ASP 5 H ASP 5 -2.786 20.424 -0.760 52 HA ASP 5 HA ASP 5 -2.973 21.850 -3.275 53 1HB ASP 5 2HB ASP 5 -1.044 22.656 -1.206 54 2HB ASP 5 1HB ASP 5 -0.274 22.288 -2.749 55 HA PRO 6 HA PRO 6 -1.049 18.137 -4.706 56 1HB PRO 6 2HB PRO 6 0.846 18.927 -6.523 57 2HB PRO 6 1HB PRO 6 -0.897 19.000 -6.853 58 1HG PRO 6 2HG PRO 6 0.961 21.174 -6.013 59 2HG PRO 6 1HG PRO 6 -0.353 21.210 -7.201 60 1HD PRO 6 2HD PRO 6 -0.615 22.218 -4.702 61 2HD PRO 6 1HD PRO 6 -1.975 21.505 -5.598 62 H ASN 7 H ASN 7 1.251 20.659 -3.829 63 HA ASN 7 HA ASN 7 3.497 18.880 -3.387 64 1HB ASN 7 2HB ASN 7 4.511 20.941 -2.443 65 2HB ASN 7 1HB ASN 7 3.705 21.252 -3.980 66 1HD2 ASN 7 1HD2 ASN 7 2.349 23.045 -3.947 67 2HD2 ASN 7 2HD2 ASN 7 1.592 23.674 -2.562 68 H ALA 8 H ALA 8 0.720 18.962 -1.587 69 HA ALA 8 HA ALA 8 2.067 18.748 1.060 70 1HB ALA 8 1HB ALA 8 -0.846 18.760 0.182 71 2HB ALA 8 2HB ALA 8 0.038 20.146 0.823 72 3HB ALA 8 3HB ALA 8 -0.295 18.758 1.857 73 HA PRO 9 HA PRO 9 1.722 14.348 0.649 74 1HB PRO 9 2HB PRO 9 1.920 13.564 3.252 75 2HB PRO 9 1HB PRO 9 3.289 14.211 2.332 76 1HG PRO 9 2HG PRO 9 1.688 15.473 4.451 77 2HG PRO 9 1HG PRO 9 3.348 15.799 3.940 78 1HD PRO 9 2HD PRO 9 1.030 17.301 3.301 79 2HD PRO 9 1HD PRO 9 2.668 17.521 2.650 80 H LYS 10 H LYS 10 -0.872 15.592 0.619 81 HA LYS 10 HA LYS 10 -2.848 14.903 2.379 82 1HB LYS 10 2HB LYS 10 -2.564 15.445 -0.428 83 2HB LYS 10 1HB LYS 10 -3.818 14.229 -0.207 84 1HG LYS 10 2HG LYS 10 -5.185 15.657 0.974 85 2HG LYS 10 1HG LYS 10 -3.833 16.581 1.628 86 1HD LYS 10 2HD LYS 10 -4.987 17.967 0.008 87 2HD LYS 10 1HD LYS 10 -3.424 17.499 -0.668 88 1HE LYS 10 2HE LYS 10 -4.512 15.691 -1.957 89 2HE LYS 10 1HE LYS 10 -6.085 16.152 -1.275 90 1HZ LYS 10 1HZ LYS 10 -4.292 17.820 -2.953 91 2HZ LYS 10 2HZ LYS 10 -5.625 18.445 -2.104 92 3HZ LYS 10 3HZ LYS 10 -5.859 17.294 -3.332 93 H ARG 11 H ARG 11 -3.955 13.117 3.032 94 HA ARG 11 HA ARG 11 -4.384 10.839 3.473 95 1HB ARG 11 2HB ARG 11 -5.263 11.431 1.099 96 2HB ARG 11 1HB ARG 11 -3.905 10.458 0.526 97 1HG ARG 11 2HG ARG 11 -5.521 8.810 0.708 98 2HG ARG 11 1HG ARG 11 -4.821 8.736 2.326 99 1HD ARG 11 2HD ARG 11 -6.621 10.524 2.945 100 2HD ARG 11 1HD ARG 11 -7.432 9.976 1.462 101 HE ARG 11 HE ARG 11 -6.979 7.596 2.548 102 1HH1 ARG 11 1HH2 ARG 11 -6.454 9.674 4.969 103 2HH1 ARG 11 2HH2 ARG 11 -7.852 9.290 5.918 104 1HH2 ARG 11 1HH1 ARG 11 -9.386 7.461 3.403 105 2HH2 ARG 11 2HH1 ARG 11 -9.512 8.038 5.031 106 HA PRO 12 HA PRO 12 -0.069 9.367 3.439 107 1HB PRO 12 2HB PRO 12 -0.182 8.109 5.865 108 2HB PRO 12 1HB PRO 12 0.144 9.845 5.696 109 1HG PRO 12 2HG PRO 12 -2.362 8.459 6.467 110 2HG PRO 12 1HG PRO 12 -1.699 9.999 7.027 111 1HD PRO 12 2HD PRO 12 -3.737 9.753 5.195 112 2HD PRO 12 1HD PRO 12 -2.682 11.176 5.347 113 HA PRO 13 HA PRO 13 -1.652 5.389 2.111 114 1HB PRO 13 2HB PRO 13 0.657 4.391 1.048 115 2HB PRO 13 1HB PRO 13 -0.332 5.616 0.229 116 1HG PRO 13 2HG PRO 13 2.232 5.915 1.664 117 2HG PRO 13 1HG PRO 13 1.576 6.842 0.308 118 1HD PRO 13 2HD PRO 13 1.611 7.636 2.992 119 2HD PRO 13 1HD PRO 13 0.660 8.383 1.693 120 H SER 14 H SER 14 -1.412 3.135 2.783 121 HA SER 14 HA SER 14 0.693 2.439 4.729 122 1HB SER 14 2HB SER 14 -1.153 3.813 5.865 123 2HB SER 14 1HB SER 14 -2.211 2.434 5.581 124 HG SER 14 HG SER 14 -1.047 2.501 7.652 125 H ALA 15 H ALA 15 0.235 1.175 2.294 126 HA ALA 15 HA ALA 15 0.047 -0.986 1.435 127 1HB ALA 15 1HB ALA 15 -1.081 -2.310 3.777 128 2HB ALA 15 2HB ALA 15 0.321 -1.332 4.207 129 3HB ALA 15 3HB ALA 15 0.468 -2.589 2.979 130 H PHE 16 H PHE 16 -2.630 -1.047 3.831 131 HA PHE 16 HA PHE 16 -4.615 -2.167 2.253 132 1HB PHE 16 2HB PHE 16 -4.625 -1.456 4.695 133 2HB PHE 16 1HB PHE 16 -5.038 0.165 4.132 134 HD1 PHE 16 1HD PHE 16 -6.099 -3.347 3.319 135 HD2 PHE 16 2HD PHE 16 -7.306 0.669 4.237 136 HE1 PHE 16 1HE PHE 16 -8.477 -4.018 3.116 137 HE2 PHE 16 2HE PHE 16 -9.686 0.000 4.036 138 HZ PHE 16 HZ PHE 16 -10.270 -2.344 3.474 139 H PHE 17 H PHE 17 -4.098 1.368 2.590 140 HA PHE 17 HA PHE 17 -6.030 2.249 0.712 141 1HB PHE 17 2HB PHE 17 -4.647 3.597 2.349 142 2HB PHE 17 1HB PHE 17 -3.288 3.441 1.235 143 HD1 PHE 17 1HD PHE 17 -6.814 4.647 1.474 144 HD2 PHE 17 2HD PHE 17 -3.077 4.876 -0.631 145 HE1 PHE 17 1HE PHE 17 -7.678 6.558 0.150 146 HE2 PHE 17 2HE PHE 17 -3.940 6.787 -1.954 147 HZ PHE 17 HZ PHE 17 -6.240 7.629 -1.564 148 H LEU 18 H LEU 18 -2.638 1.276 0.203 149 HA LEU 18 HA LEU 18 -2.445 1.906 -2.576 150 1HB LEU 18 2HB LEU 18 -1.130 -0.340 -1.006 151 2HB LEU 18 1HB LEU 18 -0.531 0.363 -2.503 152 HG LEU 18 HG LEU 18 -0.782 1.772 0.179 153 1HD1 LEU 18 1HD1 LEU 18 1.749 2.008 -0.293 154 2HD1 LEU 18 2HD1 LEU 18 1.508 0.721 -1.474 155 3HD1 LEU 18 3HD1 LEU 18 1.155 0.432 0.230 156 1HD2 LEU 18 1HD2 LEU 18 0.371 3.656 -1.047 157 2HD2 LEU 18 2HD2 LEU 18 -1.286 3.374 -1.581 158 3HD2 LEU 18 3HD2 LEU 18 0.066 2.793 -2.554 159 H PHE 19 H PHE 19 -3.505 -1.054 -0.892 160 HA PHE 19 HA PHE 19 -3.963 -2.573 -3.334 161 1HB PHE 19 2HB PHE 19 -3.438 -3.511 -1.075 162 2HB PHE 19 1HB PHE 19 -5.009 -2.946 -0.507 163 HD1 PHE 19 1HD PHE 19 -7.053 -4.067 -1.127 164 HD2 PHE 19 2HD PHE 19 -3.291 -5.289 -2.801 165 HE1 PHE 19 1HE PHE 19 -8.116 -6.124 -2.017 166 HE2 PHE 19 2HE PHE 19 -4.353 -7.345 -3.690 167 HZ PHE 19 HZ PHE 19 -6.766 -7.763 -3.297 168 H CYS 20 H CYS 20 -6.182 -1.132 -0.910 169 HA CYS 20 HA CYS 20 -8.634 -1.635 -2.228 170 1HB CYS 20 2HB CYS 20 -7.565 0.380 -0.285 171 2HB CYS 20 1HB CYS 20 -9.176 0.643 -0.952 172 HG CYS 20 HG CYS 20 -8.468 -1.444 1.123 173 H SER 21 H SER 21 -6.733 1.403 -2.336 174 HA SER 21 HA SER 21 -8.241 2.802 -4.267 175 1HB SER 21 2HB SER 21 -6.238 4.130 -4.512 176 2HB SER 21 1HB SER 21 -6.292 3.575 -2.841 177 HG SER 21 HG SER 21 -4.567 2.417 -3.189 178 H GLU 22 H GLU 22 -5.896 0.206 -4.715 179 HA GLU 22 HA GLU 22 -5.819 0.541 -7.641 180 1HB GLU 22 2HB GLU 22 -4.523 -1.132 -5.539 181 2HB GLU 22 1HB GLU 22 -4.470 -1.702 -7.205 182 1HG GLU 22 2HG GLU 22 -3.588 1.057 -6.304 183 2HG GLU 22 1HG GLU 22 -2.493 -0.295 -6.594 184 H TYR 23 H TYR 23 -7.331 -1.594 -5.244 185 HA TYR 23 HA TYR 23 -8.431 -3.348 -7.371 186 1HB TYR 23 2HB TYR 23 -8.091 -3.365 -4.405 187 2HB TYR 23 1HB TYR 23 -9.387 -4.348 -5.082 188 HD1 TYR 23 1HD TYR 23 -5.736 -3.618 -5.456 189 HD2 TYR 23 2HD TYR 23 -8.915 -6.450 -6.029 190 HE1 TYR 23 1HE TYR 23 -4.082 -5.338 -6.130 191 HE2 TYR 23 2HE TYR 23 -7.260 -8.171 -6.702 192 HH TYR 23 HH TYR 23 -4.410 -8.330 -6.056 193 H ARG 24 H ARG 24 -9.364 -0.395 -6.488 194 HA ARG 24 HA ARG 24 -12.174 -0.932 -5.832 195 1HB ARG 24 2HB ARG 24 -10.342 1.412 -6.013 196 2HB ARG 24 1HB ARG 24 -12.078 1.694 -6.163 197 1HG ARG 24 2HG ARG 24 -12.538 0.835 -4.022 198 2HG ARG 24 1HG ARG 24 -10.988 0.000 -3.925 199 1HD ARG 24 2HD ARG 24 -9.819 1.952 -3.396 200 2HD ARG 24 1HD ARG 24 -11.020 3.000 -4.176 201 HE ARG 24 HE ARG 24 -11.767 1.448 -1.736 202 1HH1 ARG 24 1HH1 ARG 24 -10.237 4.269 -1.952 203 2HH1 ARG 24 2HH1 ARG 24 -11.541 5.295 -1.456 204 1HH2 ARG 24 1HH2 ARG 24 -13.950 2.819 -1.748 205 2HH2 ARG 24 2HH2 ARG 24 -13.643 4.474 -1.342 206 HA PRO 25 HA PRO 25 -12.694 1.088 -10.189 207 1HB PRO 25 2HB PRO 25 -10.652 0.747 -11.980 208 2HB PRO 25 1HB PRO 25 -10.839 2.193 -10.967 209 1HG PRO 25 2HG PRO 25 -9.050 -0.152 -10.607 210 2HG PRO 25 1HG PRO 25 -8.738 1.565 -10.307 211 1HD PRO 25 2HD PRO 25 -9.280 -0.211 -8.353 212 2HD PRO 25 1HD PRO 25 -9.698 1.509 -8.222 213 H LYS 26 H LYS 26 -11.124 -1.913 -9.471 214 HA LYS 26 HA LYS 26 -11.942 -3.397 -11.838 215 1HB LYS 26 2HB LYS 26 -10.116 -3.953 -10.141 216 2HB LYS 26 1HB LYS 26 -11.411 -4.361 -9.011 217 1HG LYS 26 2HG LYS 26 -11.377 -5.599 -11.753 218 2HG LYS 26 1HG LYS 26 -10.352 -6.262 -10.478 219 1HD LYS 26 2HD LYS 26 -12.532 -6.201 -9.038 220 2HD LYS 26 1HD LYS 26 -13.354 -6.110 -10.595 221 1HE LYS 26 2HE LYS 26 -13.237 -8.436 -10.221 222 2HE LYS 26 1HE LYS 26 -11.796 -8.149 -11.216 223 1HZ LYS 26 1HZ LYS 26 -10.503 -7.850 -9.194 224 2HZ LYS 26 2HZ LYS 26 -11.228 -9.387 -9.213 225 3HZ LYS 26 3HZ LYS 26 -11.875 -8.151 -8.243 226 H ILE 27 H ILE 27 -13.123 -3.156 -8.487 227 HA ILE 27 HA ILE 27 -15.440 -4.742 -8.592 228 HB ILE 27 HB ILE 27 -15.078 -2.054 -7.213 229 1HG1 ILE 27 2HG1 ILE 27 -13.163 -3.434 -6.628 230 2HG1 ILE 27 1HG1 ILE 27 -14.266 -3.406 -5.264 231 1HG2 ILE 27 1HG2 ILE 27 -16.571 -3.112 -5.491 232 2HG2 ILE 27 2HG2 ILE 27 -16.822 -4.450 -6.611 233 3HG2 ILE 27 3HG2 ILE 27 -17.349 -2.825 -7.046 234 1HD1 ILE 27 1HD1 ILE 27 -13.639 -5.673 -5.491 235 2HD1 ILE 27 2HD1 ILE 27 -13.823 -5.631 -7.244 236 3HD1 ILE 27 3HD1 ILE 27 -15.248 -5.570 -6.206 237 H LYS 28 H LYS 28 -14.908 -1.460 -9.725 238 HA LYS 28 HA LYS 28 -17.687 -0.800 -10.152 239 1HB LYS 28 2HB LYS 28 -15.482 0.506 -11.725 240 2HB LYS 28 1HB LYS 28 -16.886 1.236 -10.962 241 1HG LYS 28 2HG LYS 28 -14.298 0.376 -9.704 242 2HG LYS 28 1HG LYS 28 -15.005 1.974 -9.713 243 1HD LYS 28 2HD LYS 28 -16.000 -0.436 -8.153 244 2HD LYS 28 1HD LYS 28 -15.233 1.005 -7.498 245 1HE LYS 28 2HE LYS 28 -17.783 1.186 -9.126 246 2HE LYS 28 1HE LYS 28 -17.804 0.943 -7.368 247 1HZ LYS 28 1HZ LYS 28 -17.799 3.289 -7.812 248 2HZ LYS 28 2HZ LYS 28 -16.456 3.143 -8.842 249 3HZ LYS 28 3HZ LYS 28 -16.285 2.863 -7.175 250 H SER 29 H SER 29 -15.142 -2.123 -12.243 251 HA SER 29 HA SER 29 -16.481 -1.942 -14.748 252 1HB SER 29 2HB SER 29 -14.077 -2.571 -14.224 253 2HB SER 29 1HB SER 29 -14.666 -4.170 -13.782 254 HG SER 29 HG SER 29 -15.129 -4.580 -15.834 255 H GLU 30 H GLU 30 -16.983 -4.117 -12.044 256 HA GLU 30 HA GLU 30 -18.913 -5.716 -13.694 257 1HB GLU 30 2HB GLU 30 -16.840 -6.319 -11.693 258 2HB GLU 30 1HB GLU 30 -18.366 -7.145 -11.391 259 1HG GLU 30 2HG GLU 30 -17.072 -7.132 -14.121 260 2HG GLU 30 1HG GLU 30 -16.691 -8.359 -12.911 261 H HIS 31 H HIS 31 -18.534 -3.690 -10.873 262 HA HIS 31 HA HIS 31 -21.402 -4.213 -10.152 263 1HB HIS 31 2HB HIS 31 -19.164 -3.267 -8.330 264 2HB HIS 31 1HB HIS 31 -20.777 -3.772 -7.849 265 HD1 HIS 31 1HD HIS 31 -17.426 -5.087 -8.755 266 HD2 HIS 31 2HD HIS 31 -21.232 -6.631 -8.043 267 HE1 HIS 31 1HE HIS 31 -17.143 -7.585 -8.480 268 HA PRO 32 HA PRO 32 -21.168 0.162 -11.433 269 1HB PRO 32 2HB PRO 32 -23.757 0.332 -12.301 270 2HB PRO 32 1HB PRO 32 -22.437 -0.288 -13.304 271 1HG PRO 32 2HG PRO 32 -24.555 -1.762 -11.855 272 2HG PRO 32 1HG PRO 32 -23.765 -2.135 -13.393 273 1HD PRO 32 2HD PRO 32 -23.189 -3.357 -10.990 274 2HD PRO 32 1HD PRO 32 -22.101 -3.305 -12.393 275 H GLY 33 H GLY 33 -23.654 -1.510 -9.561 276 1HA GLY 33 2HA GLY 33 -24.627 0.928 -8.281 277 2HA GLY 33 1HA GLY 33 -25.084 -0.720 -7.862 278 H LEU 34 H LEU 34 -21.910 -1.097 -7.807 279 HA LEU 34 HA LEU 34 -21.619 -1.102 -4.965 280 1HB LEU 34 2HB LEU 34 -20.138 -1.775 -7.338 281 2HB LEU 34 1HB LEU 34 -19.076 -0.880 -6.260 282 HG LEU 34 HG LEU 34 -19.019 -3.345 -5.862 283 1HD1 LEU 34 1HD1 LEU 34 -18.325 -2.278 -3.956 284 2HD1 LEU 34 2HD1 LEU 34 -19.783 -3.034 -3.319 285 3HD1 LEU 34 3HD1 LEU 34 -19.810 -1.339 -3.806 286 1HD2 LEU 34 1HD2 LEU 34 -20.890 -4.586 -5.489 287 2HD2 LEU 34 2HD2 LEU 34 -21.754 -3.225 -6.202 288 3HD2 LEU 34 3HD2 LEU 34 -21.611 -3.356 -4.450 289 H SER 35 H SER 35 -22.374 1.136 -4.431 290 HA SER 35 HA SER 35 -20.817 3.464 -5.239 291 1HB SER 35 2HB SER 35 -23.192 3.556 -4.595 292 2HB SER 35 1HB SER 35 -22.793 2.959 -2.986 293 HG SER 35 HG SER 35 -23.012 5.310 -3.242 294 H ILE 36 H ILE 36 -19.931 4.881 -3.255 295 HA ILE 36 HA ILE 36 -17.583 3.724 -2.231 296 HB ILE 36 HB ILE 36 -19.345 5.942 -1.136 297 1HG1 ILE 36 2HG1 ILE 36 -18.544 6.290 -3.448 298 2HG1 ILE 36 1HG1 ILE 36 -17.759 7.411 -2.339 299 1HG2 ILE 36 1HG2 ILE 36 -17.115 6.727 -0.129 300 2HG2 ILE 36 2HG2 ILE 36 -16.528 5.090 -0.430 301 3HG2 ILE 36 3HG2 ILE 36 -17.891 5.352 0.659 302 1HD1 ILE 36 1HD1 ILE 36 -16.033 6.541 -3.764 303 2HD1 ILE 36 2HD1 ILE 36 -16.595 4.885 -3.538 304 3HD1 ILE 36 3HD1 ILE 36 -15.836 5.747 -2.201 305 H GLY 37 H GLY 37 -20.825 3.787 -0.767 306 1HA GLY 37 2HA GLY 37 -20.187 2.823 1.814 307 2HA GLY 37 1HA GLY 37 -21.720 2.516 0.996 308 H ASP 38 H ASP 38 -21.545 0.776 -0.781 309 HA ASP 38 HA ASP 38 -20.646 -1.700 0.390 310 1HB ASP 38 2HB ASP 38 -21.622 -0.804 -2.326 311 2HB ASP 38 1HB ASP 38 -21.188 -2.484 -2.012 312 H THR 39 H THR 39 -19.125 0.570 -1.869 313 HA THR 39 HA THR 39 -17.075 -1.225 -2.837 314 HB THR 39 HB THR 39 -17.176 1.796 -2.564 315 HG1 THR 39 1HG THR 39 -17.915 1.704 -4.647 316 1HG2 THR 39 1HG2 THR 39 -15.478 1.652 -4.471 317 2HG2 THR 39 2HG2 THR 39 -15.287 -0.049 -4.043 318 3HG2 THR 39 3HG2 THR 39 -14.877 1.206 -2.873 319 H ALA 40 H ALA 40 -17.393 0.736 0.065 320 HA ALA 40 HA ALA 40 -14.601 0.590 0.856 321 1HB ALA 40 1HB ALA 40 -17.210 1.169 2.288 322 2HB ALA 40 2HB ALA 40 -16.036 2.340 1.690 323 3HB ALA 40 3HB ALA 40 -15.634 1.315 3.067 324 H LYS 41 H LYS 41 -17.542 -1.213 1.780 325 HA LYS 41 HA LYS 41 -16.045 -3.024 3.520 326 1HB LYS 41 2HB LYS 41 -18.260 -3.987 3.910 327 2HB LYS 41 1HB LYS 41 -18.347 -2.230 3.970 328 1HG LYS 41 2HG LYS 41 -18.948 -2.441 1.422 329 2HG LYS 41 1HG LYS 41 -19.340 -4.104 1.840 330 1HD LYS 41 2HD LYS 41 -21.348 -2.723 2.034 331 2HD LYS 41 1HD LYS 41 -20.852 -3.272 3.633 332 1HE LYS 41 2HE LYS 41 -19.478 -0.813 3.164 333 2HE LYS 41 1HE LYS 41 -21.176 -0.563 2.709 334 1HZ LYS 41 1HZ LYS 41 -20.200 -1.768 5.245 335 2HZ LYS 41 2HZ LYS 41 -21.834 -1.640 4.794 336 3HZ LYS 41 3HZ LYS 41 -20.915 -0.239 5.076 337 H LYS 42 H LYS 42 -16.873 -3.049 0.108 338 HA LYS 42 HA LYS 42 -16.785 -5.974 -0.147 339 1HB LYS 42 2HB LYS 42 -17.975 -4.085 -1.551 340 2HB LYS 42 1HB LYS 42 -16.444 -4.029 -2.413 341 1HG LYS 42 2HG LYS 42 -17.785 -5.577 -3.604 342 2HG LYS 42 1HG LYS 42 -16.707 -6.582 -2.628 343 1HD LYS 42 2HD LYS 42 -19.189 -5.800 -1.240 344 2HD LYS 42 1HD LYS 42 -19.456 -6.802 -2.663 345 1HE LYS 42 2HE LYS 42 -17.215 -7.847 -1.157 346 2HE LYS 42 1HE LYS 42 -18.629 -7.678 -0.105 347 1HZ LYS 42 1HZ LYS 42 -18.762 -9.771 -1.259 348 2HZ LYS 42 2HZ LYS 42 -18.559 -9.005 -2.761 349 3HZ LYS 42 3HZ LYS 42 -19.970 -8.740 -1.854 350 H LEU 43 H LEU 43 -14.379 -3.790 0.527 351 HA LEU 43 HA LEU 43 -12.355 -5.090 -1.239 352 1HB LEU 43 2HB LEU 43 -12.557 -2.510 0.312 353 2HB LEU 43 1HB LEU 43 -10.995 -3.098 -0.259 354 HG LEU 43 HG LEU 43 -13.378 -2.818 -2.097 355 1HD1 LEU 43 1HD1 LEU 43 -11.137 -0.810 -1.892 356 2HD1 LEU 43 2HD1 LEU 43 -12.596 -0.643 -0.914 357 3HD1 LEU 43 3HD1 LEU 43 -12.708 -0.631 -2.674 358 1HD2 LEU 43 1HD2 LEU 43 -10.378 -3.009 -2.523 359 2HD2 LEU 43 2HD2 LEU 43 -11.559 -2.757 -3.809 360 3HD2 LEU 43 3HD2 LEU 43 -11.566 -4.261 -2.887 361 H GLY 44 H GLY 44 -13.329 -4.562 2.106 362 1HA GLY 44 2HA GLY 44 -10.909 -5.526 3.344 363 2HA GLY 44 1HA GLY 44 -12.483 -5.400 4.130 364 H GLU 45 H GLU 45 -13.921 -7.091 2.306 365 HA GLU 45 HA GLU 45 -13.709 -9.631 3.464 366 1HB GLU 45 2HB GLU 45 -15.504 -8.666 1.955 367 2HB GLU 45 1HB GLU 45 -14.462 -9.053 0.585 368 1HG GLU 45 2HG GLU 45 -14.425 -11.437 1.348 369 2HG GLU 45 1HG GLU 45 -15.589 -11.013 2.604 370 H MET 46 H MET 46 -11.936 -8.371 0.653 371 HA MET 46 HA MET 46 -10.601 -10.957 0.157 372 1HB MET 46 2HB MET 46 -10.539 -8.174 -1.028 373 2HB MET 46 1HB MET 46 -9.425 -9.432 -1.564 374 1HG MET 46 2HG MET 46 -11.481 -10.903 -1.935 375 2HG MET 46 1HG MET 46 -12.443 -9.440 -1.723 376 1HE MET 46 1HE MET 46 -11.945 -7.300 -4.674 377 2HE MET 46 2HE MET 46 -11.257 -7.066 -3.068 378 3HE MET 46 3HE MET 46 -12.866 -7.763 -3.237 379 H TRP 47 H TRP 47 -9.807 -7.733 1.430 380 HA TRP 47 HA TRP 47 -7.009 -7.975 1.727 381 1HB TRP 47 2HB TRP 47 -8.404 -5.940 2.077 382 2HB TRP 47 1HB TRP 47 -9.008 -6.638 3.580 383 HD1 TRP 47 HD TRP 47 -7.741 -5.892 5.642 384 HE1 TRP 47 1HE TRP 47 -5.354 -5.064 6.153 385 HE3 TRP 47 3HE TRP 47 -5.668 -6.243 0.987 386 HZ2 TRP 47 2HZ TRP 47 -2.890 -4.611 4.771 387 HZ3 TRP 47 3HZ TRP 47 -3.302 -5.608 0.614 388 HH2 TRP 47 HH TRP 47 -1.912 -4.793 2.497 389 H SER 48 H SER 48 -9.598 -9.345 3.744 390 HA SER 48 HA SER 48 -7.707 -10.193 5.841 391 1HB SER 48 2HB SER 48 -9.994 -9.413 6.339 392 2HB SER 48 1HB SER 48 -10.660 -10.701 5.341 393 HG SER 48 HG SER 48 -9.564 -10.777 7.882 394 H GLU 49 H GLU 49 -9.462 -11.589 3.102 395 HA GLU 49 HA GLU 49 -9.042 -14.364 3.694 396 1HB GLU 49 2HB GLU 49 -9.510 -12.717 1.206 397 2HB GLU 49 1HB GLU 49 -9.298 -14.465 1.106 398 1HG GLU 49 2HG GLU 49 -11.295 -13.201 2.988 399 2HG GLU 49 1HG GLU 49 -11.710 -13.622 1.326 400 H GLN 50 H GLN 50 -7.065 -11.949 2.004 401 HA GLN 50 HA GLN 50 -5.058 -13.660 0.927 402 1HB GLN 50 2HB GLN 50 -5.008 -10.813 1.974 403 2HB GLN 50 1HB GLN 50 -3.689 -11.533 1.049 404 1HG GLN 50 2HG GLN 50 -6.462 -11.710 -0.065 405 2HG GLN 50 1HG GLN 50 -5.617 -10.165 -0.167 406 1HE2 GLN 50 1HE2 GLN 50 -4.893 -10.086 -2.320 407 2HE2 GLN 50 2HE2 GLN 50 -3.986 -11.309 -3.070 408 H SER 51 H SER 51 -3.030 -14.320 1.774 409 HA SER 51 HA SER 51 -2.942 -14.610 4.727 410 1HB SER 51 2HB SER 51 -1.274 -16.309 4.191 411 2HB SER 51 1HB SER 51 -2.638 -16.506 3.094 412 HG SER 51 HG SER 51 -0.064 -15.492 2.621 413 H ALA 52 H ALA 52 -0.003 -14.851 4.745 414 HA ALA 52 HA ALA 52 0.662 -12.003 5.055 415 1HB ALA 52 1HB ALA 52 2.135 -14.619 5.494 416 2HB ALA 52 2HB ALA 52 1.364 -13.616 6.723 417 3HB ALA 52 3HB ALA 52 2.812 -13.041 5.896 418 H LYS 53 H LYS 53 0.181 -12.244 2.403 419 HA LYS 53 HA LYS 53 2.913 -12.208 1.177 420 1HB LYS 53 2HB LYS 53 0.376 -13.585 0.266 421 2HB LYS 53 1HB LYS 53 1.720 -13.271 -0.833 422 1HG LYS 53 2HG LYS 53 3.227 -14.587 0.531 423 2HG LYS 53 1HG LYS 53 1.999 -14.773 1.784 424 1HD LYS 53 2HD LYS 53 1.854 -16.799 0.601 425 2HD LYS 53 1HD LYS 53 0.559 -15.834 -0.109 426 1HE LYS 53 2HE LYS 53 1.983 -15.228 -2.001 427 2HE LYS 53 1HE LYS 53 3.358 -16.079 -1.270 428 1HZ LYS 53 1HZ LYS 53 0.748 -17.304 -1.997 429 2HZ LYS 53 2HZ LYS 53 2.052 -18.116 -1.270 430 3HZ LYS 53 3HZ LYS 53 2.201 -17.507 -2.850 431 H ASP 54 H ASP 54 -0.524 -11.301 0.804 432 HA ASP 54 HA ASP 54 -0.183 -9.409 -1.315 433 1HB ASP 54 2HB ASP 54 -2.292 -10.504 -0.286 434 2HB ASP 54 1HB ASP 54 -2.214 -9.214 0.914 435 H LYS 55 H LYS 55 0.152 -9.092 2.210 436 HA LYS 55 HA LYS 55 0.631 -6.174 1.943 437 1HB LYS 55 2HB LYS 55 -0.855 -7.298 3.687 438 2HB LYS 55 1HB LYS 55 0.625 -7.906 4.425 439 1HG LYS 55 2HG LYS 55 0.907 -5.081 3.891 440 2HG LYS 55 1HG LYS 55 -0.581 -5.360 4.791 441 1HD LYS 55 2HD LYS 55 0.821 -6.828 6.359 442 2HD LYS 55 1HD LYS 55 2.236 -6.122 5.577 443 1HE LYS 55 2HE LYS 55 1.867 -4.695 7.437 444 2HE LYS 55 1HE LYS 55 1.077 -3.828 6.103 445 1HZ LYS 55 1HZ LYS 55 -0.282 -5.767 7.901 446 2HZ LYS 55 2HZ LYS 55 -1.011 -4.846 6.673 447 3HZ LYS 55 3HZ LYS 55 -0.385 -4.082 8.055 448 H GLN 56 H GLN 56 2.601 -8.445 1.095 449 HA GLN 56 HA GLN 56 4.843 -7.923 2.964 450 1HB GLN 56 2HB GLN 56 4.085 -9.908 0.931 451 2HB GLN 56 1HB GLN 56 5.794 -9.479 0.884 452 1HG GLN 56 2HG GLN 56 4.404 -10.164 3.477 453 2HG GLN 56 1HG GLN 56 5.120 -11.409 2.452 454 1HE2 GLN 56 1HE2 GLN 56 7.517 -10.944 1.826 455 2HE2 GLN 56 2HE2 GLN 56 8.497 -10.248 3.024 456 HA PRO 57 HA PRO 57 6.665 -5.914 -0.904 457 1HB PRO 57 2HB PRO 57 5.360 -5.949 -3.284 458 2HB PRO 57 1HB PRO 57 6.397 -7.286 -2.746 459 1HG PRO 57 2HG PRO 57 3.458 -7.083 -2.808 460 2HG PRO 57 1HG PRO 57 4.492 -8.501 -3.011 461 1HD PRO 57 2HD PRO 57 3.080 -7.807 -0.707 462 2HD PRO 57 1HD PRO 57 4.404 -8.984 -0.813 463 H TYR 58 H TYR 58 3.171 -5.638 -0.639 464 HA TYR 58 HA TYR 58 3.042 -2.900 -1.676 465 1HB TYR 58 2HB TYR 58 1.276 -5.085 -0.845 466 2HB TYR 58 1HB TYR 58 0.669 -3.513 -0.335 467 HD1 TYR 58 1HD TYR 58 2.010 -5.343 -3.305 468 HD2 TYR 58 2HD TYR 58 -0.392 -2.082 -1.879 469 HE1 TYR 58 1HE TYR 58 1.254 -4.888 -5.623 470 HE2 TYR 58 2HE TYR 58 -1.150 -1.626 -4.195 471 HH TYR 58 HH TYR 58 0.133 -2.278 -6.710 472 H GLU 59 H GLU 59 3.604 -4.316 1.461 473 HA GLU 59 HA GLU 59 2.597 -2.055 3.008 474 1HB GLU 59 2HB GLU 59 3.538 -3.289 4.879 475 2HB GLU 59 1HB GLU 59 2.777 -4.426 3.780 476 1HG GLU 59 2HG GLU 59 4.804 -5.505 4.119 477 2HG GLU 59 1HG GLU 59 5.221 -4.511 2.724 478 H GLN 60 H GLN 60 5.657 -2.852 1.484 479 HA GLN 60 HA GLN 60 7.221 -0.896 2.997 480 1HB GLN 60 2HB GLN 60 8.962 -1.518 1.332 481 2HB GLN 60 1HB GLN 60 8.209 -2.934 2.061 482 1HG GLN 60 2HG GLN 60 6.986 -3.438 0.130 483 2HG GLN 60 1HG GLN 60 7.123 -1.801 -0.508 484 1HE2 GLN 60 1HE2 GLN 60 9.072 -4.741 0.168 485 2HE2 GLN 60 2HE2 GLN 60 10.250 -4.418 -1.011 486 H LYS 61 H LYS 61 5.205 -0.826 0.154 487 HA LYS 61 HA LYS 61 6.363 1.447 -1.184 488 1HB LYS 61 2HB LYS 61 4.764 -0.150 -2.194 489 2HB LYS 61 1HB LYS 61 3.515 0.383 -1.069 490 1HG LYS 61 2HG LYS 61 3.436 2.565 -2.042 491 2HG LYS 61 1HG LYS 61 4.913 2.282 -2.965 492 1HD LYS 61 2HD LYS 61 3.691 0.410 -4.158 493 2HD LYS 61 1HD LYS 61 2.213 0.972 -3.373 494 1HE LYS 61 2HE LYS 61 2.186 2.989 -4.569 495 2HE LYS 61 1HE LYS 61 3.928 2.922 -4.907 496 1HZ LYS 61 1HZ LYS 61 1.892 1.029 -5.961 497 2HZ LYS 61 2HZ LYS 61 3.562 0.967 -6.273 498 3HZ LYS 61 3HZ LYS 61 2.633 2.266 -6.854 499 H ALA 62 H ALA 62 3.756 1.150 1.239 500 HA ALA 62 HA ALA 62 3.366 4.050 1.410 501 1HB ALA 62 1HB ALA 62 1.946 3.229 3.405 502 2HB ALA 62 2HB ALA 62 2.382 1.601 2.884 503 3HB ALA 62 3HB ALA 62 1.476 2.661 1.804 504 H ALA 63 H ALA 63 5.552 1.758 2.806 505 HA ALA 63 HA ALA 63 6.012 2.884 5.387 506 1HB ALA 63 1HB ALA 63 8.180 1.693 5.168 507 2HB ALA 63 2HB ALA 63 7.897 1.513 3.437 508 3HB ALA 63 3HB ALA 63 6.844 0.696 4.592 509 H LYS 64 H LYS 64 7.185 3.794 2.158 510 HA LYS 64 HA LYS 64 9.143 5.725 3.155 511 1HB LYS 64 2HB LYS 64 7.837 5.231 0.458 512 2HB LYS 64 1HB LYS 64 9.197 6.324 0.717 513 1HG LYS 64 2HG LYS 64 9.305 3.429 1.569 514 2HG LYS 64 1HG LYS 64 9.764 3.936 -0.057 515 1HD LYS 64 2HD LYS 64 11.399 5.532 0.931 516 2HD LYS 64 1HD LYS 64 10.979 4.934 2.537 517 1HE LYS 64 2HE LYS 64 11.782 2.705 1.984 518 2HE LYS 64 1HE LYS 64 12.059 3.186 0.298 519 1HZ LYS 64 1HZ LYS 64 13.333 4.435 2.677 520 2HZ LYS 64 2HZ LYS 64 13.594 4.882 1.058 521 3HZ LYS 64 3HZ LYS 64 14.096 3.357 1.613 522 H LEU 65 H LEU 65 6.176 6.193 1.197 523 HA LEU 65 HA LEU 65 5.845 8.952 1.503 524 1HB LEU 65 2HB LEU 65 4.031 6.597 1.126 525 2HB LEU 65 1HB LEU 65 3.304 8.185 1.375 526 HG LEU 65 HG LEU 65 5.032 8.949 -0.453 527 1HD1 LEU 65 1HD1 LEU 65 5.274 7.028 -2.140 528 2HD1 LEU 65 2HD1 LEU 65 4.875 5.951 -0.801 529 3HD1 LEU 65 3HD1 LEU 65 6.316 6.964 -0.720 530 1HD2 LEU 65 1HD2 LEU 65 2.709 7.219 -1.333 531 2HD2 LEU 65 2HD2 LEU 65 3.337 8.668 -2.118 532 3HD2 LEU 65 3HD2 LEU 65 2.480 8.799 -0.583 533 H LYS 66 H LYS 66 5.234 6.445 3.888 534 HA LYS 66 HA LYS 66 3.524 7.958 5.657 535 1HB LYS 66 2HB LYS 66 3.840 5.494 5.681 536 2HB LYS 66 1HB LYS 66 5.505 5.721 6.212 537 1HG LYS 66 2HG LYS 66 4.315 5.323 8.217 538 2HG LYS 66 1HG LYS 66 4.488 7.078 8.165 539 1HD LYS 66 2HD LYS 66 2.207 6.761 8.683 540 2HD LYS 66 1HD LYS 66 2.203 7.062 6.945 541 1HE LYS 66 2HE LYS 66 2.087 4.655 6.489 542 2HE LYS 66 1HE LYS 66 2.181 4.304 8.227 543 1HZ LYS 66 1HZ LYS 66 0.085 5.936 6.891 544 2HZ LYS 66 2HZ LYS 66 0.195 5.656 8.563 545 3HZ LYS 66 3HZ LYS 66 -0.123 4.368 7.502 546 H GLU 67 H GLU 67 7.047 7.324 5.681 547 HA GLU 67 HA GLU 67 7.689 8.986 7.922 548 1HB GLU 67 2HB GLU 67 9.139 7.894 5.515 549 2HB GLU 67 1HB GLU 67 9.972 8.987 6.619 550 1HG GLU 67 2HG GLU 67 9.185 7.442 8.505 551 2HG GLU 67 1HG GLU 67 8.758 6.290 7.239 552 H LYS 68 H LYS 68 7.805 9.653 4.405 553 HA LYS 68 HA LYS 68 8.600 12.389 4.563 554 1HB LYS 68 2HB LYS 68 7.091 10.674 2.593 555 2HB LYS 68 1HB LYS 68 7.341 12.391 2.271 556 1HG LYS 68 2HG LYS 68 9.705 12.160 2.272 557 2HG LYS 68 1HG LYS 68 9.628 10.567 3.024 558 1HD LYS 68 2HD LYS 68 8.832 9.542 1.046 559 2HD LYS 68 1HD LYS 68 8.381 11.088 0.326 560 1HE LYS 68 2HE LYS 68 10.422 10.446 -0.763 561 2HE LYS 68 1HE LYS 68 10.898 11.671 0.429 562 1HZ LYS 68 1HZ LYS 68 12.290 9.692 0.614 563 2HZ LYS 68 2HZ LYS 68 10.912 8.731 0.872 564 3HZ LYS 68 3HZ LYS 68 11.357 9.908 2.015 565 H TYR 69 H TYR 69 5.478 10.840 5.028 566 HA TYR 69 HA TYR 69 3.869 13.261 4.807 567 1HB TYR 69 2HB TYR 69 3.016 10.957 4.456 568 2HB TYR 69 1HB TYR 69 3.385 10.563 6.131 569 HD1 TYR 69 1HD TYR 69 2.223 11.951 7.979 570 HD2 TYR 69 2HD TYR 69 0.952 11.942 3.876 571 HE1 TYR 69 1HE TYR 69 0.010 12.822 8.665 572 HE2 TYR 69 2HE TYR 69 -1.266 12.814 4.567 573 HH TYR 69 HH TYR 69 -2.630 12.633 7.012 574 H GLU 70 H GLU 70 4.526 11.184 7.625 575 HA GLU 70 HA GLU 70 3.788 13.047 9.634 576 1HB GLU 70 2HB GLU 70 5.680 10.692 9.534 577 2HB GLU 70 1HB GLU 70 5.339 11.545 11.040 578 1HG GLU 70 2HG GLU 70 2.910 11.135 10.691 579 2HG GLU 70 1HG GLU 70 3.296 10.210 9.240 580 H LYS 71 H LYS 71 6.777 12.801 7.802 581 HA LYS 71 HA LYS 71 8.233 14.600 9.650 582 1HB LYS 71 2HB LYS 71 8.943 13.237 7.038 583 2HB LYS 71 1HB LYS 71 10.079 14.158 8.023 584 1HG LYS 71 2HG LYS 71 8.486 11.864 9.172 585 2HG LYS 71 1HG LYS 71 10.042 11.610 8.380 586 1HD LYS 71 2HD LYS 71 9.803 13.714 10.510 587 2HD LYS 71 1HD LYS 71 9.958 12.020 10.980 588 1HE LYS 71 2HE LYS 71 11.966 11.991 9.294 589 2HE LYS 71 1HE LYS 71 11.931 13.753 9.502 590 1HZ LYS 71 1HZ LYS 71 11.985 13.451 11.892 591 2HZ LYS 71 2HZ LYS 71 13.328 12.687 11.185 592 3HZ LYS 71 3HZ LYS 71 12.001 11.765 11.711 593 H ASP 72 H ASP 72 6.263 14.939 6.817 594 HA ASP 72 HA ASP 72 7.478 17.623 6.252 595 1HB ASP 72 2HB ASP 72 7.360 15.775 4.490 596 2HB ASP 72 1HB ASP 72 5.610 16.000 4.511 597 H ILE 73 H ILE 73 4.477 15.935 7.045 598 HA ILE 73 HA ILE 73 2.682 18.138 6.578 599 HB ILE 73 HB ILE 73 2.094 15.713 6.797 600 1HG1 ILE 73 2HG1 ILE 73 0.174 16.246 8.578 601 2HG1 ILE 73 1HG1 ILE 73 0.770 17.891 8.352 602 1HG2 ILE 73 1HG2 ILE 73 2.125 14.582 8.861 603 2HG2 ILE 73 2HG2 ILE 73 2.272 16.077 9.784 604 3HG2 ILE 73 3HG2 ILE 73 3.649 15.468 8.866 605 1HD1 ILE 73 1HD1 ILE 73 -0.079 16.026 6.116 606 2HD1 ILE 73 2HD1 ILE 73 0.463 17.693 5.925 607 3HD1 ILE 73 3HD1 ILE 73 -1.053 17.350 6.756 608 H ALA 74 H ALA 74 4.595 17.132 9.387 609 HA ALA 74 HA ALA 74 3.480 18.845 11.370 610 1HB ALA 74 1HB ALA 74 5.037 17.058 11.888 611 2HB ALA 74 2HB ALA 74 5.780 18.576 12.392 612 3HB ALA 74 3HB ALA 74 6.290 17.801 10.892 613 H ALA 75 H ALA 75 6.263 19.412 9.190 614 HA ALA 75 HA ALA 75 6.591 22.192 10.006 615 1HB ALA 75 1HB ALA 75 7.605 20.607 7.622 616 2HB ALA 75 2HB ALA 75 8.420 20.753 9.179 617 3HB ALA 75 3HB ALA 75 8.233 22.170 8.146 618 H TYR 76 H TYR 76 4.541 20.540 7.741 619 HA TYR 76 HA TYR 76 4.142 22.779 5.909 620 1HB TYR 76 2HB TYR 76 3.873 20.350 5.364 621 2HB TYR 76 1HB TYR 76 2.482 20.292 6.448 622 HD1 TYR 76 1HD TYR 76 0.374 21.353 5.856 623 HD2 TYR 76 2HD TYR 76 3.787 21.625 3.262 624 HE1 TYR 76 1HE TYR 76 -1.080 22.194 4.032 625 HE2 TYR 76 2HE TYR 76 2.333 22.466 1.438 626 HH TYR 76 HH TYR 76 -0.282 23.811 1.644 627 H ARG 77 H ARG 77 2.524 21.495 8.787 628 HA ARG 77 HA ARG 77 0.270 23.375 8.587 629 1HB ARG 77 2HB ARG 77 1.223 21.342 10.620 630 2HB ARG 77 1HB ARG 77 -0.255 22.283 10.822 631 1HG ARG 77 2HG ARG 77 -1.274 21.302 8.921 632 2HG ARG 77 1HG ARG 77 0.261 20.678 8.318 633 1HD ARG 77 2HD ARG 77 0.353 18.977 9.975 634 2HD ARG 77 1HD ARG 77 -0.886 19.769 10.969 635 HE ARG 77 HE ARG 77 -1.645 18.920 8.223 636 1HH1 ARG 77 1HH1 ARG 77 -1.251 16.776 10.468 637 2HH1 ARG 77 2HH1 ARG 77 -2.899 16.560 10.957 638 1HH2 ARG 77 1HH2 ARG 77 -4.027 19.422 9.356 639 2HH2 ARG 77 2HH2 ARG 77 -4.470 18.058 10.327 640 H ALA 78 H ALA 78 3.419 23.955 9.360 641 HA ALA 78 HA ALA 78 4.529 25.548 10.700 642 1HB ALA 78 1HB ALA 78 1.835 26.902 10.831 643 2HB ALA 78 2HB ALA 78 2.708 26.772 9.304 644 3HB ALA 78 3HB ALA 78 3.429 27.639 10.661 645 H LYS 79 H LYS 79 4.789 24.149 12.578 646 HA LYS 79 HA LYS 79 2.916 24.811 14.831 647 1HB LYS 79 2HB LYS 79 3.113 22.407 13.631 648 2HB LYS 79 1HB LYS 79 4.438 22.247 14.784 649 1HG LYS 79 2HG LYS 79 2.781 21.572 16.201 650 2HG LYS 79 1HG LYS 79 2.519 23.304 16.398 651 1HD LYS 79 2HD LYS 79 1.171 21.891 14.124 652 2HD LYS 79 1HD LYS 79 0.505 21.717 15.748 653 1HE LYS 79 2HE LYS 79 0.837 24.382 15.755 654 2HE LYS 79 1HE LYS 79 0.628 24.140 14.008 655 1HZ LYS 79 1HZ LYS 79 -1.533 24.339 14.947 656 2HZ LYS 79 2HZ LYS 79 -1.178 23.227 16.181 657 3HZ LYS 79 3HZ LYS 79 -1.311 22.701 14.570 Start of MODEL 29 1 1H MET 1 1HT MET 1 -11.366 19.286 -2.555 2 2H MET 1 2HT MET 1 -10.252 18.011 -2.702 3 3H MET 1 3HT MET 1 -10.278 18.962 -1.293 4 HA MET 1 HA MET 1 -12.491 18.128 -0.741 5 1HB MET 1 2HB MET 1 -12.715 17.816 -3.380 6 2HB MET 1 1HB MET 1 -12.204 16.173 -2.991 7 1HG MET 1 2HG MET 1 -14.084 15.777 -1.632 8 2HG MET 1 1HG MET 1 -14.422 17.497 -1.440 9 1HE MET 1 1HE MET 1 -17.579 16.545 -3.287 10 2HE MET 1 2HE MET 1 -16.879 17.786 -2.251 11 3HE MET 1 3HE MET 1 -16.729 16.087 -1.805 12 H LYS 2 H LYS 2 -10.233 15.882 -2.397 13 HA LYS 2 HA LYS 2 -9.864 14.465 0.225 14 1HB LYS 2 2HB LYS 2 -10.354 13.618 -2.582 15 2HB LYS 2 1HB LYS 2 -9.215 12.634 -1.663 16 1HG LYS 2 2HG LYS 2 -11.219 11.602 -1.099 17 2HG LYS 2 1HG LYS 2 -11.083 12.784 0.205 18 1HD LYS 2 2HD LYS 2 -13.239 13.235 -0.497 19 2HD LYS 2 1HD LYS 2 -12.352 14.335 -1.553 20 1HE LYS 2 2HE LYS 2 -12.297 11.966 -2.985 21 2HE LYS 2 1HE LYS 2 -13.905 11.943 -2.235 22 1HZ LYS 2 1HZ LYS 2 -12.753 14.306 -3.614 23 2HZ LYS 2 2HZ LYS 2 -14.338 14.136 -3.025 24 3HZ LYS 2 3HZ LYS 2 -13.818 13.213 -4.353 25 H LYS 3 H LYS 3 -8.261 16.727 -0.664 26 HA LYS 3 HA LYS 3 -5.614 15.598 -0.370 27 1HB LYS 3 2HB LYS 3 -6.388 15.238 -2.824 28 2HB LYS 3 1HB LYS 3 -6.158 16.979 -2.997 29 1HG LYS 3 2HG LYS 3 -3.840 16.834 -2.506 30 2HG LYS 3 1HG LYS 3 -3.998 15.198 -1.864 31 1HD LYS 3 2HD LYS 3 -4.541 14.346 -4.095 32 2HD LYS 3 1HD LYS 3 -4.464 15.979 -4.758 33 1HE LYS 3 2HE LYS 3 -2.094 16.140 -4.275 34 2HE LYS 3 1HE LYS 3 -2.127 14.604 -3.387 35 1HZ LYS 3 1HZ LYS 3 -1.398 14.277 -5.681 36 2HZ LYS 3 2HZ LYS 3 -2.848 14.954 -6.250 37 3HZ LYS 3 3HZ LYS 3 -2.872 13.488 -5.391 38 H LYS 4 H LYS 4 -4.623 17.130 0.872 39 HA LYS 4 HA LYS 4 -5.624 19.758 1.294 40 1HB LYS 4 2HB LYS 4 -3.041 18.307 1.843 41 2HB LYS 4 1HB LYS 4 -3.211 20.010 2.271 42 1HG LYS 4 2HG LYS 4 -5.417 19.287 3.423 43 2HG LYS 4 1HG LYS 4 -4.770 17.649 3.311 44 1HD LYS 4 2HD LYS 4 -3.210 19.943 4.520 45 2HD LYS 4 1HD LYS 4 -4.248 18.885 5.478 46 1HE LYS 4 2HE LYS 4 -2.178 17.673 3.653 47 2HE LYS 4 1HE LYS 4 -1.709 18.267 5.258 48 1HZ LYS 4 1HZ LYS 4 -2.447 15.955 5.358 49 2HZ LYS 4 2HZ LYS 4 -3.950 16.394 4.699 50 3HZ LYS 4 3HZ LYS 4 -3.492 16.966 6.232 51 H ASP 5 H ASP 5 -2.278 19.395 0.140 52 HA ASP 5 HA ASP 5 -2.904 21.212 -2.156 53 1HB ASP 5 2HB ASP 5 -1.132 21.604 0.219 54 2HB ASP 5 1HB ASP 5 -0.603 22.276 -1.325 55 HA PRO 6 HA PRO 6 -0.053 18.727 -4.430 56 1HB PRO 6 2HB PRO 6 1.169 20.560 -6.033 57 2HB PRO 6 1HB PRO 6 -0.499 20.013 -6.285 58 1HG PRO 6 2HG PRO 6 0.515 22.520 -5.055 59 2HG PRO 6 1HG PRO 6 -0.894 22.262 -6.094 60 1HD PRO 6 2HD PRO 6 -1.046 22.564 -3.388 61 2HD PRO 6 1HD PRO 6 -2.234 21.655 -4.348 62 H ASN 7 H ASN 7 1.102 21.166 -2.337 63 HA ASN 7 HA ASN 7 3.949 20.327 -2.700 64 1HB ASN 7 2HB ASN 7 2.503 22.788 -1.782 65 2HB ASN 7 1HB ASN 7 4.111 22.474 -1.127 66 1HD2 ASN 7 1HD2 ASN 7 2.452 22.464 -4.340 67 2HD2 ASN 7 2HD2 ASN 7 3.769 23.127 -5.181 68 H ALA 8 H ALA 8 1.228 20.402 -0.498 69 HA ALA 8 HA ALA 8 2.884 19.513 1.804 70 1HB ALA 8 1HB ALA 8 -0.026 20.261 1.399 71 2HB ALA 8 2HB ALA 8 1.216 21.207 2.219 72 3HB ALA 8 3HB ALA 8 0.620 19.715 2.946 73 HA PRO 9 HA PRO 9 1.823 15.294 0.883 74 1HB PRO 9 2HB PRO 9 2.514 14.137 3.263 75 2HB PRO 9 1HB PRO 9 3.708 14.665 2.062 76 1HG PRO 9 2HG PRO 9 2.865 15.967 4.591 77 2HG PRO 9 1HG PRO 9 4.457 15.915 3.820 78 1HD PRO 9 2HD PRO 9 2.748 18.073 3.732 79 2HD PRO 9 1HD PRO 9 4.038 17.756 2.552 80 H LYS 10 H LYS 10 -0.243 14.500 0.884 81 HA LYS 10 HA LYS 10 -2.249 15.357 2.773 82 1HB LYS 10 2HB LYS 10 -3.669 13.819 1.451 83 2HB LYS 10 1HB LYS 10 -2.662 14.804 0.394 84 1HG LYS 10 2HG LYS 10 -1.014 12.668 0.806 85 2HG LYS 10 1HG LYS 10 -2.591 11.884 0.881 86 1HD LYS 10 2HD LYS 10 -3.168 13.078 -1.284 87 2HD LYS 10 1HD LYS 10 -1.473 13.554 -1.383 88 1HE LYS 10 2HE LYS 10 -1.088 10.937 -0.971 89 2HE LYS 10 1HE LYS 10 -2.697 10.846 -1.715 90 1HZ LYS 10 1HZ LYS 10 -1.907 12.273 -3.506 91 2HZ LYS 10 2HZ LYS 10 -0.974 10.855 -3.412 92 3HZ LYS 10 3HZ LYS 10 -0.361 12.321 -2.811 93 H ARG 11 H ARG 11 -3.607 12.796 3.125 94 HA ARG 11 HA ARG 11 -2.546 11.935 5.620 95 1HB ARG 11 2HB ARG 11 -4.724 11.336 3.831 96 2HB ARG 11 1HB ARG 11 -4.019 9.816 4.377 97 1HG ARG 11 2HG ARG 11 -5.715 10.431 5.975 98 2HG ARG 11 1HG ARG 11 -4.150 10.711 6.741 99 1HD ARG 11 2HD ARG 11 -4.449 13.143 5.697 100 2HD ARG 11 1HD ARG 11 -6.167 12.706 5.778 101 HE ARG 11 HE ARG 11 -4.593 12.131 8.205 102 1HH1 ARG 11 1HH1 ARG 11 -7.571 13.055 7.193 103 2HH1 ARG 11 2HH1 ARG 11 -7.766 14.387 8.283 104 1HH2 ARG 11 1HH2 ARG 11 -4.457 14.363 9.321 105 2HH2 ARG 11 2HH2 ARG 11 -6.002 15.127 9.489 106 HA PRO 12 HA PRO 12 0.778 9.375 4.182 107 1HB PRO 12 2HB PRO 12 1.234 7.904 6.443 108 2HB PRO 12 1HB PRO 12 1.736 9.597 6.271 109 1HG PRO 12 2HG PRO 12 -0.597 8.451 7.708 110 2HG PRO 12 1HG PRO 12 0.432 9.826 8.133 111 1HD PRO 12 2HD PRO 12 -2.069 10.058 7.031 112 2HD PRO 12 1HD PRO 12 -0.798 11.292 6.896 113 HA PRO 13 HA PRO 13 -1.586 5.707 3.173 114 1HB PRO 13 2HB PRO 13 0.176 4.596 1.406 115 2HB PRO 13 1HB PRO 13 -0.858 5.977 0.995 116 1HG PRO 13 2HG PRO 13 2.029 5.899 1.593 117 2HG PRO 13 1HG PRO 13 1.114 7.013 0.571 118 1HD PRO 13 2HD PRO 13 2.042 7.517 3.168 119 2HD PRO 13 1HD PRO 13 0.865 8.490 2.263 120 H SER 14 H SER 14 -1.055 3.226 3.138 121 HA SER 14 HA SER 14 1.311 2.298 4.553 122 1HB SER 14 2HB SER 14 0.084 3.478 6.353 123 2HB SER 14 1HB SER 14 -1.331 2.476 6.042 124 HG SER 14 HG SER 14 0.854 1.940 7.515 125 H ALA 15 H ALA 15 0.568 1.169 2.271 126 HA ALA 15 HA ALA 15 0.084 -0.886 1.300 127 1HB ALA 15 1HB ALA 15 0.534 -1.432 4.039 128 2HB ALA 15 2HB ALA 15 0.561 -2.588 2.709 129 3HB ALA 15 3HB ALA 15 -0.930 -2.317 3.611 130 H PHE 16 H PHE 16 -2.363 -0.978 3.931 131 HA PHE 16 HA PHE 16 -4.561 -1.770 2.429 132 1HB PHE 16 2HB PHE 16 -4.238 -1.314 4.943 133 2HB PHE 16 1HB PHE 16 -4.693 0.349 4.578 134 HD1 PHE 16 1HD PHE 16 -6.912 0.801 5.108 135 HD2 PHE 16 2HD PHE 16 -5.896 -3.027 3.445 136 HE1 PHE 16 1HE PHE 16 -9.307 0.158 5.121 137 HE2 PHE 16 2HE PHE 16 -8.290 -3.669 3.458 138 HZ PHE 16 HZ PHE 16 -9.997 -2.076 4.297 139 H PHE 17 H PHE 17 -3.634 1.630 3.065 140 HA PHE 17 HA PHE 17 -5.686 2.885 1.545 141 1HB PHE 17 2HB PHE 17 -3.674 3.685 3.150 142 2HB PHE 17 1HB PHE 17 -2.939 4.050 1.589 143 HD1 PHE 17 1HD PHE 17 -6.007 4.607 3.639 144 HD2 PHE 17 2HD PHE 17 -3.602 5.949 0.344 145 HE1 PHE 17 1HE PHE 17 -7.391 6.657 3.464 146 HE2 PHE 17 2HE PHE 17 -4.986 7.999 0.168 147 HZ PHE 17 HZ PHE 17 -6.880 8.353 1.729 148 H LEU 18 H LEU 18 -2.530 1.576 0.552 149 HA LEU 18 HA LEU 18 -2.639 2.604 -2.161 150 1HB LEU 18 2HB LEU 18 -1.087 0.230 -1.077 151 2HB LEU 18 1HB LEU 18 -0.666 1.229 -2.462 152 HG LEU 18 HG LEU 18 -0.655 2.063 0.458 153 1HD1 LEU 18 1HD1 LEU 18 1.787 2.613 -0.351 154 2HD1 LEU 18 2HD1 LEU 18 1.419 1.442 -1.617 155 3HD1 LEU 18 3HD1 LEU 18 1.355 0.956 0.077 156 1HD2 LEU 18 1HD2 LEU 18 0.350 4.213 -0.583 157 2HD2 LEU 18 2HD2 LEU 18 -1.398 4.009 -0.695 158 3HD2 LEU 18 3HD2 LEU 18 -0.380 3.668 -2.094 159 H PHE 19 H PHE 19 -3.594 -0.426 -0.584 160 HA PHE 19 HA PHE 19 -4.142 -1.876 -3.043 161 1HB PHE 19 2HB PHE 19 -3.586 -2.876 -0.828 162 2HB PHE 19 1HB PHE 19 -5.122 -2.282 -0.198 163 HD1 PHE 19 1HD PHE 19 -7.263 -3.208 -1.004 164 HD2 PHE 19 2HD PHE 19 -3.491 -4.759 -2.352 165 HE1 PHE 19 1HE PHE 19 -8.407 -5.225 -1.884 166 HE2 PHE 19 2HE PHE 19 -4.635 -6.775 -3.234 167 HZ PHE 19 HZ PHE 19 -7.092 -7.008 -3.000 168 H CYS 20 H CYS 20 -6.306 -0.460 -0.555 169 HA CYS 20 HA CYS 20 -8.763 -0.915 -1.920 170 1HB CYS 20 2HB CYS 20 -8.056 -0.031 0.498 171 2HB CYS 20 1HB CYS 20 -8.345 1.537 -0.254 172 HG CYS 20 HG CYS 20 -10.499 -0.471 0.518 173 H SER 21 H SER 21 -6.702 2.016 -1.878 174 HA SER 21 HA SER 21 -8.273 3.631 -3.611 175 1HB SER 21 2HB SER 21 -6.332 4.333 -2.204 176 2HB SER 21 1HB SER 21 -5.253 3.495 -3.316 177 HG SER 21 HG SER 21 -6.154 5.948 -3.507 178 H GLU 22 H GLU 22 -6.104 0.959 -4.335 179 HA GLU 22 HA GLU 22 -6.153 1.586 -7.241 180 1HB GLU 22 2HB GLU 22 -4.578 -0.121 -5.368 181 2HB GLU 22 1HB GLU 22 -4.603 -0.556 -7.074 182 1HG GLU 22 2HG GLU 22 -3.884 2.194 -6.018 183 2HG GLU 22 1HG GLU 22 -2.705 0.966 -6.483 184 H TYR 23 H TYR 23 -7.595 -0.603 -4.918 185 HA TYR 23 HA TYR 23 -8.460 -2.505 -7.021 186 1HB TYR 23 2HB TYR 23 -8.369 -2.351 -4.044 187 2HB TYR 23 1HB TYR 23 -9.604 -3.389 -4.756 188 HD1 TYR 23 1HD TYR 23 -5.962 -2.581 -5.206 189 HD2 TYR 23 2HD TYR 23 -9.026 -5.592 -5.240 190 HE1 TYR 23 1HE TYR 23 -4.251 -4.317 -5.661 191 HE2 TYR 23 2HE TYR 23 -7.314 -7.328 -5.695 192 HH TYR 23 HH TYR 23 -4.894 -7.269 -6.830 193 H ARG 24 H ARG 24 -9.868 -0.065 -4.843 194 HA ARG 24 HA ARG 24 -12.592 -0.505 -5.093 195 1HB ARG 24 2HB ARG 24 -10.950 2.026 -5.055 196 2HB ARG 24 1HB ARG 24 -12.712 2.038 -4.975 197 1HG ARG 24 2HG ARG 24 -12.751 0.859 -2.929 198 2HG ARG 24 1HG ARG 24 -11.074 0.343 -3.098 199 1HD ARG 24 2HD ARG 24 -10.261 2.302 -2.242 200 2HD ARG 24 1HD ARG 24 -11.474 3.281 -3.091 201 HE ARG 24 HE ARG 24 -12.532 1.590 -0.926 202 1HH1 ARG 24 1HH2 ARG 24 -13.208 4.417 -2.284 203 2HH1 ARG 24 2HH2 ARG 24 -13.132 5.402 -0.862 204 1HH2 ARG 24 1HH1 ARG 24 -11.618 2.956 1.073 205 2HH2 ARG 24 2HH1 ARG 24 -12.232 4.575 1.040 206 HA PRO 25 HA PRO 25 -12.818 2.044 -9.225 207 1HB PRO 25 2HB PRO 25 -10.498 2.124 -10.703 208 2HB PRO 25 1HB PRO 25 -10.993 3.409 -9.581 209 1HG PRO 25 2HG PRO 25 -9.098 1.140 -9.131 210 2HG PRO 25 1HG PRO 25 -8.915 2.855 -8.716 211 1HD PRO 25 2HD PRO 25 -9.606 1.093 -6.861 212 2HD PRO 25 1HD PRO 25 -10.357 2.702 -6.887 213 H LYS 26 H LYS 26 -10.746 -0.753 -8.786 214 HA LYS 26 HA LYS 26 -11.289 -2.032 -11.339 215 1HB LYS 26 2HB LYS 26 -9.460 -2.457 -9.523 216 2HB LYS 26 1HB LYS 26 -10.718 -3.394 -8.707 217 1HG LYS 26 2HG LYS 26 -10.148 -3.892 -11.616 218 2HG LYS 26 1HG LYS 26 -9.100 -4.606 -10.388 219 1HD LYS 26 2HD LYS 26 -11.204 -5.497 -9.273 220 2HD LYS 26 1HD LYS 26 -12.083 -4.998 -10.720 221 1HE LYS 26 2HE LYS 26 -11.546 -7.240 -11.214 222 2HE LYS 26 1HE LYS 26 -10.203 -6.367 -11.978 223 1HZ LYS 26 1HZ LYS 26 -9.387 -8.136 -10.527 224 2HZ LYS 26 2HZ LYS 26 -10.205 -7.446 -9.207 225 3HZ LYS 26 3HZ LYS 26 -8.924 -6.611 -9.947 226 H ILE 27 H ILE 27 -12.580 -2.322 -8.044 227 HA ILE 27 HA ILE 27 -14.578 -4.280 -8.425 228 HB ILE 27 HB ILE 27 -14.523 -1.785 -6.683 229 1HG1 ILE 27 2HG1 ILE 27 -12.571 -3.278 -6.362 230 2HG1 ILE 27 1HG1 ILE 27 -13.611 -3.258 -4.947 231 1HG2 ILE 27 1HG2 ILE 27 -15.947 -3.397 -5.176 232 2HG2 ILE 27 2HG2 ILE 27 -16.325 -4.186 -6.706 233 3HG2 ILE 27 3HG2 ILE 27 -16.729 -2.487 -6.467 234 1HD1 ILE 27 1HD1 ILE 27 -14.682 -5.352 -5.728 235 2HD1 ILE 27 2HD1 ILE 27 -12.952 -5.553 -5.456 236 3HD1 ILE 27 3HD1 ILE 27 -13.573 -5.388 -7.099 237 H LYS 28 H LYS 28 -14.499 -0.925 -9.464 238 HA LYS 28 HA LYS 28 -17.400 -0.703 -9.745 239 1HB LYS 28 2HB LYS 28 -15.373 1.135 -11.019 240 2HB LYS 28 1HB LYS 28 -16.954 1.533 -10.357 241 1HG LYS 28 2HG LYS 28 -14.364 1.030 -8.935 242 2HG LYS 28 1HG LYS 28 -15.431 2.405 -8.786 243 1HD LYS 28 2HD LYS 28 -15.955 -0.393 -7.700 244 2HD LYS 28 1HD LYS 28 -15.533 1.032 -6.760 245 1HE LYS 28 2HE LYS 28 -17.618 2.127 -7.360 246 2HE LYS 28 1HE LYS 28 -18.030 0.817 -8.482 247 1HZ LYS 28 1HZ LYS 28 -17.553 0.513 -5.567 248 2HZ LYS 28 2HZ LYS 28 -17.930 -0.743 -6.645 249 3HZ LYS 28 3HZ LYS 28 -19.071 0.474 -6.321 250 H SER 29 H SER 29 -14.710 -1.535 -11.894 251 HA SER 29 HA SER 29 -16.197 -1.202 -14.365 252 1HB SER 29 2HB SER 29 -13.678 -1.253 -13.995 253 2HB SER 29 1HB SER 29 -13.822 -2.997 -13.790 254 HG SER 29 HG SER 29 -13.471 -2.774 -15.914 255 H GLU 30 H GLU 30 -15.656 -3.885 -12.124 256 HA GLU 30 HA GLU 30 -17.186 -5.750 -13.857 257 1HB GLU 30 2HB GLU 30 -15.446 -5.921 -11.394 258 2HB GLU 30 1HB GLU 30 -16.403 -7.300 -11.926 259 1HG GLU 30 2HG GLU 30 -14.202 -7.512 -12.879 260 2HG GLU 30 1HG GLU 30 -15.306 -7.100 -14.186 261 H HIS 31 H HIS 31 -17.880 -3.547 -11.389 262 HA HIS 31 HA HIS 31 -20.420 -4.987 -10.788 263 1HB HIS 31 2HB HIS 31 -18.742 -3.605 -8.668 264 2HB HIS 31 1HB HIS 31 -20.165 -4.606 -8.422 265 HD1 HIS 31 1HD HIS 31 -16.526 -4.786 -8.590 266 HD2 HIS 31 2HD HIS 31 -19.678 -7.451 -9.169 267 HE1 HIS 31 1HE HIS 31 -15.532 -7.107 -8.461 268 HA PRO 32 HA PRO 32 -21.180 -0.638 -11.901 269 1HB PRO 32 2HB PRO 32 -23.624 -1.073 -13.064 270 2HB PRO 32 1HB PRO 32 -22.085 -1.266 -13.918 271 1HG PRO 32 2HG PRO 32 -23.906 -3.324 -12.836 272 2HG PRO 32 1HG PRO 32 -22.817 -3.390 -14.231 273 1HD PRO 32 2HD PRO 32 -22.330 -4.539 -11.756 274 2HD PRO 32 1HD PRO 32 -21.115 -4.206 -13.007 275 H GLY 33 H GLY 33 -23.712 -2.840 -10.646 276 1HA GLY 33 2HA GLY 33 -25.233 -0.804 -9.320 277 2HA GLY 33 1HA GLY 33 -25.282 -2.523 -8.933 278 H LEU 34 H LEU 34 -22.238 -2.353 -8.538 279 HA LEU 34 HA LEU 34 -22.011 -2.339 -5.765 280 1HB LEU 34 2HB LEU 34 -20.389 -2.600 -7.953 281 2HB LEU 34 1HB LEU 34 -19.768 -1.116 -7.267 282 HG LEU 34 HG LEU 34 -18.587 -3.176 -6.469 283 1HD1 LEU 34 1HD1 LEU 34 -19.283 -2.561 -3.898 284 2HD1 LEU 34 2HD1 LEU 34 -19.839 -1.131 -4.764 285 3HD1 LEU 34 3HD1 LEU 34 -18.153 -1.631 -4.879 286 1HD2 LEU 34 1HD2 LEU 34 -21.014 -3.782 -4.799 287 2HD2 LEU 34 2HD2 LEU 34 -19.636 -4.817 -5.173 288 3HD2 LEU 34 3HD2 LEU 34 -20.845 -4.479 -6.411 289 H SER 35 H SER 35 -23.240 -0.600 -4.809 290 HA SER 35 HA SER 35 -22.837 2.192 -5.417 291 1HB SER 35 2HB SER 35 -23.797 0.778 -2.904 292 2HB SER 35 1HB SER 35 -24.035 2.486 -3.257 293 HG SER 35 HG SER 35 -25.374 1.959 -4.909 294 H ILE 36 H ILE 36 -22.063 3.628 -3.370 295 HA ILE 36 HA ILE 36 -19.236 3.303 -3.117 296 HB ILE 36 HB ILE 36 -21.353 4.863 -1.607 297 1HG1 ILE 36 2HG1 ILE 36 -20.922 5.505 -3.949 298 2HG1 ILE 36 1HG1 ILE 36 -20.382 6.767 -2.845 299 1HG2 ILE 36 1HG2 ILE 36 -18.378 4.750 -1.138 300 2HG2 ILE 36 2HG2 ILE 36 -19.685 4.751 0.045 301 3HG2 ILE 36 3HG2 ILE 36 -19.278 6.234 -0.819 302 1HD1 ILE 36 1HD1 ILE 36 -18.062 5.654 -2.977 303 2HD1 ILE 36 2HD1 ILE 36 -18.607 6.527 -4.407 304 3HD1 ILE 36 3HD1 ILE 36 -18.698 4.766 -4.362 305 H GLY 37 H GLY 37 -21.766 2.838 -0.616 306 1HA GLY 37 2HA GLY 37 -20.192 1.828 1.453 307 2HA GLY 37 1HA GLY 37 -21.867 1.346 1.196 308 H ASP 38 H ASP 38 -21.606 -0.004 -1.262 309 HA ASP 38 HA ASP 38 -20.750 -2.617 -0.448 310 1HB ASP 38 2HB ASP 38 -21.261 -1.305 -3.134 311 2HB ASP 38 1HB ASP 38 -20.979 -3.035 -2.943 312 H THR 39 H THR 39 -19.119 -0.028 -2.221 313 HA THR 39 HA THR 39 -16.833 -1.472 -3.133 314 HB THR 39 HB THR 39 -16.907 1.404 -2.206 315 HG1 THR 39 1HG THR 39 -17.983 1.889 -4.006 316 1HG2 THR 39 1HG2 THR 39 -14.738 0.375 -2.946 317 2HG2 THR 39 2HG2 THR 39 -15.261 1.727 -3.949 318 3HG2 THR 39 3HG2 THR 39 -15.477 0.071 -4.518 319 H ALA 40 H ALA 40 -17.516 0.116 -0.029 320 HA ALA 40 HA ALA 40 -14.833 -0.308 1.038 321 1HB ALA 40 1HB ALA 40 -15.841 0.603 3.064 322 2HB ALA 40 2HB ALA 40 -17.460 0.293 2.436 323 3HB ALA 40 3HB ALA 40 -16.440 1.516 1.678 324 H LYS 41 H LYS 41 -18.033 -1.730 1.818 325 HA LYS 41 HA LYS 41 -16.976 -3.757 3.554 326 1HB LYS 41 2HB LYS 41 -19.261 -4.651 3.429 327 2HB LYS 41 1HB LYS 41 -19.291 -2.896 3.585 328 1HG LYS 41 2HG LYS 41 -19.461 -2.795 1.052 329 2HG LYS 41 1HG LYS 41 -19.728 -4.533 1.082 330 1HD LYS 41 2HD LYS 41 -21.883 -3.365 1.044 331 2HD LYS 41 1HD LYS 41 -21.674 -4.198 2.584 332 1HE LYS 41 2HE LYS 41 -20.600 -1.462 2.663 333 2HE LYS 41 1HE LYS 41 -22.334 -1.509 2.295 334 1HZ LYS 41 1HZ LYS 41 -21.804 -1.590 4.716 335 2HZ LYS 41 2HZ LYS 41 -21.072 -3.101 4.459 336 3HZ LYS 41 3HZ LYS 41 -22.733 -2.897 4.164 337 H LYS 42 H LYS 42 -17.444 -3.698 0.020 338 HA LYS 42 HA LYS 42 -17.125 -6.597 -0.271 339 1HB LYS 42 2HB LYS 42 -18.396 -4.876 -1.737 340 2HB LYS 42 1HB LYS 42 -16.812 -4.467 -2.396 341 1HG LYS 42 2HG LYS 42 -17.714 -6.113 -3.856 342 2HG LYS 42 1HG LYS 42 -16.541 -6.974 -2.855 343 1HD LYS 42 2HD LYS 42 -19.267 -6.841 -1.715 344 2HD LYS 42 1HD LYS 42 -19.142 -7.766 -3.208 345 1HE LYS 42 2HE LYS 42 -16.902 -8.425 -1.509 346 2HE LYS 42 1HE LYS 42 -18.411 -8.620 -0.603 347 1HZ LYS 42 1HZ LYS 42 -17.839 -9.716 -3.305 348 2HZ LYS 42 2HZ LYS 42 -19.333 -9.833 -2.505 349 3HZ LYS 42 3HZ LYS 42 -17.964 -10.614 -1.873 350 H LEU 43 H LEU 43 -14.934 -4.147 0.485 351 HA LEU 43 HA LEU 43 -12.704 -5.396 -1.061 352 1HB LEU 43 2HB LEU 43 -13.241 -2.727 0.224 353 2HB LEU 43 1HB LEU 43 -11.585 -3.214 -0.139 354 HG LEU 43 HG LEU 43 -13.841 -3.179 -2.163 355 1HD1 LEU 43 1HD1 LEU 43 -12.977 -1.126 -2.974 356 2HD1 LEU 43 2HD1 LEU 43 -11.491 -1.289 -2.037 357 3HD1 LEU 43 3HD1 LEU 43 -13.012 -0.923 -1.222 358 1HD2 LEU 43 1HD2 LEU 43 -11.757 -3.263 -3.709 359 2HD2 LEU 43 2HD2 LEU 43 -12.233 -4.753 -2.894 360 3HD2 LEU 43 3HD2 LEU 43 -10.889 -3.797 -2.270 361 H GLY 44 H GLY 44 -13.813 -4.570 2.202 362 1HA GLY 44 2HA GLY 44 -11.407 -5.272 3.596 363 2HA GLY 44 1HA GLY 44 -13.015 -5.202 4.316 364 H GLU 45 H GLU 45 -14.290 -7.156 2.705 365 HA GLU 45 HA GLU 45 -13.749 -9.562 4.088 366 1HB GLU 45 2HB GLU 45 -15.718 -8.727 2.560 367 2HB GLU 45 1HB GLU 45 -14.812 -9.524 1.273 368 1HG GLU 45 2HG GLU 45 -16.346 -11.155 2.138 369 2HG GLU 45 1HG GLU 45 -14.750 -11.591 2.750 370 H MET 46 H MET 46 -12.386 -8.357 1.043 371 HA MET 46 HA MET 46 -10.988 -10.858 0.428 372 1HB MET 46 2HB MET 46 -10.794 -8.024 -0.646 373 2HB MET 46 1HB MET 46 -10.040 -9.434 -1.391 374 1HG MET 46 2HG MET 46 -12.994 -9.411 -0.810 375 2HG MET 46 1HG MET 46 -12.363 -8.666 -2.279 376 1HE MET 46 1HE MET 46 -10.714 -9.705 -3.758 377 2HE MET 46 2HE MET 46 -12.268 -10.102 -4.485 378 3HE MET 46 3HE MET 46 -10.997 -11.320 -4.423 379 H TRP 47 H TRP 47 -10.019 -7.605 1.561 380 HA TRP 47 HA TRP 47 -7.229 -8.026 1.772 381 1HB TRP 47 2HB TRP 47 -8.495 -5.878 2.000 382 2HB TRP 47 1HB TRP 47 -9.029 -6.403 3.598 383 HD1 TRP 47 HD TRP 47 -7.484 -5.873 5.554 384 HE1 TRP 47 1HE TRP 47 -5.052 -5.052 5.803 385 HE3 TRP 47 3HE TRP 47 -5.993 -6.036 0.673 386 HZ2 TRP 47 2HZ TRP 47 -2.776 -4.532 4.150 387 HZ3 TRP 47 3HZ TRP 47 -3.692 -5.372 0.038 388 HH2 TRP 47 HH TRP 47 -2.083 -4.622 1.768 389 H SER 48 H SER 48 -9.810 -9.270 3.791 390 HA SER 48 HA SER 48 -7.969 -9.955 6.008 391 1HB SER 48 2HB SER 48 -10.331 -9.094 6.279 392 2HB SER 48 1HB SER 48 -10.901 -10.604 5.573 393 HG SER 48 HG SER 48 -10.427 -10.198 8.062 394 H GLU 49 H GLU 49 -9.788 -11.526 3.399 395 HA GLU 49 HA GLU 49 -9.329 -14.252 4.182 396 1HB GLU 49 2HB GLU 49 -9.938 -12.799 1.605 397 2HB GLU 49 1HB GLU 49 -9.731 -14.551 1.629 398 1HG GLU 49 2HG GLU 49 -11.535 -14.809 3.218 399 2HG GLU 49 1HG GLU 49 -11.663 -13.063 3.427 400 H GLN 50 H GLN 50 -7.433 -11.940 2.282 401 HA GLN 50 HA GLN 50 -5.496 -13.698 1.160 402 1HB GLN 50 2HB GLN 50 -5.356 -10.829 2.138 403 2HB GLN 50 1HB GLN 50 -4.102 -11.589 1.157 404 1HG GLN 50 2HG GLN 50 -6.977 -11.629 0.260 405 2HG GLN 50 1HG GLN 50 -5.959 -10.223 -0.055 406 1HE2 GLN 50 1HE2 GLN 50 -6.978 -13.019 -1.507 407 2HE2 GLN 50 2HE2 GLN 50 -5.649 -13.320 -2.519 408 H SER 51 H SER 51 -3.420 -14.337 1.915 409 HA SER 51 HA SER 51 -3.204 -14.638 4.852 410 1HB SER 51 2HB SER 51 -2.869 -16.466 3.109 411 2HB SER 51 1HB SER 51 -1.395 -15.629 2.626 412 HG SER 51 HG SER 51 -2.026 -16.937 5.036 413 H ALA 52 H ALA 52 -0.250 -14.763 4.757 414 HA ALA 52 HA ALA 52 0.302 -11.888 5.084 415 1HB ALA 52 1HB ALA 52 2.446 -12.785 5.975 416 2HB ALA 52 2HB ALA 52 1.968 -14.400 5.450 417 3HB ALA 52 3HB ALA 52 1.052 -13.577 6.712 418 H LYS 53 H LYS 53 -0.216 -12.215 2.422 419 HA LYS 53 HA LYS 53 2.502 -12.086 1.161 420 1HB LYS 53 2HB LYS 53 -0.010 -13.555 0.384 421 2HB LYS 53 1HB LYS 53 1.154 -13.081 -0.855 422 1HG LYS 53 2HG LYS 53 2.945 -14.233 0.472 423 2HG LYS 53 1HG LYS 53 1.693 -14.821 1.568 424 1HD LYS 53 2HD LYS 53 0.697 -16.165 -0.094 425 2HD LYS 53 1HD LYS 53 1.491 -15.288 -1.403 426 1HE LYS 53 2HE LYS 53 3.712 -16.147 -0.452 427 2HE LYS 53 1HE LYS 53 2.736 -17.254 0.535 428 1HZ LYS 53 1HZ LYS 53 3.295 -18.269 -1.591 429 2HZ LYS 53 2HZ LYS 53 2.581 -16.969 -2.421 430 3HZ LYS 53 3HZ LYS 53 1.623 -18.007 -1.478 431 H ASP 54 H ASP 54 -0.946 -11.202 0.873 432 HA ASP 54 HA ASP 54 -0.721 -9.319 -1.246 433 1HB ASP 54 2HB ASP 54 -2.756 -10.381 -0.014 434 2HB ASP 54 1HB ASP 54 -2.595 -9.022 1.099 435 H LYS 55 H LYS 55 -0.070 -8.977 2.223 436 HA LYS 55 HA LYS 55 0.418 -6.057 1.876 437 1HB LYS 55 2HB LYS 55 -1.003 -7.164 3.721 438 2HB LYS 55 1HB LYS 55 0.529 -7.681 4.421 439 1HG LYS 55 2HG LYS 55 1.242 -5.220 4.269 440 2HG LYS 55 1HG LYS 55 -0.457 -4.862 3.963 441 1HD LYS 55 2HD LYS 55 -1.053 -6.035 6.080 442 2HD LYS 55 1HD LYS 55 0.665 -6.276 6.400 443 1HE LYS 55 2HE LYS 55 1.043 -3.871 6.498 444 2HE LYS 55 1HE LYS 55 -0.636 -3.554 6.014 445 1HZ LYS 55 1HZ LYS 55 -0.364 -3.485 8.437 446 2HZ LYS 55 2HZ LYS 55 0.190 -5.091 8.422 447 3HZ LYS 55 3HZ LYS 55 -1.406 -4.735 7.961 448 H GLN 56 H GLN 56 2.292 -8.319 0.935 449 HA GLN 56 HA GLN 56 4.636 -7.830 2.699 450 1HB GLN 56 2HB GLN 56 3.691 -9.901 0.850 451 2HB GLN 56 1HB GLN 56 5.401 -9.532 0.645 452 1HG GLN 56 2HG GLN 56 4.219 -9.993 3.382 453 2HG GLN 56 1HG GLN 56 4.770 -11.340 2.385 454 1HE2 GLN 56 1HE2 GLN 56 5.853 -8.463 4.157 455 2HE2 GLN 56 2HE2 GLN 56 7.508 -8.838 4.099 456 HA PRO 57 HA PRO 57 6.306 -6.124 -1.369 457 1HB PRO 57 2HB PRO 57 4.848 -6.191 -3.656 458 2HB PRO 57 1HB PRO 57 5.836 -7.559 -3.108 459 1HG PRO 57 2HG PRO 57 2.924 -7.200 -3.054 460 2HG PRO 57 1HG PRO 57 3.871 -8.686 -3.145 461 1HD PRO 57 2HD PRO 57 2.594 -7.616 -0.871 462 2HD PRO 57 1HD PRO 57 3.740 -8.972 -0.916 463 H TYR 58 H TYR 58 2.818 -5.569 -1.085 464 HA TYR 58 HA TYR 58 2.960 -2.838 -2.144 465 1HB TYR 58 2HB TYR 58 1.024 -4.862 -1.657 466 2HB TYR 58 1HB TYR 58 0.540 -3.472 -0.687 467 HD1 TYR 58 1HD TYR 58 1.585 -4.466 -4.136 468 HD2 TYR 58 2HD TYR 58 -0.486 -1.601 -1.695 469 HE1 TYR 58 1HE TYR 58 0.734 -3.342 -6.176 470 HE2 TYR 58 2HE TYR 58 -1.336 -0.477 -3.736 471 HH TYR 58 HH TYR 58 -0.248 -0.472 -6.419 472 H GLU 59 H GLU 59 3.545 -4.229 0.951 473 HA GLU 59 HA GLU 59 2.588 -1.970 2.540 474 1HB GLU 59 2HB GLU 59 3.568 -3.245 4.373 475 2HB GLU 59 1HB GLU 59 2.741 -4.350 3.286 476 1HG GLU 59 2HG GLU 59 4.750 -5.482 3.538 477 2HG GLU 59 1HG GLU 59 5.142 -4.479 2.142 478 H GLN 60 H GLN 60 5.597 -2.835 0.948 479 HA GLN 60 HA GLN 60 7.274 -0.965 2.426 480 1HB GLN 60 2HB GLN 60 8.918 -1.598 0.695 481 2HB GLN 60 1HB GLN 60 8.089 -3.022 1.319 482 1HG GLN 60 2HG GLN 60 6.447 -2.300 -0.760 483 2HG GLN 60 1HG GLN 60 8.029 -1.841 -1.386 484 1HE2 GLN 60 1HE2 GLN 60 8.465 -3.575 -2.815 485 2HE2 GLN 60 2HE2 GLN 60 8.511 -5.202 -2.336 486 H LYS 61 H LYS 61 5.090 -0.686 -0.271 487 HA LYS 61 HA LYS 61 6.251 1.575 -1.611 488 1HB LYS 61 2HB LYS 61 4.503 0.114 -2.554 489 2HB LYS 61 1HB LYS 61 3.377 0.635 -1.302 490 1HG LYS 61 2HG LYS 61 3.280 2.853 -2.167 491 2HG LYS 61 1HG LYS 61 4.684 2.589 -3.204 492 1HD LYS 61 2HD LYS 61 3.154 0.650 -4.190 493 2HD LYS 61 1HD LYS 61 1.858 1.670 -3.563 494 1HE LYS 61 2HE LYS 61 2.989 3.620 -4.794 495 2HE LYS 61 1HE LYS 61 3.949 2.387 -5.633 496 1HZ LYS 61 1HZ LYS 61 0.984 2.381 -5.447 497 2HZ LYS 61 2HZ LYS 61 1.944 1.283 -6.318 498 3HZ LYS 61 3HZ LYS 61 1.857 2.910 -6.802 499 H ALA 62 H ALA 62 3.831 1.349 1.014 500 HA ALA 62 HA ALA 62 3.677 4.271 1.276 501 1HB ALA 62 1HB ALA 62 2.259 3.519 3.289 502 2HB ALA 62 2HB ALA 62 2.558 1.870 2.742 503 3HB ALA 62 3HB ALA 62 1.695 3.001 1.700 504 H ALA 63 H ALA 63 5.715 1.749 2.489 505 HA ALA 63 HA ALA 63 6.412 2.751 5.069 506 1HB ALA 63 1HB ALA 63 7.025 0.531 4.151 507 2HB ALA 63 2HB ALA 63 8.459 1.402 4.692 508 3HB ALA 63 3HB ALA 63 8.078 1.312 2.972 509 H LYS 64 H LYS 64 7.305 3.748 1.807 510 HA LYS 64 HA LYS 64 9.510 5.480 2.662 511 1HB LYS 64 2HB LYS 64 9.570 4.413 0.507 512 2HB LYS 64 1HB LYS 64 7.958 4.990 0.123 513 1HG LYS 64 2HG LYS 64 8.767 6.909 -0.718 514 2HG LYS 64 1HG LYS 64 9.667 7.233 0.763 515 1HD LYS 64 2HD LYS 64 11.292 7.076 -0.998 516 2HD LYS 64 1HD LYS 64 11.412 5.583 -0.065 517 1HE LYS 64 2HE LYS 64 10.034 4.399 -1.718 518 2HE LYS 64 1HE LYS 64 9.828 5.901 -2.643 519 1HZ LYS 64 1HZ LYS 64 11.671 4.660 -3.547 520 2HZ LYS 64 2HZ LYS 64 12.403 4.553 -2.018 521 3HZ LYS 64 3HZ LYS 64 12.262 6.059 -2.791 522 H LEU 65 H LEU 65 6.450 6.193 0.957 523 HA LEU 65 HA LEU 65 6.324 8.960 1.364 524 1HB LEU 65 2HB LEU 65 4.279 6.764 1.107 525 2HB LEU 65 1HB LEU 65 3.762 8.440 1.290 526 HG LEU 65 HG LEU 65 5.622 8.785 -0.622 527 1HD1 LEU 65 1HD1 LEU 65 5.091 6.794 -2.247 528 2HD1 LEU 65 2HD1 LEU 65 4.734 5.915 -0.761 529 3HD1 LEU 65 3HD1 LEU 65 6.341 6.593 -1.019 530 1HD2 LEU 65 1HD2 LEU 65 3.261 9.483 -0.744 531 2HD2 LEU 65 2HD2 LEU 65 2.780 7.820 -1.080 532 3HD2 LEU 65 3HD2 LEU 65 3.754 8.710 -2.251 533 H LYS 66 H LYS 66 5.737 6.427 3.715 534 HA LYS 66 HA LYS 66 4.170 7.894 5.620 535 1HB LYS 66 2HB LYS 66 4.513 5.448 5.629 536 2HB LYS 66 1HB LYS 66 6.226 5.683 5.972 537 1HG LYS 66 2HG LYS 66 5.856 6.125 8.173 538 2HG LYS 66 1HG LYS 66 4.411 7.079 7.837 539 1HD LYS 66 2HD LYS 66 3.022 5.184 7.773 540 2HD LYS 66 1HD LYS 66 4.375 4.087 7.495 541 1HE LYS 66 2HE LYS 66 5.209 4.583 9.802 542 2HE LYS 66 1HE LYS 66 3.760 5.571 10.075 543 1HZ LYS 66 1HZ LYS 66 3.819 2.697 9.318 544 2HZ LYS 66 2HZ LYS 66 2.409 3.639 9.431 545 3HZ LYS 66 3HZ LYS 66 3.340 3.330 10.817 546 H GLU 67 H GLU 67 7.701 7.300 5.496 547 HA GLU 67 HA GLU 67 8.405 9.006 7.681 548 1HB GLU 67 2HB GLU 67 9.844 7.987 5.219 549 2HB GLU 67 1HB GLU 67 10.668 8.928 6.463 550 1HG GLU 67 2HG GLU 67 10.149 7.282 8.151 551 2HG GLU 67 1HG GLU 67 9.103 6.399 7.038 552 H LYS 68 H LYS 68 8.431 9.631 4.153 553 HA LYS 68 HA LYS 68 9.305 12.341 4.256 554 1HB LYS 68 2HB LYS 68 7.573 10.761 2.338 555 2HB LYS 68 1HB LYS 68 8.122 12.400 1.991 556 1HG LYS 68 2HG LYS 68 10.064 10.230 2.784 557 2HG LYS 68 1HG LYS 68 9.576 10.460 1.104 558 1HD LYS 68 2HD LYS 68 10.416 12.717 1.086 559 2HD LYS 68 1HD LYS 68 10.688 12.686 2.829 560 1HE LYS 68 2HE LYS 68 12.843 12.293 1.881 561 2HE LYS 68 1HE LYS 68 12.268 10.676 2.337 562 1HZ LYS 68 1HZ LYS 68 11.399 10.377 0.113 563 2HZ LYS 68 2HZ LYS 68 13.058 10.733 0.033 564 3HZ LYS 68 3HZ LYS 68 11.910 11.931 -0.334 565 H TYR 69 H TYR 69 6.144 10.916 4.835 566 HA TYR 69 HA TYR 69 4.680 13.447 4.652 567 1HB TYR 69 2HB TYR 69 4.170 10.574 5.288 568 2HB TYR 69 1HB TYR 69 3.013 11.748 5.910 569 HD1 TYR 69 1HD TYR 69 5.001 11.596 2.723 570 HD2 TYR 69 2HD TYR 69 1.116 11.762 4.551 571 HE1 TYR 69 1HE TYR 69 3.954 11.761 0.482 572 HE2 TYR 69 2HE TYR 69 0.071 11.927 2.308 573 HH TYR 69 HH TYR 69 1.519 12.832 -0.333 574 H GLU 70 H GLU 70 5.117 11.166 7.381 575 HA GLU 70 HA GLU 70 4.351 12.841 9.494 576 1HB GLU 70 2HB GLU 70 6.531 10.735 9.350 577 2HB GLU 70 1HB GLU 70 5.829 11.340 10.850 578 1HG GLU 70 2HG GLU 70 3.555 10.710 9.575 579 2HG GLU 70 1HG GLU 70 4.631 9.559 8.782 580 H LYS 71 H LYS 71 7.500 12.704 7.866 581 HA LYS 71 HA LYS 71 8.842 14.496 9.733 582 1HB LYS 71 2HB LYS 71 9.401 13.386 6.977 583 2HB LYS 71 1HB LYS 71 10.513 14.507 7.764 584 1HG LYS 71 2HG LYS 71 9.544 12.099 9.273 585 2HG LYS 71 1HG LYS 71 10.836 11.914 8.087 586 1HD LYS 71 2HD LYS 71 11.958 13.915 9.277 587 2HD LYS 71 1HD LYS 71 10.821 13.601 10.589 588 1HE LYS 71 2HE LYS 71 11.637 11.194 10.593 589 2HE LYS 71 1HE LYS 71 12.925 11.713 9.486 590 1HZ LYS 71 1HZ LYS 71 13.600 11.883 11.830 591 2HZ LYS 71 2HZ LYS 71 12.327 12.972 12.112 592 3HZ LYS 71 3HZ LYS 71 13.594 13.393 11.059 593 H ASP 72 H ASP 72 7.645 14.911 6.373 594 HA ASP 72 HA ASP 72 8.183 17.767 6.327 595 1HB ASP 72 2HB ASP 72 8.079 16.125 4.391 596 2HB ASP 72 1HB ASP 72 6.324 16.142 4.572 597 H ILE 73 H ILE 73 5.438 15.826 7.357 598 HA ILE 73 HA ILE 73 3.535 18.049 7.206 599 HB ILE 73 HB ILE 73 3.066 15.545 6.966 600 1HG1 ILE 73 2HG1 ILE 73 0.911 15.733 8.307 601 2HG1 ILE 73 1HG1 ILE 73 1.513 17.286 8.888 602 1HG2 ILE 73 1HG2 ILE 73 4.406 14.955 9.054 603 2HG2 ILE 73 2HG2 ILE 73 2.821 14.198 8.922 604 3HG2 ILE 73 3HG2 ILE 73 3.052 15.584 9.989 605 1HD1 ILE 73 1HD1 ILE 73 0.006 17.373 6.823 606 2HD1 ILE 73 2HD1 ILE 73 1.337 16.621 5.944 607 3HD1 ILE 73 3HD1 ILE 73 1.554 18.206 6.686 608 H ALA 74 H ALA 74 5.483 16.472 9.727 609 HA ALA 74 HA ALA 74 4.570 17.457 12.121 610 1HB ALA 74 1HB ALA 74 7.024 17.573 12.740 611 2HB ALA 74 2HB ALA 74 7.396 17.351 11.030 612 3HB ALA 74 3HB ALA 74 6.547 16.087 11.920 613 H ALA 75 H ALA 75 6.255 19.362 9.652 614 HA ALA 75 HA ALA 75 6.594 21.771 11.218 615 1HB ALA 75 1HB ALA 75 7.786 21.199 9.094 616 2HB ALA 75 2HB ALA 75 6.977 22.763 8.985 617 3HB ALA 75 3HB ALA 75 6.260 21.345 8.222 618 H TYR 76 H TYR 76 4.177 20.737 8.813 619 HA TYR 76 HA TYR 76 2.390 22.988 9.194 620 1HB TYR 76 2HB TYR 76 2.637 21.390 7.204 621 2HB TYR 76 1HB TYR 76 1.756 20.202 8.168 622 HD1 TYR 76 1HD TYR 76 -0.611 20.393 8.531 623 HD2 TYR 76 2HD TYR 76 1.546 23.545 6.567 624 HE1 TYR 76 1HE TYR 76 -2.755 21.447 7.867 625 HE2 TYR 76 2HE TYR 76 -0.598 24.600 5.903 626 HH TYR 76 HH TYR 76 -3.023 23.742 5.514 627 H ARG 77 H ARG 77 2.010 19.544 10.032 628 HA ARG 77 HA ARG 77 -0.263 19.819 11.732 629 1HB ARG 77 2HB ARG 77 1.856 17.835 11.141 630 2HB ARG 77 1HB ARG 77 1.068 17.633 12.705 631 1HG ARG 77 2HG ARG 77 -1.147 17.933 11.360 632 2HG ARG 77 1HG ARG 77 -0.154 17.545 9.954 633 1HD ARG 77 2HD ARG 77 -0.778 15.392 10.554 634 2HD ARG 77 1HD ARG 77 0.645 15.556 11.603 635 HE ARG 77 HE ARG 77 -1.029 16.471 13.341 636 1HH1 ARG 77 1HH2 ARG 77 -3.493 16.292 11.738 637 2HH1 ARG 77 2HH2 ARG 77 -4.130 14.740 12.170 638 1HH2 ARG 77 1HH1 ARG 77 -1.146 13.592 13.512 639 2HH2 ARG 77 2HH1 ARG 77 -2.802 13.213 13.175 640 H ALA 78 H ALA 78 3.161 19.376 12.731 641 HA ALA 78 HA ALA 78 4.289 20.031 14.697 642 1HB ALA 78 1HB ALA 78 3.925 22.288 15.281 643 2HB ALA 78 2HB ALA 78 2.196 22.189 14.945 644 3HB ALA 78 3HB ALA 78 3.352 22.216 13.614 645 H LYS 79 H LYS 79 3.015 17.925 15.419 646 HA LYS 79 HA LYS 79 0.773 18.159 17.206 647 1HB LYS 79 2HB LYS 79 1.450 15.845 17.828 648 2HB LYS 79 1HB LYS 79 1.450 16.082 16.080 649 1HG LYS 79 2HG LYS 79 4.016 16.824 16.750 650 2HG LYS 79 1HG LYS 79 3.702 15.524 17.900 651 1HD LYS 79 2HD LYS 79 3.152 15.260 14.934 652 2HD LYS 79 1HD LYS 79 4.681 14.782 15.673 653 1HE LYS 79 2HE LYS 79 2.206 13.747 16.976 654 2HE LYS 79 1HE LYS 79 2.641 13.045 15.405 655 1HZ LYS 79 1HZ LYS 79 4.437 13.328 17.757 656 2HZ LYS 79 2HZ LYS 79 4.912 12.747 16.233 657 3HZ LYS 79 3HZ LYS 79 3.791 11.875 17.166 Start of MODEL 30 1 1H MET 1 1HT MET 1 -13.267 22.641 0.132 2 2H MET 1 2HT MET 1 -13.656 24.002 -0.809 3 3H MET 1 3HT MET 1 -12.315 24.042 0.234 4 HA MET 1 HA MET 1 -12.581 22.318 -2.181 5 1HB MET 1 2HB MET 1 -12.332 24.871 -2.366 6 2HB MET 1 1HB MET 1 -10.740 24.657 -1.637 7 1HG MET 1 2HG MET 1 -10.125 23.091 -3.451 8 2HG MET 1 1HG MET 1 -11.710 23.330 -4.187 9 1HE MET 1 1HE MET 1 -11.532 24.112 -6.149 10 2HE MET 1 2HE MET 1 -9.798 24.110 -6.466 11 3HE MET 1 3HE MET 1 -10.741 25.566 -6.775 12 H LYS 2 H LYS 2 -11.491 20.444 -1.723 13 HA LYS 2 HA LYS 2 -9.237 20.481 0.223 14 1HB LYS 2 2HB LYS 2 -11.136 18.483 -0.951 15 2HB LYS 2 1HB LYS 2 -9.585 17.898 -0.346 16 1HG LYS 2 2HG LYS 2 -11.050 17.765 1.519 17 2HG LYS 2 1HG LYS 2 -10.104 19.229 1.792 18 1HD LYS 2 2HD LYS 2 -11.882 20.636 1.294 19 2HD LYS 2 1HD LYS 2 -12.679 19.440 0.271 20 1HE LYS 2 2HE LYS 2 -12.679 18.195 2.741 21 2HE LYS 2 1HE LYS 2 -12.941 19.901 3.157 22 1HZ LYS 2 1HZ LYS 2 -14.435 18.346 1.111 23 2HZ LYS 2 2HZ LYS 2 -14.638 20.005 1.415 24 3HZ LYS 2 3HZ LYS 2 -15.042 18.865 2.607 25 H LYS 3 H LYS 3 -7.510 21.321 -1.043 26 HA LYS 3 HA LYS 3 -6.187 19.461 -2.816 27 1HB LYS 3 2HB LYS 3 -8.118 20.543 -4.144 28 2HB LYS 3 1HB LYS 3 -7.166 22.026 -4.079 29 1HG LYS 3 2HG LYS 3 -5.300 20.938 -5.199 30 2HG LYS 3 1HG LYS 3 -6.137 19.386 -5.156 31 1HD LYS 3 2HD LYS 3 -7.379 21.789 -6.491 32 2HD LYS 3 1HD LYS 3 -6.252 20.743 -7.357 33 1HE LYS 3 2HE LYS 3 -7.738 18.778 -6.625 34 2HE LYS 3 1HE LYS 3 -8.940 20.005 -6.176 35 1HZ LYS 3 1HZ LYS 3 -8.765 20.946 -8.392 36 2HZ LYS 3 2HZ LYS 3 -9.219 19.311 -8.484 37 3HZ LYS 3 3HZ LYS 3 -7.621 19.773 -8.830 38 H LYS 4 H LYS 4 -4.814 20.198 -0.846 39 HA LYS 4 HA LYS 4 -3.719 22.813 -0.619 40 1HB LYS 4 2HB LYS 4 -2.821 20.025 0.099 41 2HB LYS 4 1HB LYS 4 -1.793 21.416 0.447 42 1HG LYS 4 2HG LYS 4 -3.541 22.442 1.786 43 2HG LYS 4 1HG LYS 4 -4.679 21.169 1.341 44 1HD LYS 4 2HD LYS 4 -3.890 20.534 3.486 45 2HD LYS 4 1HD LYS 4 -2.972 19.531 2.362 46 1HE LYS 4 2HE LYS 4 -1.026 20.923 2.562 47 2HE LYS 4 1HE LYS 4 -1.940 22.185 3.410 48 1HZ LYS 4 1HZ LYS 4 -1.548 19.402 4.377 49 2HZ LYS 4 2HZ LYS 4 -2.410 20.624 5.183 50 3HZ LYS 4 3HZ LYS 4 -0.731 20.765 4.971 51 H ASP 5 H ASP 5 -2.156 19.937 -2.091 52 HA ASP 5 HA ASP 5 -1.130 21.518 -4.341 53 1HB ASP 5 2HB ASP 5 0.427 20.904 -1.879 54 2HB ASP 5 1HB ASP 5 1.271 20.677 -3.411 55 HA PRO 6 HA PRO 6 -0.963 17.476 -6.097 56 1HB PRO 6 2HB PRO 6 1.106 17.662 -7.878 57 2HB PRO 6 1HB PRO 6 -0.465 18.444 -8.140 58 1HG PRO 6 2HG PRO 6 2.097 19.616 -7.187 59 2HG PRO 6 1HG PRO 6 0.872 20.303 -8.264 60 1HD PRO 6 2HD PRO 6 1.119 20.972 -5.628 61 2HD PRO 6 1HD PRO 6 -0.406 21.071 -6.534 62 H ASN 7 H ASN 7 2.323 18.702 -5.361 63 HA ASN 7 HA ASN 7 3.248 15.958 -4.717 64 1HB ASN 7 2HB ASN 7 4.488 17.725 -6.095 65 2HB ASN 7 1HB ASN 7 4.757 18.577 -4.575 66 1HD2 ASN 7 1HD2 ASN 7 5.302 15.380 -6.131 67 2HD2 ASN 7 2HD2 ASN 7 6.686 15.006 -5.223 68 H ALA 8 H ALA 8 1.296 17.544 -2.957 69 HA ALA 8 HA ALA 8 2.919 17.952 -0.502 70 1HB ALA 8 1HB ALA 8 0.358 18.541 0.165 71 2HB ALA 8 2HB ALA 8 0.267 18.749 -1.584 72 3HB ALA 8 3HB ALA 8 1.423 19.692 -0.642 73 HA PRO 9 HA PRO 9 1.665 13.840 0.746 74 1HB PRO 9 2HB PRO 9 2.591 13.904 3.316 75 2HB PRO 9 1HB PRO 9 3.655 13.681 1.913 76 1HG PRO 9 2HG PRO 9 3.133 16.125 3.524 77 2HG PRO 9 1HG PRO 9 4.644 15.546 2.807 78 1HD PRO 9 2HD PRO 9 3.114 17.538 1.728 79 2HD PRO 9 1HD PRO 9 4.192 16.494 0.776 80 H LYS 10 H LYS 10 -0.644 14.667 0.637 81 HA LYS 10 HA LYS 10 -1.745 15.345 3.301 82 1HB LYS 10 2HB LYS 10 -3.625 16.287 2.031 83 2HB LYS 10 1HB LYS 10 -2.100 16.936 1.432 84 1HG LYS 10 2HG LYS 10 -2.482 14.617 -0.084 85 2HG LYS 10 1HG LYS 10 -4.096 15.313 0.043 86 1HD LYS 10 2HD LYS 10 -3.030 17.543 -0.622 87 2HD LYS 10 1HD LYS 10 -1.597 16.612 -1.058 88 1HE LYS 10 2HE LYS 10 -4.291 15.778 -2.122 89 2HE LYS 10 1HE LYS 10 -3.382 17.079 -2.918 90 1HZ LYS 10 1HZ LYS 10 -1.468 15.648 -3.066 91 2HZ LYS 10 2HZ LYS 10 -2.795 14.866 -3.786 92 3HZ LYS 10 3HZ LYS 10 -2.272 14.408 -2.235 93 H ARG 11 H ARG 11 -1.037 12.619 2.251 94 HA ARG 11 HA ARG 11 -3.481 11.244 3.114 95 1HB ARG 11 2HB ARG 11 -3.503 11.972 0.549 96 2HB ARG 11 1HB ARG 11 -2.518 10.519 0.372 97 1HG ARG 11 2HG ARG 11 -4.702 9.694 0.116 98 2HG ARG 11 1HG ARG 11 -4.365 9.380 1.819 99 1HD ARG 11 2HD ARG 11 -5.369 11.876 2.048 100 2HD ARG 11 1HD ARG 11 -6.247 11.340 0.602 101 HE ARG 11 HE ARG 11 -6.148 9.510 2.946 102 1HH1 ARG 11 1HH2 ARG 11 -7.931 12.193 2.329 103 2HH1 ARG 11 2HH2 ARG 11 -9.459 11.398 2.151 104 1HH2 ARG 11 1HH1 ARG 11 -8.091 8.212 2.067 105 2HH2 ARG 11 2HH1 ARG 11 -9.550 9.144 2.003 106 HA PRO 12 HA PRO 12 0.366 8.935 4.000 107 1HB PRO 12 2HB PRO 12 -0.441 7.942 6.412 108 2HB PRO 12 1HB PRO 12 0.272 9.554 6.216 109 1HG PRO 12 2HG PRO 12 -2.565 8.774 6.575 110 2HG PRO 12 1HG PRO 12 -1.694 10.196 7.159 111 1HD PRO 12 2HD PRO 12 -3.391 10.185 4.992 112 2HD PRO 12 1HD PRO 12 -2.109 11.382 5.268 113 HA PRO 13 HA PRO 13 -1.914 5.278 2.604 114 1HB PRO 13 2HB PRO 13 0.173 4.090 1.297 115 2HB PRO 13 1HB PRO 13 -0.787 5.404 0.589 116 1HG PRO 13 2HG PRO 13 1.937 5.458 1.715 117 2HG PRO 13 1HG PRO 13 1.205 6.475 0.468 118 1HD PRO 13 2HD PRO 13 1.624 7.169 3.158 119 2HD PRO 13 1HD PRO 13 0.636 8.057 1.982 120 H SER 14 H SER 14 -1.768 2.975 3.205 121 HA SER 14 HA SER 14 0.436 2.183 5.027 122 1HB SER 14 2HB SER 14 -1.245 3.431 6.369 123 2HB SER 14 1HB SER 14 -2.486 2.298 5.841 124 HG SER 14 HG SER 14 -1.553 0.719 7.004 125 H ALA 15 H ALA 15 0.097 0.974 2.607 126 HA ALA 15 HA ALA 15 -0.113 -1.147 1.646 127 1HB ALA 15 1HB ALA 15 0.372 -2.749 3.166 128 2HB ALA 15 2HB ALA 15 -1.224 -2.592 3.901 129 3HB ALA 15 3HB ALA 15 0.099 -1.558 4.439 130 H PHE 16 H PHE 16 -2.774 -1.350 4.039 131 HA PHE 16 HA PHE 16 -4.753 -2.402 2.399 132 1HB PHE 16 2HB PHE 16 -4.717 -1.826 4.900 133 2HB PHE 16 1HB PHE 16 -5.244 -0.212 4.419 134 HD1 PHE 16 1HD PHE 16 -7.528 0.220 4.093 135 HD2 PHE 16 2HD PHE 16 -6.098 -3.829 3.942 136 HE1 PHE 16 1HE PHE 16 -9.860 -0.596 3.889 137 HE2 PHE 16 2HE PHE 16 -8.432 -4.645 3.740 138 HZ PHE 16 HZ PHE 16 -10.312 -3.029 3.712 139 H PHE 17 H PHE 17 -4.213 1.104 2.947 140 HA PHE 17 HA PHE 17 -6.210 2.087 1.175 141 1HB PHE 17 2HB PHE 17 -4.839 3.347 2.883 142 2HB PHE 17 1HB PHE 17 -3.478 3.276 1.761 143 HD1 PHE 17 1HD PHE 17 -3.361 4.710 -0.150 144 HD2 PHE 17 2HD PHE 17 -6.941 4.546 2.218 145 HE1 PHE 17 1HE PHE 17 -4.244 6.692 -1.350 146 HE2 PHE 17 2HE PHE 17 -7.825 6.529 1.017 147 HZ PHE 17 HZ PHE 17 -6.476 7.602 -0.766 148 H LEU 18 H LEU 18 -2.806 1.222 0.573 149 HA LEU 18 HA LEU 18 -2.614 2.038 -2.144 150 1HB LEU 18 2HB LEU 18 -1.331 -0.347 -0.761 151 2HB LEU 18 1HB LEU 18 -0.721 0.468 -2.196 152 HG LEU 18 HG LEU 18 -0.966 1.671 0.584 153 1HD1 LEU 18 1HD1 LEU 18 1.312 0.667 -1.108 154 2HD1 LEU 18 2HD1 LEU 18 0.941 0.297 0.576 155 3HD1 LEU 18 3HD1 LEU 18 1.580 1.882 0.141 156 1HD2 LEU 18 1HD2 LEU 18 -1.357 3.484 -0.894 157 2HD2 LEU 18 2HD2 LEU 18 -0.247 2.847 -2.106 158 3HD2 LEU 18 3HD2 LEU 18 0.384 3.543 -0.614 159 H PHE 19 H PHE 19 -3.549 -1.116 -0.750 160 HA PHE 19 HA PHE 19 -4.067 -2.409 -3.282 161 1HB PHE 19 2HB PHE 19 -3.568 -3.520 -1.101 162 2HB PHE 19 1HB PHE 19 -5.136 -2.983 -0.497 163 HD1 PHE 19 1HD PHE 19 -3.439 -5.141 -2.988 164 HD2 PHE 19 2HD PHE 19 -7.178 -4.061 -1.171 165 HE1 PHE 19 1HE PHE 19 -4.516 -7.119 -4.029 166 HE2 PHE 19 2HE PHE 19 -8.255 -6.038 -2.212 167 HZ PHE 19 HZ PHE 19 -6.924 -7.567 -3.641 168 H CYS 20 H CYS 20 -6.277 -1.059 -0.801 169 HA CYS 20 HA CYS 20 -8.732 -1.500 -2.137 170 1HB CYS 20 2HB CYS 20 -7.666 0.456 -0.128 171 2HB CYS 20 1HB CYS 20 -9.293 0.697 -0.765 172 HG CYS 20 HG CYS 20 -8.388 -1.812 0.859 173 H SER 21 H SER 21 -6.780 1.516 -2.159 174 HA SER 21 HA SER 21 -8.341 2.960 -4.040 175 1HB SER 21 2HB SER 21 -6.531 3.857 -2.594 176 2HB SER 21 1HB SER 21 -5.342 2.993 -3.565 177 HG SER 21 HG SER 21 -6.093 5.367 -4.010 178 H GLU 22 H GLU 22 -5.873 0.482 -4.536 179 HA GLU 22 HA GLU 22 -5.734 0.944 -7.438 180 1HB GLU 22 2HB GLU 22 -4.465 -0.800 -5.380 181 2HB GLU 22 1HB GLU 22 -4.359 -1.300 -7.064 182 1HG GLU 22 2HG GLU 22 -3.557 1.439 -6.043 183 2HG GLU 22 1HG GLU 22 -2.425 0.119 -6.340 184 H TYR 23 H TYR 23 -7.349 -1.257 -5.198 185 HA TYR 23 HA TYR 23 -8.336 -2.930 -7.454 186 1HB TYR 23 2HB TYR 23 -8.083 -3.149 -4.477 187 2HB TYR 23 1HB TYR 23 -9.276 -4.155 -5.299 188 HD1 TYR 23 1HD TYR 23 -8.619 -6.139 -6.374 189 HD2 TYR 23 2HD TYR 23 -5.670 -3.163 -5.425 190 HE1 TYR 23 1HE TYR 23 -6.822 -7.690 -7.091 191 HE2 TYR 23 2HE TYR 23 -3.873 -4.715 -6.142 192 HH TYR 23 HH TYR 23 -4.005 -7.725 -6.315 193 H ARG 24 H ARG 24 -9.355 -0.082 -6.240 194 HA ARG 24 HA ARG 24 -12.140 -0.678 -5.634 195 1HB ARG 24 2HB ARG 24 -10.331 1.671 -5.803 196 2HB ARG 24 1HB ARG 24 -12.049 1.976 -6.058 197 1HG ARG 24 2HG ARG 24 -12.643 1.164 -3.927 198 2HG ARG 24 1HG ARG 24 -11.108 0.322 -3.725 199 1HD ARG 24 2HD ARG 24 -9.969 2.256 -3.128 200 2HD ARG 24 1HD ARG 24 -11.053 3.304 -4.065 201 HE ARG 24 HE ARG 24 -12.011 1.902 -1.599 202 1HH1 ARG 24 1HH1 ARG 24 -10.634 4.685 -1.523 203 2HH1 ARG 24 2HH1 ARG 24 -12.028 5.711 -1.441 204 1HH2 ARG 24 1HH2 ARG 24 -14.246 3.220 -2.386 205 2HH2 ARG 24 2HH2 ARG 24 -14.072 4.881 -1.930 206 HA PRO 25 HA PRO 25 -12.832 1.365 -9.964 207 1HB PRO 25 2HB PRO 25 -10.744 1.239 -11.740 208 2HB PRO 25 1HB PRO 25 -11.076 2.645 -10.708 209 1HG PRO 25 2HG PRO 25 -9.114 0.438 -10.319 210 2HG PRO 25 1HG PRO 25 -8.919 2.178 -10.055 211 1HD PRO 25 2HD PRO 25 -9.332 0.481 -8.039 212 2HD PRO 25 1HD PRO 25 -9.995 2.126 -8.008 213 H LYS 26 H LYS 26 -11.044 -1.511 -9.267 214 HA LYS 26 HA LYS 26 -11.676 -3.009 -11.680 215 1HB LYS 26 2HB LYS 26 -9.857 -3.437 -9.933 216 2HB LYS 26 1HB LYS 26 -11.147 -3.995 -8.863 217 1HG LYS 26 2HG LYS 26 -10.926 -5.139 -11.633 218 2HG LYS 26 1HG LYS 26 -9.864 -5.739 -10.360 219 1HD LYS 26 2HD LYS 26 -12.043 -5.958 -8.956 220 2HD LYS 26 1HD LYS 26 -12.869 -5.856 -10.511 221 1HE LYS 26 2HE LYS 26 -11.865 -7.850 -11.309 222 2HE LYS 26 1HE LYS 26 -10.606 -7.815 -10.059 223 1HZ LYS 26 1HZ LYS 26 -12.284 -8.112 -8.371 224 2HZ LYS 26 2HZ LYS 26 -12.407 -9.371 -9.505 225 3HZ LYS 26 3HZ LYS 26 -13.519 -8.085 -9.531 226 H ILE 27 H ILE 27 -12.980 -2.908 -8.363 227 HA ILE 27 HA ILE 27 -15.147 -4.701 -8.611 228 HB ILE 27 HB ILE 27 -15.139 -2.069 -7.097 229 1HG1 ILE 27 2HG1 ILE 27 -13.077 -3.063 -6.439 230 2HG1 ILE 27 1HG1 ILE 27 -14.214 -3.479 -5.175 231 1HG2 ILE 27 1HG2 ILE 27 -16.507 -4.725 -6.653 232 2HG2 ILE 27 2HG2 ILE 27 -17.262 -3.172 -7.017 233 3HG2 ILE 27 3HG2 ILE 27 -16.475 -3.426 -5.459 234 1HD1 ILE 27 1HD1 ILE 27 -14.599 -5.657 -6.524 235 2HD1 ILE 27 2HD1 ILE 27 -13.105 -5.505 -5.600 236 3HD1 ILE 27 3HD1 ILE 27 -13.094 -5.240 -7.343 237 H LYS 28 H LYS 28 -14.923 -1.273 -9.397 238 HA LYS 28 HA LYS 28 -17.707 -0.856 -9.941 239 1HB LYS 28 2HB LYS 28 -15.648 0.769 -11.390 240 2HB LYS 28 1HB LYS 28 -17.089 1.295 -10.537 241 1HG LYS 28 2HG LYS 28 -14.398 0.582 -9.397 242 2HG LYS 28 1HG LYS 28 -15.230 2.116 -9.294 243 1HD LYS 28 2HD LYS 28 -16.017 -0.456 -7.881 244 2HD LYS 28 1HD LYS 28 -15.325 0.983 -7.143 245 1HE LYS 28 2HE LYS 28 -17.918 1.111 -8.708 246 2HE LYS 28 1HE LYS 28 -17.885 0.749 -6.971 247 1HZ LYS 28 1HZ LYS 28 -16.485 2.744 -6.674 248 2HZ LYS 28 2HZ LYS 28 -18.036 3.116 -7.257 249 3HZ LYS 28 3HZ LYS 28 -16.705 3.125 -8.312 250 H SER 29 H SER 29 -14.969 -1.690 -12.061 251 HA SER 29 HA SER 29 -16.269 -1.498 -14.575 252 1HB SER 29 2HB SER 29 -13.825 -1.870 -14.065 253 2HB SER 29 1HB SER 29 -14.212 -3.546 -13.693 254 HG SER 29 HG SER 29 -13.532 -2.895 -15.950 255 H GLU 30 H GLU 30 -16.595 -3.914 -12.060 256 HA GLU 30 HA GLU 30 -18.245 -5.614 -13.899 257 1HB GLU 30 2HB GLU 30 -16.212 -6.090 -11.838 258 2HB GLU 30 1HB GLU 30 -17.660 -7.063 -11.593 259 1HG GLU 30 2HG GLU 30 -16.362 -6.865 -14.309 260 2HG GLU 30 1HG GLU 30 -15.802 -8.036 -13.114 261 H HIS 31 H HIS 31 -18.239 -3.750 -10.937 262 HA HIS 31 HA HIS 31 -21.065 -4.605 -10.408 263 1HB HIS 31 2HB HIS 31 -18.985 -3.512 -8.480 264 2HB HIS 31 1HB HIS 31 -20.571 -4.147 -8.057 265 HD1 HIS 31 1HD HIS 31 -17.110 -5.182 -8.915 266 HD2 HIS 31 2HD HIS 31 -20.801 -7.025 -8.323 267 HE1 HIS 31 1HE HIS 31 -16.644 -7.658 -8.691 268 HA PRO 32 HA PRO 32 -21.271 -0.178 -11.512 269 1HB PRO 32 2HB PRO 32 -23.824 -0.257 -12.492 270 2HB PRO 32 1HB PRO 32 -22.401 -0.681 -13.454 271 1HG PRO 32 2HG PRO 32 -24.402 -2.443 -12.171 272 2HG PRO 32 1HG PRO 32 -23.501 -2.661 -13.678 273 1HD PRO 32 2HD PRO 32 -22.908 -3.908 -11.291 274 2HD PRO 32 1HD PRO 32 -21.773 -3.687 -12.637 275 H GLY 33 H GLY 33 -23.491 -2.211 -9.703 276 1HA GLY 33 2HA GLY 33 -24.821 0.076 -8.428 277 2HA GLY 33 1HA GLY 33 -25.133 -1.625 -8.099 278 H LEU 34 H LEU 34 -21.938 -1.688 -7.906 279 HA LEU 34 HA LEU 34 -21.778 -1.807 -5.058 280 1HB LEU 34 2HB LEU 34 -20.120 -2.187 -7.383 281 2HB LEU 34 1HB LEU 34 -19.213 -1.253 -6.201 282 HG LEU 34 HG LEU 34 -18.911 -3.713 -5.930 283 1HD1 LEU 34 1HD1 LEU 34 -19.965 -1.895 -3.840 284 2HD1 LEU 34 2HD1 LEU 34 -18.435 -2.768 -3.912 285 3HD1 LEU 34 3HD1 LEU 34 -19.905 -3.607 -3.418 286 1HD2 LEU 34 1HD2 LEU 34 -20.651 -5.164 -5.781 287 2HD2 LEU 34 2HD2 LEU 34 -21.640 -3.845 -6.404 288 3HD2 LEU 34 3HD2 LEU 34 -21.536 -4.121 -4.667 289 H SER 35 H SER 35 -22.790 0.300 -4.457 290 HA SER 35 HA SER 35 -21.536 2.836 -5.085 291 1HB SER 35 2HB SER 35 -23.367 1.966 -2.825 292 2HB SER 35 1HB SER 35 -23.047 3.637 -3.280 293 HG SER 35 HG SER 35 -24.939 2.234 -4.213 294 H ILE 36 H ILE 36 -20.637 4.248 -3.210 295 HA ILE 36 HA ILE 36 -18.219 3.237 -2.190 296 HB ILE 36 HB ILE 36 -20.066 5.406 -1.139 297 1HG1 ILE 36 2HG1 ILE 36 -19.335 5.715 -3.479 298 2HG1 ILE 36 1HG1 ILE 36 -18.577 6.908 -2.426 299 1HG2 ILE 36 1HG2 ILE 36 -17.843 6.334 -0.228 300 2HG2 ILE 36 2HG2 ILE 36 -17.202 4.708 -0.462 301 3HG2 ILE 36 3HG2 ILE 36 -18.552 4.973 0.642 302 1HD1 ILE 36 1HD1 ILE 36 -16.849 6.067 -3.869 303 2HD1 ILE 36 2HD1 ILE 36 -17.323 4.396 -3.565 304 3HD1 ILE 36 3HD1 ILE 36 -16.575 5.348 -2.282 305 H GLY 37 H GLY 37 -21.463 2.990 -0.845 306 1HA GLY 37 2HA GLY 37 -20.799 2.250 1.824 307 2HA GLY 37 1HA GLY 37 -22.284 1.781 0.992 308 H ASP 38 H ASP 38 -21.928 -0.015 -0.706 309 HA ASP 38 HA ASP 38 -20.838 -2.339 0.602 310 1HB ASP 38 2HB ASP 38 -22.717 -2.020 -1.182 311 2HB ASP 38 1HB ASP 38 -21.398 -2.103 -2.350 312 H THR 39 H THR 39 -19.515 -0.063 -1.731 313 HA THR 39 HA THR 39 -17.317 -1.662 -2.685 314 HB THR 39 HB THR 39 -17.682 1.337 -2.390 315 HG1 THR 39 1HG THR 39 -18.141 -0.484 -4.512 316 1HG2 THR 39 1HG2 THR 39 -15.665 -0.317 -3.920 317 2HG2 THR 39 2HG2 THR 39 -15.348 0.956 -2.743 318 3HG2 THR 39 3HG2 THR 39 -16.015 1.364 -4.323 319 H ALA 40 H ALA 40 -17.815 0.226 0.238 320 HA ALA 40 HA ALA 40 -14.998 0.293 1.015 321 1HB ALA 40 1HB ALA 40 -16.030 1.097 3.169 322 2HB ALA 40 2HB ALA 40 -17.617 0.760 2.478 323 3HB ALA 40 3HB ALA 40 -16.584 1.991 1.753 324 H LYS 41 H LYS 41 -17.864 -1.568 2.059 325 HA LYS 41 HA LYS 41 -16.262 -3.292 3.803 326 1HB LYS 41 2HB LYS 41 -18.437 -4.315 4.282 327 2HB LYS 41 1HB LYS 41 -18.571 -2.561 4.319 328 1HG LYS 41 2HG LYS 41 -19.235 -2.861 1.777 329 2HG LYS 41 1HG LYS 41 -19.617 -4.504 2.283 330 1HD LYS 41 2HD LYS 41 -21.612 -3.103 2.476 331 2HD LYS 41 1HD LYS 41 -21.070 -3.595 4.079 332 1HE LYS 41 2HE LYS 41 -19.716 -1.147 3.432 333 2HE LYS 41 1HE LYS 41 -21.447 -0.927 3.101 334 1HZ LYS 41 1HZ LYS 41 -20.259 -2.027 5.594 335 2HZ LYS 41 2HZ LYS 41 -21.925 -1.947 5.266 336 3HZ LYS 41 3HZ LYS 41 -21.018 -0.520 5.426 337 H LYS 42 H LYS 42 -17.026 -3.339 0.433 338 HA LYS 42 HA LYS 42 -17.049 -6.252 0.126 339 1HB LYS 42 2HB LYS 42 -18.220 -4.728 -1.415 340 2HB LYS 42 1HB LYS 42 -16.695 -3.943 -1.821 341 1HG LYS 42 2HG LYS 42 -17.302 -5.553 -3.564 342 2HG LYS 42 1HG LYS 42 -15.853 -6.099 -2.722 343 1HD LYS 42 2HD LYS 42 -16.879 -8.028 -2.182 344 2HD LYS 42 1HD LYS 42 -18.119 -7.132 -1.306 345 1HE LYS 42 2HE LYS 42 -19.546 -7.980 -2.874 346 2HE LYS 42 1HE LYS 42 -18.860 -6.747 -3.950 347 1HZ LYS 42 1HZ LYS 42 -17.747 -9.472 -3.536 348 2HZ LYS 42 2HZ LYS 42 -17.122 -8.287 -4.580 349 3HZ LYS 42 3HZ LYS 42 -18.640 -8.983 -4.893 350 H LEU 43 H LEU 43 -14.755 -3.726 -0.995 351 HA LEU 43 HA LEU 43 -12.609 -5.358 -1.762 352 1HB LEU 43 2HB LEU 43 -12.698 -2.634 -0.435 353 2HB LEU 43 1HB LEU 43 -11.242 -3.303 -1.174 354 HG LEU 43 HG LEU 43 -13.841 -3.117 -2.700 355 1HD1 LEU 43 1HD1 LEU 43 -13.395 -0.848 -2.033 356 2HD1 LEU 43 2HD1 LEU 43 -12.828 -1.013 -3.695 357 3HD1 LEU 43 3HD1 LEU 43 -11.673 -1.028 -2.363 358 1HD2 LEU 43 1HD2 LEU 43 -12.144 -3.022 -4.605 359 2HD2 LEU 43 2HD2 LEU 43 -12.213 -4.550 -3.726 360 3HD2 LEU 43 3HD2 LEU 43 -10.909 -3.406 -3.406 361 H GLY 44 H GLY 44 -13.677 -4.589 1.491 362 1HA GLY 44 2HA GLY 44 -11.243 -5.275 2.872 363 2HA GLY 44 1HA GLY 44 -12.853 -5.235 3.596 364 H GLU 45 H GLU 45 -14.118 -7.122 1.901 365 HA GLU 45 HA GLU 45 -13.613 -9.587 3.185 366 1HB GLU 45 2HB GLU 45 -15.472 -8.587 1.499 367 2HB GLU 45 1HB GLU 45 -14.579 -9.604 0.367 368 1HG GLU 45 2HG GLU 45 -14.778 -11.448 2.171 369 2HG GLU 45 1HG GLU 45 -16.029 -10.426 2.880 370 H MET 46 H MET 46 -12.251 -8.307 0.160 371 HA MET 46 HA MET 46 -10.860 -10.728 -0.609 372 1HB MET 46 2HB MET 46 -10.666 -7.788 -1.289 373 2HB MET 46 1HB MET 46 -9.584 -8.975 -2.020 374 1HG MET 46 2HG MET 46 -12.589 -9.300 -2.058 375 2HG MET 46 1HG MET 46 -11.721 -8.440 -3.329 376 1HE MET 46 1HE MET 46 -13.588 -10.598 -3.698 377 2HE MET 46 2HE MET 46 -13.197 -11.909 -2.587 378 3HE MET 46 3HE MET 46 -12.956 -12.129 -4.318 379 H TRP 47 H TRP 47 -9.696 -7.668 0.842 380 HA TRP 47 HA TRP 47 -6.999 -8.274 1.257 381 1HB TRP 47 2HB TRP 47 -8.293 -6.143 1.729 382 2HB TRP 47 1HB TRP 47 -8.809 -6.880 3.247 383 HD1 TRP 47 HD TRP 47 -7.247 -6.584 5.236 384 HE1 TRP 47 1HE TRP 47 -4.798 -5.840 5.556 385 HE3 TRP 47 3HE TRP 47 -5.795 -6.205 0.355 386 HZ2 TRP 47 2HZ TRP 47 -2.525 -5.173 3.952 387 HZ3 TRP 47 3HZ TRP 47 -3.485 -5.514 -0.221 388 HH2 TRP 47 HH TRP 47 -1.850 -4.999 1.570 389 H SER 48 H SER 48 -9.611 -8.864 3.658 390 HA SER 48 HA SER 48 -8.048 -10.229 5.593 391 1HB SER 48 2HB SER 48 -10.386 -9.366 5.826 392 2HB SER 48 1HB SER 48 -10.945 -10.687 4.805 393 HG SER 48 HG SER 48 -10.388 -12.125 6.357 394 H GLU 49 H GLU 49 -9.667 -11.446 2.678 395 HA GLU 49 HA GLU 49 -9.300 -14.252 3.154 396 1HB GLU 49 2HB GLU 49 -9.985 -12.409 0.951 397 2HB GLU 49 1HB GLU 49 -9.238 -13.914 0.417 398 1HG GLU 49 2HG GLU 49 -11.559 -13.824 2.359 399 2HG GLU 49 1HG GLU 49 -11.768 -13.987 0.615 400 H GLN 50 H GLN 50 -7.274 -11.818 1.520 401 HA GLN 50 HA GLN 50 -5.212 -13.539 0.555 402 1HB GLN 50 2HB GLN 50 -5.213 -10.663 1.520 403 2HB GLN 50 1HB GLN 50 -3.879 -11.401 0.632 404 1HG GLN 50 2HG GLN 50 -6.662 -11.556 -0.486 405 2HG GLN 50 1HG GLN 50 -5.728 -10.074 -0.683 406 1HE2 GLN 50 1HE2 GLN 50 -4.596 -10.059 -2.623 407 2HE2 GLN 50 2HE2 GLN 50 -3.937 -11.426 -3.383 408 H SER 51 H SER 51 -3.091 -13.931 1.463 409 HA SER 51 HA SER 51 -3.124 -14.186 4.436 410 1HB SER 51 2HB SER 51 -1.246 -15.377 2.372 411 2HB SER 51 1HB SER 51 -1.467 -15.909 4.036 412 HG SER 51 HG SER 51 -3.414 -16.728 3.524 413 H ALA 52 H ALA 52 -0.181 -14.392 4.521 414 HA ALA 52 HA ALA 52 0.440 -11.508 4.638 415 1HB ALA 52 1HB ALA 52 2.494 -12.390 5.755 416 2HB ALA 52 2HB ALA 52 1.961 -14.030 5.380 417 3HB ALA 52 3HB ALA 52 1.017 -13.025 6.479 418 H LYS 53 H LYS 53 0.093 -12.164 1.976 419 HA LYS 53 HA LYS 53 2.906 -12.209 0.931 420 1HB LYS 53 2HB LYS 53 0.419 -13.700 0.116 421 2HB LYS 53 1HB LYS 53 1.689 -13.387 -1.068 422 1HG LYS 53 2HG LYS 53 3.292 -14.341 0.755 423 2HG LYS 53 1HG LYS 53 1.824 -15.030 1.451 424 1HD LYS 53 2HD LYS 53 2.529 -15.393 -1.465 425 2HD LYS 53 1HD LYS 53 3.100 -16.505 -0.221 426 1HE LYS 53 2HE LYS 53 0.770 -16.961 0.462 427 2HE LYS 53 1HE LYS 53 0.187 -15.839 -0.783 428 1HZ LYS 53 1HZ LYS 53 1.894 -18.223 -1.275 429 2HZ LYS 53 2HZ LYS 53 1.329 -17.143 -2.459 430 3HZ LYS 53 3HZ LYS 53 0.235 -18.125 -1.608 431 H ASP 54 H ASP 54 -0.483 -11.412 0.068 432 HA ASP 54 HA ASP 54 0.232 -9.597 -2.062 433 1HB ASP 54 2HB ASP 54 -1.941 -10.884 -1.615 434 2HB ASP 54 1HB ASP 54 -2.322 -9.624 -0.442 435 H LYS 55 H LYS 55 0.183 -9.186 1.395 436 HA LYS 55 HA LYS 55 0.066 -6.220 1.064 437 1HB LYS 55 2HB LYS 55 -0.500 -6.208 3.449 438 2HB LYS 55 1HB LYS 55 -1.557 -7.321 2.586 439 1HG LYS 55 2HG LYS 55 -0.218 -9.228 3.332 440 2HG LYS 55 1HG LYS 55 0.931 -8.144 4.115 441 1HD LYS 55 2HD LYS 55 -0.549 -7.579 5.816 442 2HD LYS 55 1HD LYS 55 -1.970 -7.963 4.844 443 1HE LYS 55 2HE LYS 55 -1.202 -10.410 4.937 444 2HE LYS 55 1HE LYS 55 -0.077 -9.892 6.211 445 1HZ LYS 55 1HZ LYS 55 -3.017 -9.451 6.192 446 2HZ LYS 55 2HZ LYS 55 -1.948 -8.880 7.383 447 3HZ LYS 55 3HZ LYS 55 -2.186 -10.551 7.179 448 H GLN 56 H GLN 56 2.060 -8.825 2.458 449 HA GLN 56 HA GLN 56 4.013 -7.530 3.893 450 1HB GLN 56 2HB GLN 56 3.916 -9.846 2.035 451 2HB GLN 56 1HB GLN 56 5.525 -9.286 2.492 452 1HG GLN 56 2HG GLN 56 3.376 -9.752 4.560 453 2HG GLN 56 1HG GLN 56 4.421 -11.061 4.006 454 1HE2 GLN 56 1HE2 GLN 56 6.911 -10.273 3.970 455 2HE2 GLN 56 2HE2 GLN 56 7.409 -9.465 5.378 456 HA PRO 57 HA PRO 57 6.580 -6.202 0.091 457 1HB PRO 57 2HB PRO 57 5.508 -6.472 -2.409 458 2HB PRO 57 1HB PRO 57 6.465 -7.749 -1.630 459 1HG PRO 57 2HG PRO 57 3.517 -7.486 -1.891 460 2HG PRO 57 1HG PRO 57 4.532 -8.930 -2.020 461 1HD PRO 57 2HD PRO 57 3.073 -8.310 0.195 462 2HD PRO 57 1HD PRO 57 4.581 -9.251 0.249 463 H TYR 58 H TYR 58 3.076 -5.860 -0.275 464 HA TYR 58 HA TYR 58 3.174 -3.176 -1.402 465 1HB TYR 58 2HB TYR 58 1.319 -5.256 -1.022 466 2HB TYR 58 1HB TYR 58 0.704 -3.933 -0.037 467 HD1 TYR 58 1HD TYR 58 -0.605 -2.292 -1.066 468 HD2 TYR 58 2HD TYR 58 2.179 -4.551 -3.432 469 HE1 TYR 58 1HE TYR 58 -1.424 -1.159 -3.114 470 HE2 TYR 58 2HE TYR 58 1.360 -3.417 -5.479 471 HH TYR 58 HH TYR 58 -0.905 -2.252 -6.152 472 H GLU 59 H GLU 59 3.725 -4.357 1.748 473 HA GLU 59 HA GLU 59 2.535 -2.164 3.264 474 1HB GLU 59 2HB GLU 59 4.388 -4.481 3.757 475 2HB GLU 59 1HB GLU 59 4.219 -3.236 4.994 476 1HG GLU 59 2HG GLU 59 1.759 -4.443 3.764 477 2HG GLU 59 1HG GLU 59 2.618 -5.317 5.031 478 H GLN 60 H GLN 60 5.939 -3.115 2.662 479 HA GLN 60 HA GLN 60 7.282 -0.904 3.677 480 1HB GLN 60 2HB GLN 60 9.029 -1.499 1.983 481 2HB GLN 60 1HB GLN 60 8.366 -2.908 2.806 482 1HG GLN 60 2HG GLN 60 7.040 -3.512 0.930 483 2HG GLN 60 1HG GLN 60 7.261 -1.939 0.166 484 1HE2 GLN 60 1HE2 GLN 60 8.883 -1.852 -1.395 485 2HE2 GLN 60 2HE2 GLN 60 10.166 -2.955 -1.524 486 H LYS 61 H LYS 61 5.433 -1.040 0.672 487 HA LYS 61 HA LYS 61 6.459 1.281 -0.635 488 1HB LYS 61 2HB LYS 61 4.935 -0.423 -1.611 489 2HB LYS 61 1HB LYS 61 3.641 0.144 -0.556 490 1HG LYS 61 2HG LYS 61 3.575 2.281 -1.628 491 2HG LYS 61 1HG LYS 61 5.082 1.968 -2.493 492 1HD LYS 61 2HD LYS 61 3.894 0.013 -3.610 493 2HD LYS 61 1HD LYS 61 2.394 0.645 -2.927 494 1HE LYS 61 2HE LYS 61 3.020 2.887 -4.032 495 2HE LYS 61 1HE LYS 61 4.217 1.957 -4.956 496 1HZ LYS 61 1HZ LYS 61 2.458 0.425 -5.614 497 2HZ LYS 61 2HZ LYS 61 2.098 2.006 -6.119 498 3HZ LYS 61 3HZ LYS 61 1.314 1.345 -4.764 499 H ALA 62 H ALA 62 3.669 0.958 1.589 500 HA ALA 62 HA ALA 62 3.182 3.817 1.727 501 1HB ALA 62 1HB ALA 62 1.315 2.533 2.223 502 2HB ALA 62 2HB ALA 62 1.895 2.862 3.856 503 3HB ALA 62 3HB ALA 62 2.256 1.316 3.086 504 H ALA 63 H ALA 63 5.623 1.868 3.097 505 HA ALA 63 HA ALA 63 5.898 3.395 5.601 506 1HB ALA 63 1HB ALA 63 7.691 1.357 4.237 507 2HB ALA 63 2HB ALA 63 6.397 0.958 5.367 508 3HB ALA 63 3HB ALA 63 7.798 1.874 5.921 509 H LYS 64 H LYS 64 6.575 4.101 2.391 510 HA LYS 64 HA LYS 64 9.120 5.543 2.984 511 1HB LYS 64 2HB LYS 64 7.650 4.573 0.526 512 2HB LYS 64 1HB LYS 64 8.977 5.721 0.403 513 1HG LYS 64 2HG LYS 64 9.163 3.028 1.778 514 2HG LYS 64 1HG LYS 64 9.711 3.341 0.131 515 1HD LYS 64 2HD LYS 64 11.055 5.305 1.277 516 2HD LYS 64 1HD LYS 64 10.861 4.314 2.724 517 1HE LYS 64 2HE LYS 64 11.907 2.401 1.596 518 2HE LYS 64 1HE LYS 64 12.048 3.343 0.097 519 1HZ LYS 64 1HZ LYS 64 13.218 4.107 2.721 520 2HZ LYS 64 2HZ LYS 64 13.363 4.980 1.272 521 3HZ LYS 64 3HZ LYS 64 14.090 3.452 1.422 522 H LEU 65 H LEU 65 5.766 5.916 2.046 523 HA LEU 65 HA LEU 65 6.019 8.814 1.519 524 1HB LEU 65 2HB LEU 65 3.934 6.664 1.328 525 2HB LEU 65 1HB LEU 65 3.405 8.346 1.384 526 HG LEU 65 HG LEU 65 5.219 8.712 -0.463 527 1HD1 LEU 65 1HD1 LEU 65 4.834 5.720 -0.413 528 2HD1 LEU 65 2HD1 LEU 65 6.339 6.635 -0.513 529 3HD1 LEU 65 3HD1 LEU 65 5.263 6.553 -1.908 530 1HD2 LEU 65 1HD2 LEU 65 2.700 8.824 -0.704 531 2HD2 LEU 65 2HD2 LEU 65 2.732 7.120 -1.157 532 3HD2 LEU 65 3HD2 LEU 65 3.548 8.315 -2.164 533 H LYS 66 H LYS 66 5.579 6.781 4.246 534 HA LYS 66 HA LYS 66 3.831 8.577 5.766 535 1HB LYS 66 2HB LYS 66 3.885 6.112 6.061 536 2HB LYS 66 1HB LYS 66 5.578 6.213 6.545 537 1HG LYS 66 2HG LYS 66 4.680 6.305 8.645 538 2HG LYS 66 1HG LYS 66 4.507 8.016 8.256 539 1HD LYS 66 2HD LYS 66 2.230 7.852 7.904 540 2HD LYS 66 1HD LYS 66 2.325 6.166 7.392 541 1HE LYS 66 2HE LYS 66 3.072 6.765 10.224 542 2HE LYS 66 1HE LYS 66 1.350 6.822 9.800 543 1HZ LYS 66 1HZ LYS 66 1.604 4.657 8.717 544 2HZ LYS 66 2HZ LYS 66 1.984 4.570 10.371 545 3HZ LYS 66 3HZ LYS 66 3.225 4.590 9.211 546 H GLU 67 H GLU 67 7.284 7.964 5.353 547 HA GLU 67 HA GLU 67 8.213 9.470 7.637 548 1HB GLU 67 2HB GLU 67 9.335 7.760 5.925 549 2HB GLU 67 1HB GLU 67 9.762 9.246 5.077 550 1HG GLU 67 2HG GLU 67 10.799 10.123 7.144 551 2HG GLU 67 1HG GLU 67 10.394 8.620 7.976 552 H LYS 68 H LYS 68 8.304 10.322 4.153 553 HA LYS 68 HA LYS 68 8.919 13.072 4.469 554 1HB LYS 68 2HB LYS 68 7.388 11.527 2.357 555 2HB LYS 68 1HB LYS 68 7.906 13.199 2.146 556 1HG LYS 68 2HG LYS 68 10.207 12.615 2.259 557 2HG LYS 68 1HG LYS 68 9.848 11.015 2.911 558 1HD LYS 68 2HD LYS 68 10.282 10.527 0.668 559 2HD LYS 68 1HD LYS 68 8.526 10.694 0.669 560 1HE LYS 68 2HE LYS 68 9.201 12.035 -1.168 561 2HE LYS 68 1HE LYS 68 9.015 13.218 0.143 562 1HZ LYS 68 1HZ LYS 68 11.547 11.828 -0.565 563 2HZ LYS 68 2HZ LYS 68 11.352 12.985 0.664 564 3HZ LYS 68 3HZ LYS 68 11.175 13.434 -0.965 565 H TYR 69 H TYR 69 5.877 11.383 4.884 566 HA TYR 69 HA TYR 69 4.156 13.719 4.621 567 1HB TYR 69 2HB TYR 69 3.408 11.391 4.291 568 2HB TYR 69 1HB TYR 69 3.798 11.016 5.968 569 HD1 TYR 69 1HD TYR 69 2.569 12.281 7.817 570 HD2 TYR 69 2HD TYR 69 1.324 12.353 3.707 571 HE1 TYR 69 1HE TYR 69 0.321 13.059 8.513 572 HE2 TYR 69 2HE TYR 69 -0.925 13.132 4.403 573 HH TYR 69 HH TYR 69 -2.225 12.807 7.110 574 H GLU 70 H GLU 70 5.040 11.765 7.472 575 HA GLU 70 HA GLU 70 4.198 13.855 9.338 576 1HB GLU 70 2HB GLU 70 5.370 11.098 9.444 577 2HB GLU 70 1HB GLU 70 5.372 12.081 10.909 578 1HG GLU 70 2HG GLU 70 2.855 12.512 10.287 579 2HG GLU 70 1HG GLU 70 3.037 11.037 9.335 580 H LYS 71 H LYS 71 7.214 13.091 7.764 581 HA LYS 71 HA LYS 71 8.793 14.533 9.836 582 1HB LYS 71 2HB LYS 71 9.295 12.272 8.555 583 2HB LYS 71 1HB LYS 71 9.931 13.366 7.326 584 1HG LYS 71 2HG LYS 71 11.401 14.415 8.993 585 2HG LYS 71 1HG LYS 71 10.750 13.358 10.246 586 1HD LYS 71 2HD LYS 71 11.870 12.104 7.768 587 2HD LYS 71 1HD LYS 71 12.994 12.726 8.977 588 1HE LYS 71 2HE LYS 71 10.701 10.943 9.804 589 2HE LYS 71 1HE LYS 71 12.229 10.252 9.220 590 1HZ LYS 71 1HZ LYS 71 12.309 10.607 11.614 591 2HZ LYS 71 2HZ LYS 71 11.950 12.253 11.402 592 3HZ LYS 71 3HZ LYS 71 13.417 11.620 10.825 593 H ASP 72 H ASP 72 7.553 15.027 6.579 594 HA ASP 72 HA ASP 72 9.301 17.425 6.241 595 1HB ASP 72 2HB ASP 72 8.763 15.442 4.547 596 2HB ASP 72 1HB ASP 72 7.368 16.455 4.177 597 H ILE 73 H ILE 73 5.885 16.505 6.560 598 HA ILE 73 HA ILE 73 4.641 18.918 5.767 599 HB ILE 73 HB ILE 73 3.582 16.715 6.363 600 1HG1 ILE 73 2HG1 ILE 73 1.644 17.864 7.685 601 2HG1 ILE 73 1HG1 ILE 73 2.599 19.332 7.473 602 1HG2 ILE 73 1HG2 ILE 73 3.745 17.685 9.224 603 2HG2 ILE 73 2HG2 ILE 73 4.891 16.525 8.552 604 3HG2 ILE 73 3HG2 ILE 73 3.177 16.120 8.639 605 1HD1 ILE 73 1HD1 ILE 73 0.865 18.842 5.650 606 2HD1 ILE 73 2HD1 ILE 73 1.914 17.513 5.158 607 3HD1 ILE 73 3HD1 ILE 73 2.506 19.172 5.097 608 H ALA 74 H ALA 74 6.261 18.120 8.813 609 HA ALA 74 HA ALA 74 5.401 20.353 10.389 610 1HB ALA 74 1HB ALA 74 7.974 18.751 10.310 611 2HB ALA 74 2HB ALA 74 6.567 18.440 11.326 612 3HB ALA 74 3HB ALA 74 7.556 19.873 11.605 613 H ALA 75 H ALA 75 8.417 19.933 8.493 614 HA ALA 75 HA ALA 75 9.281 22.674 8.696 615 1HB ALA 75 1HB ALA 75 10.818 20.912 8.062 616 2HB ALA 75 2HB ALA 75 10.649 21.961 6.655 617 3HB ALA 75 3HB ALA 75 9.786 20.424 6.718 618 H TYR 76 H TYR 76 7.277 20.868 6.416 619 HA TYR 76 HA TYR 76 6.840 23.068 4.568 620 1HB TYR 76 2HB TYR 76 6.618 20.399 4.434 621 2HB TYR 76 1HB TYR 76 4.956 20.751 4.909 622 HD1 TYR 76 1HD TYR 76 3.515 20.783 3.080 623 HD2 TYR 76 2HD TYR 76 7.470 22.404 2.650 624 HE1 TYR 76 1HE TYR 76 2.994 21.438 0.746 625 HE2 TYR 76 2HE TYR 76 6.948 23.058 0.316 626 HH TYR 76 HH TYR 76 5.036 21.999 -1.504 627 H ARG 77 H ARG 77 3.897 22.675 4.517 628 HA ARG 77 HA ARG 77 1.925 23.525 5.417 629 1HB ARG 77 2HB ARG 77 3.442 22.400 7.576 630 2HB ARG 77 1HB ARG 77 2.708 23.893 8.158 631 1HG ARG 77 2HG ARG 77 0.524 23.045 7.120 632 2HG ARG 77 1HG ARG 77 1.329 21.483 6.963 633 1HD ARG 77 2HD ARG 77 1.495 21.190 9.293 634 2HD ARG 77 1HD ARG 77 1.305 22.925 9.616 635 HE ARG 77 HE ARG 77 -1.058 22.722 9.161 636 1HH1 ARG 77 1HH1 ARG 77 -0.655 20.566 7.005 637 2HH1 ARG 77 2HH1 ARG 77 -1.442 19.216 7.752 638 1HH2 ARG 77 1HH2 ARG 77 -1.485 20.650 10.909 639 2HH2 ARG 77 2HH2 ARG 77 -1.912 19.264 9.962 640 H ALA 78 H ALA 78 4.564 24.984 7.274 641 HA ALA 78 HA ALA 78 5.181 27.243 7.612 642 1HB ALA 78 1HB ALA 78 5.169 28.569 5.660 643 2HB ALA 78 2HB ALA 78 3.656 27.870 5.086 644 3HB ALA 78 3HB ALA 78 5.144 26.927 5.018 645 H LYS 79 H LYS 79 2.935 26.435 9.021 646 HA LYS 79 HA LYS 79 0.919 28.613 8.683 647 1HB LYS 79 2HB LYS 79 0.976 25.818 9.584 648 2HB LYS 79 1HB LYS 79 0.042 26.867 10.649 649 1HG LYS 79 2HG LYS 79 -1.224 27.701 8.681 650 2HG LYS 79 1HG LYS 79 -0.324 26.589 7.651 651 1HD LYS 79 2HD LYS 79 -1.245 24.674 8.762 652 2HD LYS 79 1HD LYS 79 -1.932 25.672 10.045 653 1HE LYS 79 2HE LYS 79 -2.741 26.146 7.178 654 2HE LYS 79 1HE LYS 79 -3.527 24.874 8.137 655 1HZ LYS 79 1HZ LYS 79 -4.634 27.047 8.382 656 2HZ LYS 79 2HZ LYS 79 -3.195 27.697 9.011 657 3HZ LYS 79 3HZ LYS 79 -4.015 26.470 9.853
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