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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 | in_recoord | stage | position | program | type |
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5160 |
1ghu ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 58 1H GLY 58 -12.144 -3.808 8.842 2 2H GLY 58 2H GLY 58 -12.715 -2.326 8.456 3 1HA GLY 58 1HA GLY 58 -10.416 -2.215 9.207 4 2HA GLY 58 2HA GLY 58 -9.975 -3.327 7.918 5 H SER 59 H SER 59 -10.534 -0.078 8.710 6 HA SER 59 HA SER 59 -10.909 0.979 5.927 7 1HB SER 59 1HB SER 59 -10.392 2.476 8.570 8 2HB SER 59 2HB SER 59 -10.714 3.242 7.011 9 HG SER 59 HG SER 59 -12.404 1.390 8.334 10 H TRP 60 H TRP 60 -9.269 0.851 4.591 11 HA TRP 60 HA TRP 60 -6.461 0.708 5.449 12 1HB TRP 60 1HB TRP 60 -5.814 0.438 3.113 13 2HB TRP 60 2HB TRP 60 -6.935 -0.731 3.735 14 HD1 TRP 60 HD1 TRP 60 -9.281 -0.993 2.615 15 HE1 TRP 60 HE1 TRP 60 -10.398 -0.234 0.323 16 HE3 TRP 60 HE3 TRP 60 -5.911 2.662 1.549 17 HZ2 TRP 60 HZ2 TRP 60 -9.705 1.783 -1.608 18 HZ3 TRP 60 HZ3 TRP 60 -6.242 4.054 -0.465 19 HH2 TRP 60 HH2 TRP 60 -8.118 3.641 -1.993 20 H PHE 61 H PHE 61 -8.248 3.438 3.961 21 HA PHE 61 HA PHE 61 -5.701 4.833 3.289 22 1HB PHE 61 1HB PHE 61 -7.790 5.072 1.903 23 2HB PHE 61 2HB PHE 61 -8.547 5.981 3.185 24 HD1 PHE 61 HD1 PHE 61 -5.376 5.947 1.062 25 HD2 PHE 61 HD2 PHE 61 -8.233 8.385 3.169 26 HE1 PHE 61 HE1 PHE 61 -4.256 7.980 0.256 27 HE2 PHE 61 HE2 PHE 61 -7.117 10.405 2.320 28 HZ PHE 61 HZ PHE 61 -5.128 10.210 0.869 29 H PHE 62 H PHE 62 -4.579 6.043 4.564 30 HA PHE 62 HA PHE 62 -5.720 7.484 6.999 31 1HB PHE 62 1HB PHE 62 -3.131 5.857 6.990 32 2HB PHE 62 2HB PHE 62 -3.415 7.173 8.092 33 HD1 PHE 62 HD2 PHE 62 -4.794 3.813 7.086 34 HD2 PHE 62 HD1 PHE 62 -4.729 6.877 10.103 35 HE1 PHE 62 HE2 PHE 62 -5.865 2.284 8.666 36 HE2 PHE 62 HE1 PHE 62 -5.839 5.338 11.669 37 HZ PHE 62 HZ PHE 62 -6.407 3.037 10.960 38 H GLY 63 H GLY 63 -5.746 9.341 6.057 39 1HA GLY 63 1HA GLY 63 -4.751 10.487 3.880 40 2HA GLY 63 2HA GLY 63 -4.952 11.497 5.282 41 H LYS 64 H LYS 64 -2.925 11.503 6.784 42 HA LYS 64 HA LYS 64 -0.283 11.253 5.330 43 1HB LYS 64 1HB LYS 64 -1.282 13.453 4.567 44 2HB LYS 64 2HB LYS 64 -1.340 14.017 6.230 45 1HG LYS 64 1HG LYS 64 1.179 13.882 6.359 46 2HG LYS 64 2HG LYS 64 1.237 13.233 4.717 47 1HD LYS 64 1HD LYS 64 0.119 15.366 3.869 48 2HD LYS 64 2HD LYS 64 0.142 16.012 5.512 49 1HE LYS 64 1HE LYS 64 2.680 15.872 5.533 50 2HE LYS 64 2HE LYS 64 2.654 15.197 3.899 51 1HZ LYS 64 2HZ LYS 64 1.612 17.255 3.116 52 2HZ LYS 64 3HZ LYS 64 1.633 17.893 4.640 53 3HZ LYS 64 1HZ LYS 64 3.053 17.573 3.859 54 H ILE 65 H ILE 65 0.243 9.789 6.934 55 HA ILE 65 HA ILE 65 0.760 10.978 9.687 56 HB ILE 65 HB ILE 65 0.125 9.267 10.967 57 1HG1 ILE 65 1HG1 ILE 65 1.178 7.321 10.174 58 2HG1 ILE 65 2HG1 ILE 65 -0.489 6.972 10.535 59 1HG2 ILE 65 2HG2 ILE 65 -1.886 10.383 10.117 60 2HG2 ILE 65 3HG2 ILE 65 -2.102 9.116 8.887 61 3HG2 ILE 65 1HG2 ILE 65 -2.218 8.712 10.617 62 1HD1 ILE 65 1HD1 ILE 65 -1.010 6.975 8.021 63 2HD1 ILE 65 2HD1 ILE 65 0.733 7.239 7.719 64 3HD1 ILE 65 3HD1 ILE 65 0.183 5.759 8.530 65 HA PRO 66 HA PRO 66 5.079 9.984 9.208 66 1HB PRO 66 1HB PRO 66 4.960 8.475 11.886 67 2HB PRO 66 2HB PRO 66 6.163 9.657 11.330 68 1HG PRO 66 1HG PRO 66 4.208 10.445 13.015 69 2HG PRO 66 2HG PRO 66 4.629 11.493 11.633 70 1HD PRO 66 1HD PRO 66 2.242 9.590 11.898 71 2HD PRO 66 2HD PRO 66 2.303 11.243 11.212 72 H ARG 67 H ARG 67 6.678 8.438 8.843 73 HA ARG 67 HA ARG 67 5.861 5.797 7.802 74 1HB ARG 67 1HB ARG 67 7.846 7.320 7.034 75 2HB ARG 67 2HB ARG 67 8.753 6.690 8.392 76 1HG ARG 67 1HG ARG 67 8.406 4.323 7.481 77 2HG ARG 67 2HG ARG 67 7.473 5.012 6.148 78 1HD ARG 67 1HD ARG 67 9.503 6.321 5.386 79 2HD ARG 67 2HD ARG 67 10.450 5.599 6.704 80 HE ARG 67 HE ARG 67 9.237 3.415 5.200 81 1HH1 ARG 67 2HH2 ARG 67 11.722 5.911 4.712 82 2HH1 ARG 67 1HH2 ARG 67 12.597 4.826 3.519 83 1HH2 ARG 67 1HH1 ARG 67 10.315 2.266 3.827 84 2HH2 ARG 67 2HH1 ARG 67 11.853 2.903 3.053 85 H ALA 68 H ALA 68 7.310 6.835 10.831 86 HA ALA 68 HA ALA 68 7.924 4.101 11.898 87 1HB ALA 68 2HB ALA 68 9.253 6.036 12.709 88 2HB ALA 68 3HB ALA 68 7.794 6.791 13.402 89 3HB ALA 68 1HB ALA 68 8.405 5.252 14.055 90 H LYS 69 H LYS 69 5.266 6.475 12.466 91 HA LYS 69 HA LYS 69 3.669 4.733 14.222 92 1HB LYS 69 1HB LYS 69 2.716 7.013 12.389 93 2HB LYS 69 2HB LYS 69 1.707 6.216 13.577 94 1HG LYS 69 1HG LYS 69 4.226 7.858 14.240 95 2HG LYS 69 2HG LYS 69 2.569 8.432 14.314 96 1HD LYS 69 1HD LYS 69 2.027 6.717 16.093 97 2HD LYS 69 2HD LYS 69 3.694 6.135 16.040 98 1HE LYS 69 1HE LYS 69 4.529 8.435 16.731 99 2HE LYS 69 2HE LYS 69 2.858 9.016 16.803 100 1HZ LYS 69 3HZ LYS 69 3.972 6.798 18.456 101 2HZ LYS 69 1HZ LYS 69 3.656 8.333 18.979 102 3HZ LYS 69 2HZ LYS 69 2.414 7.343 18.526 103 H ALA 70 H ALA 70 3.780 4.959 10.686 104 HA ALA 70 HA ALA 70 1.527 3.107 10.143 105 1HB ALA 70 2HB ALA 70 2.371 4.636 8.384 106 2HB ALA 70 3HB ALA 70 3.959 3.835 8.377 107 3HB ALA 70 1HB ALA 70 2.512 2.954 7.834 108 H GLU 71 H GLU 71 5.070 2.574 10.405 109 HA GLU 71 HA GLU 71 5.055 -0.341 10.077 110 1HB GLU 71 1HB GLU 71 7.062 1.501 11.510 111 2HB GLU 71 2HB GLU 71 7.327 -0.220 11.276 112 1HG GLU 71 1HG GLU 71 7.332 0.000 8.815 113 2HG GLU 71 2HG GLU 71 6.870 1.688 8.905 114 H GLU 72 H GLU 72 4.846 1.632 13.079 115 HA GLU 72 HA GLU 72 4.762 -0.554 14.986 116 1HB GLU 72 1HB GLU 72 3.582 2.282 15.130 117 2HB GLU 72 2HB GLU 72 3.514 1.166 16.482 118 1HG GLU 72 1HG GLU 72 5.949 1.055 16.701 119 2HG GLU 72 2HG GLU 72 6.206 1.950 15.212 120 H MET 73 H MET 73 1.962 1.141 13.448 121 HA MET 73 HA MET 73 -0.092 -0.520 14.736 122 1HB MET 73 1HB MET 73 -0.125 1.399 12.332 123 2HB MET 73 2HB MET 73 -1.520 0.407 12.676 124 1HG MET 73 1HG MET 73 -1.877 2.553 13.704 125 2HG MET 73 2HG MET 73 -1.739 1.350 14.985 126 1HE MET 73 2HE MET 73 0.534 1.114 16.566 127 2HE MET 73 1HE MET 73 1.088 2.707 17.153 128 3HE MET 73 3HE MET 73 -0.658 2.319 17.143 129 H LEU 74 H LEU 74 1.378 -0.833 11.475 130 HA LEU 74 HA LEU 74 -0.240 -3.188 10.731 131 1HB LEU 74 1HB LEU 74 2.214 -1.824 9.525 132 2HB LEU 74 2HB LEU 74 1.704 -3.372 8.913 133 HG LEU 74 HG LEU 74 -0.411 -2.627 8.143 134 1HD1 LEU 74 3HD2 LEU 74 -1.211 -1.054 9.892 135 2HD1 LEU 74 1HD2 LEU 74 -0.005 0.160 9.392 136 3HD1 LEU 74 2HD2 LEU 74 -1.319 -0.331 8.287 137 1HD2 LEU 74 1HD1 LEU 74 1.783 -0.556 7.457 138 2HD2 LEU 74 2HD1 LEU 74 1.496 -2.123 6.650 139 3HD2 LEU 74 3HD1 LEU 74 0.307 -0.815 6.513 140 H SER 75 H SER 75 3.094 -2.998 12.080 141 HA SER 75 HA SER 75 3.607 -5.889 12.101 142 1HB SER 75 1HB SER 75 4.710 -3.708 13.976 143 2HB SER 75 2HB SER 75 5.289 -5.375 13.918 144 HG SER 75 HG SER 75 5.239 -3.557 11.746 145 H LYS 76 H LYS 76 1.795 -3.876 14.412 146 HA LYS 76 HA LYS 76 1.329 -5.990 16.439 147 1HB LYS 76 1HB LYS 76 -0.240 -3.422 15.804 148 2HB LYS 76 2HB LYS 76 -0.636 -4.486 17.140 149 1HG LYS 76 1HG LYS 76 1.481 -4.074 18.286 150 2HG LYS 76 2HG LYS 76 2.155 -3.225 16.904 151 1HD LYS 76 1HD LYS 76 0.288 -1.472 17.126 152 2HD LYS 76 2HD LYS 76 -0.220 -2.244 18.620 153 1HE LYS 76 1HE LYS 76 2.593 -1.038 18.090 154 2HE LYS 76 2HE LYS 76 1.273 -0.195 18.895 155 1HZ LYS 76 2HZ LYS 76 1.311 -1.880 20.654 156 2HZ LYS 76 3HZ LYS 76 2.551 -2.683 19.915 157 3HZ LYS 76 1HZ LYS 76 2.787 -1.156 20.500 158 H GLN 77 H GLN 77 -0.596 -4.949 13.584 159 HA GLN 77 HA GLN 77 -2.880 -6.429 13.887 160 1HB GLN 77 1HB GLN 77 -1.482 -5.134 11.605 161 2HB GLN 77 2HB GLN 77 -2.195 -6.600 11.031 162 1HG GLN 77 1HG GLN 77 -3.802 -4.913 10.687 163 2HG GLN 77 2HG GLN 77 -4.424 -5.920 11.978 164 1HE2 GLN 77 2HE2 GLN 77 -3.592 -1.971 12.774 165 2HE2 GLN 77 1HE2 GLN 77 -3.172 -2.752 11.166 166 H ARG 78 H ARG 78 -3.618 -8.245 13.646 167 HA ARG 78 HA ARG 78 -2.076 -10.751 13.575 168 1HB ARG 78 1HB ARG 78 -4.122 -11.937 13.890 169 2HB ARG 78 2HB ARG 78 -4.159 -10.498 14.878 170 1HG ARG 78 1HG ARG 78 -5.668 -9.393 13.065 171 2HG ARG 78 2HG ARG 78 -5.674 -10.947 12.229 172 1HD ARG 78 1HD ARG 78 -6.616 -12.001 14.409 173 2HD ARG 78 2HD ARG 78 -6.792 -10.343 15.038 174 HE ARG 78 HE ARG 78 -8.113 -10.420 12.463 175 1HH1 ARG 78 2HH2 ARG 78 -8.552 -11.888 15.672 176 2HH1 ARG 78 1HH2 ARG 78 -10.353 -12.056 15.362 177 1HH2 ARG 78 1HH1 ARG 78 -10.170 -10.660 12.218 178 2HH2 ARG 78 2HH1 ARG 78 -11.205 -11.407 13.537 179 H HIS 79 H HIS 79 -3.633 -9.099 10.896 180 HA HIS 79 HA HIS 79 -3.868 -11.477 9.202 181 1HB HIS 79 1HB HIS 79 -4.159 -8.505 8.412 182 2HB HIS 79 2HB HIS 79 -4.665 -9.870 7.449 183 HD2 HIS 79 HD2 HIS 79 -6.612 -11.541 8.688 184 HE1 HIS 79 HE1 HIS 79 -7.981 -8.730 11.367 185 HE2 HIS 79 HE2 HIS 79 -8.596 -10.975 10.342 186 H ASP 80 H ASP 80 -2.698 -12.170 7.575 187 HA ASP 80 HA ASP 80 0.043 -11.088 6.957 188 1HB ASP 80 1HB ASP 80 0.386 -12.985 5.491 189 2HB ASP 80 2HB ASP 80 -0.091 -13.489 7.089 190 H GLY 81 H GLY 81 0.392 -9.661 5.424 191 1HA GLY 81 1HA GLY 81 0.035 -8.468 3.263 192 2HA GLY 81 2HA GLY 81 -1.565 -9.132 3.138 193 H ALA 82 H ALA 82 -0.871 -7.780 6.291 194 HA ALA 82 HA ALA 82 -3.151 -6.007 6.041 195 1HB ALA 82 2HB ALA 82 -2.508 -7.069 8.215 196 2HB ALA 82 3HB ALA 82 -1.037 -6.078 8.305 197 3HB ALA 82 1HB ALA 82 -2.642 -5.318 8.405 198 H PHE 83 H PHE 83 -3.270 -3.998 5.236 199 HA PHE 83 HA PHE 83 -0.728 -2.295 5.096 200 1HB PHE 83 1HB PHE 83 -0.901 -1.983 2.811 201 2HB PHE 83 2HB PHE 83 -1.182 -3.645 3.044 202 HD1 PHE 83 HD2 PHE 83 -3.523 -4.615 2.716 203 HD2 PHE 83 HD1 PHE 83 -2.713 -0.479 1.905 204 HE1 PHE 83 HE2 PHE 83 -5.778 -4.355 1.757 205 HE2 PHE 83 HE1 PHE 83 -4.923 -0.251 0.873 206 HZ PHE 83 HZ PHE 83 -6.489 -2.166 0.858 207 H LEU 84 H LEU 84 -0.850 -0.179 4.533 208 HA LEU 84 HA LEU 84 -3.419 1.272 4.467 209 1HB LEU 84 1HB LEU 84 -3.009 3.021 6.062 210 2HB LEU 84 2HB LEU 84 -3.087 1.461 6.830 211 HG LEU 84 HG LEU 84 -0.458 1.559 6.958 212 1HD1 LEU 84 3HD1 LEU 84 -1.025 4.543 6.335 213 2HD1 LEU 84 1HD1 LEU 84 0.468 3.943 7.089 214 3HD1 LEU 84 2HD1 LEU 84 0.081 3.471 5.449 215 1HD2 LEU 84 3HD2 LEU 84 -2.041 1.882 8.928 216 2HD2 LEU 84 1HD2 LEU 84 -0.568 2.855 9.075 217 3HD2 LEU 84 2HD2 LEU 84 -2.096 3.625 8.585 218 H ILE 85 H ILE 85 -3.373 2.959 3.060 219 HA ILE 85 HA ILE 85 -0.721 3.626 1.697 220 HB ILE 85 HB ILE 85 -3.642 4.100 0.928 221 1HG1 ILE 85 1HG1 ILE 85 -1.341 2.697 -0.597 222 2HG1 ILE 85 2HG1 ILE 85 -2.334 1.841 0.566 223 1HG2 ILE 85 2HG2 ILE 85 -1.186 5.263 -0.548 224 2HG2 ILE 85 3HG2 ILE 85 -2.858 5.231 -1.167 225 3HG2 ILE 85 1HG2 ILE 85 -2.473 6.195 0.253 226 1HD1 ILE 85 3HD1 ILE 85 -3.486 3.156 -1.950 227 2HD1 ILE 85 1HD1 ILE 85 -3.140 1.424 -1.699 228 3HD1 ILE 85 2HD1 ILE 85 -4.382 2.222 -0.714 229 H ARG 86 H ARG 86 0.372 5.104 2.674 230 HA ARG 86 HA ARG 86 -0.887 7.515 4.072 231 1HB ARG 86 1HB ARG 86 1.251 7.826 5.232 232 2HB ARG 86 2HB ARG 86 0.546 6.265 5.563 233 1HG ARG 86 1HG ARG 86 2.155 5.113 4.102 234 2HG ARG 86 2HG ARG 86 2.825 6.612 3.502 235 1HD ARG 86 1HD ARG 86 2.930 5.850 6.488 236 2HD ARG 86 2HD ARG 86 4.140 5.305 5.350 237 HE ARG 86 HE ARG 86 3.807 8.100 6.402 238 1HH1 ARG 86 2HH2 ARG 86 5.421 6.125 3.922 239 2HH1 ARG 86 1HH2 ARG 86 6.717 7.409 3.730 240 1HH2 ARG 86 1HH1 ARG 86 5.327 9.483 6.101 241 2HH2 ARG 86 2HH1 ARG 86 6.665 9.181 4.881 242 H GLU 87 H GLU 87 -0.176 9.582 3.647 243 HA GLU 87 HA GLU 87 1.269 10.069 1.013 244 1HB GLU 87 1HB GLU 87 -0.862 11.343 1.550 245 2HB GLU 87 2HB GLU 87 -0.003 12.189 2.830 246 1HG GLU 87 1HG GLU 87 1.634 13.098 1.097 247 2HG GLU 87 2HG GLU 87 0.806 12.189 -0.165 248 H SER 88 H SER 88 3.269 10.861 0.950 249 HA SER 88 HA SER 88 5.126 10.520 3.153 250 1HB SER 88 1HB SER 88 5.538 11.965 0.460 251 2HB SER 88 2HB SER 88 6.834 11.588 1.599 252 HG SER 88 HG SER 88 6.227 9.393 1.460 253 H GLU 89 H GLU 89 6.105 11.905 4.508 254 HA GLU 89 HA GLU 89 4.530 14.202 5.364 255 1HB GLU 89 1HB GLU 89 7.167 13.203 6.554 256 2HB GLU 89 2HB GLU 89 6.080 14.376 7.273 257 1HG GLU 89 1HG GLU 89 5.526 11.382 6.835 258 2HG GLU 89 2HG GLU 89 5.837 12.187 8.356 259 H SER 90 H SER 90 4.717 15.764 4.237 260 HA SER 90 HA SER 90 5.541 18.111 3.984 261 1HB SER 90 1HB SER 90 8.361 17.117 3.355 262 2HB SER 90 2HB SER 90 7.786 18.782 3.295 263 HG SER 90 HG SER 90 7.238 18.607 5.502 264 H ALA 91 H ALA 91 5.961 15.335 1.834 265 HA ALA 91 HA ALA 91 5.938 17.115 -0.609 266 1HB ALA 91 2HB ALA 91 7.504 15.217 -0.554 267 2HB ALA 91 3HB ALA 91 6.158 14.063 -0.386 268 3HB ALA 91 1HB ALA 91 6.328 15.038 -1.865 269 HA PRO 92 HA PRO 92 1.336 16.261 -0.544 270 1HB PRO 92 1HB PRO 92 0.448 18.384 -2.074 271 2HB PRO 92 2HB PRO 92 1.045 18.571 -0.418 272 1HG PRO 92 1HG PRO 92 2.598 19.040 -3.017 273 2HG PRO 92 2HG PRO 92 2.483 20.118 -1.605 274 1HD PRO 92 1HD PRO 92 4.620 18.372 -1.986 275 2HD PRO 92 2HD PRO 92 4.034 18.811 -0.354 276 H GLY 93 H GLY 93 0.192 14.943 -1.755 277 1HA GLY 93 1HA GLY 93 -0.471 13.506 -3.550 278 2HA GLY 93 2HA GLY 93 0.216 14.630 -4.702 279 H ASP 94 H ASP 94 2.166 13.157 -2.121 280 HA ASP 94 HA ASP 94 3.522 11.266 -4.154 281 1HB ASP 94 1HB ASP 94 4.709 12.970 -1.861 282 2HB ASP 94 2HB ASP 94 5.587 11.661 -2.610 283 H PHE 95 H PHE 95 2.284 9.480 -3.659 284 HA PHE 95 HA PHE 95 1.764 8.782 -0.768 285 1HB PHE 95 1HB PHE 95 0.561 7.704 -3.392 286 2HB PHE 95 2HB PHE 95 0.213 7.015 -1.842 287 HD1 PHE 95 HD1 PHE 95 -1.013 8.343 -0.058 288 HD2 PHE 95 HD2 PHE 95 -0.431 9.913 -4.024 289 HE1 PHE 95 HE1 PHE 95 -2.738 10.044 0.350 290 HE2 PHE 95 HE2 PHE 95 -2.178 11.592 -3.604 291 HZ PHE 95 HZ PHE 95 -3.333 11.666 -1.418 292 H SER 96 H SER 96 1.836 6.587 -0.082 293 HA SER 96 HA SER 96 3.968 4.779 -1.253 294 1HB SER 96 1HB SER 96 4.217 5.912 1.620 295 2HB SER 96 2HB SER 96 5.137 4.542 0.988 296 HG SER 96 HG SER 96 5.931 5.914 -0.648 297 H LEU 97 H LEU 97 3.037 2.887 -1.256 298 HA LEU 97 HA LEU 97 0.757 2.033 0.538 299 1HB LEU 97 1HB LEU 97 0.738 1.367 -1.806 300 2HB LEU 97 2HB LEU 97 2.333 0.639 -1.692 301 HG LEU 97 HG LEU 97 1.328 -1.003 0.047 302 1HD1 LEU 97 2HD1 LEU 97 -0.781 0.144 0.599 303 2HD1 LEU 97 3HD1 LEU 97 -1.359 -0.035 -1.082 304 3HD1 LEU 97 1HD1 LEU 97 -1.103 -1.469 -0.058 305 1HD2 LEU 97 3HD2 LEU 97 1.926 -1.671 -2.294 306 2HD2 LEU 97 1HD2 LEU 97 0.510 -2.550 -1.696 307 3HD2 LEU 97 2HD2 LEU 97 0.294 -1.208 -2.850 308 H SER 98 H SER 98 1.416 1.786 2.489 309 HA SER 98 HA SER 98 3.956 0.373 3.432 310 1HB SER 98 1HB SER 98 1.701 1.292 5.257 311 2HB SER 98 2HB SER 98 3.394 1.024 5.653 312 HG SER 98 HG SER 98 2.349 3.047 3.969 313 H VAL 99 H VAL 99 3.732 -1.856 3.094 314 HA VAL 99 HA VAL 99 1.120 -3.242 3.918 315 HB VAL 99 HB VAL 99 0.896 -2.987 1.560 316 1HG1 VAL 99 3HG2 VAL 99 3.247 -2.792 0.750 317 2HG1 VAL 99 1HG2 VAL 99 3.519 -4.525 1.059 318 3HG1 VAL 99 2HG2 VAL 99 2.342 -4.007 -0.172 319 1HG2 VAL 99 1HG1 VAL 99 0.118 -5.185 2.666 320 2HG2 VAL 99 2HG1 VAL 99 0.408 -5.310 0.919 321 3HG2 VAL 99 3HG1 VAL 99 1.588 -5.932 2.104 322 H LYS 100 H LYS 100 1.450 -4.808 5.190 323 HA LYS 100 HA LYS 100 4.159 -5.844 5.972 324 1HB LYS 100 1HB LYS 100 2.362 -5.460 7.651 325 2HB LYS 100 2HB LYS 100 1.386 -6.736 6.936 326 1HG LYS 100 1HG LYS 100 3.195 -8.426 7.498 327 2HG LYS 100 2HG LYS 100 4.194 -7.137 8.173 328 1HD LYS 100 1HD LYS 100 2.456 -6.644 9.890 329 2HD LYS 100 2HD LYS 100 1.368 -7.856 9.199 330 1HE LYS 100 1HE LYS 100 3.098 -9.664 9.736 331 2HE LYS 100 2HE LYS 100 4.135 -8.426 10.466 332 1HZ LYS 100 1HZ LYS 100 1.383 -9.097 11.386 333 2HZ LYS 100 2HZ LYS 100 2.788 -9.555 12.124 334 3HZ LYS 100 3HZ LYS 100 2.367 -7.959 12.069 335 H PHE 101 H PHE 101 5.169 -7.281 4.745 336 HA PHE 101 HA PHE 101 3.629 -9.595 3.417 337 1HB PHE 101 1HB PHE 101 6.060 -8.088 2.303 338 2HB PHE 101 2HB PHE 101 5.558 -9.657 1.732 339 HD1 PHE 101 HD1 PHE 101 2.323 -8.658 1.943 340 HD2 PHE 101 HD2 PHE 101 5.933 -7.439 -0.084 341 HE1 PHE 101 HE1 PHE 101 1.004 -7.810 0.079 342 HE2 PHE 101 HE2 PHE 101 4.574 -6.588 -1.936 343 HZ PHE 101 HZ PHE 101 2.100 -6.768 -1.850 344 H GLY 102 H GLY 102 3.932 -11.167 4.754 345 1HA GLY 102 1HA GLY 102 5.150 -12.970 5.839 346 2HA GLY 102 2HA GLY 102 6.680 -12.161 5.558 347 H ASN 103 H ASN 103 7.368 -10.647 7.043 348 HA ASN 103 HA ASN 103 5.625 -9.916 9.406 349 1HB ASN 103 1HB ASN 103 7.279 -11.820 10.022 350 2HB ASN 103 2HB ASN 103 8.584 -10.687 9.759 351 1HD2 ASN 103 1HD2 ASN 103 6.319 -10.397 13.210 352 2HD2 ASN 103 2HD2 ASN 103 5.748 -11.388 11.775 353 H ASP 104 H ASP 104 7.855 -8.826 7.102 354 HA ASP 104 HA ASP 104 8.551 -6.274 8.623 355 1HB ASP 104 1HB ASP 104 9.568 -7.183 5.860 356 2HB ASP 104 2HB ASP 104 10.011 -5.688 6.663 357 H VAL 105 H VAL 105 7.868 -4.334 8.042 358 HA VAL 105 HA VAL 105 5.430 -4.110 6.236 359 HB VAL 105 HB VAL 105 6.522 -2.033 8.193 360 1HG1 VAL 105 2HG1 VAL 105 5.200 -0.986 6.309 361 2HG1 VAL 105 3HG1 VAL 105 3.852 -2.090 6.622 362 3HG1 VAL 105 1HG1 VAL 105 4.314 -0.868 7.837 363 1HG2 VAL 105 2HG2 VAL 105 4.095 -3.928 8.511 364 2HG2 VAL 105 3HG2 VAL 105 5.601 -3.997 9.451 365 3HG2 VAL 105 1HG2 VAL 105 4.528 -2.605 9.623 366 H GLN 106 H GLN 106 5.891 -3.786 4.241 367 HA GLN 106 HA GLN 106 8.497 -2.487 3.337 368 1HB GLN 106 1HB GLN 106 6.604 -4.510 1.994 369 2HB GLN 106 2HB GLN 106 7.907 -3.707 1.128 370 1HG GLN 106 1HG GLN 106 9.632 -4.621 2.585 371 2HG GLN 106 2HG GLN 106 8.446 -5.266 3.711 372 1HE2 GLN 106 2HE2 GLN 106 8.866 -8.381 1.978 373 2HE2 GLN 106 1HE2 GLN 106 9.014 -7.410 3.529 374 H HIS 107 H HIS 107 8.395 -0.535 2.623 375 HA HIS 107 HA HIS 107 5.798 0.796 1.881 376 1HB HIS 107 1HB HIS 107 8.592 1.780 2.717 377 2HB HIS 107 2HB HIS 107 7.405 2.847 2.059 378 HD2 HIS 107 HD2 HIS 107 7.361 0.160 4.964 379 HE1 HIS 107 HE1 HIS 107 5.087 3.344 6.244 380 HE2 HIS 107 HE2 HIS 107 6.026 1.119 7.025 381 H PHE 108 H PHE 108 5.400 0.239 -0.191 382 HA PHE 108 HA PHE 108 7.482 0.509 -2.388 383 1HB PHE 108 1HB PHE 108 4.559 -0.392 -2.595 384 2HB PHE 108 2HB PHE 108 5.682 -0.344 -3.919 385 HD1 PHE 108 HD1 PHE 108 4.815 -2.164 -0.796 386 HD2 PHE 108 HD2 PHE 108 7.459 -2.071 -4.186 387 HE1 PHE 108 HE1 PHE 108 5.538 -4.467 -0.307 388 HE2 PHE 108 HE2 PHE 108 8.157 -4.381 -3.692 389 HZ PHE 108 HZ PHE 108 7.199 -5.582 -1.755 390 H LYS 109 H LYS 109 7.589 2.257 -3.564 391 HA LYS 109 HA LYS 109 6.048 4.647 -2.761 392 1HB LYS 109 1HB LYS 109 7.508 6.011 -4.106 393 2HB LYS 109 2HB LYS 109 8.392 4.916 -3.069 394 1HG LYS 109 1HG LYS 109 8.874 3.418 -5.081 395 2HG LYS 109 2HG LYS 109 8.019 4.565 -6.114 396 1HD LYS 109 1HD LYS 109 9.645 6.386 -5.449 397 2HD LYS 109 2HD LYS 109 10.516 5.233 -4.431 398 1HE LYS 109 1HE LYS 109 11.035 3.807 -6.462 399 2HE LYS 109 2HE LYS 109 10.133 4.928 -7.492 400 1HZ LYS 109 2HZ LYS 109 11.710 6.683 -6.863 401 2HZ LYS 109 3HZ LYS 109 12.555 5.635 -5.906 402 3HZ LYS 109 1HZ LYS 109 12.499 5.399 -7.540 403 H VAL 110 H VAL 110 4.258 5.328 -3.526 404 HA VAL 110 HA VAL 110 3.145 4.450 -6.223 405 HB VAL 110 HB VAL 110 1.757 5.891 -3.902 406 1HG1 VAL 110 1HG2 VAL 110 0.543 4.744 -6.497 407 2HG1 VAL 110 2HG2 VAL 110 -0.391 5.377 -5.114 408 3HG1 VAL 110 3HG2 VAL 110 0.641 6.461 -6.055 409 1HG2 VAL 110 2HG1 VAL 110 2.283 3.496 -3.298 410 2HG2 VAL 110 3HG1 VAL 110 0.544 3.782 -3.447 411 3HG2 VAL 110 1HG1 VAL 110 1.417 2.942 -4.748 412 H LEU 111 H LEU 111 4.322 5.676 -7.596 413 HA LEU 111 HA LEU 111 4.563 8.658 -7.400 414 1HB LEU 111 1HB LEU 111 5.219 6.744 -9.726 415 2HB LEU 111 2HB LEU 111 5.711 8.423 -9.638 416 HG LEU 111 HG LEU 111 6.644 6.202 -7.723 417 1HD1 LEU 111 3HD2 LEU 111 7.495 5.846 -10.038 418 2HD1 LEU 111 1HD2 LEU 111 8.135 7.506 -10.095 419 3HD1 LEU 111 2HD2 LEU 111 8.821 6.317 -8.960 420 1HD2 LEU 111 1HD1 LEU 111 7.663 9.118 -7.969 421 2HD2 LEU 111 2HD1 LEU 111 6.779 8.426 -6.585 422 3HD2 LEU 111 3HD1 LEU 111 8.407 7.845 -6.969 423 H ARG 112 H ARG 112 3.675 10.153 -8.948 424 HA ARG 112 HA ARG 112 1.019 9.230 -10.185 425 1HB ARG 112 1HB ARG 112 1.715 12.012 -9.060 426 2HB ARG 112 2HB ARG 112 0.230 11.585 -9.894 427 1HG ARG 112 1HG ARG 112 -0.218 9.799 -8.072 428 2HG ARG 112 2HG ARG 112 1.189 10.407 -7.225 429 1HD ARG 112 1HD ARG 112 -0.645 11.448 -6.172 430 2HD ARG 112 2HD ARG 112 0.101 12.729 -7.135 431 HE ARG 112 HE ARG 112 -1.980 11.639 -8.802 432 1HH1 ARG 112 2HH2 ARG 112 -1.815 13.258 -5.638 433 2HH1 ARG 112 1HH2 ARG 112 -3.515 13.910 -5.867 434 1HH2 ARG 112 1HH1 ARG 112 -3.908 12.436 -8.953 435 2HH2 ARG 112 2HH1 ARG 112 -4.616 13.475 -7.616 436 H ASP 113 H ASP 113 0.735 9.436 -12.266 437 HA ASP 113 HA ASP 113 2.664 11.127 -13.948 438 1HB ASP 113 1HB ASP 113 2.248 9.760 -15.864 439 2HB ASP 113 2HB ASP 113 2.920 8.845 -14.549 440 H GLY 114 H GLY 114 1.689 13.067 -13.802 441 1HA GLY 114 1HA GLY 114 0.461 14.750 -14.979 442 2HA GLY 114 2HA GLY 114 -0.522 13.535 -15.756 443 H ALA 115 H ALA 115 -2.575 13.374 -15.046 444 HA ALA 115 HA ALA 115 -3.513 15.371 -13.009 445 1HB ALA 115 2HB ALA 115 -4.489 15.412 -15.266 446 2HB ALA 115 3HB ALA 115 -5.110 13.753 -15.078 447 3HB ALA 115 1HB ALA 115 -5.739 15.064 -14.054 448 H GLY 116 H GLY 116 -5.372 12.394 -13.457 449 1HA GLY 116 1HA GLY 116 -5.065 11.766 -10.443 450 2HA GLY 116 2HA GLY 116 -6.535 11.514 -11.362 451 H LYS 117 H LYS 117 -3.157 10.566 -11.197 452 HA LYS 117 HA LYS 117 -3.824 7.710 -12.066 453 1HB LYS 117 1HB LYS 117 -1.456 9.325 -13.208 454 2HB LYS 117 2HB LYS 117 -1.800 7.642 -13.540 455 1HG LYS 117 1HG LYS 117 -3.575 10.002 -14.413 456 2HG LYS 117 2HG LYS 117 -2.369 9.203 -15.403 457 1HD LYS 117 1HD LYS 117 -3.616 7.040 -15.293 458 2HD LYS 117 2HD LYS 117 -4.845 7.764 -14.259 459 1HE LYS 117 1HE LYS 117 -5.464 9.401 -16.071 460 2HE LYS 117 2HE LYS 117 -4.189 8.758 -17.118 461 1HZ LYS 117 1HZ LYS 117 -6.513 7.190 -16.102 462 2HZ LYS 117 2HZ LYS 117 -6.337 7.779 -17.635 463 3HZ LYS 117 3HZ LYS 117 -5.323 6.598 -17.083 464 H TYR 118 H TYR 118 -2.467 6.167 -11.237 465 HA TYR 118 HA TYR 118 -0.411 6.960 -9.105 466 1HB TYR 118 1HB TYR 118 -2.860 5.159 -8.525 467 2HB TYR 118 2HB TYR 118 -1.549 5.471 -7.435 468 HD1 TYR 118 HD1 TYR 118 -1.188 7.899 -6.528 469 HD2 TYR 118 HD2 TYR 118 -4.739 6.699 -8.637 470 HE1 TYR 118 HE1 TYR 118 -2.407 9.812 -5.590 471 HE2 TYR 118 HE2 TYR 118 -5.936 8.630 -7.710 472 HH TYR 118 HH TYR 118 -5.827 10.402 -6.379 473 H PHE 119 H PHE 119 1.308 5.843 -9.781 474 HA PHE 119 HA PHE 119 1.022 2.921 -10.651 475 1HB PHE 119 1HB PHE 119 2.456 3.094 -12.447 476 2HB PHE 119 2HB PHE 119 1.325 4.389 -12.636 477 HD1 PHE 119 HD2 PHE 119 2.121 6.841 -12.001 478 HD2 PHE 119 HD1 PHE 119 4.831 3.539 -12.527 479 HE1 PHE 119 HE2 PHE 119 3.977 8.409 -12.367 480 HE2 PHE 119 HE1 PHE 119 6.674 5.127 -12.891 481 HZ PHE 119 HZ PHE 119 6.252 7.561 -12.821 482 H LEU 120 H LEU 120 1.978 1.678 -9.293 483 HA LEU 120 HA LEU 120 4.621 2.474 -7.974 484 1HB LEU 120 1HB LEU 120 4.263 1.192 -6.106 485 2HB LEU 120 2HB LEU 120 2.801 2.104 -6.329 486 HG LEU 120 HG LEU 120 3.183 -0.906 -6.883 487 1HD1 LEU 120 3HD2 LEU 120 3.187 -0.303 -4.463 488 2HD1 LEU 120 1HD2 LEU 120 1.609 0.500 -4.635 489 3HD1 LEU 120 2HD2 LEU 120 1.758 -1.258 -4.891 490 1HD2 LEU 120 3HD1 LEU 120 0.581 0.733 -7.140 491 2HD2 LEU 120 1HD1 LEU 120 1.414 -0.137 -8.442 492 3HD2 LEU 120 2HD1 LEU 120 0.661 -1.043 -7.127 493 H TRP 121 H TRP 121 2.970 -0.203 -9.595 494 HA TRP 121 HA TRP 121 5.423 -1.943 -9.556 495 1HB TRP 121 1HB TRP 121 3.267 -2.801 -8.812 496 2HB TRP 121 2HB TRP 121 2.466 -2.338 -10.291 497 HD1 TRP 121 HD1 TRP 121 5.387 -4.818 -9.241 498 HE1 TRP 121 HE1 TRP 121 5.051 -7.137 -10.452 499 HE3 TRP 121 HE3 TRP 121 1.312 -3.446 -12.001 500 HZ2 TRP 121 HZ2 TRP 121 3.106 -8.106 -12.326 501 HZ3 TRP 121 HZ3 TRP 121 0.218 -5.131 -13.428 502 HH2 TRP 121 HH2 TRP 121 1.089 -7.428 -13.578 503 H VAL 122 H VAL 122 3.111 -1.370 -12.256 504 HA VAL 122 HA VAL 122 5.257 -0.243 -13.972 505 HB VAL 122 HB VAL 122 5.710 -2.622 -14.247 506 1HG1 VAL 122 2HG1 VAL 122 3.471 -3.685 -14.096 507 2HG1 VAL 122 3HG1 VAL 122 3.067 -3.073 -15.716 508 3HG1 VAL 122 1HG1 VAL 122 4.401 -4.224 -15.501 509 1HG2 VAL 122 3HG2 VAL 122 6.316 -1.009 -16.052 510 2HG2 VAL 122 1HG2 VAL 122 5.985 -2.625 -16.706 511 3HG2 VAL 122 2HG2 VAL 122 4.770 -1.333 -16.874 512 H VAL 123 H VAL 123 2.064 -1.730 -14.575 513 HA VAL 123 HA VAL 123 1.174 0.532 -16.188 514 HB VAL 123 HB VAL 123 -1.042 -0.624 -16.188 515 1HG1 VAL 123 3HG2 VAL 123 0.634 -1.068 -17.955 516 2HG1 VAL 123 1HG2 VAL 123 1.283 -2.435 -17.019 517 3HG1 VAL 123 2HG2 VAL 123 -0.382 -2.489 -17.643 518 1HG2 VAL 123 2HG1 VAL 123 -1.077 -1.805 -13.996 519 2HG2 VAL 123 3HG1 VAL 123 -1.383 -2.915 -15.343 520 3HG2 VAL 123 1HG1 VAL 123 0.212 -2.898 -14.551 521 H LYS 124 H LYS 124 -0.240 2.120 -15.827 522 HA LYS 124 HA LYS 124 -0.464 3.106 -13.042 523 1HB LYS 124 1HB LYS 124 -1.010 5.210 -13.853 524 2HB LYS 124 2HB LYS 124 0.212 4.604 -14.928 525 1HG LYS 124 1HG LYS 124 -2.809 4.840 -15.522 526 2HG LYS 124 2HG LYS 124 -1.548 5.945 -16.047 527 1HD LYS 124 1HD LYS 124 -0.499 4.066 -17.416 528 2HD LYS 124 2HD LYS 124 -1.844 3.016 -16.947 529 1HE LYS 124 1HE LYS 124 -3.492 4.623 -18.018 530 2HE LYS 124 2HE LYS 124 -2.154 5.677 -18.499 531 1HZ LYS 124 2HZ LYS 124 -2.508 2.851 -19.381 532 2HZ LYS 124 3HZ LYS 124 -2.804 4.196 -20.293 533 3HZ LYS 124 1HZ LYS 124 -1.260 3.835 -19.830 534 H PHE 125 H PHE 125 -2.281 3.942 -12.066 535 HA PHE 125 HA PHE 125 -4.904 2.409 -12.560 536 1HB PHE 125 1HB PHE 125 -3.584 2.728 -9.792 537 2HB PHE 125 2HB PHE 125 -5.076 1.908 -10.146 538 HD1 PHE 125 HD1 PHE 125 -4.838 -0.133 -11.984 539 HD2 PHE 125 HD2 PHE 125 -1.625 1.382 -9.550 540 HE1 PHE 125 HE1 PHE 125 -3.555 -2.198 -12.363 541 HE2 PHE 125 HE2 PHE 125 -0.378 -0.702 -9.917 542 HZ PHE 125 HZ PHE 125 -1.325 -2.484 -11.331 543 H ASN 126 H ASN 126 -6.426 3.904 -12.796 544 HA ASN 126 HA ASN 126 -6.057 6.687 -12.462 545 1HB ASN 126 1HB ASN 126 -7.740 5.540 -13.967 546 2HB ASN 126 2HB ASN 126 -8.779 5.271 -12.586 547 1HD2 ASN 126 1HD2 ASN 126 -8.711 8.996 -14.332 548 2HD2 ASN 126 2HD2 ASN 126 -7.527 7.678 -14.810 549 H SER 127 H SER 127 -7.970 4.682 -10.178 550 HA SER 127 HA SER 127 -7.782 6.935 -8.091 551 1HB SER 127 1HB SER 127 -9.729 4.533 -8.242 552 2HB SER 127 2HB SER 127 -9.660 5.703 -6.925 553 HG SER 127 HG SER 127 -10.070 7.351 -8.446 554 H LEU 128 H LEU 128 -7.377 6.291 -5.917 555 HA LEU 128 HA LEU 128 -5.271 4.216 -5.507 556 1HB LEU 128 1HB LEU 128 -6.814 5.921 -3.476 557 2HB LEU 128 2HB LEU 128 -5.610 4.748 -2.995 558 HG LEU 128 HG LEU 128 -4.982 7.118 -4.842 559 1HD1 LEU 128 2HD1 LEU 128 -5.663 7.932 -2.589 560 2HD1 LEU 128 3HD1 LEU 128 -4.487 6.844 -1.814 561 3HD1 LEU 128 1HD1 LEU 128 -3.926 8.185 -2.845 562 1HD2 LEU 128 2HD2 LEU 128 -3.106 5.100 -3.428 563 2HD2 LEU 128 3HD2 LEU 128 -3.313 5.324 -5.178 564 3HD2 LEU 128 1HD2 LEU 128 -2.559 6.600 -4.213 565 H ASN 129 H ASN 129 -8.788 4.194 -5.109 566 HA ASN 129 HA ASN 129 -8.896 1.582 -3.711 567 1HB ASN 129 1HB ASN 129 -11.180 2.715 -5.390 568 2HB ASN 129 2HB ASN 129 -11.225 1.415 -4.208 569 1HD2 ASN 129 1HD2 ASN 129 -11.203 5.250 -2.695 570 2HD2 ASN 129 2HD2 ASN 129 -10.466 4.931 -4.343 571 H GLU 130 H GLU 130 -8.911 2.514 -7.208 572 HA GLU 130 HA GLU 130 -9.154 -0.185 -8.314 573 1HB GLU 130 1HB GLU 130 -9.620 1.863 -9.599 574 2HB GLU 130 2HB GLU 130 -7.994 2.470 -9.355 575 1HG GLU 130 1HG GLU 130 -8.234 1.721 -11.612 576 2HG GLU 130 2HG GLU 130 -7.032 0.734 -10.796 577 H LEU 131 H LEU 131 -6.286 1.729 -7.315 578 HA LEU 131 HA LEU 131 -4.207 -0.210 -8.007 579 1HB LEU 131 1HB LEU 131 -3.907 2.210 -7.477 580 2HB LEU 131 2HB LEU 131 -4.305 1.956 -5.799 581 HG LEU 131 HG LEU 131 -1.898 0.550 -7.101 582 1HD1 LEU 131 3HD1 LEU 131 -1.966 3.382 -5.859 583 2HD1 LEU 131 1HD1 LEU 131 -0.489 2.505 -6.307 584 3HD1 LEU 131 2HD1 LEU 131 -1.644 2.976 -7.563 585 1HD2 LEU 131 2HD2 LEU 131 -2.460 1.343 -4.155 586 2HD2 LEU 131 3HD2 LEU 131 -2.423 -0.313 -4.802 587 3HD2 LEU 131 1HD2 LEU 131 -0.939 0.636 -4.750 588 H VAL 132 H VAL 132 -6.080 0.174 -4.978 589 HA VAL 132 HA VAL 132 -4.935 -2.111 -3.549 590 HB VAL 132 HB VAL 132 -7.556 -0.556 -3.201 591 1HG1 VAL 132 2HG1 VAL 132 -6.641 -2.894 -1.417 592 2HG1 VAL 132 3HG1 VAL 132 -7.895 -1.695 -0.978 593 3HG1 VAL 132 1HG1 VAL 132 -8.151 -2.783 -2.341 594 1HG2 VAL 132 2HG2 VAL 132 -4.955 -0.709 -1.548 595 2HG2 VAL 132 3HG2 VAL 132 -5.484 0.653 -2.556 596 3HG2 VAL 132 1HG2 VAL 132 -6.398 0.232 -1.100 597 H ASP 133 H ASP 133 -8.115 -1.953 -5.230 598 HA ASP 133 HA ASP 133 -8.639 -4.752 -4.884 599 1HB ASP 133 1HB ASP 133 -9.870 -2.830 -6.961 600 2HB ASP 133 2HB ASP 133 -10.468 -4.451 -6.664 601 H TYR 134 H TYR 134 -6.809 -3.260 -7.529 602 HA TYR 134 HA TYR 134 -6.746 -5.614 -9.316 603 1HB TYR 134 1HB TYR 134 -6.185 -3.345 -10.140 604 2HB TYR 134 2HB TYR 134 -4.818 -3.228 -9.063 605 HD1 TYR 134 HD1 TYR 134 -6.114 -4.917 -12.143 606 HD2 TYR 134 HD2 TYR 134 -2.702 -4.448 -9.563 607 HE1 TYR 134 HE1 TYR 134 -4.687 -6.023 -13.809 608 HE2 TYR 134 HE2 TYR 134 -1.295 -5.563 -11.220 609 HH TYR 134 HH TYR 134 -2.643 -6.723 -14.318 610 H HIS 135 H HIS 135 -4.200 -4.392 -7.018 611 HA HIS 135 HA HIS 135 -2.874 -7.026 -7.066 612 1HB HIS 135 1HB HIS 135 -2.186 -4.512 -5.471 613 2HB HIS 135 2HB HIS 135 -1.340 -6.021 -5.224 614 HD2 HIS 135 HD2 HIS 135 -0.297 -3.137 -6.721 615 HE1 HIS 135 HE1 HIS 135 0.991 -5.924 -9.504 616 HE2 HIS 135 HE2 HIS 135 1.328 -3.481 -8.774 617 H ARG 136 H ARG 136 -5.540 -6.240 -5.297 618 HA ARG 136 HA ARG 136 -5.189 -8.004 -2.953 619 1HB ARG 136 1HB ARG 136 -6.926 -6.223 -3.266 620 2HB ARG 136 2HB ARG 136 -7.703 -7.159 -4.536 621 1HG ARG 136 1HG ARG 136 -8.364 -8.899 -2.917 622 2HG ARG 136 2HG ARG 136 -7.414 -8.169 -1.633 623 1HD ARG 136 1HD ARG 136 -9.773 -6.761 -3.060 624 2HD ARG 136 2HD ARG 136 -9.957 -7.677 -1.580 625 HE ARG 136 HE ARG 136 -8.783 -4.929 -1.853 626 1HH1 ARG 136 2HH2 ARG 136 -9.010 -7.731 0.326 627 2HH1 ARG 136 1HH2 ARG 136 -8.620 -6.658 1.763 628 1HH2 ARG 136 1HH1 ARG 136 -8.351 -3.812 -0.153 629 2HH2 ARG 136 2HH1 ARG 136 -8.273 -4.590 1.507 630 H SER 137 H SER 137 -5.774 -8.673 -6.362 631 HA SER 137 HA SER 137 -5.847 -11.653 -5.831 632 1HB SER 137 1HB SER 137 -7.089 -10.203 -8.249 633 2HB SER 137 2HB SER 137 -6.939 -11.955 -8.083 634 HG SER 137 HG SER 137 -8.164 -11.820 -6.169 635 H THR 138 H THR 138 -4.334 -9.051 -7.749 636 HA THR 138 HA THR 138 -2.420 -11.008 -9.069 637 HB THR 138 HB THR 138 -2.664 -7.938 -9.377 638 HG1 THR 138 HG1 THR 138 -3.545 -10.065 -11.024 639 1HG2 THR 138 2HG2 THR 138 -1.109 -9.965 -11.119 640 2HG2 THR 138 3HG2 THR 138 -1.417 -8.268 -11.549 641 3HG2 THR 138 1HG2 THR 138 -0.402 -8.644 -10.149 642 H SER 139 H SER 139 -0.158 -10.934 -8.706 643 HA SER 139 HA SER 139 0.615 -10.234 -5.915 644 1HB SER 139 1HB SER 139 1.375 -12.346 -7.000 645 2HB SER 139 2HB SER 139 2.386 -11.428 -8.125 646 HG SER 139 HG SER 139 3.594 -12.019 -6.372 647 H VAL 140 H VAL 140 1.829 -8.670 -5.201 648 HA VAL 140 HA VAL 140 2.807 -6.371 -6.879 649 HB VAL 140 HB VAL 140 3.223 -6.907 -3.889 650 1HG1 VAL 140 1HG2 VAL 140 4.985 -5.344 -4.708 651 2HG1 VAL 140 2HG2 VAL 140 3.752 -4.294 -5.449 652 3HG1 VAL 140 3HG2 VAL 140 3.838 -4.487 -3.677 653 1HG2 VAL 140 1HG1 VAL 140 0.803 -6.524 -4.345 654 2HG2 VAL 140 2HG1 VAL 140 1.500 -5.162 -3.458 655 3HG2 VAL 140 3HG1 VAL 140 1.187 -5.006 -5.199 656 H SER 141 H SER 141 4.343 -8.884 -4.761 657 HA SER 141 HA SER 141 7.112 -8.263 -5.872 658 1HB SER 141 1HB SER 141 6.234 -10.067 -3.519 659 2HB SER 141 2HB SER 141 7.898 -9.844 -4.050 660 HG SER 141 HG SER 141 7.321 -8.448 -2.376 661 H ARG 142 H ARG 142 7.611 -9.346 -7.664 662 HA ARG 142 HA ARG 142 6.026 -11.745 -8.517 663 1HB ARG 142 1HB ARG 142 8.122 -10.199 -10.115 664 2HB ARG 142 2HB ARG 142 7.055 -11.442 -10.731 665 1HG ARG 142 1HG ARG 142 6.231 -8.681 -9.676 666 2HG ARG 142 2HG ARG 142 6.252 -9.189 -11.345 667 1HD ARG 142 1HD ARG 142 4.351 -10.319 -9.173 668 2HD ARG 142 2HD ARG 142 3.957 -9.049 -10.316 669 HE ARG 142 HE ARG 142 4.861 -11.517 -11.718 670 1HH1 ARG 142 1HH2 ARG 142 0.908 -11.045 -11.230 671 2HH1 ARG 142 2HH2 ARG 142 2.020 -9.990 -10.222 672 1HH2 ARG 142 2HH1 ARG 142 1.692 -12.454 -12.595 673 2HH2 ARG 142 1HH1 ARG 142 3.502 -12.661 -12.810 674 H ASN 143 H ASN 143 6.777 -13.172 -7.015 675 HA ASN 143 HA ASN 143 8.682 -15.096 -8.125 676 1HB ASN 143 1HB ASN 143 10.373 -13.661 -6.889 677 2HB ASN 143 2HB ASN 143 9.515 -13.915 -5.390 678 1HD2 ASN 143 1HD2 ASN 143 11.995 -16.891 -6.787 679 2HD2 ASN 143 2HD2 ASN 143 11.557 -15.436 -7.816 680 H GLN 144 H GLN 144 7.593 -14.537 -4.757 681 HA GLN 144 HA GLN 144 5.567 -16.830 -4.983 682 1HB GLN 144 1HB GLN 144 6.685 -15.372 -2.499 683 2HB GLN 144 2HB GLN 144 5.364 -16.529 -2.452 684 1HG GLN 144 1HG GLN 144 6.842 -18.341 -3.361 685 2HG GLN 144 2HG GLN 144 8.194 -17.228 -3.469 686 1HE2 GLN 144 2HE2 GLN 144 8.936 -17.473 0.061 687 2HE2 GLN 144 1HE2 GLN 144 9.270 -16.623 -1.531 688 H GLN 145 H GLN 145 3.402 -16.397 -4.601 689 HA GLN 145 HA GLN 145 2.496 -13.681 -5.374 690 1HB GLN 145 1HB GLN 145 0.833 -16.180 -4.744 691 2HB GLN 145 2HB GLN 145 0.166 -14.634 -5.235 692 1HG GLN 145 1HG GLN 145 1.609 -14.734 -7.375 693 2HG GLN 145 2HG GLN 145 2.063 -16.367 -6.923 694 1HE2 GLN 145 2HE2 GLN 145 -1.599 -15.782 -8.635 695 2HE2 GLN 145 1HE2 GLN 145 -0.409 -14.419 -8.326 696 H ILE 146 H ILE 146 2.363 -12.089 -3.985 697 HA ILE 146 HA ILE 146 1.216 -12.556 -1.198 698 HB ILE 146 HB ILE 146 2.933 -10.138 -1.261 699 1HG1 ILE 146 1HG1 ILE 146 4.460 -11.402 -2.688 700 2HG1 ILE 146 2HG1 ILE 146 5.096 -10.837 -1.162 701 1HG2 ILE 146 2HG2 ILE 146 1.869 -11.019 0.793 702 2HG2 ILE 146 3HG2 ILE 146 2.779 -12.541 0.664 703 3HG2 ILE 146 1HG2 ILE 146 3.635 -11.019 0.982 704 1HD1 ILE 146 2HD1 ILE 146 4.312 -13.779 -1.688 705 2HD1 ILE 146 3HD1 ILE 146 5.957 -13.104 -1.750 706 3HD1 ILE 146 1HD1 ILE 146 5.077 -13.143 -0.207 707 H PHE 147 H PHE 147 -0.455 -11.398 -0.729 708 HA PHE 147 HA PHE 147 -1.418 -9.244 -2.705 709 1HB PHE 147 1HB PHE 147 -3.159 -11.257 -1.182 710 2HB PHE 147 2HB PHE 147 -3.707 -10.110 -2.371 711 HD1 PHE 147 HD2 PHE 147 -1.409 -10.706 -4.537 712 HD2 PHE 147 HD1 PHE 147 -4.107 -13.170 -2.257 713 HE1 PHE 147 HE2 PHE 147 -1.254 -12.471 -6.237 714 HE2 PHE 147 HE1 PHE 147 -3.974 -14.897 -4.002 715 HZ PHE 147 HZ PHE 147 -2.532 -14.565 -5.972 716 H LEU 148 H LEU 148 -3.201 -7.940 -1.951 717 HA LEU 148 HA LEU 148 -2.469 -6.521 0.622 718 1HB LEU 148 1HB LEU 148 -4.089 -5.801 -1.892 719 2HB LEU 148 2HB LEU 148 -4.339 -4.905 -0.432 720 HG LEU 148 HG LEU 148 -1.968 -4.224 -0.284 721 1HD1 LEU 148 3HD1 LEU 148 -1.577 -5.733 -2.952 722 2HD1 LEU 148 1HD1 LEU 148 -0.436 -4.532 -2.301 723 3HD1 LEU 148 2HD1 LEU 148 -0.728 -6.034 -1.417 724 1HD2 LEU 148 3HD2 LEU 148 -3.649 -2.795 -1.474 725 2HD2 LEU 148 1HD2 LEU 148 -2.039 -2.613 -2.193 726 3HD2 LEU 148 2HD2 LEU 148 -3.266 -3.605 -3.016 727 H ARG 149 H ARG 149 -3.491 -7.036 2.447 728 HA ARG 149 HA ARG 149 -6.426 -7.930 2.439 729 1HB ARG 149 1HB ARG 149 -4.025 -9.035 4.014 730 2HB ARG 149 2HB ARG 149 -5.577 -8.996 4.792 731 1HG ARG 149 1HG ARG 149 -5.298 -11.179 3.881 732 2HG ARG 149 2HG ARG 149 -6.649 -10.380 3.112 733 1HD ARG 149 1HD ARG 149 -5.521 -11.651 1.422 734 2HD ARG 149 2HD ARG 149 -5.273 -9.970 1.048 735 HE ARG 149 HE ARG 149 -2.894 -10.105 1.804 736 1HH1 ARG 149 2HH2 ARG 149 -4.494 -13.274 1.593 737 2HH1 ARG 149 1HH2 ARG 149 -2.858 -14.101 1.512 738 1HH2 ARG 149 1HH1 ARG 149 -1.102 -11.149 1.705 739 2HH2 ARG 149 2HH1 ARG 149 -1.071 -12.978 1.571 740 H ASP 150 H ASP 150 -7.686 -7.093 4.010 741 HA ASP 150 HA ASP 150 -7.004 -4.353 4.895 742 1HB ASP 150 1HB ASP 150 -9.521 -6.069 5.451 743 2HB ASP 150 2HB ASP 150 -9.351 -4.417 6.001 744 H ILE 151 H ILE 151 -7.034 -3.458 6.899 745 HA ILE 151 HA ILE 151 -5.529 -4.934 8.971 746 HB ILE 151 HB ILE 151 -5.529 -2.802 10.246 747 1HG1 ILE 151 1HG1 ILE 151 -6.951 -1.365 7.937 748 2HG1 ILE 151 2HG1 ILE 151 -7.831 -1.951 9.335 749 1HG2 ILE 151 3HG2 ILE 151 -3.717 -3.277 8.659 750 2HG2 ILE 151 1HG2 ILE 151 -4.619 -2.509 7.334 751 3HG2 ILE 151 2HG2 ILE 151 -4.035 -1.537 8.707 752 1HD1 ILE 151 2HD1 ILE 151 -6.421 -0.561 10.889 753 2HD1 ILE 151 3HD1 ILE 151 -5.532 0.093 9.489 754 3HD1 ILE 151 1HD1 ILE 151 -7.272 0.418 9.674 755 H GLU 152 H GLU 152 -5.985 -4.758 11.257 756 HA GLU 152 HA GLU 152 -8.803 -5.696 11.946 757 1HB GLU 152 1HB GLU 152 -6.862 -7.120 12.699 758 2HB GLU 152 2HB GLU 152 -6.225 -5.781 13.623 759 1HG GLU 152 1HG GLU 152 -7.275 -7.253 15.155 760 2HG GLU 152 2HG GLU 152 -8.260 -5.807 15.111 761 HXT GLU 152 HO OH 153 -6.392 -3.723 13.470 No H/Q in entry = 761 Start of MODEL 2 1 1H GLY 58 1H GLY 58 -13.212 0.261 9.391 2 2H GLY 58 2H GLY 58 -13.261 -1.312 9.834 3 1HA GLY 58 1HA GLY 58 -10.992 -0.599 9.830 4 2HA GLY 58 2HA GLY 58 -11.259 -1.829 8.600 5 H SER 59 H SER 59 -10.349 1.408 9.174 6 HA SER 59 HA SER 59 -10.632 2.385 6.357 7 1HB SER 59 1HB SER 59 -9.655 4.492 7.136 8 2HB SER 59 2HB SER 59 -10.997 3.984 8.154 9 HG SER 59 HG SER 59 -9.450 3.159 9.637 10 H TRP 60 H TRP 60 -9.279 1.855 4.838 11 HA TRP 60 HA TRP 60 -6.449 1.003 5.346 12 1HB TRP 60 1HB TRP 60 -6.181 0.588 2.970 13 2HB TRP 60 2HB TRP 60 -7.376 -0.373 3.778 14 HD1 TRP 60 HD1 TRP 60 -9.952 -0.130 3.064 15 HE1 TRP 60 HE1 TRP 60 -11.201 0.740 0.887 16 HE3 TRP 60 HE3 TRP 60 -6.048 2.551 1.229 17 HZ2 TRP 60 HZ2 TRP 60 -10.378 2.465 -1.290 18 HZ3 TRP 60 HZ3 TRP 60 -6.361 3.877 -0.818 19 HH2 TRP 60 HH2 TRP 60 -8.491 3.846 -2.047 20 H PHE 61 H PHE 61 -7.948 3.771 3.564 21 HA PHE 61 HA PHE 61 -5.274 5.138 3.382 22 1HB PHE 61 1HB PHE 61 -6.929 5.335 1.512 23 2HB PHE 61 2HB PHE 61 -8.064 6.153 2.556 24 HD1 PHE 61 HD1 PHE 61 -4.519 6.412 1.235 25 HD2 PHE 61 HD2 PHE 61 -7.916 8.584 2.728 26 HE1 PHE 61 HE1 PHE 61 -3.362 8.531 0.797 27 HE2 PHE 61 HE2 PHE 61 -6.754 10.701 2.262 28 HZ PHE 61 HZ PHE 61 -4.476 10.685 1.306 29 H PHE 62 H PHE 62 -4.618 6.823 4.568 30 HA PHE 62 HA PHE 62 -6.363 7.868 6.881 31 1HB PHE 62 1HB PHE 62 -3.385 7.247 7.058 32 2HB PHE 62 2HB PHE 62 -4.243 8.233 8.210 33 HD1 PHE 62 HD1 PHE 62 -3.932 4.771 6.883 34 HD2 PHE 62 HD2 PHE 62 -5.862 7.229 9.829 35 HE1 PHE 62 HE1 PHE 62 -4.711 2.749 8.069 36 HE2 PHE 62 HE2 PHE 62 -6.627 5.206 11.006 37 HZ PHE 62 HZ PHE 62 -6.057 2.966 10.128 38 H GLY 63 H GLY 63 -3.189 9.114 5.837 39 1HA GLY 63 1HA GLY 63 -3.499 10.961 3.913 40 2HA GLY 63 2HA GLY 63 -4.596 11.737 5.040 41 H LYS 64 H LYS 64 -1.311 11.071 4.315 42 HA LYS 64 HA LYS 64 0.677 12.074 4.898 43 1HB LYS 64 1HB LYS 64 -0.715 14.110 4.329 44 2HB LYS 64 2HB LYS 64 -0.970 14.374 6.039 45 1HG LYS 64 1HG LYS 64 0.750 15.855 5.308 46 2HG LYS 64 2HG LYS 64 1.530 14.685 6.358 47 1HD LYS 64 1HD LYS 64 2.483 13.481 4.405 48 2HD LYS 64 2HD LYS 64 1.576 14.457 3.265 49 1HE LYS 64 1HE LYS 64 3.743 15.581 5.177 50 2HE LYS 64 2HE LYS 64 4.052 15.055 3.527 51 1HZ LYS 64 1HZ LYS 64 2.513 16.747 2.716 52 2HZ LYS 64 2HZ LYS 64 2.203 17.264 4.254 53 3HZ LYS 64 3HZ LYS 64 3.718 17.430 3.616 54 H ILE 65 H ILE 65 0.927 10.240 6.266 55 HA ILE 65 HA ILE 65 1.650 11.116 9.095 56 HB ILE 65 HB ILE 65 1.191 8.941 10.028 57 1HG1 ILE 65 1HG1 ILE 65 -0.185 8.045 7.437 58 2HG1 ILE 65 2HG1 ILE 65 1.438 7.550 7.898 59 1HG2 ILE 65 2HG2 ILE 65 -0.547 10.753 10.111 60 2HG2 ILE 65 3HG2 ILE 65 -1.347 10.044 8.688 61 3HG2 ILE 65 1HG2 ILE 65 -1.251 9.129 10.211 62 1HD1 ILE 65 1HD1 ILE 65 0.574 6.507 10.024 63 2HD1 ILE 65 2HD1 ILE 65 -1.094 6.914 9.528 64 3HD1 ILE 65 3HD1 ILE 65 -0.125 5.788 8.555 65 HA PRO 66 HA PRO 66 5.767 9.788 7.855 66 1HB PRO 66 1HB PRO 66 7.076 9.474 10.273 67 2HB PRO 66 2HB PRO 66 6.479 11.030 9.681 68 1HG PRO 66 1HG PRO 66 5.108 9.139 11.659 69 2HG PRO 66 2HG PRO 66 5.397 10.886 11.850 70 1HD PRO 66 1HD PRO 66 2.978 9.881 10.944 71 2HD PRO 66 2HD PRO 66 3.604 11.446 10.346 72 H ARG 67 H ARG 67 7.462 8.135 8.146 73 HA ARG 67 HA ARG 67 6.402 5.488 7.527 74 1HB ARG 67 1HB ARG 67 8.543 6.672 6.645 75 2HB ARG 67 2HB ARG 67 9.359 6.157 8.102 76 1HG ARG 67 1HG ARG 67 8.925 3.747 7.509 77 2HG ARG 67 2HG ARG 67 7.945 4.257 6.133 78 1HD ARG 67 1HD ARG 67 9.939 5.355 5.066 79 2HD ARG 67 2HD ARG 67 10.960 4.841 6.424 80 HE ARG 67 HE ARG 67 9.789 2.409 5.533 81 1HH1 ARG 67 2HH2 ARG 67 11.737 4.924 3.942 82 2HH1 ARG 67 1HH2 ARG 67 12.457 3.669 2.814 83 1HH2 ARG 67 1HH1 ARG 67 10.674 1.071 4.198 84 2HH2 ARG 67 2HH1 ARG 67 11.894 1.637 2.951 85 H ALA 68 H ALA 68 7.965 6.664 10.461 86 HA ALA 68 HA ALA 68 8.261 4.012 11.785 87 1HB ALA 68 2HB ALA 68 9.764 5.891 12.406 88 2HB ALA 68 3HB ALA 68 8.387 6.825 13.046 89 3HB ALA 68 1HB ALA 68 8.879 5.302 13.825 90 H LYS 69 H LYS 69 5.795 6.620 12.116 91 HA LYS 69 HA LYS 69 4.099 5.133 14.045 92 1HB LYS 69 1HB LYS 69 3.324 7.411 12.124 93 2HB LYS 69 2HB LYS 69 2.254 6.715 13.331 94 1HG LYS 69 1HG LYS 69 3.856 7.386 15.176 95 2HG LYS 69 2HG LYS 69 4.896 8.152 13.973 96 1HD LYS 69 1HD LYS 69 2.937 9.652 13.291 97 2HD LYS 69 2HD LYS 69 1.968 8.924 14.574 98 1HE LYS 69 1HE LYS 69 3.656 9.742 16.300 99 2HE LYS 69 2HE LYS 69 4.625 10.464 15.006 100 1HZ LYS 69 2HZ LYS 69 2.720 11.885 14.451 101 2HZ LYS 69 3HZ LYS 69 1.815 11.213 15.658 102 3HZ LYS 69 1HZ LYS 69 3.164 12.091 16.029 103 H ALA 70 H ALA 70 4.249 5.139 10.509 104 HA ALA 70 HA ALA 70 1.807 3.493 10.054 105 1HB ALA 70 2HB ALA 70 2.729 4.879 8.227 106 2HB ALA 70 3HB ALA 70 4.262 3.970 8.237 107 3HB ALA 70 1HB ALA 70 2.754 3.170 7.742 108 H GLU 71 H GLU 71 5.283 2.670 10.303 109 HA GLU 71 HA GLU 71 4.975 -0.252 10.137 110 1HB GLU 71 1HB GLU 71 7.203 1.485 11.362 111 2HB GLU 71 2HB GLU 71 7.293 -0.267 11.269 112 1HG GLU 71 1HG GLU 71 7.181 -0.241 8.789 113 2HG GLU 71 2HG GLU 71 6.950 1.498 8.766 114 H GLU 72 H GLU 72 4.924 1.940 12.987 115 HA GLU 72 HA GLU 72 4.771 -0.117 15.030 116 1HB GLU 72 1HB GLU 72 5.338 2.308 15.401 117 2HB GLU 72 2HB GLU 72 3.662 2.752 15.106 118 1HG GLU 72 1HG GLU 72 2.982 1.340 17.139 119 2HG GLU 72 2HG GLU 72 4.676 0.936 17.401 120 H MET 73 H MET 73 1.982 1.696 13.471 121 HA MET 73 HA MET 73 -0.143 0.215 14.666 122 1HB MET 73 1HB MET 73 -0.183 2.432 13.404 123 2HB MET 73 2HB MET 73 0.058 1.575 11.895 124 1HG MET 73 1HG MET 73 -2.301 2.237 12.309 125 2HG MET 73 2HG MET 73 -2.122 0.485 12.093 126 1HE MET 73 2HE MET 73 -2.548 3.426 14.730 127 2HE MET 73 1HE MET 73 -2.880 2.542 16.253 128 3HE MET 73 3HE MET 73 -1.233 2.540 15.564 129 H LEU 74 H LEU 74 1.548 -0.485 11.570 130 HA LEU 74 HA LEU 74 -0.014 -2.944 11.018 131 1HB LEU 74 1HB LEU 74 2.378 -1.562 9.720 132 2HB LEU 74 2HB LEU 74 2.125 -3.242 9.365 133 HG LEU 74 HG LEU 74 -0.113 -2.914 8.493 134 1HD1 LEU 74 3HD1 LEU 74 0.174 0.095 9.104 135 2HD1 LEU 74 1HD1 LEU 74 -1.102 -0.633 8.087 136 3HD1 LEU 74 2HD1 LEU 74 -1.023 -1.017 9.812 137 1HD2 LEU 74 3HD2 LEU 74 1.852 -2.641 6.964 138 2HD2 LEU 74 1HD2 LEU 74 0.487 -1.627 6.466 139 3HD2 LEU 74 2HD2 LEU 74 1.885 -0.888 7.282 140 H SER 75 H SER 75 2.914 -2.517 12.944 141 HA SER 75 HA SER 75 3.751 -5.321 13.011 142 1HB SER 75 1HB SER 75 4.029 -3.159 15.185 143 2HB SER 75 2HB SER 75 4.762 -4.764 15.277 144 HG SER 75 HG SER 75 5.163 -2.879 13.201 145 H LYS 76 H LYS 76 1.169 -3.649 14.764 146 HA LYS 76 HA LYS 76 0.293 -5.823 16.540 147 1HB LYS 76 1HB LYS 76 -1.421 -3.611 15.249 148 2HB LYS 76 2HB LYS 76 -1.896 -4.609 16.609 149 1HG LYS 76 1HG LYS 76 -0.141 -3.592 18.060 150 2HG LYS 76 2HG LYS 76 0.485 -2.657 16.703 151 1HD LYS 76 1HD LYS 76 -1.796 -1.499 16.477 152 2HD LYS 76 2HD LYS 76 -2.331 -2.375 17.903 153 1HE LYS 76 1HE LYS 76 -1.709 -0.188 18.666 154 2HE LYS 76 2HE LYS 76 -0.452 -1.270 19.260 155 1HZ LYS 76 1HZ LYS 76 -0.238 0.472 16.843 156 2HZ LYS 76 2HZ LYS 76 0.475 0.752 18.307 157 3HZ LYS 76 3HZ LYS 76 0.955 -0.533 17.386 158 H GLN 77 H GLN 77 -0.544 -5.061 13.149 159 HA GLN 77 HA GLN 77 -2.706 -6.994 12.835 160 1HB GLN 77 1HB GLN 77 -1.013 -5.332 10.886 161 2HB GLN 77 2HB GLN 77 -1.929 -6.664 10.250 162 1HG GLN 77 1HG GLN 77 -3.238 -4.713 9.978 163 2HG GLN 77 2HG GLN 77 -4.041 -5.812 11.058 164 1HE2 GLN 77 2HE2 GLN 77 -3.440 -2.026 12.305 165 2HE2 GLN 77 1HE2 GLN 77 -2.977 -2.626 10.635 166 H ARG 78 H ARG 78 -2.572 -8.983 12.793 167 HA ARG 78 HA ARG 78 -0.147 -10.668 12.401 168 1HB ARG 78 1HB ARG 78 -1.549 -12.560 12.956 169 2HB ARG 78 2HB ARG 78 -1.865 -11.251 14.066 170 1HG ARG 78 1HG ARG 78 -3.988 -10.681 12.740 171 2HG ARG 78 2HG ARG 78 -3.691 -12.052 11.693 172 1HD ARG 78 1HD ARG 78 -4.188 -12.218 14.736 173 2HD ARG 78 2HD ARG 78 -5.408 -12.444 13.479 174 HE ARG 78 HE ARG 78 -3.242 -14.328 12.944 175 1HH1 ARG 78 2HH2 ARG 78 -5.851 -13.831 15.309 176 2HH1 ARG 78 1HH2 ARG 78 -5.914 -15.635 15.639 177 1HH2 ARG 78 1HH1 ARG 78 -3.402 -16.360 13.397 178 2HH2 ARG 78 2HH1 ARG 78 -4.620 -16.969 14.628 179 H HIS 79 H HIS 79 -2.557 -9.658 10.096 180 HA HIS 79 HA HIS 79 -2.402 -12.093 8.422 181 1HB HIS 79 1HB HIS 79 -3.750 -9.418 7.718 182 2HB HIS 79 2HB HIS 79 -4.039 -10.961 6.958 183 HD2 HIS 79 HD2 HIS 79 -5.116 -12.982 8.785 184 HE1 HIS 79 HE1 HIS 79 -7.026 -10.152 11.163 185 HE2 HIS 79 HE2 HIS 79 -6.966 -12.676 10.667 186 H ASP 80 H ASP 80 -1.658 -12.362 6.395 187 HA ASP 80 HA ASP 80 0.475 -10.536 5.307 188 1HB ASP 80 1HB ASP 80 0.780 -13.043 5.252 189 2HB ASP 80 2HB ASP 80 -0.573 -13.196 4.145 190 H GLY 81 H GLY 81 -0.071 -8.907 4.169 191 1HA GLY 81 1HA GLY 81 -1.285 -8.031 2.019 192 2HA GLY 81 2HA GLY 81 -2.750 -8.753 2.673 193 H ALA 82 H ALA 82 -2.059 -7.885 5.482 194 HA ALA 82 HA ALA 82 -3.922 -5.722 5.445 195 1HB ALA 82 3HB ALA 82 -2.050 -6.622 7.723 196 2HB ALA 82 1HB ALA 82 -3.429 -5.521 7.914 197 3HB ALA 82 2HB ALA 82 -3.711 -7.181 7.382 198 H PHE 83 H PHE 83 -3.517 -3.856 4.486 199 HA PHE 83 HA PHE 83 -0.854 -2.418 4.873 200 1HB PHE 83 1HB PHE 83 -0.899 -1.746 2.621 201 2HB PHE 83 2HB PHE 83 -1.316 -3.415 2.601 202 HD1 PHE 83 HD2 PHE 83 -3.819 -4.020 2.131 203 HD2 PHE 83 HD1 PHE 83 -2.424 0.019 1.860 204 HE1 PHE 83 HE2 PHE 83 -5.975 -3.341 1.162 205 HE2 PHE 83 HE1 PHE 83 -4.533 0.675 0.781 206 HZ PHE 83 HZ PHE 83 -6.330 -0.978 0.476 207 H LEU 84 H LEU 84 -0.775 -0.166 4.603 208 HA LEU 84 HA LEU 84 -3.321 1.409 4.641 209 1HB LEU 84 1HB LEU 84 -2.866 2.952 6.323 210 2HB LEU 84 2HB LEU 84 -2.842 1.349 6.987 211 HG LEU 84 HG LEU 84 -0.226 1.535 7.007 212 1HD1 LEU 84 3HD1 LEU 84 -0.918 4.522 6.534 213 2HD1 LEU 84 1HD1 LEU 84 0.606 3.969 7.260 214 3HD1 LEU 84 2HD1 LEU 84 0.234 3.538 5.607 215 1HD2 LEU 84 3HD2 LEU 84 -1.737 1.709 9.054 216 2HD2 LEU 84 1HD2 LEU 84 -0.284 2.710 9.197 217 3HD2 LEU 84 2HD2 LEU 84 -1.851 3.464 8.809 218 H ILE 85 H ILE 85 -3.292 2.929 3.107 219 HA ILE 85 HA ILE 85 -0.652 3.696 1.808 220 HB ILE 85 HB ILE 85 -3.531 4.332 1.007 221 1HG1 ILE 85 1HG1 ILE 85 -1.327 2.780 -0.507 222 2HG1 ILE 85 2HG1 ILE 85 -2.432 1.994 0.604 223 1HG2 ILE 85 3HG2 ILE 85 -0.916 5.314 -0.342 224 2HG2 ILE 85 1HG2 ILE 85 -2.544 5.449 -1.051 225 3HG2 ILE 85 2HG2 ILE 85 -2.153 6.339 0.416 226 1HD1 ILE 85 1HD1 ILE 85 -4.402 2.686 -0.731 227 2HD1 ILE 85 2HD1 ILE 85 -3.322 3.440 -1.939 228 3HD1 ILE 85 3HD1 ILE 85 -3.262 1.683 -1.649 229 H ARG 86 H ARG 86 0.393 5.200 2.770 230 HA ARG 86 HA ARG 86 -0.896 7.571 4.223 231 1HB ARG 86 1HB ARG 86 1.218 7.924 5.343 232 2HB ARG 86 2HB ARG 86 0.722 6.266 5.588 233 1HG ARG 86 1HG ARG 86 2.387 5.606 3.680 234 2HG ARG 86 2HG ARG 86 2.913 7.287 3.680 235 1HD ARG 86 1HD ARG 86 3.476 6.943 6.243 236 2HD ARG 86 2HD ARG 86 3.147 5.241 5.962 237 HE ARG 86 HE ARG 86 5.188 5.001 4.718 238 1HH1 ARG 86 2HH2 ARG 86 4.591 8.460 5.274 239 2HH1 ARG 86 1HH2 ARG 86 6.260 8.866 4.630 240 1HH2 ARG 86 1HH1 ARG 86 7.062 5.579 4.003 241 2HH2 ARG 86 2HH1 ARG 86 7.562 7.344 3.960 242 H GLU 87 H GLU 87 -0.114 9.676 3.704 243 HA GLU 87 HA GLU 87 0.985 10.032 0.886 244 1HB GLU 87 1HB GLU 87 -0.986 11.427 1.646 245 2HB GLU 87 2HB GLU 87 0.072 12.264 2.770 246 1HG GLU 87 1HG GLU 87 1.524 13.042 0.851 247 2HG GLU 87 2HG GLU 87 0.510 12.156 -0.285 248 H SER 88 H SER 88 3.063 10.381 0.600 249 HA SER 88 HA SER 88 4.983 9.727 2.573 250 1HB SER 88 1HB SER 88 5.242 9.445 0.084 251 2HB SER 88 2HB SER 88 5.540 11.179 -0.085 252 HG SER 88 HG SER 88 7.026 9.345 1.497 253 H GLU 89 H GLU 89 6.404 10.786 3.849 254 HA GLU 89 HA GLU 89 5.596 13.340 4.857 255 1HB GLU 89 1HB GLU 89 7.081 13.112 6.624 256 2HB GLU 89 2HB GLU 89 6.255 11.598 6.362 257 1HG GLU 89 1HG GLU 89 9.215 12.173 5.642 258 2HG GLU 89 2HG GLU 89 8.659 11.419 7.116 259 H SER 90 H SER 90 6.070 14.936 4.083 260 HA SER 90 HA SER 90 7.224 17.035 3.585 261 1HB SER 90 1HB SER 90 9.472 16.191 4.392 262 2HB SER 90 2HB SER 90 9.791 15.592 2.760 263 HG SER 90 HG SER 90 10.570 17.683 3.115 264 H ALA 91 H ALA 91 6.707 14.324 1.483 265 HA ALA 91 HA ALA 91 6.619 16.214 -0.944 266 1HB ALA 91 3HB ALA 91 6.888 13.159 -0.877 267 2HB ALA 91 1HB ALA 91 6.757 14.179 -2.332 268 3HB ALA 91 2HB ALA 91 8.162 14.342 -1.262 269 HA PRO 92 HA PRO 92 2.047 15.345 -0.106 270 1HB PRO 92 1HB PRO 92 1.047 17.852 -0.758 271 2HB PRO 92 2HB PRO 92 1.721 17.441 0.827 272 1HG PRO 92 1HG PRO 92 3.131 18.867 -1.482 273 2HG PRO 92 2HG PRO 92 3.101 19.333 0.235 274 1HD PRO 92 1HD PRO 92 5.212 17.932 -0.888 275 2HD PRO 92 2HD PRO 92 4.728 17.676 0.817 276 H GLY 93 H GLY 93 0.844 14.454 -1.644 277 1HA GLY 93 1HA GLY 93 -0.079 14.183 -3.959 278 2HA GLY 93 2HA GLY 93 1.269 15.072 -4.637 279 H ASP 94 H ASP 94 3.258 13.556 -2.939 280 HA ASP 94 HA ASP 94 3.517 11.013 -4.555 281 1HB ASP 94 1HB ASP 94 5.538 12.547 -3.911 282 2HB ASP 94 2HB ASP 94 5.321 12.044 -2.254 283 H PHE 95 H PHE 95 2.776 9.105 -3.773 284 HA PHE 95 HA PHE 95 1.885 8.849 -0.854 285 1HB PHE 95 1HB PHE 95 0.723 7.646 -3.448 286 2HB PHE 95 2HB PHE 95 0.256 7.122 -1.858 287 HD1 PHE 95 HD2 PHE 95 -0.939 8.758 -0.263 288 HD2 PHE 95 HD1 PHE 95 -0.146 9.758 -4.374 289 HE1 PHE 95 HE2 PHE 95 -2.537 10.627 -0.135 290 HE2 PHE 95 HE1 PHE 95 -1.751 11.614 -4.222 291 HZ PHE 95 HZ PHE 95 -2.952 12.050 -2.108 292 H SER 96 H SER 96 1.839 6.685 -0.013 293 HA SER 96 HA SER 96 4.037 4.807 -0.982 294 1HB SER 96 1HB SER 96 4.019 6.032 1.855 295 2HB SER 96 2HB SER 96 5.041 4.691 1.330 296 HG SER 96 HG SER 96 6.072 6.687 1.188 297 H LEU 97 H LEU 97 3.091 2.942 -1.106 298 HA LEU 97 HA LEU 97 0.723 2.066 0.564 299 1HB LEU 97 1HB LEU 97 0.774 1.643 -1.857 300 2HB LEU 97 2HB LEU 97 2.320 0.819 -1.760 301 HG LEU 97 HG LEU 97 1.060 -0.894 -0.219 302 1HD1 LEU 97 2HD1 LEU 97 -1.030 0.340 0.098 303 2HD1 LEU 97 3HD1 LEU 97 -1.375 0.308 -1.654 304 3HD1 LEU 97 1HD1 LEU 97 -1.361 -1.202 -0.707 305 1HD2 LEU 97 3HD2 LEU 97 1.938 -1.466 -2.499 306 2HD2 LEU 97 1HD2 LEU 97 0.388 -2.268 -2.197 307 3HD2 LEU 97 2HD2 LEU 97 0.450 -0.829 -3.245 308 H SER 98 H SER 98 1.332 1.578 2.491 309 HA SER 98 HA SER 98 3.947 0.178 3.340 310 1HB SER 98 1HB SER 98 1.769 1.206 5.197 311 2HB SER 98 2HB SER 98 3.457 0.897 5.567 312 HG SER 98 HG SER 98 2.991 3.081 5.322 313 H VAL 99 H VAL 99 3.698 -2.064 3.040 314 HA VAL 99 HA VAL 99 0.946 -3.343 3.590 315 HB VAL 99 HB VAL 99 3.139 -4.502 1.776 316 1HG1 VAL 99 1HG2 VAL 99 1.495 -6.217 2.636 317 2HG1 VAL 99 2HG2 VAL 99 0.144 -5.242 2.040 318 3HG1 VAL 99 3HG2 VAL 99 1.297 -5.975 0.895 319 1HG2 VAL 99 3HG1 VAL 99 0.684 -2.888 0.875 320 2HG2 VAL 99 1HG1 VAL 99 2.401 -2.442 0.670 321 3HG2 VAL 99 2HG1 VAL 99 1.748 -3.834 -0.200 322 H LYS 100 H LYS 100 0.857 -4.649 5.246 323 HA LYS 100 HA LYS 100 3.288 -5.766 6.645 324 1HB LYS 100 1HB LYS 100 1.364 -4.850 7.972 325 2HB LYS 100 2HB LYS 100 0.299 -6.072 7.319 326 1HG LYS 100 1HG LYS 100 0.939 -6.687 9.561 327 2HG LYS 100 2HG LYS 100 1.606 -7.879 8.461 328 1HD LYS 100 1HD LYS 100 3.882 -6.763 8.625 329 2HD LYS 100 2HD LYS 100 3.190 -5.535 9.692 330 1HE LYS 100 1HE LYS 100 2.631 -7.324 11.398 331 2HE LYS 100 2HE LYS 100 3.330 -8.553 10.332 332 1HZ LYS 100 3HZ LYS 100 5.464 -7.360 10.489 333 2HZ LYS 100 1HZ LYS 100 4.796 -6.222 11.482 334 3HZ LYS 100 2HZ LYS 100 4.920 -7.789 11.988 335 H PHE 101 H PHE 101 4.115 -7.625 5.996 336 HA PHE 101 HA PHE 101 2.527 -9.775 4.478 337 1HB PHE 101 1HB PHE 101 5.527 -9.535 4.977 338 2HB PHE 101 2HB PHE 101 4.721 -10.816 4.097 339 HD1 PHE 101 HD1 PHE 101 3.249 -7.646 2.943 340 HD2 PHE 101 HD2 PHE 101 6.595 -10.332 2.576 341 HE1 PHE 101 HE1 PHE 101 4.015 -6.446 0.962 342 HE2 PHE 101 HE2 PHE 101 7.322 -9.129 0.566 343 HZ PHE 101 HZ PHE 101 6.055 -7.177 -0.233 344 H GLY 102 H GLY 102 4.356 -11.727 5.608 345 1HA GLY 102 1HA GLY 102 2.943 -12.876 7.873 346 2HA GLY 102 2HA GLY 102 4.609 -13.268 7.488 347 H ASN 103 H ASN 103 6.269 -11.583 8.236 348 HA ASN 103 HA ASN 103 5.380 -9.803 10.496 349 1HB ASN 103 1HB ASN 103 5.978 -12.062 11.553 350 2HB ASN 103 2HB ASN 103 7.633 -11.834 11.027 351 1HD2 ASN 103 1HD2 ASN 103 8.276 -9.907 14.005 352 2HD2 ASN 103 2HD2 ASN 103 8.895 -10.926 12.611 353 H ASP 104 H ASP 104 5.879 -8.714 8.257 354 HA ASP 104 HA ASP 104 8.262 -6.994 8.764 355 1HB ASP 104 1HB ASP 104 8.172 -8.529 6.074 356 2HB ASP 104 2HB ASP 104 9.184 -7.132 6.397 357 H VAL 105 H VAL 105 7.974 -4.980 7.876 358 HA VAL 105 HA VAL 105 5.392 -4.470 6.299 359 HB VAL 105 HB VAL 105 6.887 -2.502 8.085 360 1HG1 VAL 105 2HG1 VAL 105 5.645 -1.381 6.153 361 2HG1 VAL 105 3HG1 VAL 105 4.156 -2.204 6.619 362 3HG1 VAL 105 1HG1 VAL 105 4.886 -0.991 7.704 363 1HG2 VAL 105 3HG2 VAL 105 5.666 -4.196 9.491 364 2HG2 VAL 105 1HG2 VAL 105 4.872 -2.616 9.597 365 3HG2 VAL 105 2HG2 VAL 105 4.177 -3.892 8.566 366 H GLN 106 H GLN 106 5.941 -4.464 4.231 367 HA GLN 106 HA GLN 106 8.502 -3.175 3.217 368 1HB GLN 106 1HB GLN 106 6.465 -5.073 1.885 369 2HB GLN 106 2HB GLN 106 7.653 -4.183 0.967 370 1HG GLN 106 1HG GLN 106 8.689 -6.194 1.233 371 2HG GLN 106 2HG GLN 106 9.516 -5.148 2.382 372 1HE2 GLN 106 2HE2 GLN 106 9.165 -8.315 4.191 373 2HE2 GLN 106 1HE2 GLN 106 10.157 -7.466 2.901 374 H HIS 107 H HIS 107 8.490 -1.252 2.349 375 HA HIS 107 HA HIS 107 5.884 0.231 1.837 376 1HB HIS 107 1HB HIS 107 8.753 1.068 2.562 377 2HB HIS 107 2HB HIS 107 7.676 2.186 1.814 378 HD2 HIS 107 HD2 HIS 107 7.342 -0.280 4.884 379 HE1 HIS 107 HE1 HIS 107 5.297 3.154 5.881 380 HE2 HIS 107 HE2 HIS 107 6.039 0.921 6.837 381 H PHE 108 H PHE 108 5.356 -0.404 -0.157 382 HA PHE 108 HA PHE 108 7.186 -0.099 -2.563 383 1HB PHE 108 1HB PHE 108 4.178 -0.727 -2.471 384 2HB PHE 108 2HB PHE 108 5.167 -0.711 -3.903 385 HD1 PHE 108 HD1 PHE 108 4.508 -2.622 -0.757 386 HD2 PHE 108 HD2 PHE 108 6.537 -2.623 -4.555 387 HE1 PHE 108 HE1 PHE 108 4.927 -5.024 -0.544 388 HE2 PHE 108 HE2 PHE 108 6.932 -5.042 -4.330 389 HZ PHE 108 HZ PHE 108 6.132 -6.250 -2.335 390 H LYS 109 H LYS 109 7.219 1.763 -3.691 391 HA LYS 109 HA LYS 109 5.725 4.121 -2.537 392 1HB LYS 109 1HB LYS 109 8.024 4.179 -4.549 393 2HB LYS 109 2HB LYS 109 7.292 5.569 -3.772 394 1HG LYS 109 1HG LYS 109 8.876 3.333 -2.370 395 2HG LYS 109 2HG LYS 109 9.438 4.959 -2.715 396 1HD LYS 109 1HD LYS 109 7.725 5.923 -1.135 397 2HD LYS 109 2HD LYS 109 7.102 4.303 -0.800 398 1HE LYS 109 1HE LYS 109 9.351 3.602 0.126 399 2HE LYS 109 2HE LYS 109 9.979 5.230 -0.170 400 1HZ LYS 109 3HZ LYS 109 8.274 6.094 1.353 401 2HZ LYS 109 1HZ LYS 109 7.692 4.572 1.626 402 3HZ LYS 109 2HZ LYS 109 9.221 4.971 2.108 403 H VAL 110 H VAL 110 3.960 4.835 -3.322 404 HA VAL 110 HA VAL 110 2.904 4.078 -6.044 405 HB VAL 110 HB VAL 110 1.597 5.685 -3.781 406 1HG1 VAL 110 2HG1 VAL 110 0.518 6.242 -5.987 407 2HG1 VAL 110 3HG1 VAL 110 0.274 4.512 -6.318 408 3HG1 VAL 110 1HG1 VAL 110 -0.589 5.306 -4.974 409 1HG2 VAL 110 3HG2 VAL 110 1.961 3.272 -3.136 410 2HG2 VAL 110 1HG2 VAL 110 0.253 3.733 -3.217 411 3HG2 VAL 110 2HG2 VAL 110 0.972 2.770 -4.527 412 H LEU 111 H LEU 111 3.741 5.233 -7.647 413 HA LEU 111 HA LEU 111 4.439 8.170 -7.325 414 1HB LEU 111 1HB LEU 111 5.061 6.247 -9.632 415 2HB LEU 111 2HB LEU 111 5.751 7.844 -9.402 416 HG LEU 111 HG LEU 111 6.159 5.420 -7.560 417 1HD1 LEU 111 2HD1 LEU 111 7.250 5.075 -9.763 418 2HD1 LEU 111 3HD1 LEU 111 8.096 6.638 -9.637 419 3HD1 LEU 111 1HD1 LEU 111 8.483 5.310 -8.512 420 1HD2 LEU 111 2HD2 LEU 111 7.586 8.171 -7.450 421 2HD2 LEU 111 3HD2 LEU 111 6.448 7.530 -6.239 422 3HD2 LEU 111 1HD2 LEU 111 8.018 6.746 -6.471 423 H ARG 112 H ARG 112 3.366 9.781 -8.371 424 HA ARG 112 HA ARG 112 0.981 9.026 -10.114 425 1HB ARG 112 1HB ARG 112 1.562 11.775 -8.862 426 2HB ARG 112 2HB ARG 112 0.172 11.327 -9.835 427 1HG ARG 112 1HG ARG 112 -0.197 9.426 -7.972 428 2HG ARG 112 2HG ARG 112 0.841 10.436 -6.987 429 1HD ARG 112 1HD ARG 112 -1.853 11.218 -8.289 430 2HD ARG 112 2HD ARG 112 -1.555 10.883 -6.583 431 HE ARG 112 HE ARG 112 0.126 13.143 -7.425 432 1HH1 ARG 112 2HH2 ARG 112 -3.251 12.358 -6.631 433 2HH1 ARG 112 1HH2 ARG 112 -3.567 14.108 -6.177 434 1HH2 ARG 112 1HH1 ARG 112 -0.346 15.105 -6.884 435 2HH2 ARG 112 2HH1 ARG 112 -2.031 15.556 -6.312 436 H ASP 113 H ASP 113 0.911 9.410 -12.191 437 HA ASP 113 HA ASP 113 3.174 10.831 -13.597 438 1HB ASP 113 1HB ASP 113 2.336 10.009 -15.725 439 2HB ASP 113 2HB ASP 113 2.768 8.761 -14.596 440 H GLY 114 H GLY 114 -0.446 11.199 -13.650 441 1HA GLY 114 1HA GLY 114 -0.249 14.132 -13.636 442 2HA GLY 114 2HA GLY 114 -0.410 13.592 -15.306 443 H ALA 115 H ALA 115 -2.140 15.019 -13.279 444 HA ALA 115 HA ALA 115 -4.365 15.551 -13.193 445 1HB ALA 115 2HB ALA 115 -4.625 15.057 -15.580 446 2HB ALA 115 3HB ALA 115 -5.067 13.371 -15.218 447 3HB ALA 115 1HB ALA 115 -6.109 14.703 -14.669 448 H GLY 116 H GLY 116 -4.766 12.033 -13.345 449 1HA GLY 116 1HA GLY 116 -5.090 11.803 -10.378 450 2HA GLY 116 2HA GLY 116 -6.629 11.585 -11.220 451 H LYS 117 H LYS 117 -3.285 10.482 -11.112 452 HA LYS 117 HA LYS 117 -4.059 7.668 -12.019 453 1HB LYS 117 1HB LYS 117 -1.783 9.358 -13.253 454 2HB LYS 117 2HB LYS 117 -2.012 7.646 -13.540 455 1HG LYS 117 1HG LYS 117 -4.003 9.835 -14.388 456 2HG LYS 117 2HG LYS 117 -2.772 9.107 -15.403 457 1HD LYS 117 1HD LYS 117 -3.875 6.814 -15.040 458 2HD LYS 117 2HD LYS 117 -5.167 7.631 -14.161 459 1HE LYS 117 1HE LYS 117 -5.731 9.012 -16.196 460 2HE LYS 117 2HE LYS 117 -4.408 8.251 -17.095 461 1HZ LYS 117 1HZ LYS 117 -5.522 6.099 -16.802 462 2HZ LYS 117 2HZ LYS 117 -6.759 6.807 -15.967 463 3HZ LYS 117 3HZ LYS 117 -6.519 7.177 -17.559 464 H TYR 118 H TYR 118 -2.792 6.090 -11.236 465 HA TYR 118 HA TYR 118 -0.555 6.754 -9.233 466 1HB TYR 118 1HB TYR 118 -2.907 4.837 -8.614 467 2HB TYR 118 2HB TYR 118 -1.568 5.192 -7.577 468 HD1 TYR 118 HD1 TYR 118 -1.384 7.564 -6.507 469 HD2 TYR 118 HD2 TYR 118 -4.887 6.247 -8.634 470 HE1 TYR 118 HE1 TYR 118 -2.728 9.300 -5.407 471 HE2 TYR 118 HE2 TYR 118 -6.199 8.016 -7.561 472 HH TYR 118 HH TYR 118 -4.714 10.253 -5.214 473 H PHE 119 H PHE 119 1.092 5.783 -10.257 474 HA PHE 119 HA PHE 119 0.734 2.950 -11.347 475 1HB PHE 119 1HB PHE 119 2.506 3.088 -12.797 476 2HB PHE 119 2HB PHE 119 1.434 4.405 -13.118 477 HD1 PHE 119 HD2 PHE 119 2.143 6.806 -12.549 478 HD2 PHE 119 HD1 PHE 119 4.846 3.485 -12.188 479 HE1 PHE 119 HE2 PHE 119 4.070 8.351 -12.627 480 HE2 PHE 119 HE1 PHE 119 6.759 5.040 -12.297 481 HZ PHE 119 HZ PHE 119 6.372 7.471 -12.520 482 H LEU 120 H LEU 120 1.041 1.695 -9.779 483 HA LEU 120 HA LEU 120 3.348 1.999 -7.796 484 1HB LEU 120 1HB LEU 120 1.037 1.860 -6.887 485 2HB LEU 120 2HB LEU 120 0.758 0.324 -7.663 486 HG LEU 120 HG LEU 120 1.138 0.334 -5.195 487 1HD1 LEU 120 3HD2 LEU 120 1.396 -1.792 -6.487 488 2HD1 LEU 120 1HD2 LEU 120 3.152 -1.517 -6.597 489 3HD1 LEU 120 2HD2 LEU 120 2.385 -1.757 -5.015 490 1HD2 LEU 120 2HD1 LEU 120 3.070 2.007 -5.161 491 2HD2 LEU 120 3HD1 LEU 120 3.263 0.594 -4.129 492 3HD2 LEU 120 1HD1 LEU 120 4.151 0.703 -5.678 493 H TRP 121 H TRP 121 1.782 -0.392 -9.968 494 HA TRP 121 HA TRP 121 4.340 -2.108 -9.985 495 1HB TRP 121 1HB TRP 121 2.545 -2.996 -8.407 496 2HB TRP 121 2HB TRP 121 1.438 -3.138 -9.745 497 HD1 TRP 121 HD1 TRP 121 4.721 -4.642 -8.298 498 HE1 TRP 121 HE1 TRP 121 4.881 -7.217 -8.885 499 HE3 TRP 121 HE3 TRP 121 0.867 -4.704 -11.633 500 HZ2 TRP 121 HZ2 TRP 121 3.303 -8.939 -10.561 501 HZ3 TRP 121 HZ3 TRP 121 0.252 -6.844 -12.708 502 HH2 TRP 121 HH2 TRP 121 1.438 -8.923 -12.166 503 H VAL 122 H VAL 122 4.964 -1.518 -11.975 504 HA VAL 122 HA VAL 122 5.109 -1.162 -14.191 505 HB VAL 122 HB VAL 122 5.092 -3.517 -14.250 506 1HG1 VAL 122 2HG1 VAL 122 2.848 -4.239 -13.556 507 2HG1 VAL 122 3HG1 VAL 122 2.137 -3.620 -15.067 508 3HG1 VAL 122 1HG1 VAL 122 3.296 -4.964 -15.099 509 1HG2 VAL 122 3HG2 VAL 122 5.555 -2.239 -16.339 510 2HG2 VAL 122 1HG2 VAL 122 4.878 -3.843 -16.681 511 3HG2 VAL 122 2HG2 VAL 122 3.849 -2.397 -16.824 512 H VAL 123 H VAL 123 1.754 -1.940 -14.815 513 HA VAL 123 HA VAL 123 1.385 0.545 -16.297 514 HB VAL 123 HB VAL 123 -0.902 -0.292 -16.702 515 1HG1 VAL 123 3HG2 VAL 123 0.947 -1.027 -18.182 516 2HG1 VAL 123 1HG2 VAL 123 1.177 -2.487 -17.191 517 3HG1 VAL 123 2HG2 VAL 123 -0.345 -2.240 -18.080 518 1HG2 VAL 123 3HG1 VAL 123 -1.502 -1.431 -14.580 519 2HG2 VAL 123 1HG1 VAL 123 -1.741 -2.501 -15.972 520 3HG2 VAL 123 2HG1 VAL 123 -0.326 -2.724 -14.913 521 H LYS 124 H LYS 124 -0.308 2.068 -16.074 522 HA LYS 124 HA LYS 124 -0.513 3.158 -13.309 523 1HB LYS 124 1HB LYS 124 -1.346 5.189 -14.236 524 2HB LYS 124 2HB LYS 124 0.050 4.656 -15.137 525 1HG LYS 124 1HG LYS 124 -1.563 3.782 -16.981 526 2HG LYS 124 2HG LYS 124 -2.890 4.445 -16.042 527 1HD LYS 124 1HD LYS 124 -2.465 6.089 -17.658 528 2HD LYS 124 2HD LYS 124 -1.777 6.759 -16.182 529 1HE LYS 124 1HE LYS 124 0.549 6.097 -16.940 530 2HE LYS 124 2HE LYS 124 -0.123 5.320 -18.380 531 1HZ LYS 124 3HZ LYS 124 -0.972 7.495 -19.088 532 2HZ LYS 124 1HZ LYS 124 -0.345 8.223 -17.744 533 3HZ LYS 124 2HZ LYS 124 0.664 7.548 -18.864 534 H PHE 125 H PHE 125 -2.388 3.878 -12.317 535 HA PHE 125 HA PHE 125 -4.906 2.175 -12.763 536 1HB PHE 125 1HB PHE 125 -3.580 2.417 -9.991 537 2HB PHE 125 2HB PHE 125 -5.024 1.542 -10.396 538 HD1 PHE 125 HD2 PHE 125 -4.742 -0.455 -12.199 539 HD2 PHE 125 HD1 PHE 125 -1.491 1.218 -9.924 540 HE1 PHE 125 HE2 PHE 125 -3.388 -2.467 -12.617 541 HE2 PHE 125 HE1 PHE 125 -0.170 -0.806 -10.334 542 HZ PHE 125 HZ PHE 125 -1.102 -2.646 -11.692 543 H ASN 126 H ASN 126 -6.370 3.719 -13.063 544 HA ASN 126 HA ASN 126 -6.020 6.471 -12.484 545 1HB ASN 126 1HB ASN 126 -7.509 5.488 -14.253 546 2HB ASN 126 2HB ASN 126 -8.697 5.062 -13.042 547 1HD2 ASN 126 1HD2 ASN 126 -10.079 8.399 -13.076 548 2HD2 ASN 126 2HD2 ASN 126 -10.131 6.695 -12.399 549 H SER 127 H SER 127 -8.203 4.338 -10.602 550 HA SER 127 HA SER 127 -8.492 6.521 -8.486 551 1HB SER 127 1HB SER 127 -10.108 3.916 -8.854 552 2HB SER 127 2HB SER 127 -10.338 5.088 -7.559 553 HG SER 127 HG SER 127 -10.512 5.629 -10.336 554 H LEU 128 H LEU 128 -8.035 6.167 -6.398 555 HA LEU 128 HA LEU 128 -5.930 4.247 -5.630 556 1HB LEU 128 1HB LEU 128 -6.494 6.691 -4.660 557 2HB LEU 128 2HB LEU 128 -7.602 5.829 -3.621 558 HG LEU 128 HG LEU 128 -5.557 4.391 -2.865 559 1HD1 LEU 128 3HD1 LEU 128 -3.976 4.880 -4.771 560 2HD1 LEU 128 1HD1 LEU 128 -3.955 6.599 -4.321 561 3HD1 LEU 128 2HD1 LEU 128 -3.267 5.381 -3.233 562 1HD2 LEU 128 3HD2 LEU 128 -6.509 6.271 -1.479 563 2HD2 LEU 128 1HD2 LEU 128 -4.754 6.151 -1.288 564 3HD2 LEU 128 2HD2 LEU 128 -5.447 7.436 -2.307 565 H ASN 129 H ASN 129 -9.460 4.135 -5.328 566 HA ASN 129 HA ASN 129 -9.502 1.667 -3.675 567 1HB ASN 129 1HB ASN 129 -11.377 3.244 -3.613 568 2HB ASN 129 2HB ASN 129 -11.739 2.956 -5.304 569 1HD2 ASN 129 1HD2 ASN 129 -13.011 0.211 -2.498 570 2HD2 ASN 129 2HD2 ASN 129 -11.828 1.546 -2.066 571 H GLU 130 H GLU 130 -9.531 2.256 -7.262 572 HA GLU 130 HA GLU 130 -9.749 -0.616 -7.889 573 1HB GLU 130 1HB GLU 130 -9.311 -0.318 -10.122 574 2HB GLU 130 2HB GLU 130 -10.371 0.981 -9.619 575 1HG GLU 130 1HG GLU 130 -8.446 2.580 -9.647 576 2HG GLU 130 2HG GLU 130 -7.323 1.296 -10.062 577 H LEU 131 H LEU 131 -6.894 1.368 -7.116 578 HA LEU 131 HA LEU 131 -4.883 -0.651 -7.626 579 1HB LEU 131 1HB LEU 131 -4.348 1.694 -7.102 580 2HB LEU 131 2HB LEU 131 -4.988 1.530 -5.479 581 HG LEU 131 HG LEU 131 -3.156 -0.063 -4.873 582 1HD1 LEU 131 3HD2 LEU 131 -2.600 -1.019 -7.148 583 2HD1 LEU 131 1HD2 LEU 131 -1.927 0.556 -7.638 584 3HD1 LEU 131 2HD2 LEU 131 -1.169 -0.380 -6.327 585 1HD2 LEU 131 2HD1 LEU 131 -2.919 2.381 -4.410 586 2HD2 LEU 131 3HD1 LEU 131 -1.344 1.643 -4.756 587 3HD2 LEU 131 1HD1 LEU 131 -2.153 2.632 -5.998 588 H VAL 132 H VAL 132 -6.917 -0.328 -4.632 589 HA VAL 132 HA VAL 132 -5.724 -2.707 -3.382 590 HB VAL 132 HB VAL 132 -6.591 -1.161 -1.876 591 1HG1 VAL 132 1HG2 VAL 132 -9.460 -1.614 -2.895 592 2HG1 VAL 132 2HG2 VAL 132 -9.000 -0.721 -1.423 593 3HG1 VAL 132 3HG2 VAL 132 -8.487 -0.122 -3.003 594 1HG2 VAL 132 2HG1 VAL 132 -6.576 -3.561 -1.164 595 2HG2 VAL 132 3HG1 VAL 132 -7.852 -2.644 -0.328 596 3HG2 VAL 132 1HG1 VAL 132 -8.270 -3.740 -1.660 597 H ASP 133 H ASP 133 -8.957 -2.425 -5.024 598 HA ASP 133 HA ASP 133 -9.408 -5.313 -4.945 599 1HB ASP 133 1HB ASP 133 -11.261 -5.047 -6.461 600 2HB ASP 133 2HB ASP 133 -11.295 -3.894 -5.156 601 H TYR 134 H TYR 134 -7.389 -3.578 -7.191 602 HA TYR 134 HA TYR 134 -7.169 -5.725 -9.225 603 1HB TYR 134 1HB TYR 134 -6.553 -3.397 -9.767 604 2HB TYR 134 2HB TYR 134 -5.303 -3.373 -8.548 605 HD1 TYR 134 HD2 TYR 134 -6.289 -4.860 -11.849 606 HD2 TYR 134 HD1 TYR 134 -3.095 -4.398 -9.002 607 HE1 TYR 134 HE2 TYR 134 -4.694 -5.770 -13.477 608 HE2 TYR 134 HE1 TYR 134 -1.515 -5.325 -10.629 609 HH TYR 134 HH TYR 134 -1.239 -6.118 -12.699 610 H HIS 135 H HIS 135 -4.849 -4.754 -6.596 611 HA HIS 135 HA HIS 135 -3.448 -7.356 -6.776 612 1HB HIS 135 1HB HIS 135 -3.136 -5.088 -4.740 613 2HB HIS 135 2HB HIS 135 -2.199 -6.565 -4.679 614 HD2 HIS 135 HD2 HIS 135 -1.539 -3.237 -5.695 615 HE1 HIS 135 HE1 HIS 135 0.476 -5.400 -8.609 616 HE2 HIS 135 HE2 HIS 135 0.287 -3.040 -7.606 617 H ARG 136 H ARG 136 -6.324 -6.709 -5.172 618 HA ARG 136 HA ARG 136 -6.241 -8.698 -3.021 619 1HB ARG 136 1HB ARG 136 -7.979 -6.881 -3.507 620 2HB ARG 136 2HB ARG 136 -8.572 -7.834 -4.858 621 1HG ARG 136 1HG ARG 136 -9.240 -9.652 -3.228 622 2HG ARG 136 2HG ARG 136 -8.611 -8.698 -1.887 623 1HD ARG 136 1HD ARG 136 -10.842 -7.774 -3.827 624 2HD ARG 136 2HD ARG 136 -11.146 -8.526 -2.259 625 HE ARG 136 HE ARG 136 -9.520 -6.322 -1.555 626 1HH1 ARG 136 2HH2 ARG 136 -12.560 -6.611 -3.381 627 2HH1 ARG 136 1HH2 ARG 136 -13.041 -4.914 -2.874 628 1HH2 ARG 136 1HH1 ARG 136 -10.175 -4.404 -1.039 629 2HH2 ARG 136 2HH1 ARG 136 -11.782 -3.753 -1.640 630 H SER 137 H SER 137 -6.393 -9.066 -6.512 631 HA SER 137 HA SER 137 -6.490 -12.080 -6.290 632 1HB SER 137 1HB SER 137 -7.453 -10.402 -8.688 633 2HB SER 137 2HB SER 137 -7.294 -12.161 -8.678 634 HG SER 137 HG SER 137 -8.744 -12.223 -6.923 635 H THR 138 H THR 138 -4.782 -9.279 -7.700 636 HA THR 138 HA THR 138 -2.747 -11.085 -9.045 637 HB THR 138 HB THR 138 -2.993 -7.996 -9.029 638 HG1 THR 138 HG1 THR 138 -4.675 -9.113 -10.054 639 1HG2 THR 138 2HG2 THR 138 -1.191 -9.791 -10.789 640 2HG2 THR 138 3HG2 THR 138 -1.550 -8.081 -11.119 641 3HG2 THR 138 1HG2 THR 138 -0.659 -8.520 -9.659 642 H SER 139 H SER 139 -0.498 -10.847 -8.664 643 HA SER 139 HA SER 139 0.222 -10.775 -5.799 644 1HB SER 139 1HB SER 139 1.185 -12.400 -7.503 645 2HB SER 139 2HB SER 139 2.149 -11.073 -8.173 646 HG SER 139 HG SER 139 2.106 -12.035 -5.505 647 H VAL 140 H VAL 140 1.046 -9.151 -4.665 648 HA VAL 140 HA VAL 140 1.552 -6.436 -5.752 649 HB VAL 140 HB VAL 140 2.359 -7.361 -2.941 650 1HG1 VAL 140 2HG2 VAL 140 3.295 -5.115 -3.645 651 2HG1 VAL 140 3HG2 VAL 140 1.655 -4.533 -3.989 652 3HG1 VAL 140 1HG2 VAL 140 2.132 -4.952 -2.324 653 1HG2 VAL 140 2HG1 VAL 140 -0.136 -7.802 -3.248 654 2HG2 VAL 140 3HG1 VAL 140 0.242 -6.584 -2.027 655 3HG2 VAL 140 1HG1 VAL 140 -0.342 -6.072 -3.626 656 H SER 141 H SER 141 3.714 -9.005 -4.471 657 HA SER 141 HA SER 141 6.195 -7.533 -5.462 658 1HB SER 141 1HB SER 141 6.244 -8.568 -3.152 659 2HB SER 141 2HB SER 141 5.976 -10.161 -3.859 660 HG SER 141 HG SER 141 8.153 -9.706 -3.503 661 H ARG 142 H ARG 142 7.411 -8.359 -7.129 662 HA ARG 142 HA ARG 142 6.078 -10.049 -9.166 663 1HB ARG 142 1HB ARG 142 8.928 -8.903 -9.117 664 2HB ARG 142 2HB ARG 142 8.276 -9.844 -10.452 665 1HG ARG 142 1HG ARG 142 6.409 -8.208 -10.780 666 2HG ARG 142 2HG ARG 142 6.999 -7.243 -9.426 667 1HD ARG 142 1HD ARG 142 9.181 -6.817 -10.669 668 2HD ARG 142 2HD ARG 142 8.580 -7.773 -12.017 669 HE ARG 142 HE ARG 142 7.127 -5.987 -12.700 670 1HH1 ARG 142 2HH2 ARG 142 8.420 -5.212 -9.476 671 2HH1 ARG 142 1HH2 ARG 142 7.765 -3.504 -9.612 672 1HH2 ARG 142 1HH1 ARG 142 6.430 -4.024 -12.741 673 2HH2 ARG 142 2HH1 ARG 142 6.715 -2.881 -11.335 674 H ASN 143 H ASN 143 9.001 -10.693 -7.156 675 HA ASN 143 HA ASN 143 9.131 -13.554 -8.007 676 1HB ASN 143 1HB ASN 143 10.603 -12.096 -5.737 677 2HB ASN 143 2HB ASN 143 10.829 -13.788 -6.103 678 1HD2 ASN 143 1HD2 ASN 143 12.900 -13.150 -8.997 679 2HD2 ASN 143 2HD2 ASN 143 11.854 -14.377 -8.120 680 H GLN 144 H GLN 144 8.237 -12.040 -4.839 681 HA GLN 144 HA GLN 144 7.219 -14.657 -3.799 682 1HB GLN 144 1HB GLN 144 7.146 -11.835 -2.535 683 2HB GLN 144 2HB GLN 144 6.535 -13.281 -1.772 684 1HG GLN 144 1HG GLN 144 8.614 -12.998 -0.772 685 2HG GLN 144 2HG GLN 144 8.831 -14.344 -1.864 686 1HE2 GLN 144 2HE2 GLN 144 10.907 -10.820 -2.600 687 2HE2 GLN 144 1HE2 GLN 144 9.386 -10.818 -1.573 688 H GLN 145 H GLN 145 5.117 -15.198 -3.321 689 HA GLN 145 HA GLN 145 2.905 -13.815 -4.867 690 1HB GLN 145 1HB GLN 145 2.877 -16.441 -3.281 691 2HB GLN 145 2HB GLN 145 1.462 -15.720 -4.036 692 1HG GLN 145 1HG GLN 145 2.610 -15.800 -6.306 693 2HG GLN 145 2HG GLN 145 3.993 -16.587 -5.563 694 1HE2 GLN 145 2HE2 GLN 145 0.657 -18.847 -6.345 695 2HE2 GLN 145 1HE2 GLN 145 0.686 -17.030 -6.597 696 H ILE 146 H ILE 146 2.613 -11.944 -3.806 697 HA ILE 146 HA ILE 146 1.743 -11.945 -0.865 698 HB ILE 146 HB ILE 146 2.844 -9.625 -2.538 699 1HG1 ILE 146 1HG1 ILE 146 4.698 -11.119 -2.228 700 2HG1 ILE 146 2HG1 ILE 146 4.920 -9.723 -1.215 701 1HG2 ILE 146 1HG2 ILE 146 1.318 -8.851 -0.672 702 2HG2 ILE 146 2HG2 ILE 146 2.364 -9.665 0.512 703 3HG2 ILE 146 3HG2 ILE 146 2.981 -8.320 -0.487 704 1HD1 ILE 146 2HD1 ILE 146 4.159 -11.154 0.811 705 2HD1 ILE 146 3HD1 ILE 146 4.084 -12.557 -0.286 706 3HD1 ILE 146 1HD1 ILE 146 5.634 -11.736 0.004 707 H PHE 147 H PHE 147 -0.183 -11.053 -0.361 708 HA PHE 147 HA PHE 147 -2.113 -10.389 -2.680 709 1HB PHE 147 1HB PHE 147 -2.401 -12.748 -0.744 710 2HB PHE 147 2HB PHE 147 -3.827 -11.917 -1.284 711 HD1 PHE 147 HD1 PHE 147 -0.698 -13.555 -2.749 712 HD2 PHE 147 HD2 PHE 147 -4.801 -12.420 -3.389 713 HE1 PHE 147 HE1 PHE 147 -0.651 -14.586 -4.986 714 HE2 PHE 147 HE2 PHE 147 -4.759 -13.547 -5.568 715 HZ PHE 147 HZ PHE 147 -2.684 -14.610 -6.382 716 H LEU 148 H LEU 148 -2.950 -8.573 -2.318 717 HA LEU 148 HA LEU 148 -2.587 -7.143 0.196 718 1HB LEU 148 1HB LEU 148 -2.355 -6.367 -2.307 719 2HB LEU 148 2HB LEU 148 -4.091 -6.194 -2.316 720 HG LEU 148 HG LEU 148 -3.869 -4.496 -0.442 721 1HD1 LEU 148 1HD2 LEU 148 -0.818 -4.789 -0.951 722 2HD1 LEU 148 2HD2 LEU 148 -1.565 -3.478 -0.018 723 3HD1 LEU 148 3HD2 LEU 148 -1.670 -5.140 0.572 724 1HD2 LEU 148 2HD1 LEU 148 -3.974 -3.842 -2.891 725 2HD2 LEU 148 3HD1 LEU 148 -3.111 -2.656 -1.890 726 3HD2 LEU 148 1HD1 LEU 148 -2.201 -3.774 -2.938 727 H ARG 149 H ARG 149 -3.940 -6.799 1.856 728 HA ARG 149 HA ARG 149 -6.957 -7.255 1.602 729 1HB ARG 149 1HB ARG 149 -5.142 -8.431 3.814 730 2HB ARG 149 2HB ARG 149 -6.876 -8.628 3.701 731 1HG ARG 149 1HG ARG 149 -4.783 -9.811 1.796 732 2HG ARG 149 2HG ARG 149 -5.631 -10.673 3.060 733 1HD ARG 149 1HD ARG 149 -7.794 -10.495 1.881 734 2HD ARG 149 2HD ARG 149 -7.119 -9.392 0.673 735 HE ARG 149 HE ARG 149 -5.534 -11.847 0.630 736 1HH1 ARG 149 2HH2 ARG 149 -8.766 -10.704 -0.312 737 2HH1 ARG 149 1HH2 ARG 149 -8.861 -11.999 -1.608 738 1HH2 ARG 149 1HH1 ARG 149 -5.752 -13.280 -0.874 739 2HH2 ARG 149 2HH1 ARG 149 -7.269 -13.357 -1.902 740 H ASP 150 H ASP 150 -8.182 -6.428 3.430 741 HA ASP 150 HA ASP 150 -7.246 -3.761 4.319 742 1HB ASP 150 1HB ASP 150 -9.637 -4.351 3.663 743 2HB ASP 150 2HB ASP 150 -9.805 -5.275 5.146 744 H ILE 151 H ILE 151 -7.035 -2.990 6.430 745 HA ILE 151 HA ILE 151 -5.459 -4.678 8.225 746 HB ILE 151 HB ILE 151 -5.424 -2.637 9.789 747 1HG1 ILE 151 1HG1 ILE 151 -5.916 -0.397 8.793 748 2HG1 ILE 151 2HG1 ILE 151 -6.813 -1.140 7.483 749 1HG2 ILE 151 3HG2 ILE 151 -4.384 -2.403 6.938 750 2HG2 ILE 151 1HG2 ILE 151 -3.825 -1.396 8.301 751 3HG2 ILE 151 2HG2 ILE 151 -3.569 -3.148 8.319 752 1HD1 ILE 151 3HD1 ILE 151 -7.562 -1.402 10.483 753 2HD1 ILE 151 1HD1 ILE 151 -8.251 -0.209 9.357 754 3HD1 ILE 151 2HD1 ILE 151 -8.554 -1.939 9.097 755 H GLU 152 H GLU 152 -5.668 -4.805 10.533 756 HA GLU 152 HA GLU 152 -8.281 -6.222 11.174 757 1HB GLU 152 1HB GLU 152 -6.058 -7.390 11.427 758 2HB GLU 152 2HB GLU 152 -5.590 -6.237 12.671 759 1HG GLU 152 1HG GLU 152 -7.497 -7.031 14.129 760 2HG GLU 152 2HG GLU 152 -8.008 -8.144 12.861 761 HXT GLU 152 HO OH 153 -9.644 -4.933 11.834 No H/Q in entry = 761 Start of MODEL 3 1 1H GLY 58 1H GLY 58 -14.155 0.213 4.557 2 2H GLY 58 2H GLY 58 -14.193 1.163 3.228 3 1HA GLY 58 1HA GLY 58 -12.551 -1.304 3.496 4 2HA GLY 58 2HA GLY 58 -12.603 -0.263 2.076 5 H SER 59 H SER 59 -11.506 -0.550 5.359 6 HA SER 59 HA SER 59 -10.429 2.224 5.562 7 1HB SER 59 1HB SER 59 -9.696 1.607 7.822 8 2HB SER 59 2HB SER 59 -11.382 1.186 7.552 9 HG SER 59 HG SER 59 -10.221 -0.452 8.587 10 H TRP 60 H TRP 60 -8.597 2.780 4.514 11 HA TRP 60 HA TRP 60 -6.058 1.337 5.141 12 1HB TRP 60 1HB TRP 60 -5.334 1.283 2.705 13 2HB TRP 60 2HB TRP 60 -6.410 0.054 3.286 14 HD1 TRP 60 HD1 TRP 60 -6.905 3.494 1.488 15 HE1 TRP 60 HE1 TRP 60 -8.780 3.359 -0.379 16 HE3 TRP 60 HE3 TRP 60 -8.294 -1.260 2.505 17 HZ2 TRP 60 HZ2 TRP 60 -10.624 1.300 -1.117 18 HZ3 TRP 60 HZ3 TRP 60 -10.241 -2.220 1.320 19 HH2 TRP 60 HH2 TRP 60 -11.387 -0.961 -0.460 20 H PHE 61 H PHE 61 -7.461 4.252 3.573 21 HA PHE 61 HA PHE 61 -4.794 5.504 3.419 22 1HB PHE 61 1HB PHE 61 -6.566 5.868 1.696 23 2HB PHE 61 2HB PHE 61 -7.562 6.721 2.852 24 HD1 PHE 61 HD1 PHE 61 -4.095 6.807 1.307 25 HD2 PHE 61 HD2 PHE 61 -7.269 9.132 3.043 26 HE1 PHE 61 HE1 PHE 61 -2.816 8.853 0.913 27 HE2 PHE 61 HE2 PHE 61 -5.996 11.187 2.584 28 HZ PHE 61 HZ PHE 61 -3.765 11.058 1.528 29 H PHE 62 H PHE 62 -3.913 7.081 4.566 30 HA PHE 62 HA PHE 62 -5.324 8.242 7.034 31 1HB PHE 62 1HB PHE 62 -2.407 7.358 6.869 32 2HB PHE 62 2HB PHE 62 -3.016 8.424 8.102 33 HD1 PHE 62 HD2 PHE 62 -3.321 4.944 6.748 34 HD2 PHE 62 HD1 PHE 62 -4.335 7.574 9.996 35 HE1 PHE 62 HE2 PHE 62 -4.100 3.024 8.070 36 HE2 PHE 62 HE1 PHE 62 -5.092 5.639 11.314 37 HZ PHE 62 HZ PHE 62 -4.984 3.361 10.355 38 H GLY 63 H GLY 63 -2.281 9.004 5.244 39 1HA GLY 63 1HA GLY 63 -2.127 10.976 3.715 40 2HA GLY 63 2HA GLY 63 -3.435 11.770 4.556 41 H LYS 64 H LYS 64 -0.078 11.166 4.488 42 HA LYS 64 HA LYS 64 1.782 12.003 5.569 43 1HB LYS 64 1HB LYS 64 0.042 14.393 6.300 44 2HB LYS 64 2HB LYS 64 1.765 14.274 6.616 45 1HG LYS 64 1HG LYS 64 2.156 13.835 4.108 46 2HG LYS 64 2HG LYS 64 0.452 14.192 3.835 47 1HD LYS 64 1HD LYS 64 0.771 16.499 4.816 48 2HD LYS 64 2HD LYS 64 2.468 16.128 5.149 49 1HE LYS 64 1HE LYS 64 2.876 15.788 2.650 50 2HE LYS 64 2HE LYS 64 1.189 16.206 2.330 51 1HZ LYS 64 2HZ LYS 64 1.606 18.396 3.327 52 2HZ LYS 64 3HZ LYS 64 3.183 18.003 3.625 53 3HZ LYS 64 1HZ LYS 64 2.640 18.117 2.069 54 H ILE 65 H ILE 65 1.536 10.067 6.769 55 HA ILE 65 HA ILE 65 1.862 10.717 9.734 56 HB ILE 65 HB ILE 65 1.274 8.461 10.390 57 1HG1 ILE 65 1HG1 ILE 65 0.224 7.859 7.575 58 2HG1 ILE 65 2HG1 ILE 65 1.792 7.309 8.150 59 1HG2 ILE 65 2HG2 ILE 65 -0.449 10.275 10.442 60 2HG2 ILE 65 3HG2 ILE 65 -1.037 9.773 8.840 61 3HG2 ILE 65 1HG2 ILE 65 -1.182 8.672 10.231 62 1HD1 ILE 65 3HD1 ILE 65 0.723 6.031 10.030 63 2HD1 ILE 65 1HD1 ILE 65 -0.889 6.498 9.418 64 3HD1 ILE 65 2HD1 ILE 65 0.191 5.496 8.418 65 HA PRO 66 HA PRO 66 6.111 9.428 8.917 66 1HB PRO 66 1HB PRO 66 7.075 8.769 11.433 67 2HB PRO 66 2HB PRO 66 6.639 10.412 10.941 68 1HG PRO 66 1HG PRO 66 4.948 8.431 12.530 69 2HG PRO 66 2HG PRO 66 5.258 10.140 12.907 70 1HD PRO 66 1HD PRO 66 2.949 9.287 11.614 71 2HD PRO 66 2HD PRO 66 3.664 10.889 11.263 72 H ARG 67 H ARG 67 7.639 7.677 8.938 73 HA ARG 67 HA ARG 67 6.496 5.135 8.111 74 1HB ARG 67 1HB ARG 67 8.749 6.229 7.393 75 2HB ARG 67 2HB ARG 67 9.461 5.552 8.841 76 1HG ARG 67 1HG ARG 67 8.726 3.221 8.061 77 2HG ARG 67 2HG ARG 67 8.032 3.965 6.622 78 1HD ARG 67 1HD ARG 67 10.305 4.768 5.901 79 2HD ARG 67 2HD ARG 67 11.029 4.037 7.351 80 HE ARG 67 HE ARG 67 9.536 1.924 6.063 81 1HH1 ARG 67 2HH2 ARG 67 12.343 3.949 5.256 82 2HH1 ARG 67 1HH2 ARG 67 13.013 2.617 4.186 83 1HH2 ARG 67 2HH1 ARG 67 11.976 0.785 3.960 84 2HH2 ARG 67 1HH1 ARG 67 10.386 0.481 4.824 85 H ALA 68 H ALA 68 7.999 6.007 11.175 86 HA ALA 68 HA ALA 68 8.155 3.269 12.316 87 1HB ALA 68 2HB ALA 68 9.647 5.063 13.166 88 2HB ALA 68 3HB ALA 68 8.250 5.977 13.793 89 3HB ALA 68 1HB ALA 68 8.668 4.390 14.483 90 H LYS 69 H LYS 69 5.742 5.923 12.816 91 HA LYS 69 HA LYS 69 3.913 4.280 14.460 92 1HB LYS 69 1HB LYS 69 3.273 6.776 12.782 93 2HB LYS 69 2HB LYS 69 2.134 5.971 13.849 94 1HG LYS 69 1HG LYS 69 3.657 6.364 15.828 95 2HG LYS 69 2HG LYS 69 4.776 7.241 14.784 96 1HD LYS 69 1HD LYS 69 2.922 8.881 14.204 97 2HD LYS 69 2HD LYS 69 1.832 8.048 15.301 98 1HE LYS 69 1HE LYS 69 4.503 9.385 16.144 99 2HE LYS 69 2HE LYS 69 2.925 10.162 16.228 100 1HZ LYS 69 1HZ LYS 69 2.197 8.449 17.798 101 2HZ LYS 69 2HZ LYS 69 3.671 7.706 17.734 102 3HZ LYS 69 3HZ LYS 69 3.541 9.229 18.359 103 H ALA 70 H ALA 70 4.235 4.608 10.949 104 HA ALA 70 HA ALA 70 1.762 3.094 10.259 105 1HB ALA 70 2HB ALA 70 2.810 4.561 8.561 106 2HB ALA 70 3HB ALA 70 4.307 3.597 8.579 107 3HB ALA 70 1HB ALA 70 2.796 2.886 7.972 108 H GLU 71 H GLU 71 5.181 2.124 10.636 109 HA GLU 71 HA GLU 71 4.803 -0.769 10.257 110 1HB GLU 71 1HB GLU 71 6.984 0.812 11.747 111 2HB GLU 71 2HB GLU 71 7.041 -0.928 11.517 112 1HG GLU 71 1HG GLU 71 7.111 -0.701 9.047 113 2HG GLU 71 2HG GLU 71 6.893 1.033 9.140 114 H GLU 72 H GLU 72 4.690 1.214 13.263 115 HA GLU 72 HA GLU 72 4.275 -0.976 15.132 116 1HB GLU 72 1HB GLU 72 3.471 1.986 15.286 117 2HB GLU 72 2HB GLU 72 3.196 0.874 16.612 118 1HG GLU 72 1HG GLU 72 5.580 0.434 16.933 119 2HG GLU 72 2HG GLU 72 6.023 1.305 15.475 120 H MET 73 H MET 73 1.779 1.090 13.540 121 HA MET 73 HA MET 73 -0.528 -0.334 14.662 122 1HB MET 73 1HB MET 73 -0.218 1.597 12.291 123 2HB MET 73 2HB MET 73 -1.733 0.770 12.560 124 1HG MET 73 1HG MET 73 -1.898 2.930 13.595 125 2HG MET 73 2HG MET 73 -1.947 1.713 14.869 126 1HE MET 73 1HE MET 73 -0.877 2.551 17.072 127 2HE MET 73 3HE MET 73 0.222 1.236 16.552 128 3HE MET 73 2HE MET 73 0.896 2.768 17.176 129 H LEU 74 H LEU 74 1.114 -0.827 11.498 130 HA LEU 74 HA LEU 74 -0.638 -3.059 10.670 131 1HB LEU 74 1HB LEU 74 2.043 -1.977 9.689 132 2HB LEU 74 2HB LEU 74 1.562 -3.572 9.185 133 HG LEU 74 HG LEU 74 -0.459 -2.844 8.112 134 1HD1 LEU 74 1HD2 LEU 74 0.106 0.038 9.027 135 2HD1 LEU 74 2HD2 LEU 74 -1.137 -0.460 7.843 136 3HD1 LEU 74 3HD2 LEU 74 -1.270 -0.977 9.525 137 1HD2 LEU 74 1HD1 LEU 74 1.943 -1.049 7.351 138 2HD2 LEU 74 2HD1 LEU 74 1.641 -2.713 6.782 139 3HD2 LEU 74 3HD1 LEU 74 0.555 -1.395 6.304 140 H SER 75 H SER 75 2.515 -3.101 12.409 141 HA SER 75 HA SER 75 2.743 -5.987 12.667 142 1HB SER 75 1HB SER 75 3.731 -3.794 14.585 143 2HB SER 75 2HB SER 75 4.142 -5.506 14.733 144 HG SER 75 HG SER 75 4.614 -3.881 12.461 145 H LYS 76 H LYS 76 0.788 -3.727 14.606 146 HA LYS 76 HA LYS 76 -0.193 -5.695 16.589 147 1HB LYS 76 1HB LYS 76 -1.384 -3.022 15.637 148 2HB LYS 76 2HB LYS 76 -2.105 -3.999 16.899 149 1HG LYS 76 1HG LYS 76 -0.181 -3.746 18.391 150 2HG LYS 76 2HG LYS 76 0.789 -3.007 17.132 151 1HD LYS 76 1HD LYS 76 0.069 -1.229 18.580 152 2HD LYS 76 2HD LYS 76 -0.706 -1.026 17.027 153 1HE LYS 76 1HE LYS 76 -2.335 -0.482 18.726 154 2HE LYS 76 2HE LYS 76 -2.876 -1.977 17.973 155 1HZ LYS 76 2HZ LYS 76 -1.433 -1.778 20.581 156 2HZ LYS 76 3HZ LYS 76 -3.046 -2.077 20.383 157 3HZ LYS 76 1HZ LYS 76 -1.932 -3.193 19.889 158 H GLN 77 H GLN 77 -1.413 -4.779 13.340 159 HA GLN 77 HA GLN 77 -3.849 -6.334 13.407 160 1HB GLN 77 1HB GLN 77 -2.194 -5.047 11.205 161 2HB GLN 77 2HB GLN 77 -3.136 -6.413 10.695 162 1HG GLN 77 1HG GLN 77 -4.474 -4.527 10.295 163 2HG GLN 77 2HG GLN 77 -5.224 -5.447 11.572 164 1HE2 GLN 77 2HE2 GLN 77 -4.094 -1.587 12.332 165 2HE2 GLN 77 1HE2 GLN 77 -3.570 -2.450 10.800 166 H ARG 78 H ARG 78 -4.163 -8.261 13.401 167 HA ARG 78 HA ARG 78 -2.274 -10.497 13.320 168 1HB ARG 78 1HB ARG 78 -4.232 -11.929 13.654 169 2HB ARG 78 2HB ARG 78 -4.324 -10.514 14.669 170 1HG ARG 78 1HG ARG 78 -5.962 -9.475 12.888 171 2HG ARG 78 2HG ARG 78 -5.917 -11.025 12.076 172 1HD ARG 78 1HD ARG 78 -7.922 -10.947 13.358 173 2HD ARG 78 2HD ARG 78 -6.880 -12.145 14.136 174 HE ARG 78 HE ARG 78 -6.371 -9.664 15.524 175 1HH1 ARG 78 2HH2 ARG 78 -9.202 -11.751 15.000 176 2HH1 ARG 78 1HH2 ARG 78 -9.939 -11.169 16.577 177 1HH2 ARG 78 1HH1 ARG 78 -7.302 -9.073 17.295 178 2HH2 ARG 78 2HH1 ARG 78 -8.933 -9.755 17.787 179 H HIS 79 H HIS 79 -3.912 -9.085 10.590 180 HA HIS 79 HA HIS 79 -4.122 -11.593 9.049 181 1HB HIS 79 1HB HIS 79 -4.587 -8.714 8.058 182 2HB HIS 79 2HB HIS 79 -5.085 -10.177 7.249 183 HD2 HIS 79 HD2 HIS 79 -6.888 -11.832 8.863 184 HE1 HIS 79 HE1 HIS 79 -8.514 -8.570 10.856 185 HE2 HIS 79 HE2 HIS 79 -8.925 -11.058 10.381 186 H ASP 80 H ASP 80 -3.055 -12.288 7.348 187 HA ASP 80 HA ASP 80 -0.340 -11.266 6.577 188 1HB ASP 80 1HB ASP 80 -0.846 -13.714 6.709 189 2HB ASP 80 2HB ASP 80 -2.072 -13.569 5.461 190 H GLY 81 H GLY 81 0.031 -9.883 4.905 191 1HA GLY 81 1HA GLY 81 -0.459 -8.601 2.886 192 2HA GLY 81 2HA GLY 81 -2.109 -9.166 2.882 193 H ALA 82 H ALA 82 -1.304 -7.917 6.017 194 HA ALA 82 HA ALA 82 -3.432 -5.963 5.748 195 1HB ALA 82 2HB ALA 82 -2.996 -7.134 7.888 196 2HB ALA 82 3HB ALA 82 -1.447 -6.285 8.088 197 3HB ALA 82 1HB ALA 82 -2.979 -5.383 8.131 198 H PHE 83 H PHE 83 -3.291 -4.054 4.778 199 HA PHE 83 HA PHE 83 -0.648 -2.513 4.778 200 1HB PHE 83 1HB PHE 83 -0.841 -2.089 2.494 201 2HB PHE 83 2HB PHE 83 -1.120 -3.766 2.695 202 HD1 PHE 83 HD2 PHE 83 -2.702 -0.523 1.767 203 HD2 PHE 83 HD1 PHE 83 -3.444 -4.727 2.234 204 HE1 PHE 83 HE2 PHE 83 -4.950 -0.244 0.823 205 HE2 PHE 83 HE1 PHE 83 -5.697 -4.424 1.291 206 HZ PHE 83 HZ PHE 83 -6.473 -2.182 0.642 207 H LEU 84 H LEU 84 -0.632 -0.323 4.381 208 HA LEU 84 HA LEU 84 -3.193 1.265 4.404 209 1HB LEU 84 1HB LEU 84 -2.551 2.917 6.002 210 2HB LEU 84 2HB LEU 84 -2.581 1.342 6.734 211 HG LEU 84 HG LEU 84 0.007 1.341 6.641 212 1HD1 LEU 84 3HD1 LEU 84 -0.413 4.324 5.913 213 2HD1 LEU 84 1HD1 LEU 84 1.104 3.666 6.567 214 3HD1 LEU 84 2HD1 LEU 84 0.533 3.129 4.993 215 1HD2 LEU 84 3HD2 LEU 84 -1.401 1.897 8.717 216 2HD2 LEU 84 1HD2 LEU 84 0.187 2.681 8.694 217 3HD2 LEU 84 2HD2 LEU 84 -1.273 3.614 8.302 218 H ILE 85 H ILE 85 -2.969 3.405 3.520 219 HA ILE 85 HA ILE 85 -0.450 3.816 1.795 220 HB ILE 85 HB ILE 85 -3.264 4.745 0.989 221 1HG1 ILE 85 1HG1 ILE 85 -2.464 3.413 -1.203 222 2HG1 ILE 85 2HG1 ILE 85 -1.374 2.596 -0.119 223 1HG2 ILE 85 3HG2 ILE 85 -0.535 5.288 -0.368 224 2HG2 ILE 85 1HG2 ILE 85 -2.127 5.691 -1.059 225 3HG2 ILE 85 2HG2 ILE 85 -1.579 6.502 0.407 226 1HD1 ILE 85 1HD1 ILE 85 -4.467 2.699 0.154 227 2HD1 ILE 85 2HD1 ILE 85 -3.529 1.351 -0.532 228 3HD1 ILE 85 3HD1 ILE 85 -3.385 1.735 1.193 229 H ARG 86 H ARG 86 0.673 5.234 2.829 230 HA ARG 86 HA ARG 86 -0.570 7.652 4.244 231 1HB ARG 86 1HB ARG 86 1.498 7.977 5.422 232 2HB ARG 86 2HB ARG 86 0.926 6.346 5.680 233 1HG ARG 86 1HG ARG 86 2.665 5.574 3.883 234 2HG ARG 86 2HG ARG 86 3.269 7.231 3.891 235 1HD ARG 86 1HD ARG 86 3.640 6.932 6.481 236 2HD ARG 86 2HD ARG 86 3.228 5.245 6.249 237 HE ARG 86 HE ARG 86 5.306 4.840 5.074 238 1HH1 ARG 86 2HH2 ARG 86 4.990 8.316 5.766 239 2HH1 ARG 86 1HH2 ARG 86 6.744 8.579 5.294 240 1HH2 ARG 86 1HH1 ARG 86 7.281 5.260 4.561 241 2HH2 ARG 86 2HH1 ARG 86 7.949 6.966 4.659 242 H GLU 87 H GLU 87 -0.160 9.678 3.447 243 HA GLU 87 HA GLU 87 1.138 9.977 0.743 244 1HB GLU 87 1HB GLU 87 -0.946 11.249 1.357 245 2HB GLU 87 2HB GLU 87 -0.040 12.169 2.549 246 1HG GLU 87 1HG GLU 87 1.445 13.097 0.713 247 2HG GLU 87 2HG GLU 87 0.605 12.112 -0.479 248 H SER 88 H SER 88 3.123 10.828 0.381 249 HA SER 88 HA SER 88 5.178 10.733 2.460 250 1HB SER 88 1HB SER 88 5.387 11.895 -0.390 251 2HB SER 88 2HB SER 88 6.747 11.587 0.690 252 HG SER 88 HG SER 88 6.359 9.883 -0.732 253 H GLU 89 H GLU 89 5.893 12.224 3.778 254 HA GLU 89 HA GLU 89 4.434 14.677 4.246 255 1HB GLU 89 1HB GLU 89 7.080 13.756 5.517 256 2HB GLU 89 2HB GLU 89 6.198 15.185 6.002 257 1HG GLU 89 1HG GLU 89 5.520 13.634 7.593 258 2HG GLU 89 2HG GLU 89 4.139 13.735 6.522 259 H SER 90 H SER 90 7.836 14.404 3.099 260 HA SER 90 HA SER 90 8.149 17.280 2.531 261 1HB SER 90 1HB SER 90 10.077 15.706 2.887 262 2HB SER 90 2HB SER 90 9.719 14.906 1.351 263 HG SER 90 HG SER 90 10.317 17.658 1.738 264 H ALA 91 H ALA 91 7.028 14.561 0.449 265 HA ALA 91 HA ALA 91 6.559 16.554 -1.848 266 1HB ALA 91 3HB ALA 91 7.066 13.531 -1.985 267 2HB ALA 91 1HB ALA 91 6.706 14.600 -3.362 268 3HB ALA 91 2HB ALA 91 8.196 14.835 -2.427 269 HA PRO 92 HA PRO 92 2.127 15.277 -0.754 270 1HB PRO 92 1HB PRO 92 0.906 17.696 -1.414 271 2HB PRO 92 2HB PRO 92 1.631 17.341 0.160 272 1HG PRO 92 1HG PRO 92 2.879 18.884 -2.159 273 2HG PRO 92 2HG PRO 92 2.859 19.326 -0.436 274 1HD PRO 92 1HD PRO 92 5.039 18.120 -1.640 275 2HD PRO 92 2HD PRO 92 4.640 17.800 0.075 276 H GLY 93 H GLY 93 1.062 14.190 -2.240 277 1HA GLY 93 1HA GLY 93 0.044 13.920 -4.571 278 2HA GLY 93 2HA GLY 93 1.406 14.780 -5.263 279 H ASP 94 H ASP 94 3.373 13.351 -3.487 280 HA ASP 94 HA ASP 94 3.580 10.695 -4.946 281 1HB ASP 94 1HB ASP 94 5.641 12.218 -4.644 282 2HB ASP 94 2HB ASP 94 5.551 11.947 -2.915 283 H PHE 95 H PHE 95 2.928 8.877 -3.960 284 HA PHE 95 HA PHE 95 2.122 8.877 -1.006 285 1HB PHE 95 1HB PHE 95 0.932 7.412 -3.456 286 2HB PHE 95 2HB PHE 95 0.476 7.071 -1.817 287 HD1 PHE 95 HD1 PHE 95 -0.821 8.784 -0.450 288 HD2 PHE 95 HD2 PHE 95 0.188 9.515 -4.568 289 HE1 PHE 95 HE1 PHE 95 -2.427 10.661 -0.535 290 HE2 PHE 95 HE2 PHE 95 -1.401 11.390 -4.609 291 HZ PHE 95 HZ PHE 95 -2.721 11.953 -2.606 292 H SER 96 H SER 96 2.064 6.695 -0.057 293 HA SER 96 HA SER 96 4.316 4.835 -0.921 294 1HB SER 96 1HB SER 96 4.293 6.242 1.835 295 2HB SER 96 2HB SER 96 5.307 4.857 1.419 296 HG SER 96 HG SER 96 5.264 7.353 0.075 297 H LEU 97 H LEU 97 3.324 3.008 -0.990 298 HA LEU 97 HA LEU 97 1.015 2.166 0.784 299 1HB LEU 97 1HB LEU 97 0.876 1.832 -1.608 300 2HB LEU 97 2HB LEU 97 2.415 0.982 -1.662 301 HG LEU 97 HG LEU 97 1.268 -0.779 -0.121 302 1HD1 LEU 97 3HD2 LEU 97 -0.798 0.436 0.482 303 2HD1 LEU 97 1HD2 LEU 97 -1.306 0.459 -1.233 304 3HD1 LEU 97 2HD2 LEU 97 -1.170 -1.082 -0.351 305 1HD2 LEU 97 1HD1 LEU 97 1.939 -1.202 -2.500 306 2HD2 LEU 97 2HD1 LEU 97 0.433 -2.037 -2.099 307 3HD2 LEU 97 3HD1 LEU 97 0.385 -0.541 -3.068 308 H SER 98 H SER 98 1.718 1.647 2.674 309 HA SER 98 HA SER 98 4.190 0.006 3.438 310 1HB SER 98 1HB SER 98 1.964 0.756 5.352 311 2HB SER 98 2HB SER 98 3.671 0.485 5.683 312 HG SER 98 HG SER 98 3.095 2.648 5.747 313 H VAL 99 H VAL 99 3.987 -2.289 3.205 314 HA VAL 99 HA VAL 99 1.182 -3.525 3.597 315 HB VAL 99 HB VAL 99 3.178 -4.586 1.508 316 1HG1 VAL 99 3HG1 VAL 99 0.245 -5.351 2.163 317 2HG1 VAL 99 1HG1 VAL 99 1.106 -5.885 0.711 318 3HG1 VAL 99 2HG1 VAL 99 1.682 -6.374 2.312 319 1HG2 VAL 99 2HG2 VAL 99 0.677 -2.890 0.939 320 2HG2 VAL 99 3HG2 VAL 99 2.382 -2.441 0.654 321 3HG2 VAL 99 1HG2 VAL 99 1.655 -3.759 -0.272 322 H LYS 100 H LYS 100 1.214 -4.893 5.136 323 HA LYS 100 HA LYS 100 3.692 -6.214 6.254 324 1HB LYS 100 1HB LYS 100 1.885 -5.417 7.780 325 2HB LYS 100 2HB LYS 100 0.766 -6.590 7.104 326 1HG LYS 100 1HG LYS 100 2.162 -8.484 7.931 327 2HG LYS 100 2HG LYS 100 3.436 -7.378 8.450 328 1HD LYS 100 1HD LYS 100 1.929 -6.351 10.131 329 2HD LYS 100 2HD LYS 100 0.564 -7.311 9.567 330 1HE LYS 100 1HE LYS 100 1.312 -8.360 11.581 331 2HE LYS 100 2HE LYS 100 1.799 -9.441 10.277 332 1HZ LYS 100 3HZ LYS 100 3.577 -7.488 11.675 333 2HZ LYS 100 1HZ LYS 100 3.568 -9.125 11.898 334 3HZ LYS 100 2HZ LYS 100 4.060 -8.492 10.454 335 H PHE 101 H PHE 101 4.293 -8.323 5.850 336 HA PHE 101 HA PHE 101 2.285 -10.314 4.894 337 1HB PHE 101 1HB PHE 101 3.311 -9.192 2.745 338 2HB PHE 101 2HB PHE 101 4.784 -10.037 3.106 339 HD1 PHE 101 HD2 PHE 101 1.167 -10.427 2.204 340 HD2 PHE 101 HD1 PHE 101 4.885 -12.527 2.753 341 HE1 PHE 101 HE2 PHE 101 0.240 -12.388 1.052 342 HE2 PHE 101 HE1 PHE 101 3.925 -14.493 1.625 343 HZ PHE 101 HZ PHE 101 1.604 -14.430 0.779 344 H GLY 102 H GLY 102 2.561 -11.647 6.511 345 1HA GLY 102 1HA GLY 102 3.614 -13.396 7.816 346 2HA GLY 102 2HA GLY 102 5.171 -13.058 7.078 347 H ASN 103 H ASN 103 6.555 -11.782 8.209 348 HA ASN 103 HA ASN 103 5.558 -9.841 10.329 349 1HB ASN 103 1HB ASN 103 7.765 -11.901 10.935 350 2HB ASN 103 2HB ASN 103 7.483 -10.464 11.887 351 1HD2 ASN 103 1HD2 ASN 103 4.589 -11.820 13.575 352 2HD2 ASN 103 2HD2 ASN 103 5.502 -10.294 13.123 353 H ASP 104 H ASP 104 5.947 -8.793 8.142 354 HA ASP 104 HA ASP 104 8.299 -7.072 8.523 355 1HB ASP 104 1HB ASP 104 9.317 -7.200 6.264 356 2HB ASP 104 2HB ASP 104 9.641 -8.565 7.305 357 H VAL 105 H VAL 105 7.825 -5.128 7.928 358 HA VAL 105 HA VAL 105 5.319 -4.580 6.227 359 HB VAL 105 HB VAL 105 6.527 -2.798 8.387 360 1HG1 VAL 105 3HG2 VAL 105 5.501 -1.426 6.527 361 2HG1 VAL 105 1HG2 VAL 105 4.006 -2.364 6.623 362 3HG1 VAL 105 2HG2 VAL 105 4.497 -1.314 7.978 363 1HG2 VAL 105 2HG1 VAL 105 5.243 -4.694 9.414 364 2HG2 VAL 105 3HG1 VAL 105 4.373 -3.168 9.635 365 3HG2 VAL 105 1HG1 VAL 105 3.838 -4.323 8.390 366 H GLN 106 H GLN 106 6.045 -4.353 4.252 367 HA GLN 106 HA GLN 106 8.627 -2.877 3.640 368 1HB GLN 106 1HB GLN 106 8.958 -4.052 1.697 369 2HB GLN 106 2HB GLN 106 8.658 -5.177 3.018 370 1HG GLN 106 1HG GLN 106 6.208 -5.266 2.183 371 2HG GLN 106 2HG GLN 106 6.771 -4.335 0.790 372 1HE2 GLN 106 2HE2 GLN 106 7.703 -8.370 0.988 373 2HE2 GLN 106 1HE2 GLN 106 6.985 -7.468 2.415 374 H HIS 107 H HIS 107 8.641 -1.034 2.631 375 HA HIS 107 HA HIS 107 6.030 0.298 1.946 376 1HB HIS 107 1HB HIS 107 8.836 1.285 2.735 377 2HB HIS 107 2HB HIS 107 7.632 2.344 2.096 378 HD2 HIS 107 HD2 HIS 107 7.587 -0.363 4.999 379 HE1 HIS 107 HE1 HIS 107 5.342 2.828 6.294 380 HE2 HIS 107 HE2 HIS 107 6.277 0.600 7.068 381 H PHE 108 H PHE 108 5.494 0.056 -0.065 382 HA PHE 108 HA PHE 108 7.435 0.223 -2.401 383 1HB PHE 108 1HB PHE 108 4.372 -0.141 -2.487 384 2HB PHE 108 2HB PHE 108 5.457 -0.228 -3.839 385 HD1 PHE 108 HD1 PHE 108 7.030 -2.214 -4.109 386 HD2 PHE 108 HD2 PHE 108 4.114 -2.064 -0.948 387 HE1 PHE 108 HE1 PHE 108 7.273 -4.634 -3.755 388 HE2 PHE 108 HE2 PHE 108 4.368 -4.489 -0.613 389 HZ PHE 108 HZ PHE 108 5.934 -5.778 -2.013 390 H LYS 109 H LYS 109 7.640 2.075 -3.557 391 HA LYS 109 HA LYS 109 6.208 4.581 -2.672 392 1HB LYS 109 1HB LYS 109 8.352 4.220 -4.854 393 2HB LYS 109 2HB LYS 109 7.588 5.750 -4.450 394 1HG LYS 109 1HG LYS 109 8.403 5.512 -2.046 395 2HG LYS 109 2HG LYS 109 9.297 4.073 -2.511 396 1HD LYS 109 1HD LYS 109 9.693 6.910 -3.658 397 2HD LYS 109 2HD LYS 109 10.688 6.185 -2.417 398 1HE LYS 109 1HE LYS 109 10.482 5.151 -5.331 399 2HE LYS 109 2HE LYS 109 11.753 6.191 -4.701 400 1HZ LYS 109 3HZ LYS 109 12.394 4.421 -3.156 401 2HZ LYS 109 1HZ LYS 109 11.204 3.430 -3.733 402 3HZ LYS 109 2HZ LYS 109 12.449 3.887 -4.719 403 H VAL 110 H VAL 110 4.331 5.052 -3.423 404 HA VAL 110 HA VAL 110 3.287 4.117 -6.142 405 HB VAL 110 HB VAL 110 1.825 5.415 -3.774 406 1HG1 VAL 110 3HG2 VAL 110 0.658 5.985 -5.929 407 2HG1 VAL 110 1HG2 VAL 110 0.634 4.270 -6.397 408 3HG1 VAL 110 2HG2 VAL 110 -0.308 4.836 -4.994 409 1HG2 VAL 110 2HG1 VAL 110 2.463 3.020 -3.275 410 2HG2 VAL 110 3HG1 VAL 110 0.712 3.273 -3.371 411 3HG2 VAL 110 1HG1 VAL 110 1.561 2.489 -4.716 412 H LEU 111 H LEU 111 4.242 5.442 -7.604 413 HA LEU 111 HA LEU 111 4.236 8.465 -7.150 414 1HB LEU 111 1HB LEU 111 5.743 8.620 -9.076 415 2HB LEU 111 2HB LEU 111 6.420 7.841 -7.687 416 HG LEU 111 HG LEU 111 5.244 5.959 -9.755 417 1HD1 LEU 111 1HD2 LEU 111 6.397 7.660 -11.223 418 2HD1 LEU 111 2HD2 LEU 111 7.901 7.478 -10.286 419 3HD1 LEU 111 3HD2 LEU 111 7.271 6.116 -11.247 420 1HD2 LEU 111 2HD1 LEU 111 6.390 5.025 -7.744 421 2HD2 LEU 111 3HD1 LEU 111 7.239 4.567 -9.227 422 3HD2 LEU 111 1HD1 LEU 111 7.900 5.853 -8.183 423 H ARG 112 H ARG 112 3.096 9.803 -8.455 424 HA ARG 112 HA ARG 112 0.942 8.507 -10.162 425 1HB ARG 112 1HB ARG 112 0.979 11.373 -9.070 426 2HB ARG 112 2HB ARG 112 -0.285 10.642 -10.048 427 1HG ARG 112 1HG ARG 112 -0.449 8.802 -8.165 428 2HG ARG 112 2HG ARG 112 0.491 9.897 -7.169 429 1HD ARG 112 1HD ARG 112 -2.250 10.457 -8.477 430 2HD ARG 112 2HD ARG 112 -1.965 10.069 -6.782 431 HE ARG 112 HE ARG 112 -0.457 12.500 -7.493 432 1HH1 ARG 112 2HH2 ARG 112 -3.774 11.415 -6.807 433 2HH1 ARG 112 1HH2 ARG 112 -4.241 13.117 -6.303 434 1HH2 ARG 112 1HH1 ARG 112 -1.100 14.396 -6.898 435 2HH2 ARG 112 2HH1 ARG 112 -2.827 14.689 -6.352 436 H ASP 113 H ASP 113 0.799 8.789 -12.289 437 HA ASP 113 HA ASP 113 2.887 10.349 -13.776 438 1HB ASP 113 1HB ASP 113 2.011 9.431 -15.875 439 2HB ASP 113 2HB ASP 113 2.608 8.260 -14.744 440 H GLY 114 H GLY 114 -0.713 10.388 -14.156 441 1HA GLY 114 1HA GLY 114 -0.523 13.213 -15.272 442 2HA GLY 114 2HA GLY 114 -1.910 12.149 -15.349 443 H ALA 115 H ALA 115 -3.532 12.771 -14.085 444 HA ALA 115 HA ALA 115 -3.133 14.763 -11.839 445 1HB ALA 115 2HB ALA 115 -4.858 15.285 -13.514 446 2HB ALA 115 3HB ALA 115 -5.732 13.775 -13.157 447 3HB ALA 115 1HB ALA 115 -5.600 15.045 -11.918 448 H GLY 116 H GLY 116 -5.514 12.098 -11.836 449 1HA GLY 116 1HA GLY 116 -4.325 11.023 -9.191 450 2HA GLY 116 2HA GLY 116 -6.018 10.914 -9.625 451 H LYS 117 H LYS 117 -2.789 9.943 -10.732 452 HA LYS 117 HA LYS 117 -3.958 7.371 -11.982 453 1HB LYS 117 1HB LYS 117 -1.690 9.097 -13.145 454 2HB LYS 117 2HB LYS 117 -2.256 7.578 -13.796 455 1HG LYS 117 1HG LYS 117 -3.901 10.178 -13.687 456 2HG LYS 117 2HG LYS 117 -2.987 9.589 -15.064 457 1HD LYS 117 1HD LYS 117 -4.458 7.499 -15.153 458 2HD LYS 117 2HD LYS 117 -5.378 8.124 -13.793 459 1HE LYS 117 1HE LYS 117 -6.665 8.671 -15.743 460 2HE LYS 117 2HE LYS 117 -5.996 10.196 -15.171 461 1HZ LYS 117 1HZ LYS 117 -4.910 8.560 -17.424 462 2HZ LYS 117 2HZ LYS 117 -5.778 9.958 -17.570 463 3HZ LYS 117 3HZ LYS 117 -4.266 9.991 -16.905 464 H TYR 118 H TYR 118 -3.453 6.536 -9.913 465 HA TYR 118 HA TYR 118 -0.741 6.618 -8.755 466 1HB TYR 118 1HB TYR 118 -3.152 4.813 -7.992 467 2HB TYR 118 2HB TYR 118 -1.732 5.035 -7.030 468 HD1 TYR 118 HD1 TYR 118 -4.741 6.875 -8.383 469 HD2 TYR 118 HD2 TYR 118 -1.674 6.790 -5.358 470 HE1 TYR 118 HE1 TYR 118 -5.933 8.595 -7.114 471 HE2 TYR 118 HE2 TYR 118 -2.923 8.456 -4.070 472 HH TYR 118 HH TYR 118 -5.969 9.842 -5.275 473 H PHE 119 H PHE 119 0.928 5.405 -9.302 474 HA PHE 119 HA PHE 119 0.513 2.500 -10.100 475 1HB PHE 119 1HB PHE 119 1.541 2.502 -12.108 476 2HB PHE 119 2HB PHE 119 0.570 3.932 -12.185 477 HD1 PHE 119 HD1 PHE 119 1.667 6.261 -12.051 478 HD2 PHE 119 HD2 PHE 119 3.946 2.631 -12.366 479 HE1 PHE 119 HE1 PHE 119 3.624 7.541 -12.834 480 HE2 PHE 119 HE2 PHE 119 5.877 3.922 -13.203 481 HZ PHE 119 HZ PHE 119 5.708 6.376 -13.453 482 H LEU 120 H LEU 120 1.757 1.266 -8.950 483 HA LEU 120 HA LEU 120 4.542 2.191 -8.105 484 1HB LEU 120 1HB LEU 120 4.632 1.038 -6.126 485 2HB LEU 120 2HB LEU 120 3.181 1.962 -6.118 486 HG LEU 120 HG LEU 120 2.721 0.062 -4.922 487 1HD1 LEU 120 3HD1 LEU 120 0.831 0.617 -6.456 488 2HD1 LEU 120 1HD1 LEU 120 1.392 -0.616 -7.610 489 3HD1 LEU 120 2HD1 LEU 120 0.842 -1.094 -5.986 490 1HD2 LEU 120 3HD2 LEU 120 4.659 -1.369 -5.706 491 2HD2 LEU 120 1HD2 LEU 120 3.153 -2.239 -5.386 492 3HD2 LEU 120 2HD2 LEU 120 3.654 -1.930 -7.056 493 H TRP 121 H TRP 121 2.640 -0.526 -9.367 494 HA TRP 121 HA TRP 121 5.026 -2.309 -9.716 495 1HB TRP 121 1HB TRP 121 2.877 -3.174 -8.891 496 2HB TRP 121 2HB TRP 121 2.021 -2.599 -10.298 497 HD1 TRP 121 HD1 TRP 121 4.927 -5.191 -9.509 498 HE1 TRP 121 HE1 TRP 121 4.552 -7.396 -10.898 499 HE3 TRP 121 HE3 TRP 121 0.881 -3.537 -12.160 500 HZ2 TRP 121 HZ2 TRP 121 2.664 -8.156 -12.899 501 HZ3 TRP 121 HZ3 TRP 121 -0.172 -5.059 -13.794 502 HH2 TRP 121 HH2 TRP 121 0.699 -7.331 -14.157 503 H VAL 122 H VAL 122 2.590 -1.815 -12.275 504 HA VAL 122 HA VAL 122 4.530 -0.293 -13.982 505 HB VAL 122 HB VAL 122 4.157 -1.665 -16.049 506 1HG1 VAL 122 3HG2 VAL 122 6.352 -1.615 -14.858 507 2HG1 VAL 122 1HG2 VAL 122 5.884 -3.059 -13.926 508 3HG1 VAL 122 2HG2 VAL 122 6.068 -3.154 -15.692 509 1HG2 VAL 122 2HG1 VAL 122 2.313 -3.241 -15.331 510 2HG2 VAL 122 3HG1 VAL 122 3.731 -4.091 -15.958 511 3HG2 VAL 122 1HG1 VAL 122 3.446 -4.028 -14.207 512 H VAL 123 H VAL 123 1.286 -1.847 -14.250 513 HA VAL 123 HA VAL 123 0.342 0.413 -15.914 514 HB VAL 123 HB VAL 123 -0.327 -1.942 -16.312 515 1HG1 VAL 123 2HG1 VAL 123 -0.809 -2.722 -13.943 516 2HG1 VAL 123 3HG1 VAL 123 -2.283 -1.730 -13.941 517 3HG1 VAL 123 1HG1 VAL 123 -2.121 -3.086 -15.082 518 1HG2 VAL 123 2HG2 VAL 123 -1.611 -0.066 -17.329 519 2HG2 VAL 123 3HG2 VAL 123 -2.629 -1.489 -17.033 520 3HG2 VAL 123 1HG2 VAL 123 -2.743 -0.076 -15.955 521 H LYS 124 H LYS 124 -1.031 2.033 -15.421 522 HA LYS 124 HA LYS 124 -1.188 2.848 -12.555 523 1HB LYS 124 1HB LYS 124 -1.625 5.029 -13.241 524 2HB LYS 124 2HB LYS 124 -0.456 4.441 -14.383 525 1HG LYS 124 1HG LYS 124 -3.474 4.867 -14.878 526 2HG LYS 124 2HG LYS 124 -2.165 5.919 -15.387 527 1HD LYS 124 1HD LYS 124 -1.270 4.097 -16.905 528 2HD LYS 124 2HD LYS 124 -2.632 3.066 -16.443 529 1HE LYS 124 1HE LYS 124 -4.261 4.799 -17.334 530 2HE LYS 124 2HE LYS 124 -2.904 5.833 -17.806 531 1HZ LYS 124 1HZ LYS 124 -2.140 4.051 -19.290 532 2HZ LYS 124 2HZ LYS 124 -3.406 3.086 -18.850 533 3HZ LYS 124 3HZ LYS 124 -3.686 4.498 -19.660 534 H PHE 125 H PHE 125 -2.974 3.726 -11.552 535 HA PHE 125 HA PHE 125 -5.651 2.335 -12.121 536 1HB PHE 125 1HB PHE 125 -4.358 2.368 -9.329 537 2HB PHE 125 2HB PHE 125 -5.819 1.557 -9.819 538 HD1 PHE 125 HD1 PHE 125 -5.550 -0.430 -11.601 539 HD2 PHE 125 HD2 PHE 125 -2.271 1.195 -9.334 540 HE1 PHE 125 HE1 PHE 125 -4.205 -2.438 -12.069 541 HE2 PHE 125 HE2 PHE 125 -0.963 -0.828 -9.780 542 HZ PHE 125 HZ PHE 125 -1.909 -2.638 -11.163 543 H ASN 126 H ASN 126 -7.174 3.860 -12.047 544 HA ASN 126 HA ASN 126 -6.625 6.600 -11.428 545 1HB ASN 126 1HB ASN 126 -9.389 5.288 -11.749 546 2HB ASN 126 2HB ASN 126 -9.141 7.010 -11.632 547 1HD2 ASN 126 1HD2 ASN 126 -8.456 5.286 -15.249 548 2HD2 ASN 126 2HD2 ASN 126 -8.928 4.305 -13.772 549 H SER 127 H SER 127 -8.282 4.303 -9.253 550 HA SER 127 HA SER 127 -8.315 6.470 -7.063 551 1HB SER 127 1HB SER 127 -10.361 4.196 -7.565 552 2HB SER 127 2HB SER 127 -10.389 5.303 -6.192 553 HG SER 127 HG SER 127 -10.538 7.034 -7.663 554 H LEU 128 H LEU 128 -8.192 5.751 -4.917 555 HA LEU 128 HA LEU 128 -6.457 3.308 -4.388 556 1HB LEU 128 1HB LEU 128 -7.419 5.477 -2.459 557 2HB LEU 128 2HB LEU 128 -6.488 4.071 -1.979 558 HG LEU 128 HG LEU 128 -5.511 6.168 -4.000 559 1HD1 LEU 128 3HD2 LEU 128 -5.750 7.146 -1.701 560 2HD1 LEU 128 1HD2 LEU 128 -4.759 5.834 -1.018 561 3HD1 LEU 128 2HD2 LEU 128 -4.040 7.009 -2.148 562 1HD2 LEU 128 2HD1 LEU 128 -4.029 3.779 -2.739 563 2HD2 LEU 128 3HD1 LEU 128 -4.324 4.084 -4.465 564 3HD2 LEU 128 1HD1 LEU 128 -3.205 5.123 -3.573 565 H ASN 129 H ASN 129 -7.858 1.844 -4.998 566 HA ASN 129 HA ASN 129 -9.686 0.390 -3.426 567 1HB ASN 129 1HB ASN 129 -11.311 2.304 -3.433 568 2HB ASN 129 2HB ASN 129 -11.316 2.328 -5.180 569 1HD2 ASN 129 1HD2 ASN 129 -13.541 -0.525 -3.178 570 2HD2 ASN 129 2HD2 ASN 129 -12.268 0.477 -2.316 571 H GLU 130 H GLU 130 -9.522 1.728 -6.787 572 HA GLU 130 HA GLU 130 -9.601 -0.821 -8.257 573 1HB GLU 130 1HB GLU 130 -8.361 1.910 -8.995 574 2HB GLU 130 2HB GLU 130 -8.457 0.561 -10.112 575 1HG GLU 130 1HG GLU 130 -10.910 0.580 -10.129 576 2HG GLU 130 2HG GLU 130 -10.980 1.749 -8.814 577 H LEU 131 H LEU 131 -6.816 1.142 -7.079 578 HA LEU 131 HA LEU 131 -4.681 -0.679 -7.879 579 1HB LEU 131 1HB LEU 131 -4.466 1.736 -7.163 580 2HB LEU 131 2HB LEU 131 -4.782 1.316 -5.505 581 HG LEU 131 HG LEU 131 -2.394 0.092 -7.023 582 1HD1 LEU 131 2HD1 LEU 131 -2.234 2.560 -7.323 583 2HD1 LEU 131 3HD1 LEU 131 -2.418 2.823 -5.573 584 3HD1 LEU 131 1HD1 LEU 131 -0.975 2.004 -6.214 585 1HD2 LEU 131 3HD2 LEU 131 -2.815 0.657 -4.006 586 2HD2 LEU 131 1HD2 LEU 131 -2.782 -0.946 -4.778 587 3HD2 LEU 131 2HD2 LEU 131 -1.316 0.032 -4.736 588 H VAL 132 H VAL 132 -6.419 -0.510 -4.746 589 HA VAL 132 HA VAL 132 -4.919 -2.712 -3.575 590 HB VAL 132 HB VAL 132 -6.110 -2.653 -1.661 591 1HG1 VAL 132 2HG1 VAL 132 -4.969 -0.476 -1.997 592 2HG1 VAL 132 3HG1 VAL 132 -6.457 0.229 -2.686 593 3HG1 VAL 132 1HG1 VAL 132 -6.422 -0.274 -0.986 594 1HG2 VAL 132 2HG2 VAL 132 -8.634 -1.491 -2.951 595 2HG2 VAL 132 3HG2 VAL 132 -8.424 -3.109 -2.254 596 3HG2 VAL 132 1HG2 VAL 132 -8.365 -1.704 -1.201 597 H ASP 133 H ASP 133 -8.166 -2.711 -5.028 598 HA ASP 133 HA ASP 133 -8.670 -5.510 -4.546 599 1HB ASP 133 1HB ASP 133 -10.426 -3.720 -4.929 600 2HB ASP 133 2HB ASP 133 -10.033 -3.700 -6.640 601 H TYR 134 H TYR 134 -7.151 -3.873 -7.386 602 HA TYR 134 HA TYR 134 -6.974 -6.255 -9.129 603 1HB TYR 134 1HB TYR 134 -6.687 -3.979 -10.044 604 2HB TYR 134 2HB TYR 134 -5.303 -3.671 -9.028 605 HD1 TYR 134 HD2 TYR 134 -6.491 -5.608 -12.010 606 HD2 TYR 134 HD1 TYR 134 -3.080 -4.621 -9.581 607 HE1 TYR 134 HE2 TYR 134 -4.993 -6.571 -13.701 608 HE2 TYR 134 HE1 TYR 134 -1.597 -5.573 -11.272 609 HH TYR 134 HH TYR 134 -1.458 -6.591 -13.254 610 H HIS 135 H HIS 135 -4.564 -4.760 -6.886 611 HA HIS 135 HA HIS 135 -2.814 -7.127 -7.015 612 1HB HIS 135 1HB HIS 135 -2.637 -4.669 -5.196 613 2HB HIS 135 2HB HIS 135 -1.499 -6.000 -5.136 614 HD2 HIS 135 HD2 HIS 135 -1.379 -2.724 -6.472 615 HE1 HIS 135 HE1 HIS 135 0.630 -4.884 -9.383 616 HE2 HIS 135 HE2 HIS 135 0.225 -2.482 -8.562 617 H ARG 136 H ARG 136 -5.627 -6.811 -5.230 618 HA ARG 136 HA ARG 136 -5.098 -8.569 -2.971 619 1HB ARG 136 1HB ARG 136 -7.170 -7.122 -3.619 620 2HB ARG 136 2HB ARG 136 -7.696 -8.433 -4.640 621 1HG ARG 136 1HG ARG 136 -8.216 -9.830 -2.798 622 2HG ARG 136 2HG ARG 136 -7.090 -9.065 -1.701 623 1HD ARG 136 1HD ARG 136 -9.658 -7.696 -2.756 624 2HD ARG 136 2HD ARG 136 -9.545 -8.576 -1.234 625 HE ARG 136 HE ARG 136 -7.715 -6.162 -1.763 626 1HH1 ARG 136 2HH2 ARG 136 -10.271 -7.594 0.253 627 2HH1 ARG 136 1HH2 ARG 136 -10.129 -6.197 1.434 628 1HH2 ARG 136 1HH1 ARG 136 -7.638 -4.640 -0.360 629 2HH2 ARG 136 2HH1 ARG 136 -8.739 -4.639 1.109 630 H SER 137 H SER 137 -5.335 -9.321 -6.383 631 HA SER 137 HA SER 137 -4.809 -12.249 -5.843 632 1HB SER 137 1HB SER 137 -6.295 -11.118 -8.297 633 2HB SER 137 2HB SER 137 -5.762 -12.793 -8.115 634 HG SER 137 HG SER 137 -7.902 -12.493 -7.488 635 H THR 138 H THR 138 -3.849 -9.363 -7.716 636 HA THR 138 HA THR 138 -1.553 -10.860 -9.028 637 HB THR 138 HB THR 138 -2.371 -7.897 -9.307 638 HG1 THR 138 HG1 THR 138 -2.852 -10.140 -10.965 639 1HG2 THR 138 3HG2 THR 138 -0.448 -9.616 -11.017 640 2HG2 THR 138 1HG2 THR 138 -1.077 -8.026 -11.497 641 3HG2 THR 138 2HG2 THR 138 -0.025 -8.157 -10.081 642 H SER 139 H SER 139 0.646 -10.252 -8.682 643 HA SER 139 HA SER 139 1.263 -9.536 -5.853 644 1HB SER 139 1HB SER 139 2.416 -11.403 -7.055 645 2HB SER 139 2HB SER 139 3.208 -10.239 -8.129 646 HG SER 139 HG SER 139 4.076 -9.256 -6.244 647 H VAL 140 H VAL 140 1.945 -7.643 -5.066 648 HA VAL 140 HA VAL 140 2.354 -5.194 -6.667 649 HB VAL 140 HB VAL 140 3.328 -4.317 -4.380 650 1HG1 VAL 140 2HG1 VAL 140 1.177 -3.595 -5.369 651 2HG1 VAL 140 3HG1 VAL 140 0.357 -4.953 -4.561 652 3HG1 VAL 140 1HG1 VAL 140 1.125 -3.668 -3.603 653 1HG2 VAL 140 3HG2 VAL 140 3.598 -6.459 -3.147 654 2HG2 VAL 140 1HG2 VAL 140 2.525 -5.321 -2.306 655 3HG2 VAL 140 2HG2 VAL 140 1.833 -6.703 -3.177 656 H SER 141 H SER 141 4.648 -7.418 -5.005 657 HA SER 141 HA SER 141 7.038 -5.864 -5.920 658 1HB SER 141 1HB SER 141 6.972 -7.080 -3.716 659 2HB SER 141 2HB SER 141 6.899 -8.621 -4.562 660 HG SER 141 HG SER 141 8.888 -8.058 -5.556 661 H ARG 142 H ARG 142 5.368 -8.781 -7.118 662 HA ARG 142 HA ARG 142 5.420 -9.687 -9.223 663 1HB ARG 142 1HB ARG 142 6.492 -7.466 -10.085 664 2HB ARG 142 2HB ARG 142 7.995 -8.357 -10.180 665 1HG ARG 142 1HG ARG 142 6.911 -10.031 -11.742 666 2HG ARG 142 2HG ARG 142 5.353 -9.231 -11.522 667 1HD ARG 142 1HD ARG 142 6.441 -7.065 -12.459 668 2HD ARG 142 2HD ARG 142 7.843 -8.039 -12.906 669 HE ARG 142 HE ARG 142 5.926 -9.533 -14.176 670 1HH1 ARG 142 2HH2 ARG 142 6.138 -5.982 -14.068 671 2HH1 ARG 142 1HH2 ARG 142 5.230 -5.871 -15.659 672 1HH2 ARG 142 1HH1 ARG 142 4.904 -9.282 -15.974 673 2HH2 ARG 142 2HH1 ARG 142 4.581 -7.612 -16.662 674 H ASN 143 H ASN 143 8.869 -9.541 -8.213 675 HA ASN 143 HA ASN 143 9.284 -12.455 -8.668 676 1HB ASN 143 1HB ASN 143 11.052 -10.433 -7.170 677 2HB ASN 143 2HB ASN 143 11.479 -12.109 -7.407 678 1HD2 ASN 143 1HD2 ASN 143 12.447 -11.640 -10.859 679 2HD2 ASN 143 2HD2 ASN 143 11.972 -12.851 -9.565 680 H GLN 144 H GLN 144 9.077 -10.524 -5.619 681 HA GLN 144 HA GLN 144 8.541 -12.988 -3.961 682 1HB GLN 144 1HB GLN 144 8.373 -10.004 -3.192 683 2HB GLN 144 2HB GLN 144 8.128 -11.350 -2.090 684 1HG GLN 144 1HG GLN 144 10.486 -12.126 -2.429 685 2HG GLN 144 2HG GLN 144 10.785 -10.815 -3.561 686 1HE2 GLN 144 2HE2 GLN 144 11.132 -8.340 -0.931 687 2HE2 GLN 144 1HE2 GLN 144 10.912 -8.646 -2.726 688 H GLN 145 H GLN 145 6.558 -13.632 -3.256 689 HA GLN 145 HA GLN 145 4.086 -12.529 -4.603 690 1HB GLN 145 1HB GLN 145 4.537 -14.933 -4.618 691 2HB GLN 145 2HB GLN 145 4.519 -15.040 -2.873 692 1HG GLN 145 1HG GLN 145 2.061 -14.076 -4.497 693 2HG GLN 145 2HG GLN 145 2.429 -15.773 -4.299 694 1HE2 GLN 145 2HE2 GLN 145 0.484 -14.023 -1.237 695 2HE2 GLN 145 1HE2 GLN 145 0.794 -13.207 -2.851 696 H ILE 146 H ILE 146 3.250 -10.790 -3.665 697 HA ILE 146 HA ILE 146 2.445 -10.929 -0.744 698 HB ILE 146 HB ILE 146 3.589 -8.355 -1.911 699 1HG1 ILE 146 1HG1 ILE 146 4.967 -8.636 0.429 700 2HG1 ILE 146 2HG1 ILE 146 4.634 -10.335 0.190 701 1HG2 ILE 146 3HG2 ILE 146 2.190 -8.795 0.801 702 2HG2 ILE 146 1HG2 ILE 146 3.083 -7.329 0.337 703 3HG2 ILE 146 2HG2 ILE 146 1.615 -7.788 -0.535 704 1HD1 ILE 146 1HD1 ILE 146 6.089 -8.453 -1.787 705 2HD1 ILE 146 2HD1 ILE 146 6.848 -9.669 -0.722 706 3HD1 ILE 146 3HD1 ILE 146 5.821 -10.188 -2.073 707 H PHE 147 H PHE 147 0.332 -10.840 -0.711 708 HA PHE 147 HA PHE 147 -1.257 -9.310 -2.856 709 1HB PHE 147 1HB PHE 147 -2.193 -11.795 -1.345 710 2HB PHE 147 2HB PHE 147 -3.182 -10.841 -2.421 711 HD1 PHE 147 HD2 PHE 147 -0.521 -10.721 -4.552 712 HD2 PHE 147 HD1 PHE 147 -2.976 -13.719 -2.666 713 HE1 PHE 147 HE2 PHE 147 0.120 -12.340 -6.269 714 HE2 PHE 147 HE1 PHE 147 -2.356 -15.309 -4.432 715 HZ PHE 147 HZ PHE 147 -0.787 -14.636 -6.217 716 H LEU 148 H LEU 148 -2.866 -8.036 -2.205 717 HA LEU 148 HA LEU 148 -2.497 -6.821 0.498 718 1HB LEU 148 1HB LEU 148 -3.772 -5.971 -2.161 719 2HB LEU 148 2HB LEU 148 -4.247 -5.134 -0.725 720 HG LEU 148 HG LEU 148 -1.920 -4.490 -0.177 721 1HD1 LEU 148 3HD1 LEU 148 -1.100 -5.805 -2.844 722 2HD1 LEU 148 1HD1 LEU 148 -0.083 -4.709 -1.867 723 3HD1 LEU 148 2HD1 LEU 148 -0.559 -6.280 -1.217 724 1HD2 LEU 148 3HD2 LEU 148 -3.402 -2.976 -1.505 725 2HD2 LEU 148 1HD2 LEU 148 -1.711 -2.779 -1.989 726 3HD2 LEU 148 2HD2 LEU 148 -2.822 -3.703 -3.024 727 H ARG 149 H ARG 149 -3.726 -7.140 2.207 728 HA ARG 149 HA ARG 149 -6.743 -7.612 1.944 729 1HB ARG 149 1HB ARG 149 -4.737 -9.012 3.812 730 2HB ARG 149 2HB ARG 149 -6.288 -8.590 4.470 731 1HG ARG 149 1HG ARG 149 -6.444 -10.845 3.746 732 2HG ARG 149 2HG ARG 149 -7.530 -9.855 2.799 733 1HD ARG 149 1HD ARG 149 -6.561 -11.515 1.365 734 2HD ARG 149 2HD ARG 149 -5.966 -9.948 0.832 735 HE ARG 149 HE ARG 149 -3.889 -10.753 2.542 736 1HH1 ARG 149 2HH2 ARG 149 -5.482 -12.471 -0.131 737 2HH1 ARG 149 1HH2 ARG 149 -3.973 -13.482 -0.393 738 1HH2 ARG 149 1HH1 ARG 149 -2.239 -11.952 2.162 739 2HH2 ARG 149 2HH1 ARG 149 -2.258 -13.205 0.822 740 H ASP 150 H ASP 150 -7.948 -6.279 3.155 741 HA ASP 150 HA ASP 150 -6.731 -3.740 3.983 742 1HB ASP 150 1HB ASP 150 -8.921 -2.854 4.413 743 2HB ASP 150 2HB ASP 150 -8.897 -3.727 2.906 744 H ILE 151 H ILE 151 -6.619 -2.677 5.911 745 HA ILE 151 HA ILE 151 -5.858 -4.294 8.231 746 HB ILE 151 HB ILE 151 -5.603 -2.052 9.466 747 1HG1 ILE 151 1HG1 ILE 151 -5.972 -0.717 6.731 748 2HG1 ILE 151 2HG1 ILE 151 -7.239 -0.752 7.948 749 1HG2 ILE 151 3HG2 ILE 151 -3.999 -2.629 6.933 750 2HG2 ILE 151 1HG2 ILE 151 -3.483 -1.487 8.198 751 3HG2 ILE 151 2HG2 ILE 151 -3.679 -3.202 8.575 752 1HD1 ILE 151 2HD1 ILE 151 -5.747 0.480 9.580 753 2HD1 ILE 151 3HD1 ILE 151 -4.485 0.583 8.323 754 3HD1 ILE 151 1HD1 ILE 151 -6.050 1.389 8.080 755 H GLU 152 H GLU 152 -6.536 -4.074 10.405 756 HA GLU 152 HA GLU 152 -9.515 -4.578 10.584 757 1HB GLU 152 1HB GLU 152 -7.807 -6.263 11.390 758 2HB GLU 152 2HB GLU 152 -7.299 -5.143 12.647 759 1HG GLU 152 1HG GLU 152 -9.629 -5.220 13.648 760 2HG GLU 152 2HG GLU 152 -10.156 -6.291 12.351 761 HXT GLU 152 HO OH 153 -7.162 -3.101 12.668 No H/Q in entry = 761 Start of MODEL 4 1 1H GLY 58 1H GLY 58 -12.045 -3.812 8.271 2 2H GLY 58 2H GLY 58 -12.477 -2.241 8.138 3 1HA GLY 58 1HA GLY 58 -10.183 -2.462 8.861 4 2HA GLY 58 2HA GLY 58 -9.841 -3.388 7.404 5 H SER 59 H SER 59 -9.970 -0.295 8.718 6 HA SER 59 HA SER 59 -10.442 1.262 6.224 7 1HB SER 59 1HB SER 59 -11.155 2.102 8.451 8 2HB SER 59 2HB SER 59 -9.473 2.223 8.983 9 HG SER 59 HG SER 59 -10.644 3.534 6.749 10 H TRP 60 H TRP 60 -8.954 1.073 4.702 11 HA TRP 60 HA TRP 60 -6.041 0.862 5.196 12 1HB TRP 60 1HB TRP 60 -5.684 0.781 2.796 13 2HB TRP 60 2HB TRP 60 -6.785 -0.420 3.406 14 HD1 TRP 60 HD1 TRP 60 -9.393 -0.270 2.703 15 HE1 TRP 60 HE1 TRP 60 -10.725 0.868 0.706 16 HE3 TRP 60 HE3 TRP 60 -5.676 2.902 1.292 17 HZ2 TRP 60 HZ2 TRP 60 -10.049 2.960 -1.141 18 HZ3 TRP 60 HZ3 TRP 60 -6.101 4.517 -0.534 19 HH2 TRP 60 HH2 TRP 60 -8.253 4.549 -1.720 20 H PHE 61 H PHE 61 -8.052 3.561 3.874 21 HA PHE 61 HA PHE 61 -5.609 5.219 3.507 22 1HB PHE 61 1HB PHE 61 -7.671 5.310 1.968 23 2HB PHE 61 2HB PHE 61 -8.519 6.178 3.214 24 HD1 PHE 61 HD1 PHE 61 -5.380 6.257 1.088 25 HD2 PHE 61 HD2 PHE 61 -8.135 8.602 3.422 26 HE1 PHE 61 HE1 PHE 61 -4.258 8.315 0.365 27 HE2 PHE 61 HE2 PHE 61 -7.004 10.654 2.672 28 HZ PHE 61 HZ PHE 61 -5.066 10.519 1.145 29 H PHE 62 H PHE 62 -4.809 6.644 4.814 30 HA PHE 62 HA PHE 62 -6.332 7.663 7.278 31 1HB PHE 62 1HB PHE 62 -3.361 6.973 7.158 32 2HB PHE 62 2HB PHE 62 -4.096 7.898 8.439 33 HD1 PHE 62 HD1 PHE 62 -5.686 6.833 10.070 34 HD2 PHE 62 HD2 PHE 62 -3.870 4.502 6.949 35 HE1 PHE 62 HE1 PHE 62 -6.418 4.762 11.180 36 HE2 PHE 62 HE2 PHE 62 -4.623 2.435 8.068 37 HZ PHE 62 HZ PHE 62 -5.897 2.563 10.177 38 H GLY 63 H GLY 63 -3.497 8.544 5.212 39 1HA GLY 63 1HA GLY 63 -3.615 10.490 3.707 40 2HA GLY 63 2HA GLY 63 -4.813 11.259 4.718 41 H LYS 64 H LYS 64 -1.442 10.571 4.305 42 HA LYS 64 HA LYS 64 0.511 11.579 5.005 43 1HB LYS 64 1HB LYS 64 -0.867 13.635 4.232 44 2HB LYS 64 2HB LYS 64 -1.064 14.036 5.930 45 1HG LYS 64 1HG LYS 64 1.500 14.099 6.142 46 2HG LYS 64 2HG LYS 64 1.621 13.689 4.430 47 1HD LYS 64 1HD LYS 64 0.247 15.826 3.909 48 2HD LYS 64 2HD LYS 64 0.355 16.237 5.623 49 1HE LYS 64 1HE LYS 64 2.925 16.207 5.416 50 2HE LYS 64 2HE LYS 64 2.744 15.869 3.685 51 1HZ LYS 64 3HZ LYS 64 1.546 17.972 3.447 52 2HZ LYS 64 1HZ LYS 64 1.702 18.295 5.060 53 3HZ LYS 64 2HZ LYS 64 3.043 18.226 4.097 54 H ILE 65 H ILE 65 0.465 9.804 6.488 55 HA ILE 65 HA ILE 65 0.854 10.782 9.357 56 HB ILE 65 HB ILE 65 0.318 8.634 10.287 57 1HG1 ILE 65 1HG1 ILE 65 -0.715 7.623 7.583 58 2HG1 ILE 65 2HG1 ILE 65 0.857 7.192 8.242 59 1HG2 ILE 65 2HG2 ILE 65 -1.451 10.399 10.112 60 2HG2 ILE 65 3HG2 ILE 65 -2.053 9.651 8.613 61 3HG2 ILE 65 1HG2 ILE 65 -2.134 8.764 10.154 62 1HD1 ILE 65 3HD1 ILE 65 -0.212 6.188 10.291 63 2HD1 ILE 65 1HD1 ILE 65 -1.823 6.520 9.596 64 3HD1 ILE 65 2HD1 ILE 65 -0.713 5.397 8.779 65 HA PRO 66 HA PRO 66 5.119 9.655 8.644 66 1HB PRO 66 1HB PRO 66 6.131 9.244 11.203 67 2HB PRO 66 2HB PRO 66 5.616 10.816 10.573 68 1HG PRO 66 1HG PRO 66 4.005 8.893 12.321 69 2HG PRO 66 2HG PRO 66 4.253 10.639 12.564 70 1HD PRO 66 1HD PRO 66 1.976 9.642 11.360 71 2HD PRO 66 2HD PRO 66 2.669 11.203 10.829 72 H ARG 67 H ARG 67 6.737 8.046 8.723 73 HA ARG 67 HA ARG 67 5.738 5.412 8.050 74 1HB ARG 67 1HB ARG 67 7.881 6.658 7.199 75 2HB ARG 67 2HB ARG 67 8.699 6.042 8.617 76 1HG ARG 67 1HG ARG 67 7.971 3.656 7.872 77 2HG ARG 67 2HG ARG 67 7.316 4.399 6.414 78 1HD ARG 67 1HD ARG 67 9.603 5.204 5.753 79 2HD ARG 67 2HD ARG 67 10.282 4.543 7.258 80 HE ARG 67 HE ARG 67 8.850 2.392 5.886 81 1HH1 ARG 67 2HH2 ARG 67 11.825 4.299 5.505 82 2HH1 ARG 67 1HH2 ARG 67 12.626 2.899 4.629 83 1HH2 ARG 67 1HH1 ARG 67 9.855 0.867 4.882 84 2HH2 ARG 67 2HH1 ARG 67 11.582 1.086 4.302 85 H ALA 68 H ALA 68 7.329 6.459 11.021 86 HA ALA 68 HA ALA 68 7.811 3.763 12.152 87 1HB ALA 68 2HB ALA 68 9.165 5.702 12.909 88 2HB ALA 68 3HB ALA 68 7.728 6.468 13.635 89 3HB ALA 68 1HB ALA 68 8.353 4.933 14.285 90 H LYS 69 H LYS 69 5.169 6.148 12.825 91 HA LYS 69 HA LYS 69 3.647 4.293 14.563 92 1HB LYS 69 1HB LYS 69 2.644 6.752 13.007 93 2HB LYS 69 2HB LYS 69 1.648 5.785 14.084 94 1HG LYS 69 1HG LYS 69 3.331 6.253 15.977 95 2HG LYS 69 2HG LYS 69 4.113 7.424 14.926 96 1HD LYS 69 1HD LYS 69 1.150 7.494 15.816 97 2HD LYS 69 2HD LYS 69 2.458 8.385 16.584 98 1HE LYS 69 1HE LYS 69 2.866 9.696 14.465 99 2HE LYS 69 2HE LYS 69 1.566 8.810 13.652 100 1HZ LYS 69 3HZ LYS 69 0.007 9.698 15.306 101 2HZ LYS 69 1HZ LYS 69 1.220 10.532 16.057 102 3HZ LYS 69 2HZ LYS 69 0.785 10.920 14.511 103 H ALA 70 H ALA 70 3.724 4.670 11.041 104 HA ALA 70 HA ALA 70 1.379 2.881 10.527 105 1HB ALA 70 2HB ALA 70 2.084 4.505 8.779 106 2HB ALA 70 3HB ALA 70 3.676 3.720 8.631 107 3HB ALA 70 1HB ALA 70 2.202 2.850 8.150 108 H GLU 71 H GLU 71 4.917 2.331 10.626 109 HA GLU 71 HA GLU 71 4.820 -0.565 10.109 110 1HB GLU 71 1HB GLU 71 6.946 1.205 11.473 111 2HB GLU 71 2HB GLU 71 7.181 -0.512 11.193 112 1HG GLU 71 1HG GLU 71 6.986 -0.244 8.739 113 2HG GLU 71 2HG GLU 71 6.598 1.459 8.896 114 H GLU 72 H GLU 72 4.847 1.242 13.225 115 HA GLU 72 HA GLU 72 4.824 -1.090 14.968 116 1HB GLU 72 1HB GLU 72 3.858 1.788 15.451 117 2HB GLU 72 2HB GLU 72 3.857 0.565 16.710 118 1HG GLU 72 1HG GLU 72 6.303 0.282 16.615 119 2HG GLU 72 2HG GLU 72 6.440 1.342 15.221 120 H MET 73 H MET 73 2.025 0.846 13.752 121 HA MET 73 HA MET 73 -0.014 -0.802 15.119 122 1HB MET 73 1HB MET 73 -0.174 1.294 12.874 123 2HB MET 73 2HB MET 73 -1.571 0.337 13.297 124 1HG MET 73 1HG MET 73 -1.747 2.403 14.495 125 2HG MET 73 2HG MET 73 -1.498 1.123 15.680 126 1HE MET 73 3HE MET 73 0.918 0.748 16.975 127 2HE MET 73 2HE MET 73 1.597 2.286 17.578 128 3HE MET 73 1HE MET 73 -0.153 1.954 17.754 129 H LEU 74 H LEU 74 1.247 -0.942 11.758 130 HA LEU 74 HA LEU 74 -0.499 -3.176 10.942 131 1HB LEU 74 1HB LEU 74 2.155 -2.193 9.748 132 2HB LEU 74 2HB LEU 74 1.178 -3.462 9.044 133 HG LEU 74 HG LEU 74 0.271 -0.552 9.358 134 1HD1 LEU 74 1HD2 LEU 74 1.216 -2.205 6.929 135 2HD1 LEU 74 2HD2 LEU 74 0.473 -0.599 6.814 136 3HD1 LEU 74 3HD2 LEU 74 2.023 -0.790 7.651 137 1HD2 LEU 74 1HD1 LEU 74 -1.233 -2.966 8.161 138 2HD2 LEU 74 2HD1 LEU 74 -1.760 -1.902 9.479 139 3HD2 LEU 74 3HD1 LEU 74 -1.665 -1.272 7.827 140 H SER 75 H SER 75 2.854 -3.238 12.252 141 HA SER 75 HA SER 75 3.259 -6.108 11.993 142 1HB SER 75 1HB SER 75 5.031 -5.895 13.678 143 2HB SER 75 2HB SER 75 5.125 -4.603 12.489 144 HG SER 75 HG SER 75 3.943 -4.430 15.068 145 H LYS 76 H LYS 76 1.363 -4.370 14.396 146 HA LYS 76 HA LYS 76 0.942 -6.613 16.287 147 1HB LYS 76 1HB LYS 76 -0.725 -4.073 15.791 148 2HB LYS 76 2HB LYS 76 -1.036 -5.213 17.087 149 1HG LYS 76 1HG LYS 76 1.138 -4.763 18.160 150 2HG LYS 76 2HG LYS 76 1.653 -3.745 16.821 151 1HD LYS 76 1HD LYS 76 -0.295 -2.161 17.301 152 2HD LYS 76 2HD LYS 76 -0.703 -3.145 18.713 153 1HE LYS 76 1HE LYS 76 1.640 -2.688 19.660 154 2HE LYS 76 2HE LYS 76 1.988 -1.668 18.254 155 1HZ LYS 76 3HZ LYS 76 0.125 -0.232 18.911 156 2HZ LYS 76 1HZ LYS 76 -0.199 -1.185 20.221 157 3HZ LYS 76 2HZ LYS 76 1.228 -0.357 20.135 158 H GLN 77 H GLN 77 -0.776 -5.693 13.279 159 HA GLN 77 HA GLN 77 -3.142 -7.251 13.616 160 1HB GLN 77 1HB GLN 77 -1.662 -6.113 11.191 161 2HB GLN 77 2HB GLN 77 -2.761 -7.408 10.855 162 1HG GLN 77 1HG GLN 77 -3.994 -5.453 10.518 163 2HG GLN 77 2HG GLN 77 -4.649 -6.256 11.920 164 1HE2 GLN 77 2HE2 GLN 77 -3.384 -2.428 12.327 165 2HE2 GLN 77 1HE2 GLN 77 -3.237 -3.347 10.747 166 H ARG 78 H ARG 78 -3.706 -9.096 13.144 167 HA ARG 78 HA ARG 78 -1.920 -11.485 12.998 168 1HB ARG 78 1HB ARG 78 -3.899 -12.868 13.036 169 2HB ARG 78 2HB ARG 78 -3.959 -11.683 14.300 170 1HG ARG 78 1HG ARG 78 -5.503 -11.240 11.652 171 2HG ARG 78 2HG ARG 78 -6.116 -12.310 12.899 172 1HD ARG 78 1HD ARG 78 -6.060 -10.382 14.587 173 2HD ARG 78 2HD ARG 78 -5.537 -9.311 13.298 174 HE ARG 78 HE ARG 78 -7.707 -9.352 12.266 175 1HH1 ARG 78 2HH2 ARG 78 -7.667 -11.602 15.019 176 2HH1 ARG 78 1HH2 ARG 78 -9.500 -11.688 14.987 177 1HH2 ARG 78 1HH1 ARG 78 -9.776 -9.524 12.322 178 2HH2 ARG 78 2HH1 ARG 78 -10.612 -10.589 13.561 179 H HIS 79 H HIS 79 -3.329 -9.618 10.432 180 HA HIS 79 HA HIS 79 -3.601 -11.866 8.538 181 1HB HIS 79 1HB HIS 79 -3.702 -8.899 7.747 182 2HB HIS 79 2HB HIS 79 -4.382 -10.260 6.908 183 HD2 HIS 79 HD2 HIS 79 -6.611 -11.492 8.166 184 HE1 HIS 79 HE1 HIS 79 -7.517 -8.277 10.630 185 HE2 HIS 79 HE2 HIS 79 -8.493 -10.474 9.738 186 H ASP 80 H ASP 80 -2.209 -12.569 7.058 187 HA ASP 80 HA ASP 80 0.503 -11.282 6.593 188 1HB ASP 80 1HB ASP 80 -0.702 -13.874 5.443 189 2HB ASP 80 2HB ASP 80 0.834 -13.201 4.929 190 H GLY 81 H GLY 81 0.559 -9.661 5.263 191 1HA GLY 81 1HA GLY 81 0.075 -8.527 3.094 192 2HA GLY 81 2HA GLY 81 -1.520 -9.246 3.052 193 H ALA 82 H ALA 82 -0.843 -7.933 6.218 194 HA ALA 82 HA ALA 82 -3.141 -6.222 6.025 195 1HB ALA 82 2HB ALA 82 -2.360 -7.244 8.182 196 2HB ALA 82 3HB ALA 82 -0.998 -6.115 8.245 197 3HB ALA 82 1HB ALA 82 -2.659 -5.511 8.345 198 H PHE 83 H PHE 83 -3.254 -4.395 4.861 199 HA PHE 83 HA PHE 83 -0.787 -2.633 4.592 200 1HB PHE 83 1HB PHE 83 -1.254 -2.280 2.368 201 2HB PHE 83 2HB PHE 83 -1.407 -3.955 2.641 202 HD1 PHE 83 HD1 PHE 83 -3.382 -0.881 1.812 203 HD2 PHE 83 HD2 PHE 83 -3.647 -5.116 2.487 204 HE1 PHE 83 HE1 PHE 83 -5.700 -0.888 0.988 205 HE2 PHE 83 HE2 PHE 83 -5.971 -5.093 1.667 206 HZ PHE 83 HZ PHE 83 -6.996 -2.976 0.921 207 H LEU 84 H LEU 84 -0.859 -0.448 4.241 208 HA LEU 84 HA LEU 84 -3.440 1.041 4.358 209 1HB LEU 84 1HB LEU 84 -3.098 2.501 6.171 210 2HB LEU 84 2HB LEU 84 -2.911 0.885 6.754 211 HG LEU 84 HG LEU 84 -0.271 1.405 6.533 212 1HD1 LEU 84 3HD2 LEU 84 -1.414 4.272 6.740 213 2HD1 LEU 84 1HD2 LEU 84 0.273 3.820 7.074 214 3HD1 LEU 84 2HD2 LEU 84 -0.370 3.655 5.449 215 1HD2 LEU 84 2HD1 LEU 84 -1.537 0.962 8.692 216 2HD2 LEU 84 3HD1 LEU 84 -0.244 2.155 8.886 217 3HD2 LEU 84 1HD1 LEU 84 -1.940 2.688 8.795 218 H ILE 85 H ILE 85 -3.413 2.749 2.931 219 HA ILE 85 HA ILE 85 -0.795 3.684 1.810 220 HB ILE 85 HB ILE 85 -3.685 4.385 1.110 221 1HG1 ILE 85 1HG1 ILE 85 -1.387 3.044 -0.477 222 2HG1 ILE 85 2HG1 ILE 85 -2.609 2.154 0.419 223 1HG2 ILE 85 3HG2 ILE 85 -1.133 5.615 -0.127 224 2HG2 ILE 85 1HG2 ILE 85 -2.774 5.780 -0.806 225 3HG2 ILE 85 2HG2 ILE 85 -2.401 6.496 0.755 226 1HD1 ILE 85 2HD1 ILE 85 -3.297 3.959 -1.960 227 2HD1 ILE 85 3HD1 ILE 85 -3.092 2.195 -1.992 228 3HD1 ILE 85 1HD1 ILE 85 -4.405 2.913 -1.036 229 H ARG 86 H ARG 86 0.334 5.059 2.775 230 HA ARG 86 HA ARG 86 -0.788 7.467 4.311 231 1HB ARG 86 1HB ARG 86 1.449 7.675 5.406 232 2HB ARG 86 2HB ARG 86 0.547 6.261 5.888 233 1HG ARG 86 1HG ARG 86 1.958 4.745 4.649 234 2HG ARG 86 2HG ARG 86 2.751 6.016 3.749 235 1HD ARG 86 1HD ARG 86 2.999 5.797 6.817 236 2HD ARG 86 2HD ARG 86 4.027 4.875 5.745 237 HE ARG 86 HE ARG 86 4.173 7.834 6.249 238 1HH1 ARG 86 2HH2 ARG 86 5.261 5.229 4.087 239 2HH1 ARG 86 1HH2 ARG 86 6.690 6.252 3.558 240 1HH2 ARG 86 1HH1 ARG 86 5.833 8.901 5.573 241 2HH2 ARG 86 2HH1 ARG 86 6.989 8.183 4.342 242 H GLU 87 H GLU 87 -0.053 9.485 3.674 243 HA GLU 87 HA GLU 87 1.228 9.742 0.966 244 1HB GLU 87 1HB GLU 87 -0.675 11.251 1.872 245 2HB GLU 87 2HB GLU 87 0.536 12.046 2.863 246 1HG GLU 87 1HG GLU 87 1.820 12.688 0.763 247 2HG GLU 87 2HG GLU 87 0.602 11.875 -0.218 248 H SER 88 H SER 88 3.283 10.576 0.565 249 HA SER 88 HA SER 88 5.256 9.714 2.531 250 1HB SER 88 1HB SER 88 5.302 9.370 -0.020 251 2HB SER 88 2HB SER 88 5.776 11.063 -0.194 252 HG SER 88 HG SER 88 7.121 9.049 1.296 253 H GLU 89 H GLU 89 3.939 12.485 2.961 254 HA GLU 89 HA GLU 89 4.415 14.395 4.172 255 1HB GLU 89 1HB GLU 89 6.855 12.828 5.100 256 2HB GLU 89 2HB GLU 89 6.610 14.484 5.582 257 1HG GLU 89 1HG GLU 89 5.747 13.137 7.338 258 2HG GLU 89 2HG GLU 89 4.403 13.984 6.597 259 H SER 90 H SER 90 7.650 13.808 2.800 260 HA SER 90 HA SER 90 8.165 16.660 2.281 261 1HB SER 90 1HB SER 90 9.604 14.186 1.141 262 2HB SER 90 2HB SER 90 10.162 15.853 0.965 263 HG SER 90 HG SER 90 10.191 16.019 3.237 264 H ALA 91 H ALA 91 6.998 14.078 0.072 265 HA ALA 91 HA ALA 91 6.438 16.229 -2.063 266 1HB ALA 91 3HB ALA 91 6.909 13.218 -2.477 267 2HB ALA 91 1HB ALA 91 6.465 14.396 -3.734 268 3HB ALA 91 2HB ALA 91 8.022 14.544 -2.895 269 HA PRO 92 HA PRO 92 2.191 15.057 -0.514 270 1HB PRO 92 1HB PRO 92 1.491 17.580 -2.091 271 2HB PRO 92 2HB PRO 92 0.881 17.057 -0.505 272 1HG PRO 92 1HG PRO 92 2.811 18.971 -0.639 273 2HG PRO 92 2HG PRO 92 2.941 17.695 0.595 274 1HD PRO 92 1HD PRO 92 4.420 17.859 -2.096 275 2HD PRO 92 2HD PRO 92 5.050 17.441 -0.474 276 H GLY 93 H GLY 93 3.061 15.656 -3.771 277 1HA GLY 93 1HA GLY 93 0.680 14.087 -4.919 278 2HA GLY 93 2HA GLY 93 1.898 14.900 -5.874 279 H ASP 94 H ASP 94 2.455 12.665 -3.157 280 HA ASP 94 HA ASP 94 3.116 10.348 -4.953 281 1HB ASP 94 1HB ASP 94 5.305 11.706 -4.797 282 2HB ASP 94 2HB ASP 94 5.313 11.445 -3.062 283 H PHE 95 H PHE 95 2.012 8.833 -3.981 284 HA PHE 95 HA PHE 95 1.671 8.728 -0.948 285 1HB PHE 95 1HB PHE 95 0.109 7.421 -3.268 286 2HB PHE 95 2HB PHE 95 -0.084 6.912 -1.625 287 HD1 PHE 95 HD2 PHE 95 -1.031 8.479 0.140 288 HD2 PHE 95 HD1 PHE 95 -0.795 9.646 -3.993 289 HE1 PHE 95 HE2 PHE 95 -2.586 10.334 0.566 290 HE2 PHE 95 HE1 PHE 95 -2.365 11.492 -3.549 291 HZ PHE 95 HZ PHE 95 -3.257 11.843 -1.271 292 H SER 96 H SER 96 1.568 6.468 -0.090 293 HA SER 96 HA SER 96 3.767 4.637 -1.117 294 1HB SER 96 1HB SER 96 3.925 5.985 1.658 295 2HB SER 96 2HB SER 96 4.899 4.600 1.151 296 HG SER 96 HG SER 96 5.945 6.568 0.830 297 H LEU 97 H LEU 97 2.629 2.880 -1.264 298 HA LEU 97 HA LEU 97 0.499 2.003 0.666 299 1HB LEU 97 1HB LEU 97 0.287 1.541 -1.768 300 2HB LEU 97 2HB LEU 97 1.796 0.645 -1.764 301 HG LEU 97 HG LEU 97 0.691 -0.973 -0.078 302 1HD1 LEU 97 3HD2 LEU 97 -1.259 0.318 0.672 303 2HD1 LEU 97 1HD2 LEU 97 -1.919 0.343 -0.990 304 3HD1 LEU 97 2HD2 LEU 97 -1.782 -1.189 -0.098 305 1HD2 LEU 97 2HD1 LEU 97 1.100 -1.589 -2.441 306 2HD2 LEU 97 3HD1 LEU 97 -0.406 -2.300 -1.876 307 3HD2 LEU 97 1HD1 LEU 97 -0.457 -0.868 -2.938 308 H SER 98 H SER 98 1.037 1.147 2.479 309 HA SER 98 HA SER 98 3.813 -0.005 3.109 310 1HB SER 98 1HB SER 98 1.653 1.006 5.000 311 2HB SER 98 2HB SER 98 3.317 0.635 5.417 312 HG SER 98 HG SER 98 2.435 2.632 3.605 313 H VAL 99 H VAL 99 3.456 -2.190 2.338 314 HA VAL 99 HA VAL 99 0.962 -3.654 3.327 315 HB VAL 99 HB VAL 99 2.904 -4.795 1.248 316 1HG1 VAL 99 3HG2 VAL 99 1.275 -6.408 2.381 317 2HG1 VAL 99 1HG2 VAL 99 -0.082 -5.432 1.803 318 3HG1 VAL 99 2HG2 VAL 99 0.979 -6.242 0.640 319 1HG2 VAL 99 3HG1 VAL 99 0.383 -3.148 0.623 320 2HG2 VAL 99 1HG1 VAL 99 2.072 -2.698 0.244 321 3HG2 VAL 99 2HG1 VAL 99 1.336 -4.091 -0.550 322 H LYS 100 H LYS 100 1.210 -4.814 5.017 323 HA LYS 100 HA LYS 100 3.838 -5.594 6.244 324 1HB LYS 100 1HB LYS 100 2.027 -4.770 7.596 325 2HB LYS 100 2HB LYS 100 0.964 -6.083 7.155 326 1HG LYS 100 1HG LYS 100 3.606 -6.748 8.573 327 2HG LYS 100 2HG LYS 100 2.320 -5.974 9.473 328 1HD LYS 100 1HD LYS 100 0.701 -7.826 8.670 329 2HD LYS 100 2HD LYS 100 2.100 -8.669 8.002 330 1HE LYS 100 1HE LYS 100 3.135 -8.704 10.350 331 2HE LYS 100 2HE LYS 100 1.683 -7.913 10.979 332 1HZ LYS 100 3HZ LYS 100 1.714 -10.550 9.585 333 2HZ LYS 100 1HZ LYS 100 1.551 -10.319 11.213 334 3HZ LYS 100 2HZ LYS 100 0.366 -9.806 10.183 335 H PHE 101 H PHE 101 4.843 -7.516 6.222 336 HA PHE 101 HA PHE 101 3.421 -10.029 5.184 337 1HB PHE 101 1HB PHE 101 6.230 -9.239 4.234 338 2HB PHE 101 2HB PHE 101 5.318 -10.647 3.762 339 HD1 PHE 101 HD2 PHE 101 2.623 -9.564 2.916 340 HD2 PHE 101 HD1 PHE 101 6.594 -8.024 2.280 341 HE1 PHE 101 HE2 PHE 101 1.887 -8.480 0.850 342 HE2 PHE 101 HE1 PHE 101 5.834 -6.952 0.213 343 HZ PHE 101 HZ PHE 101 3.481 -7.165 -0.505 344 H GLY 102 H GLY 102 3.520 -11.316 6.921 345 1HA GLY 102 1HA GLY 102 4.523 -12.820 8.513 346 2HA GLY 102 2HA GLY 102 6.122 -12.278 8.041 347 H ASN 103 H ASN 103 7.003 -10.485 9.103 348 HA ASN 103 HA ASN 103 5.442 -8.807 10.961 349 1HB ASN 103 1HB ASN 103 6.109 -10.874 12.417 350 2HB ASN 103 2HB ASN 103 7.764 -10.315 12.321 351 1HD2 ASN 103 1HD2 ASN 103 7.117 -8.007 15.028 352 2HD2 ASN 103 2HD2 ASN 103 8.317 -8.911 13.974 353 H ASP 104 H ASP 104 6.590 -8.184 8.623 354 HA ASP 104 HA ASP 104 8.368 -5.899 9.362 355 1HB ASP 104 1HB ASP 104 9.424 -7.914 7.265 356 2HB ASP 104 2HB ASP 104 10.051 -6.296 7.528 357 H VAL 105 H VAL 105 7.983 -4.270 8.014 358 HA VAL 105 HA VAL 105 5.703 -4.668 6.026 359 HB VAL 105 HB VAL 105 6.459 -2.101 7.492 360 1HG1 VAL 105 2HG1 VAL 105 5.059 -1.798 5.354 361 2HG1 VAL 105 3HG1 VAL 105 3.807 -2.835 6.062 362 3HG1 VAL 105 1HG1 VAL 105 4.214 -1.278 6.821 363 1HG2 VAL 105 3HG2 VAL 105 4.274 -4.138 8.292 364 2HG2 VAL 105 1HG2 VAL 105 5.703 -3.691 9.246 365 3HG2 VAL 105 2HG2 VAL 105 4.426 -2.502 8.969 366 H GLN 106 H GLN 106 6.080 -4.429 3.975 367 HA GLN 106 HA GLN 106 8.626 -3.096 2.936 368 1HB GLN 106 1HB GLN 106 6.651 -5.028 1.583 369 2HB GLN 106 2HB GLN 106 7.796 -4.065 0.663 370 1HG GLN 106 1HG GLN 106 9.725 -5.009 1.936 371 2HG GLN 106 2HG GLN 106 8.624 -5.992 2.898 372 1HE2 GLN 106 2HE2 GLN 106 9.394 -8.541 0.459 373 2HE2 GLN 106 1HE2 GLN 106 9.568 -7.928 2.180 374 H HIS 107 H HIS 107 8.460 -1.083 2.373 375 HA HIS 107 HA HIS 107 5.795 0.246 1.844 376 1HB HIS 107 1HB HIS 107 8.594 1.222 2.669 377 2HB HIS 107 2HB HIS 107 7.423 2.310 2.019 378 HD2 HIS 107 HD2 HIS 107 7.121 -0.498 4.801 379 HE1 HIS 107 HE1 HIS 107 5.104 2.810 6.194 380 HE2 HIS 107 HE2 HIS 107 5.807 0.463 6.871 381 H PHE 108 H PHE 108 5.326 -0.321 -0.166 382 HA PHE 108 HA PHE 108 7.180 0.070 -2.522 383 1HB PHE 108 1HB PHE 108 4.189 -0.618 -2.524 384 2HB PHE 108 2HB PHE 108 5.238 -0.640 -3.908 385 HD1 PHE 108 HD1 PHE 108 4.283 -2.458 -0.814 386 HD2 PHE 108 HD2 PHE 108 6.795 -2.552 -4.306 387 HE1 PHE 108 HE1 PHE 108 4.675 -4.854 -0.476 388 HE2 PHE 108 HE2 PHE 108 7.167 -4.963 -3.959 389 HZ PHE 108 HZ PHE 108 6.110 -6.119 -2.049 390 H LYS 109 H LYS 109 7.236 1.952 -3.595 391 HA LYS 109 HA LYS 109 5.550 4.234 -2.641 392 1HB LYS 109 1HB LYS 109 6.892 5.790 -3.700 393 2HB LYS 109 2HB LYS 109 7.903 4.662 -2.828 394 1HG LYS 109 1HG LYS 109 8.504 3.537 -5.042 395 2HG LYS 109 2HG LYS 109 7.532 4.727 -5.896 396 1HD LYS 109 1HD LYS 109 10.016 5.339 -4.173 397 2HD LYS 109 2HD LYS 109 9.968 5.241 -5.929 398 1HE LYS 109 1HE LYS 109 8.319 7.226 -5.963 399 2HE LYS 109 2HE LYS 109 8.501 7.365 -4.213 400 1HZ LYS 109 3HZ LYS 109 10.891 7.730 -4.546 401 2HZ LYS 109 1HZ LYS 109 10.718 7.610 -6.184 402 3HZ LYS 109 2HZ LYS 109 9.999 8.852 -5.367 403 H VAL 110 H VAL 110 3.835 4.958 -3.511 404 HA VAL 110 HA VAL 110 2.796 4.078 -6.228 405 HB VAL 110 HB VAL 110 1.495 5.722 -3.976 406 1HG1 VAL 110 1HG2 VAL 110 0.255 4.822 -6.644 407 2HG1 VAL 110 2HG2 VAL 110 -0.663 5.492 -5.264 408 3HG1 VAL 110 3HG2 VAL 110 0.522 6.495 -6.109 409 1HG2 VAL 110 2HG1 VAL 110 1.687 3.280 -3.398 410 2HG2 VAL 110 3HG1 VAL 110 0.000 3.762 -3.632 411 3HG2 VAL 110 1HG1 VAL 110 0.847 2.855 -4.908 412 H LEU 111 H LEU 111 3.808 5.169 -7.795 413 HA LEU 111 HA LEU 111 4.254 8.189 -7.536 414 1HB LEU 111 1HB LEU 111 6.165 7.958 -9.087 415 2HB LEU 111 2HB LEU 111 6.323 7.290 -7.484 416 HG LEU 111 HG LEU 111 6.056 4.947 -8.393 417 1HD1 LEU 111 1HD2 LEU 111 6.267 6.313 -11.158 418 2HD1 LEU 111 2HD2 LEU 111 6.444 4.564 -10.856 419 3HD1 LEU 111 3HD2 LEU 111 4.895 5.353 -10.556 420 1HD2 LEU 111 3HD1 LEU 111 8.306 5.925 -7.911 421 2HD2 LEU 111 1HD1 LEU 111 8.380 4.829 -9.299 422 3HD2 LEU 111 2HD1 LEU 111 8.399 6.593 -9.556 423 H ARG 112 H ARG 112 3.790 9.545 -9.166 424 HA ARG 112 HA ARG 112 1.445 8.627 -10.825 425 1HB ARG 112 1HB ARG 112 2.455 11.465 -10.169 426 2HB ARG 112 2HB ARG 112 1.020 11.115 -11.118 427 1HG ARG 112 1HG ARG 112 -0.064 9.969 -9.167 428 2HG ARG 112 2HG ARG 112 1.359 10.302 -8.168 429 1HD ARG 112 1HD ARG 112 1.066 12.793 -8.578 430 2HD ARG 112 2HD ARG 112 -0.365 12.450 -9.565 431 HE ARG 112 HE ARG 112 -0.752 11.260 -6.916 432 1HH1 ARG 112 2HH2 ARG 112 -0.646 14.460 -8.467 433 2HH1 ARG 112 1HH2 ARG 112 -1.742 15.144 -7.164 434 1HH2 ARG 112 1HH1 ARG 112 -1.998 12.155 -5.485 435 2HH2 ARG 112 2HH1 ARG 112 -2.452 13.929 -5.597 436 H ASP 113 H ASP 113 1.082 9.132 -12.943 437 HA ASP 113 HA ASP 113 3.467 9.915 -14.689 438 1HB ASP 113 1HB ASP 113 2.397 8.961 -16.654 439 2HB ASP 113 2HB ASP 113 2.862 7.802 -15.452 440 H GLY 114 H GLY 114 -0.119 10.419 -14.865 441 1HA GLY 114 1HA GLY 114 0.379 13.082 -16.246 442 2HA GLY 114 2HA GLY 114 -1.144 12.231 -16.129 443 H ALA 115 H ALA 115 -2.540 13.384 -14.979 444 HA ALA 115 HA ALA 115 -1.746 15.440 -12.954 445 1HB ALA 115 2HB ALA 115 -3.599 15.945 -14.499 446 2HB ALA 115 3HB ALA 115 -4.560 14.586 -13.864 447 3HB ALA 115 1HB ALA 115 -4.170 15.973 -12.819 448 H GLY 116 H GLY 116 -4.041 12.674 -12.653 449 1HA GLY 116 1HA GLY 116 -2.689 11.875 -10.016 450 2HA GLY 116 2HA GLY 116 -4.435 12.086 -10.026 451 H LYS 117 H LYS 117 -1.966 10.560 -12.141 452 HA LYS 117 HA LYS 117 -3.760 8.085 -12.495 453 1HB LYS 117 1HB LYS 117 -1.506 9.201 -14.258 454 2HB LYS 117 2HB LYS 117 -2.099 7.562 -14.391 455 1HG LYS 117 1HG LYS 117 -3.122 8.834 -16.098 456 2HG LYS 117 2HG LYS 117 -4.376 8.308 -14.988 457 1HD LYS 117 1HD LYS 117 -4.600 10.537 -14.021 458 2HD LYS 117 2HD LYS 117 -3.138 11.130 -14.791 459 1HE LYS 117 1HE LYS 117 -5.686 10.265 -16.331 460 2HE LYS 117 2HE LYS 117 -5.345 11.918 -15.822 461 1HZ LYS 117 2HZ LYS 117 -3.337 11.897 -17.194 462 2HZ LYS 117 3HZ LYS 117 -3.634 10.347 -17.684 463 3HZ LYS 117 1HZ LYS 117 -4.672 11.561 -18.107 464 H TYR 118 H TYR 118 -3.245 7.143 -10.609 465 HA TYR 118 HA TYR 118 -0.515 7.019 -9.465 466 1HB TYR 118 1HB TYR 118 -3.047 5.473 -8.547 467 2HB TYR 118 2HB TYR 118 -1.620 5.739 -7.609 468 HD1 TYR 118 HD2 TYR 118 -1.048 8.189 -6.846 469 HD2 TYR 118 HD1 TYR 118 -4.842 7.088 -8.555 470 HE1 TYR 118 HE2 TYR 118 -2.085 10.184 -5.864 471 HE2 TYR 118 HE1 TYR 118 -5.858 9.098 -7.582 472 HH TYR 118 HH TYR 118 -3.936 11.377 -5.623 473 H PHE 119 H PHE 119 0.974 5.613 -10.085 474 HA PHE 119 HA PHE 119 0.164 2.747 -10.761 475 1HB PHE 119 1HB PHE 119 1.316 2.533 -12.678 476 2HB PHE 119 2HB PHE 119 0.512 4.055 -12.851 477 HD1 PHE 119 HD1 PHE 119 1.900 6.265 -12.647 478 HD2 PHE 119 HD2 PHE 119 3.695 2.367 -12.916 479 HE1 PHE 119 HE1 PHE 119 3.992 7.267 -13.493 480 HE2 PHE 119 HE2 PHE 119 5.761 3.386 -13.803 481 HZ PHE 119 HZ PHE 119 5.901 5.835 -14.109 482 H LEU 120 H LEU 120 1.094 1.345 -9.629 483 HA LEU 120 HA LEU 120 3.662 1.908 -8.048 484 1HB LEU 120 1HB LEU 120 1.604 1.467 -6.757 485 2HB LEU 120 2HB LEU 120 1.359 -0.085 -7.526 486 HG LEU 120 HG LEU 120 3.764 0.615 -5.719 487 1HD1 LEU 120 2HD1 LEU 120 1.613 0.739 -4.456 488 2HD1 LEU 120 3HD1 LEU 120 1.134 -0.870 -5.049 489 3HD1 LEU 120 1HD1 LEU 120 2.522 -0.689 -3.958 490 1HD2 LEU 120 2HD2 LEU 120 2.798 -2.141 -6.772 491 2HD2 LEU 120 3HD2 LEU 120 4.382 -1.378 -7.068 492 3HD2 LEU 120 1HD2 LEU 120 3.971 -1.940 -5.453 493 H TRP 121 H TRP 121 1.984 -0.877 -9.589 494 HA TRP 121 HA TRP 121 4.517 -2.411 -9.807 495 1HB TRP 121 1HB TRP 121 2.365 -3.298 -8.948 496 2HB TRP 121 2HB TRP 121 1.593 -3.070 -10.499 497 HD1 TRP 121 HD1 TRP 121 4.704 -5.020 -9.062 498 HE1 TRP 121 HE1 TRP 121 4.660 -7.547 -9.847 499 HE3 TRP 121 HE3 TRP 121 0.562 -4.611 -11.992 500 HZ2 TRP 121 HZ2 TRP 121 2.864 -9.030 -11.514 501 HZ3 TRP 121 HZ3 TRP 121 -0.317 -6.628 -13.107 502 HH2 TRP 121 HH2 TRP 121 0.809 -8.803 -12.869 503 H VAL 122 H VAL 122 2.094 -2.280 -12.441 504 HA VAL 122 HA VAL 122 4.128 -1.066 -14.315 505 HB VAL 122 HB VAL 122 3.661 -2.681 -16.170 506 1HG1 VAL 122 3HG2 VAL 122 5.842 -2.647 -14.960 507 2HG1 VAL 122 1HG2 VAL 122 5.244 -3.883 -13.825 508 3HG1 VAL 122 2HG2 VAL 122 5.433 -4.268 -15.553 509 1HG2 VAL 122 3HG1 VAL 122 1.683 -3.978 -15.279 510 2HG2 VAL 122 1HG1 VAL 122 3.028 -5.029 -15.742 511 3HG2 VAL 122 2HG1 VAL 122 2.728 -4.685 -14.025 512 H VAL 123 H VAL 123 0.732 -2.376 -14.413 513 HA VAL 123 HA VAL 123 -0.044 -0.299 -16.337 514 HB VAL 123 HB VAL 123 -2.331 -1.246 -16.049 515 1HG1 VAL 123 2HG1 VAL 123 -0.811 -2.101 -17.815 516 2HG1 VAL 123 3HG1 VAL 123 -0.220 -3.369 -16.714 517 3HG1 VAL 123 1HG1 VAL 123 -1.920 -3.360 -17.240 518 1HG2 VAL 123 3HG2 VAL 123 -2.322 -2.097 -13.714 519 2HG2 VAL 123 1HG2 VAL 123 -2.797 -3.360 -14.860 520 3HG2 VAL 123 2HG2 VAL 123 -1.161 -3.369 -14.156 521 H LYS 124 H LYS 124 -1.284 1.476 -16.076 522 HA LYS 124 HA LYS 124 -1.151 2.775 -13.415 523 1HB LYS 124 1HB LYS 124 -1.727 4.848 -14.446 524 2HB LYS 124 2HB LYS 124 -0.495 4.043 -15.386 525 1HG LYS 124 1HG LYS 124 -2.267 3.351 -17.091 526 2HG LYS 124 2HG LYS 124 -3.491 4.176 -16.124 527 1HD LYS 124 1HD LYS 124 -2.173 6.369 -16.401 528 2HD LYS 124 2HD LYS 124 -1.025 5.508 -17.409 529 1HE LYS 124 1HE LYS 124 -2.490 6.663 -18.912 530 2HE LYS 124 2HE LYS 124 -2.913 4.958 -19.057 531 1HZ LYS 124 2HZ LYS 124 -4.403 6.981 -17.438 532 2HZ LYS 124 3HZ LYS 124 -4.878 6.363 -18.895 533 3HZ LYS 124 1HZ LYS 124 -4.817 5.387 -17.565 534 H PHE 125 H PHE 125 -2.726 3.770 -12.282 535 HA PHE 125 HA PHE 125 -5.521 2.487 -12.400 536 1HB PHE 125 1HB PHE 125 -3.952 2.932 -9.790 537 2HB PHE 125 2HB PHE 125 -5.476 2.136 -9.987 538 HD1 PHE 125 HD2 PHE 125 -5.442 -0.085 -11.568 539 HD2 PHE 125 HD1 PHE 125 -1.954 1.611 -9.698 540 HE1 PHE 125 HE2 PHE 125 -4.255 -2.220 -11.801 541 HE2 PHE 125 HE1 PHE 125 -0.809 -0.547 -9.884 542 HZ PHE 125 HZ PHE 125 -1.944 -2.466 -10.942 543 H ASN 126 H ASN 126 -6.892 4.116 -12.678 544 HA ASN 126 HA ASN 126 -6.324 6.897 -12.394 545 1HB ASN 126 1HB ASN 126 -8.649 7.393 -12.835 546 2HB ASN 126 2HB ASN 126 -8.051 6.154 -13.894 547 1HD2 ASN 126 1HD2 ASN 126 -10.554 3.765 -12.819 548 2HD2 ASN 126 2HD2 ASN 126 -9.014 4.054 -13.773 549 H SER 127 H SER 127 -7.975 4.933 -9.931 550 HA SER 127 HA SER 127 -7.636 7.254 -7.948 551 1HB SER 127 1HB SER 127 -9.620 6.464 -6.741 552 2HB SER 127 2HB SER 127 -10.041 6.810 -8.413 553 HG SER 127 HG SER 127 -9.842 4.558 -8.835 554 H LEU 128 H LEU 128 -7.318 6.623 -5.755 555 HA LEU 128 HA LEU 128 -5.307 4.488 -5.309 556 1HB LEU 128 1HB LEU 128 -6.812 6.176 -3.253 557 2HB LEU 128 2HB LEU 128 -5.518 5.067 -2.853 558 HG LEU 128 HG LEU 128 -5.139 7.456 -4.747 559 1HD1 LEU 128 2HD1 LEU 128 -5.771 8.243 -2.450 560 2HD1 LEU 128 3HD1 LEU 128 -4.454 7.274 -1.745 561 3HD1 LEU 128 1HD1 LEU 128 -4.085 8.641 -2.825 562 1HD2 LEU 128 3HD2 LEU 128 -3.379 5.711 -5.096 563 2HD2 LEU 128 1HD2 LEU 128 -2.688 7.149 -4.330 564 3HD2 LEU 128 2HD2 LEU 128 -3.008 5.701 -3.355 565 H ASN 129 H ASN 129 -8.831 4.585 -4.849 566 HA ASN 129 HA ASN 129 -9.067 2.009 -3.430 567 1HB ASN 129 1HB ASN 129 -10.856 3.788 -3.492 568 2HB ASN 129 2HB ASN 129 -11.185 3.399 -5.167 569 1HD2 ASN 129 1HD2 ASN 129 -13.118 0.469 -4.232 570 2HD2 ASN 129 2HD2 ASN 129 -12.315 1.423 -5.579 571 H GLU 130 H GLU 130 -9.108 2.846 -6.963 572 HA GLU 130 HA GLU 130 -9.415 0.142 -8.007 573 1HB GLU 130 1HB GLU 130 -9.841 2.209 -9.297 574 2HB GLU 130 2HB GLU 130 -8.180 2.736 -9.116 575 1HG GLU 130 1HG GLU 130 -8.524 1.975 -11.350 576 2HG GLU 130 2HG GLU 130 -7.366 0.919 -10.560 577 H LEU 131 H LEU 131 -6.461 1.969 -7.075 578 HA LEU 131 HA LEU 131 -4.524 -0.045 -7.910 579 1HB LEU 131 1HB LEU 131 -4.094 2.380 -7.426 580 2HB LEU 131 2HB LEU 131 -4.289 2.124 -5.713 581 HG LEU 131 HG LEU 131 -2.145 0.582 -7.297 582 1HD1 LEU 131 2HD1 LEU 131 -1.875 3.026 -7.846 583 2HD1 LEU 131 3HD1 LEU 131 -1.805 3.413 -6.114 584 3HD1 LEU 131 1HD1 LEU 131 -0.528 2.424 -6.872 585 1HD2 LEU 131 2HD2 LEU 131 -2.239 1.482 -4.335 586 2HD2 LEU 131 3HD2 LEU 131 -2.409 -0.187 -4.926 587 3HD2 LEU 131 1HD2 LEU 131 -0.871 0.655 -5.116 588 H VAL 132 H VAL 132 -5.942 0.448 -4.625 589 HA VAL 132 HA VAL 132 -4.627 -1.929 -3.509 590 HB VAL 132 HB VAL 132 -5.993 -1.836 -1.549 591 1HG1 VAL 132 2HG1 VAL 132 -4.073 -0.320 -1.687 592 2HG1 VAL 132 3HG1 VAL 132 -5.089 0.963 -2.400 593 3HG1 VAL 132 1HG1 VAL 132 -5.367 0.438 -0.726 594 1HG2 VAL 132 2HG2 VAL 132 -7.747 0.341 -2.824 595 2HG2 VAL 132 3HG2 VAL 132 -8.271 -1.277 -2.312 596 3HG2 VAL 132 1HG2 VAL 132 -7.751 -0.120 -1.098 597 H ASP 133 H ASP 133 -7.993 -1.508 -4.667 598 HA ASP 133 HA ASP 133 -8.741 -4.194 -4.066 599 1HB ASP 133 1HB ASP 133 -10.322 -2.230 -4.409 600 2HB ASP 133 2HB ASP 133 -10.085 -2.348 -6.145 601 H TYR 134 H TYR 134 -7.244 -2.947 -7.055 602 HA TYR 134 HA TYR 134 -7.474 -5.415 -8.677 603 1HB TYR 134 1HB TYR 134 -6.915 -3.255 -9.727 604 2HB TYR 134 2HB TYR 134 -5.492 -3.056 -8.740 605 HD1 TYR 134 HD2 TYR 134 -6.915 -4.957 -11.631 606 HD2 TYR 134 HD1 TYR 134 -3.397 -4.275 -9.249 607 HE1 TYR 134 HE2 TYR 134 -5.536 -6.084 -13.322 608 HE2 TYR 134 HE1 TYR 134 -2.030 -5.390 -10.941 609 HH TYR 134 HH TYR 134 -2.010 -6.413 -12.926 610 H HIS 135 H HIS 135 -4.861 -4.143 -6.523 611 HA HIS 135 HA HIS 135 -3.392 -6.691 -6.622 612 1HB HIS 135 1HB HIS 135 -2.901 -4.179 -4.929 613 2HB HIS 135 2HB HIS 135 -1.917 -5.619 -4.790 614 HD2 HIS 135 HD2 HIS 135 -1.216 -2.536 -6.138 615 HE1 HIS 135 HE1 HIS 135 0.355 -5.041 -9.030 616 HE2 HIS 135 HE2 HIS 135 0.403 -2.603 -8.217 617 H ARG 136 H ARG 136 -6.108 -6.055 -4.743 618 HA ARG 136 HA ARG 136 -5.550 -7.914 -2.493 619 1HB ARG 136 1HB ARG 136 -8.161 -7.017 -3.849 620 2HB ARG 136 2HB ARG 136 -8.155 -8.192 -2.546 621 1HG ARG 136 1HG ARG 136 -7.075 -6.569 -0.982 622 2HG ARG 136 2HG ARG 136 -6.943 -5.390 -2.274 623 1HD ARG 136 1HD ARG 136 -9.588 -5.610 -2.493 624 2HD ARG 136 2HD ARG 136 -9.509 -6.424 -0.925 625 HE ARG 136 HE ARG 136 -8.014 -3.931 -0.688 626 1HH1 ARG 136 2HH2 ARG 136 -11.384 -4.927 -1.229 627 2HH1 ARG 136 1HH2 ARG 136 -11.981 -3.348 -0.509 628 1HH2 ARG 136 1HH1 ARG 136 -8.808 -2.176 0.121 629 2HH2 ARG 136 2HH1 ARG 136 -10.620 -1.900 0.202 630 H SER 137 H SER 137 -6.223 -8.477 -5.877 631 HA SER 137 HA SER 137 -6.189 -11.476 -5.465 632 1HB SER 137 1HB SER 137 -7.289 -9.940 -7.895 633 2HB SER 137 2HB SER 137 -7.102 -11.694 -7.802 634 HG SER 137 HG SER 137 -8.459 -11.678 -5.969 635 H THR 138 H THR 138 -4.752 -8.785 -7.382 636 HA THR 138 HA THR 138 -2.655 -10.637 -8.556 637 HB THR 138 HB THR 138 -3.168 -7.623 -9.032 638 HG1 THR 138 HG1 THR 138 -4.098 -8.376 -10.935 639 1HG2 THR 138 3HG2 THR 138 -1.410 -9.602 -10.631 640 2HG2 THR 138 1HG2 THR 138 -1.925 -8.009 -11.223 641 3HG2 THR 138 2HG2 THR 138 -0.872 -8.114 -9.807 642 H SER 139 H SER 139 -0.382 -10.165 -8.392 643 HA SER 139 HA SER 139 0.384 -9.560 -5.582 644 1HB SER 139 1HB SER 139 1.306 -11.526 -6.773 645 2HB SER 139 2HB SER 139 2.123 -10.484 -7.948 646 HG SER 139 HG SER 139 3.242 -9.540 -6.182 647 H VAL 140 H VAL 140 1.397 -7.844 -4.775 648 HA VAL 140 HA VAL 140 2.185 -5.458 -6.376 649 HB VAL 140 HB VAL 140 3.203 -4.710 -4.101 650 1HG1 VAL 140 2HG1 VAL 140 1.184 -3.707 -5.059 651 2HG1 VAL 140 3HG1 VAL 140 0.175 -4.975 -4.316 652 3HG1 VAL 140 1HG1 VAL 140 1.070 -3.824 -3.296 653 1HG2 VAL 140 3HG2 VAL 140 3.218 -6.873 -2.844 654 2HG2 VAL 140 1HG2 VAL 140 2.316 -5.600 -2.008 655 3HG2 VAL 140 2HG2 VAL 140 1.439 -6.894 -2.857 656 H SER 141 H SER 141 3.976 -8.059 -4.575 657 HA SER 141 HA SER 141 6.638 -6.990 -5.321 658 1HB SER 141 1HB SER 141 6.172 -8.314 -3.203 659 2HB SER 141 2HB SER 141 5.871 -9.751 -4.173 660 HG SER 141 HG SER 141 7.996 -9.526 -5.002 661 H ARG 142 H ARG 142 7.939 -7.589 -6.926 662 HA ARG 142 HA ARG 142 6.758 -8.630 -9.386 663 1HB ARG 142 1HB ARG 142 9.581 -7.647 -8.692 664 2HB ARG 142 2HB ARG 142 9.264 -8.392 -10.235 665 1HG ARG 142 1HG ARG 142 9.146 -6.020 -10.536 666 2HG ARG 142 2HG ARG 142 7.591 -6.747 -10.869 667 1HD ARG 142 1HD ARG 142 7.201 -4.654 -9.758 668 2HD ARG 142 2HD ARG 142 6.700 -5.940 -8.662 669 HE ARG 142 HE ARG 142 9.420 -5.261 -7.931 670 1HH1 ARG 142 2HH2 ARG 142 6.224 -3.697 -7.925 671 2HH1 ARG 142 1HH2 ARG 142 6.712 -2.675 -6.481 672 1HH2 ARG 142 1HH1 ARG 142 9.865 -4.048 -6.290 673 2HH2 ARG 142 2HH1 ARG 142 8.636 -2.863 -5.619 674 H ASN 143 H ASN 143 9.536 -10.056 -7.545 675 HA ASN 143 HA ASN 143 9.531 -12.487 -9.236 676 1HB ASN 143 1HB ASN 143 11.599 -11.508 -8.200 677 2HB ASN 143 2HB ASN 143 11.029 -11.952 -6.608 678 1HD2 ASN 143 1HD2 ASN 143 12.695 -14.861 -9.005 679 2HD2 ASN 143 2HD2 ASN 143 12.254 -13.207 -9.667 680 H GLN 144 H GLN 144 8.933 -12.268 -5.678 681 HA GLN 144 HA GLN 144 7.423 -14.880 -5.748 682 1HB GLN 144 1HB GLN 144 8.156 -13.021 -3.402 683 2HB GLN 144 2HB GLN 144 7.264 -14.526 -3.231 684 1HG GLN 144 1HG GLN 144 9.191 -15.832 -4.181 685 2HG GLN 144 2HG GLN 144 10.125 -14.359 -4.376 686 1HE2 GLN 144 2HE2 GLN 144 11.017 -14.224 -0.872 687 2HE2 GLN 144 1HE2 GLN 144 11.018 -13.376 -2.499 688 H GLN 145 H GLN 145 5.279 -15.139 -5.390 689 HA GLN 145 HA GLN 145 3.504 -12.781 -5.852 690 1HB GLN 145 1HB GLN 145 1.671 -14.260 -6.206 691 2HB GLN 145 2HB GLN 145 3.048 -14.638 -7.209 692 1HG GLN 145 1HG GLN 145 3.594 -16.635 -5.715 693 2HG GLN 145 2HG GLN 145 2.195 -16.263 -4.723 694 1HE2 GLN 145 2HE2 GLN 145 1.557 -18.154 -8.303 695 2HE2 GLN 145 1HE2 GLN 145 3.211 -17.517 -7.829 696 H ILE 146 H ILE 146 3.134 -11.533 -4.167 697 HA ILE 146 HA ILE 146 2.002 -12.758 -1.621 698 HB ILE 146 HB ILE 146 3.295 -10.094 -1.181 699 1HG1 ILE 146 1HG1 ILE 146 5.160 -10.940 -2.447 700 2HG1 ILE 146 2HG1 ILE 146 5.515 -10.620 -0.771 701 1HG2 ILE 146 3HG2 ILE 146 3.109 -12.716 0.457 702 2HG2 ILE 146 1HG2 ILE 146 3.886 -11.244 1.046 703 3HG2 ILE 146 2HG2 ILE 146 2.150 -11.237 0.673 704 1HD1 ILE 146 1HD1 ILE 146 5.521 -13.111 -0.283 705 2HD1 ILE 146 2HD1 ILE 146 5.204 -13.428 -2.013 706 3HD1 ILE 146 3HD1 ILE 146 6.708 -12.625 -1.514 707 H PHE 147 H PHE 147 0.258 -11.734 -0.751 708 HA PHE 147 HA PHE 147 -1.166 -9.780 -2.661 709 1HB PHE 147 1HB PHE 147 -2.456 -12.181 -1.237 710 2HB PHE 147 2HB PHE 147 -3.254 -11.078 -2.328 711 HD1 PHE 147 HD2 PHE 147 -2.135 -10.851 -4.786 712 HD2 PHE 147 HD1 PHE 147 -1.593 -14.230 -2.183 713 HE1 PHE 147 HE2 PHE 147 -1.427 -12.230 -6.704 714 HE2 PHE 147 HE1 PHE 147 -0.905 -15.593 -4.118 715 HZ PHE 147 HZ PHE 147 -0.816 -14.596 -6.371 716 H LEU 148 H LEU 148 -2.906 -8.615 -1.897 717 HA LEU 148 HA LEU 148 -2.347 -7.316 0.746 718 1HB LEU 148 1HB LEU 148 -3.967 -6.604 -1.752 719 2HB LEU 148 2HB LEU 148 -4.431 -5.850 -0.271 720 HG LEU 148 HG LEU 148 -2.169 -4.884 0.059 721 1HD1 LEU 148 3HD1 LEU 148 -1.478 -6.123 -2.682 722 2HD1 LEU 148 1HD1 LEU 148 -0.526 -4.861 -1.855 723 3HD1 LEU 148 2HD1 LEU 148 -0.690 -6.465 -1.129 724 1HD2 LEU 148 3HD2 LEU 148 -3.995 -3.609 -1.088 725 2HD2 LEU 148 1HD2 LEU 148 -2.423 -3.166 -1.760 726 3HD2 LEU 148 2HD2 LEU 148 -3.497 -4.259 -2.664 727 H ARG 149 H ARG 149 -3.505 -7.437 2.525 728 HA ARG 149 HA ARG 149 -6.361 -8.542 2.551 729 1HB ARG 149 1HB ARG 149 -4.185 -9.094 4.677 730 2HB ARG 149 2HB ARG 149 -5.856 -9.611 4.770 731 1HG ARG 149 1HG ARG 149 -3.767 -10.579 2.730 732 2HG ARG 149 2HG ARG 149 -4.300 -11.444 4.165 733 1HD ARG 149 1HD ARG 149 -6.589 -11.721 3.241 734 2HD ARG 149 2HD ARG 149 -6.210 -10.724 1.845 735 HE ARG 149 HE ARG 149 -4.945 -13.470 2.444 736 1HH1 ARG 149 2HH2 ARG 149 -5.804 -11.010 0.019 737 2HH1 ARG 149 1HH2 ARG 149 -5.257 -12.135 -1.324 738 1HH2 ARG 149 1HH1 ARG 149 -4.357 -14.653 0.838 739 2HH2 ARG 149 2HH1 ARG 149 -4.496 -14.052 -0.890 740 H ASP 150 H ASP 150 -7.750 -7.364 3.770 741 HA ASP 150 HA ASP 150 -6.921 -4.647 4.616 742 1HB ASP 150 1HB ASP 150 -9.654 -6.063 4.776 743 2HB ASP 150 2HB ASP 150 -9.396 -4.436 5.368 744 H ILE 151 H ILE 151 -7.027 -3.685 6.575 745 HA ILE 151 HA ILE 151 -5.744 -5.225 8.685 746 HB ILE 151 HB ILE 151 -5.518 -3.147 9.936 747 1HG1 ILE 151 1HG1 ILE 151 -7.114 -1.595 7.820 748 2HG1 ILE 151 2HG1 ILE 151 -7.819 -2.141 9.330 749 1HG2 ILE 151 2HG2 ILE 151 -3.884 -3.635 8.160 750 2HG2 ILE 151 3HG2 ILE 151 -4.860 -2.751 6.969 751 3HG2 ILE 151 1HG2 ILE 151 -4.107 -1.887 8.329 752 1HD1 ILE 151 2HD1 ILE 151 -6.086 -0.833 10.652 753 2HD1 ILE 151 3HD1 ILE 151 -5.478 -0.155 9.116 754 3HD1 ILE 151 1HD1 ILE 151 -7.145 0.171 9.639 755 H GLU 152 H GLU 152 -6.164 -4.944 10.985 756 HA GLU 152 HA GLU 152 -8.883 -6.030 11.741 757 1HB GLU 152 1HB GLU 152 -6.762 -6.985 12.708 758 2HB GLU 152 2HB GLU 152 -6.409 -5.442 13.478 759 1HG GLU 152 1HG GLU 152 -8.596 -5.690 14.818 760 2HG GLU 152 2HG GLU 152 -8.835 -7.261 14.059 761 HXT GLU 152 HO OH 153 -10.332 -4.688 11.836 No H/Q in entry = 761 Start of MODEL 5 1 1H GLY 58 1H GLY 58 -11.406 -3.539 9.008 2 2H GLY 58 2H GLY 58 -10.499 -2.943 7.786 3 1HA GLY 58 1HA GLY 58 -12.633 -1.818 7.917 4 2HA GLY 58 2HA GLY 58 -12.260 -1.366 9.578 5 H SER 59 H SER 59 -11.926 -0.491 6.342 6 HA SER 59 HA SER 59 -11.314 1.474 5.319 7 1HB SER 59 1HB SER 59 -10.521 2.709 8.007 8 2HB SER 59 2HB SER 59 -10.669 3.553 6.467 9 HG SER 59 HG SER 59 -12.721 2.088 7.765 10 H TRP 60 H TRP 60 -9.730 1.445 3.971 11 HA TRP 60 HA TRP 60 -6.991 0.545 4.728 12 1HB TRP 60 1HB TRP 60 -6.382 0.573 2.386 13 2HB TRP 60 2HB TRP 60 -7.678 -0.497 2.814 14 HD1 TRP 60 HD1 TRP 60 -10.023 -0.174 1.687 15 HE1 TRP 60 HE1 TRP 60 -10.922 1.086 -0.479 16 HE3 TRP 60 HE3 TRP 60 -6.044 2.944 1.172 17 HZ2 TRP 60 HZ2 TRP 60 -9.825 3.195 -2.093 18 HZ3 TRP 60 HZ3 TRP 60 -6.027 4.588 -0.671 19 HH2 TRP 60 HH2 TRP 60 -7.883 4.705 -2.284 20 H PHE 61 H PHE 61 -8.310 3.694 3.608 21 HA PHE 61 HA PHE 61 -5.571 4.800 3.262 22 1HB PHE 61 1HB PHE 61 -7.527 5.478 1.806 23 2HB PHE 61 2HB PHE 61 -8.246 6.316 3.154 24 HD1 PHE 61 HD2 PHE 61 -5.135 6.180 0.997 25 HD2 PHE 61 HD1 PHE 61 -7.463 8.580 3.708 26 HE1 PHE 61 HE2 PHE 61 -3.691 8.112 0.543 27 HE2 PHE 61 HE1 PHE 61 -6.008 10.505 3.236 28 HZ PHE 61 HZ PHE 61 -4.120 10.280 1.668 29 H PHE 62 H PHE 62 -4.395 5.694 4.737 30 HA PHE 62 HA PHE 62 -5.569 6.860 7.330 31 1HB PHE 62 1HB PHE 62 -2.877 5.523 6.874 32 2HB PHE 62 2HB PHE 62 -3.121 6.687 8.142 33 HD1 PHE 62 HD1 PHE 62 -5.049 3.606 6.871 34 HD2 PHE 62 HD2 PHE 62 -3.490 5.762 10.261 35 HE1 PHE 62 HE1 PHE 62 -5.856 1.852 8.365 36 HE2 PHE 62 HE2 PHE 62 -4.298 3.979 11.742 37 HZ PHE 62 HZ PHE 62 -5.478 2.021 10.806 38 H GLY 63 H GLY 63 -2.533 7.478 5.470 39 1HA GLY 63 1HA GLY 63 -2.017 9.467 4.194 40 2HA GLY 63 2HA GLY 63 -3.512 10.224 4.692 41 H LYS 64 H LYS 64 -0.368 10.657 4.895 42 HA LYS 64 HA LYS 64 0.992 12.065 6.081 43 1HB LYS 64 1HB LYS 64 -1.001 13.545 6.216 44 2HB LYS 64 2HB LYS 64 -1.418 12.877 7.779 45 1HG LYS 64 1HG LYS 64 -0.407 15.080 7.982 46 2HG LYS 64 2HG LYS 64 0.552 13.889 8.836 47 1HD LYS 64 1HD LYS 64 2.237 13.851 7.007 48 2HD LYS 64 2HD LYS 64 1.285 14.934 6.009 49 1HE LYS 64 1HE LYS 64 2.477 15.677 8.778 50 2HE LYS 64 2HE LYS 64 3.270 15.987 7.236 51 1HZ LYS 64 2HZ LYS 64 1.397 17.407 6.594 52 2HZ LYS 64 3HZ LYS 64 0.642 17.132 8.038 53 3HZ LYS 64 1HZ LYS 64 2.084 17.937 8.000 54 H ILE 65 H ILE 65 -0.262 9.332 7.772 55 HA ILE 65 HA ILE 65 1.181 9.539 10.227 56 HB ILE 65 HB ILE 65 -0.635 7.986 9.799 57 1HG1 ILE 65 1HG1 ILE 65 1.886 6.430 10.614 58 2HG1 ILE 65 2HG1 ILE 65 1.048 7.588 11.639 59 1HG2 ILE 65 2HG2 ILE 65 -0.112 7.238 7.429 60 2HG2 ILE 65 3HG2 ILE 65 1.202 6.216 8.063 61 3HG2 ILE 65 1HG2 ILE 65 -0.491 5.898 8.509 62 1HD1 ILE 65 2HD1 ILE 65 -1.079 6.199 11.471 63 2HD1 ILE 65 3HD1 ILE 65 -0.158 4.970 10.561 64 3HD1 ILE 65 1HD1 ILE 65 0.294 5.348 12.243 65 HA PRO 66 HA PRO 66 5.553 9.228 8.697 66 1HB PRO 66 1HB PRO 66 5.908 7.912 11.462 67 2HB PRO 66 2HB PRO 66 6.948 9.111 10.667 68 1HG PRO 66 1HG PRO 66 5.201 9.901 12.576 69 2HG PRO 66 2HG PRO 66 5.375 10.886 11.099 70 1HD PRO 66 1HD PRO 66 3.131 8.924 11.794 71 2HD PRO 66 2HD PRO 66 3.042 10.512 10.977 72 H ARG 67 H ARG 67 7.282 7.663 8.397 73 HA ARG 67 HA ARG 67 6.431 4.957 7.571 74 1HB ARG 67 1HB ARG 67 8.388 6.388 6.605 75 2HB ARG 67 2HB ARG 67 9.349 5.874 7.974 76 1HG ARG 67 1HG ARG 67 8.974 3.441 7.291 77 2HG ARG 67 2HG ARG 67 7.974 4.001 5.951 78 1HD ARG 67 1HD ARG 67 9.968 5.237 4.977 79 2HD ARG 67 2HD ARG 67 10.980 4.609 6.294 80 HE ARG 67 HE ARG 67 9.698 2.308 5.089 81 1HH1 ARG 67 2HH2 ARG 67 12.035 4.793 4.086 82 2HH1 ARG 67 1HH2 ARG 67 12.774 3.627 2.876 83 1HH2 ARG 67 1HH1 ARG 67 10.615 1.068 3.683 84 2HH2 ARG 67 2HH1 ARG 67 12.023 1.661 2.666 85 H ALA 68 H ALA 68 8.086 6.173 10.447 86 HA ALA 68 HA ALA 68 8.676 3.486 11.628 87 1HB ALA 68 2HB ALA 68 10.125 5.424 12.206 88 2HB ALA 68 3HB ALA 68 8.753 6.262 12.976 89 3HB ALA 68 1HB ALA 68 9.379 4.743 13.664 90 H LYS 69 H LYS 69 6.107 5.945 12.229 91 HA LYS 69 HA LYS 69 4.659 4.277 14.217 92 1HB LYS 69 1HB LYS 69 3.623 6.638 12.539 93 2HB LYS 69 2HB LYS 69 2.692 5.804 13.774 94 1HG LYS 69 1HG LYS 69 4.497 6.395 15.498 95 2HG LYS 69 2HG LYS 69 5.292 7.371 14.260 96 1HD LYS 69 1HD LYS 69 3.145 8.743 14.021 97 2HD LYS 69 2HD LYS 69 2.415 7.784 15.310 98 1HE LYS 69 1HE LYS 69 4.236 8.563 16.911 99 2HE LYS 69 2HE LYS 69 4.971 9.513 15.610 100 1HZ LYS 69 1HZ LYS 69 2.903 10.801 15.459 101 2HZ LYS 69 2HZ LYS 69 2.217 9.917 16.675 102 3HZ LYS 69 3HZ LYS 69 3.528 10.872 16.987 103 H ALA 70 H ALA 70 4.476 4.476 10.680 104 HA ALA 70 HA ALA 70 2.083 2.726 10.388 105 1HB ALA 70 2HB ALA 70 2.743 4.230 8.540 106 2HB ALA 70 3HB ALA 70 4.301 3.388 8.349 107 3HB ALA 70 1HB ALA 70 2.776 2.542 7.989 108 H GLU 71 H GLU 71 5.612 2.065 10.245 109 HA GLU 71 HA GLU 71 5.444 -0.850 9.989 110 1HB GLU 71 1HB GLU 71 7.652 0.945 11.166 111 2HB GLU 71 2HB GLU 71 7.825 -0.794 11.001 112 1HG GLU 71 1HG GLU 71 7.604 -0.693 8.538 113 2HG GLU 71 2HG GLU 71 7.258 1.027 8.585 114 H GLU 72 H GLU 72 5.671 1.178 12.967 115 HA GLU 72 HA GLU 72 5.699 -1.009 14.863 116 1HB GLU 72 1HB GLU 72 6.374 1.375 15.300 117 2HB GLU 72 2HB GLU 72 4.684 1.865 15.286 118 1HG GLU 72 1HG GLU 72 4.258 0.390 17.310 119 2HG GLU 72 2HG GLU 72 5.930 -0.164 17.267 120 H MET 73 H MET 73 2.843 0.844 13.668 121 HA MET 73 HA MET 73 0.850 -0.718 15.184 122 1HB MET 73 1HB MET 73 0.627 1.202 12.795 123 2HB MET 73 2HB MET 73 -0.756 0.265 13.303 124 1HG MET 73 1HG MET 73 -0.903 2.441 14.327 125 2HG MET 73 2HG MET 73 -0.724 1.222 15.587 126 1HE MET 73 1HE MET 73 0.499 2.139 17.629 127 2HE MET 73 3HE MET 73 1.635 0.894 17.020 128 3HE MET 73 2HE MET 73 2.252 2.480 17.565 129 H LEU 74 H LEU 74 2.191 -1.236 11.907 130 HA LEU 74 HA LEU 74 0.271 -3.525 11.424 131 1HB LEU 74 1HB LEU 74 2.260 -1.953 9.704 132 2HB LEU 74 2HB LEU 74 1.815 -3.544 9.197 133 HG LEU 74 HG LEU 74 -0.580 -3.010 9.108 134 1HD1 LEU 74 3HD1 LEU 74 0.166 -0.100 9.848 135 2HD1 LEU 74 1HD1 LEU 74 -1.423 -0.661 9.254 136 3HD1 LEU 74 2HD1 LEU 74 -0.829 -1.206 10.826 137 1HD2 LEU 74 3HD2 LEU 74 0.863 -2.698 7.089 138 2HD2 LEU 74 1HD2 LEU 74 -0.450 -1.505 7.112 139 3HD2 LEU 74 2HD2 LEU 74 1.201 -1.013 7.556 140 H SER 75 H SER 75 3.617 -3.378 12.508 141 HA SER 75 HA SER 75 4.371 -6.073 11.646 142 1HB SER 75 1HB SER 75 5.516 -4.371 13.938 143 2HB SER 75 2HB SER 75 6.183 -5.926 13.429 144 HG SER 75 HG SER 75 7.178 -4.192 12.407 145 H LYS 76 H LYS 76 2.831 -5.033 14.738 146 HA LYS 76 HA LYS 76 2.859 -7.804 15.810 147 1HB LYS 76 1HB LYS 76 1.963 -7.132 17.763 148 2HB LYS 76 2HB LYS 76 2.935 -5.763 17.315 149 1HG LYS 76 1HG LYS 76 -0.140 -5.983 17.143 150 2HG LYS 76 2HG LYS 76 0.770 -5.189 18.412 151 1HD LYS 76 1HD LYS 76 1.630 -3.477 16.812 152 2HD LYS 76 2HD LYS 76 0.802 -4.254 15.472 153 1HE LYS 76 1HE LYS 76 -0.650 -3.100 17.959 154 2HE LYS 76 2HE LYS 76 -0.374 -2.197 16.476 155 1HZ LYS 76 3HZ LYS 76 -1.689 -3.845 15.258 156 2HZ LYS 76 1HZ LYS 76 -1.963 -4.708 16.640 157 3HZ LYS 76 2HZ LYS 76 -2.570 -3.179 16.487 158 H GLN 77 H GLN 77 0.505 -6.129 13.725 159 HA GLN 77 HA GLN 77 -1.747 -7.822 14.110 160 1HB GLN 77 1HB GLN 77 -0.737 -6.579 11.468 161 2HB GLN 77 2HB GLN 77 -2.321 -7.306 11.702 162 1HG GLN 77 1HG GLN 77 -2.846 -5.610 13.506 163 2HG GLN 77 2HG GLN 77 -1.277 -4.864 13.246 164 1HE2 GLN 77 1HE2 GLN 77 -3.134 -2.651 11.116 165 2HE2 GLN 77 2HE2 GLN 77 -2.261 -2.947 12.709 166 H ARG 78 H ARG 78 -2.214 -9.698 13.568 167 HA ARG 78 HA ARG 78 -0.275 -11.717 12.541 168 1HB ARG 78 1HB ARG 78 -1.840 -13.423 13.144 169 2HB ARG 78 2HB ARG 78 -1.769 -12.237 14.423 170 1HG ARG 78 1HG ARG 78 -3.965 -11.227 13.541 171 2HG ARG 78 2HG ARG 78 -4.050 -12.501 12.345 172 1HD ARG 78 1HD ARG 78 -4.056 -12.923 15.401 173 2HD ARG 78 2HD ARG 78 -5.491 -12.863 14.403 174 HE ARG 78 HE ARG 78 -3.525 -15.148 14.592 175 1HH1 ARG 78 2HH2 ARG 78 -6.302 -13.860 12.779 176 2HH1 ARG 78 1HH2 ARG 78 -6.649 -15.531 12.106 177 1HH2 ARG 78 1HH1 ARG 78 -4.016 -16.996 13.767 178 2HH2 ARG 78 2HH1 ARG 78 -5.442 -17.184 12.628 179 H HIS 79 H HIS 79 -2.793 -10.012 10.845 180 HA HIS 79 HA HIS 79 -3.302 -12.158 8.863 181 1HB HIS 79 1HB HIS 79 -4.286 -9.253 8.720 182 2HB HIS 79 2HB HIS 79 -4.917 -10.633 7.855 183 HD2 HIS 79 HD2 HIS 79 -6.058 -12.684 9.583 184 HE1 HIS 79 HE1 HIS 79 -6.961 -10.001 12.629 185 HE2 HIS 79 HE2 HIS 79 -7.478 -12.387 11.809 186 H ASP 80 H ASP 80 -2.039 -12.547 7.200 187 HA ASP 80 HA ASP 80 0.096 -10.759 6.173 188 1HB ASP 80 1HB ASP 80 -0.931 -13.501 5.229 189 2HB ASP 80 2HB ASP 80 0.228 -12.590 4.293 190 H GLY 81 H GLY 81 -0.283 -9.071 4.974 191 1HA GLY 81 1HA GLY 81 -1.168 -8.166 2.745 192 2HA GLY 81 2HA GLY 81 -2.673 -9.003 3.045 193 H ALA 82 H ALA 82 -1.854 -7.691 6.093 194 HA ALA 82 HA ALA 82 -4.141 -5.791 5.747 195 1HB ALA 82 3HB ALA 82 -2.532 -6.438 8.270 196 2HB ALA 82 1HB ALA 82 -3.971 -5.403 8.173 197 3HB ALA 82 2HB ALA 82 -4.095 -7.119 7.765 198 H PHE 83 H PHE 83 -3.801 -3.902 4.846 199 HA PHE 83 HA PHE 83 -1.086 -2.525 5.088 200 1HB PHE 83 1HB PHE 83 -1.084 -2.013 2.849 201 2HB PHE 83 2HB PHE 83 -1.640 -3.640 2.888 202 HD1 PHE 83 HD2 PHE 83 -4.057 -4.188 2.317 203 HD2 PHE 83 HD1 PHE 83 -2.541 -0.193 1.954 204 HE1 PHE 83 HE2 PHE 83 -6.079 -3.529 1.067 205 HE2 PHE 83 HE1 PHE 83 -4.505 0.422 0.600 206 HZ PHE 83 HZ PHE 83 -6.287 -1.229 0.186 207 H LEU 84 H LEU 84 -0.938 -0.319 4.659 208 HA LEU 84 HA LEU 84 -3.396 1.377 4.734 209 1HB LEU 84 1HB LEU 84 -2.745 2.985 6.350 210 2HB LEU 84 2HB LEU 84 -2.913 1.403 7.055 211 HG LEU 84 HG LEU 84 -0.274 1.282 7.031 212 1HD1 LEU 84 2HD1 LEU 84 -0.678 4.321 6.557 213 2HD1 LEU 84 3HD1 LEU 84 0.787 3.643 7.291 214 3HD1 LEU 84 1HD1 LEU 84 0.379 3.230 5.638 215 1HD2 LEU 84 3HD2 LEU 84 -1.749 1.614 9.096 216 2HD2 LEU 84 1HD2 LEU 84 -0.175 2.422 9.226 217 3HD2 LEU 84 2HD2 LEU 84 -1.637 3.369 8.867 218 H ILE 85 H ILE 85 -3.312 2.892 3.162 219 HA ILE 85 HA ILE 85 -0.654 3.518 1.832 220 HB ILE 85 HB ILE 85 -3.529 4.302 1.126 221 1HG1 ILE 85 1HG1 ILE 85 -1.408 2.662 -0.425 222 2HG1 ILE 85 2HG1 ILE 85 -2.561 1.917 0.664 223 1HG2 ILE 85 2HG2 ILE 85 -2.025 6.242 0.494 224 2HG2 ILE 85 3HG2 ILE 85 -0.946 5.111 -0.359 225 3HG2 ILE 85 1HG2 ILE 85 -2.602 5.401 -0.942 226 1HD1 ILE 85 1HD1 ILE 85 -3.437 3.513 -1.813 227 2HD1 ILE 85 2HD1 ILE 85 -3.281 1.744 -1.697 228 3HD1 ILE 85 3HD1 ILE 85 -4.464 2.584 -0.689 229 H ARG 86 H ARG 86 0.535 4.804 3.040 230 HA ARG 86 HA ARG 86 -0.536 7.256 4.476 231 1HB ARG 86 1HB ARG 86 1.625 7.543 5.447 232 2HB ARG 86 2HB ARG 86 1.130 5.884 5.680 233 1HG ARG 86 1HG ARG 86 2.700 5.116 3.877 234 2HG ARG 86 2HG ARG 86 3.129 6.790 3.518 235 1HD ARG 86 1HD ARG 86 4.006 7.042 5.922 236 2HD ARG 86 2HD ARG 86 3.687 5.333 6.177 237 HE ARG 86 HE ARG 86 5.495 4.732 4.631 238 1HH1 ARG 86 2HH2 ARG 86 5.177 8.266 4.884 239 2HH1 ARG 86 1HH2 ARG 86 6.790 8.482 4.035 240 1HH2 ARG 86 1HH1 ARG 86 7.309 5.098 3.676 241 2HH2 ARG 86 2HH1 ARG 86 7.912 6.809 3.399 242 H GLU 87 H GLU 87 0.330 9.346 4.048 243 HA GLU 87 HA GLU 87 1.101 9.891 1.162 244 1HB GLU 87 1HB GLU 87 -0.694 11.251 2.395 245 2HB GLU 87 2HB GLU 87 0.584 11.969 3.372 246 1HG GLU 87 1HG GLU 87 1.662 12.892 1.291 247 2HG GLU 87 2HG GLU 87 0.486 12.066 0.277 248 H SER 88 H SER 88 3.066 10.535 0.552 249 HA SER 88 HA SER 88 5.337 9.708 2.225 250 1HB SER 88 1HB SER 88 5.090 9.259 -0.242 251 2HB SER 88 2HB SER 88 5.372 10.971 -0.581 252 HG SER 88 HG SER 88 7.246 9.699 -0.688 253 H GLU 89 H GLU 89 5.265 11.172 3.902 254 HA GLU 89 HA GLU 89 6.078 12.876 5.256 255 1HB GLU 89 1HB GLU 89 7.395 14.253 2.858 256 2HB GLU 89 2HB GLU 89 7.422 14.832 4.515 257 1HG GLU 89 1HG GLU 89 8.609 12.725 5.262 258 2HG GLU 89 2HG GLU 89 8.593 12.122 3.607 259 H SER 90 H SER 90 5.351 14.876 2.476 260 HA SER 90 HA SER 90 2.487 15.026 3.075 261 1HB SER 90 1HB SER 90 3.306 16.640 4.867 262 2HB SER 90 2HB SER 90 3.964 17.688 3.606 263 HG SER 90 HG SER 90 1.843 17.787 2.729 264 H ALA 91 H ALA 91 3.485 14.070 0.883 265 HA ALA 91 HA ALA 91 3.353 16.258 -1.266 266 1HB ALA 91 3HB ALA 91 4.678 13.487 -1.342 267 2HB ALA 91 1HB ALA 91 4.625 14.671 -2.673 268 3HB ALA 91 2HB ALA 91 5.496 15.059 -1.177 269 HA PRO 92 HA PRO 92 -0.634 13.840 -1.821 270 1HB PRO 92 1HB PRO 92 -2.177 15.835 -3.033 271 2HB PRO 92 2HB PRO 92 -1.902 15.698 -1.288 272 1HG PRO 92 1HG PRO 92 -0.424 17.493 -3.271 273 2HG PRO 92 2HG PRO 92 -1.093 17.937 -1.683 274 1HD PRO 92 1HD PRO 92 1.582 17.343 -2.042 275 2HD PRO 92 2HD PRO 92 0.751 16.921 -0.514 276 H GLY 93 H GLY 93 -0.933 12.484 -3.363 277 1HA GLY 93 1HA GLY 93 -1.103 11.766 -5.785 278 2HA GLY 93 2HA GLY 93 0.074 12.981 -6.243 279 H ASP 94 H ASP 94 1.888 12.528 -4.055 280 HA ASP 94 HA ASP 94 3.256 9.924 -4.914 281 1HB ASP 94 1HB ASP 94 4.333 12.389 -3.414 282 2HB ASP 94 2HB ASP 94 5.197 10.874 -3.452 283 H PHE 95 H PHE 95 2.177 8.411 -3.817 284 HA PHE 95 HA PHE 95 1.925 8.574 -0.763 285 1HB PHE 95 1HB PHE 95 0.295 6.962 -2.848 286 2HB PHE 95 2HB PHE 95 0.161 6.786 -1.132 287 HD1 PHE 95 HD1 PHE 95 -0.651 8.776 0.326 288 HD2 PHE 95 HD2 PHE 95 -0.969 8.739 -3.955 289 HE1 PHE 95 HE1 PHE 95 -2.220 10.658 0.427 290 HE2 PHE 95 HE2 PHE 95 -2.622 10.574 -3.829 291 HZ PHE 95 HZ PHE 95 -3.230 11.546 -1.647 292 H SER 96 H SER 96 1.992 6.382 0.256 293 HA SER 96 HA SER 96 3.979 4.444 -1.032 294 1HB SER 96 1HB SER 96 4.291 5.525 1.842 295 2HB SER 96 2HB SER 96 5.175 4.154 1.167 296 HG SER 96 HG SER 96 5.159 6.799 0.145 297 H LEU 97 H LEU 97 2.908 2.673 -1.175 298 HA LEU 97 HA LEU 97 0.593 1.834 0.540 299 1HB LEU 97 1HB LEU 97 0.625 1.460 -1.903 300 2HB LEU 97 2HB LEU 97 2.127 0.559 -1.813 301 HG LEU 97 HG LEU 97 0.808 -1.132 -0.316 302 1HD1 LEU 97 2HD1 LEU 97 -1.228 0.200 0.072 303 2HD1 LEU 97 3HD1 LEU 97 -1.615 0.177 -1.672 304 3HD1 LEU 97 1HD1 LEU 97 -1.620 -1.333 -0.722 305 1HD2 LEU 97 3HD2 LEU 97 1.618 -1.688 -2.610 306 2HD2 LEU 97 1HD2 LEU 97 0.031 -2.415 -2.316 307 3HD2 LEU 97 2HD2 LEU 97 0.158 -0.954 -3.326 308 H SER 98 H SER 98 1.052 1.150 2.440 309 HA SER 98 HA SER 98 3.700 -0.205 3.210 310 1HB SER 98 1HB SER 98 1.686 1.072 5.091 311 2HB SER 98 2HB SER 98 3.358 0.653 5.424 312 HG SER 98 HG SER 98 3.066 2.844 4.996 313 H VAL 99 H VAL 99 3.103 -2.371 2.547 314 HA VAL 99 HA VAL 99 0.610 -3.595 3.801 315 HB VAL 99 HB VAL 99 2.323 -4.974 1.655 316 1HG1 VAL 99 3HG2 VAL 99 -0.507 -5.454 2.779 317 2HG1 VAL 99 1HG2 VAL 99 -0.011 -6.121 1.224 318 3HG1 VAL 99 2HG2 VAL 99 0.857 -6.576 2.699 319 1HG2 VAL 99 1HG1 VAL 99 -0.066 -3.135 1.054 320 2HG2 VAL 99 2HG1 VAL 99 1.638 -2.912 0.575 321 3HG2 VAL 99 3HG1 VAL 99 0.710 -4.257 -0.092 322 H LYS 100 H LYS 100 0.765 -4.946 5.444 323 HA LYS 100 HA LYS 100 3.392 -5.931 6.463 324 1HB LYS 100 1HB LYS 100 2.451 -6.520 8.405 325 2HB LYS 100 2HB LYS 100 1.430 -5.196 7.914 326 1HG LYS 100 1HG LYS 100 -0.361 -6.368 8.337 327 2HG LYS 100 2HG LYS 100 -0.019 -7.500 7.050 328 1HD LYS 100 1HD LYS 100 0.997 -7.710 9.976 329 2HD LYS 100 2HD LYS 100 -0.418 -8.515 9.348 330 1HE LYS 100 1HE LYS 100 1.256 -9.612 7.570 331 2HE LYS 100 2HE LYS 100 2.537 -9.041 8.635 332 1HZ LYS 100 1HZ LYS 100 0.315 -10.863 9.427 333 2HZ LYS 100 2HZ LYS 100 1.881 -11.306 9.143 334 3HZ LYS 100 3HZ LYS 100 1.516 -10.343 10.435 335 H PHE 101 H PHE 101 4.235 -8.007 6.474 336 HA PHE 101 HA PHE 101 2.622 -10.301 5.446 337 1HB PHE 101 1HB PHE 101 3.613 -9.078 3.341 338 2HB PHE 101 2HB PHE 101 5.176 -9.648 3.841 339 HD1 PHE 101 HD2 PHE 101 1.698 -10.734 2.879 340 HD2 PHE 101 HD1 PHE 101 5.791 -11.986 3.317 341 HE1 PHE 101 HE2 PHE 101 1.202 -12.811 1.663 342 HE2 PHE 101 HE1 PHE 101 5.283 -14.048 2.072 343 HZ PHE 101 HZ PHE 101 2.992 -14.464 1.238 344 H GLY 102 H GLY 102 2.960 -11.496 7.168 345 1HA GLY 102 1HA GLY 102 4.149 -13.083 8.558 346 2HA GLY 102 2HA GLY 102 5.691 -12.563 7.908 347 H ASN 103 H ASN 103 6.603 -10.647 8.739 348 HA ASN 103 HA ASN 103 5.301 -9.199 11.021 349 1HB ASN 103 1HB ASN 103 6.818 -11.071 12.015 350 2HB ASN 103 2HB ASN 103 8.192 -10.215 11.357 351 1HD2 ASN 103 1HD2 ASN 103 6.435 -8.830 14.812 352 2HD2 ASN 103 2HD2 ASN 103 5.691 -10.180 13.816 353 H ASP 104 H ASP 104 7.442 -9.108 8.390 354 HA ASP 104 HA ASP 104 8.440 -6.286 8.979 355 1HB ASP 104 1HB ASP 104 9.143 -8.101 6.588 356 2HB ASP 104 2HB ASP 104 9.729 -6.464 6.821 357 H VAL 105 H VAL 105 7.819 -4.580 7.859 358 HA VAL 105 HA VAL 105 5.259 -4.788 6.196 359 HB VAL 105 HB VAL 105 6.289 -2.381 7.779 360 1HG1 VAL 105 3HG2 VAL 105 4.812 -1.724 5.819 361 2HG1 VAL 105 1HG2 VAL 105 3.534 -2.798 6.423 362 3HG1 VAL 105 2HG2 VAL 105 4.037 -1.378 7.373 363 1HG2 VAL 105 1HG1 VAL 105 4.001 -4.331 8.515 364 2HG2 VAL 105 2HG1 VAL 105 5.546 -4.164 9.376 365 3HG2 VAL 105 3HG1 VAL 105 4.399 -2.825 9.382 366 H GLN 106 H GLN 106 5.530 -4.540 4.139 367 HA GLN 106 HA GLN 106 8.105 -3.449 2.962 368 1HB GLN 106 1HB GLN 106 5.841 -5.159 1.774 369 2HB GLN 106 2HB GLN 106 7.133 -4.472 0.797 370 1HG GLN 106 1HG GLN 106 8.880 -5.658 1.985 371 2HG GLN 106 2HG GLN 106 7.778 -6.227 3.227 372 1HE2 GLN 106 2HE2 GLN 106 6.821 -9.100 1.280 373 2HE2 GLN 106 1HE2 GLN 106 6.767 -8.182 2.868 374 H HIS 107 H HIS 107 8.158 -1.458 2.355 375 HA HIS 107 HA HIS 107 5.664 0.174 1.829 376 1HB HIS 107 1HB HIS 107 8.567 0.807 2.636 377 2HB HIS 107 2HB HIS 107 7.556 2.030 1.959 378 HD2 HIS 107 HD2 HIS 107 7.031 -0.627 4.848 379 HE1 HIS 107 HE1 HIS 107 5.183 2.849 6.054 380 HE2 HIS 107 HE2 HIS 107 5.762 0.506 6.862 381 H PHE 108 H PHE 108 5.061 0.127 -0.176 382 HA PHE 108 HA PHE 108 7.040 0.006 -2.513 383 1HB PHE 108 1HB PHE 108 4.031 -0.564 -2.617 384 2HB PHE 108 2HB PHE 108 5.192 -0.836 -3.875 385 HD1 PHE 108 HD2 PHE 108 6.982 -2.694 -3.570 386 HD2 PHE 108 HD1 PHE 108 3.597 -2.294 -0.941 387 HE1 PHE 108 HE2 PHE 108 7.229 -5.038 -2.877 388 HE2 PHE 108 HE1 PHE 108 3.850 -4.647 -0.273 389 HZ PHE 108 HZ PHE 108 5.657 -6.027 -1.244 390 H LYS 109 H LYS 109 7.238 1.797 -3.690 391 HA LYS 109 HA LYS 109 5.748 4.227 -2.891 392 1HB LYS 109 1HB LYS 109 8.226 4.238 -3.341 393 2HB LYS 109 2HB LYS 109 7.919 3.984 -5.049 394 1HG LYS 109 1HG LYS 109 8.360 6.317 -4.780 395 2HG LYS 109 2HG LYS 109 6.646 6.187 -5.123 396 1HD LYS 109 1HD LYS 109 6.268 6.344 -2.526 397 2HD LYS 109 2HD LYS 109 7.962 6.752 -2.381 398 1HE LYS 109 1HE LYS 109 5.881 8.322 -4.073 399 2HE LYS 109 2HE LYS 109 6.325 8.719 -2.418 400 1HZ LYS 109 2HZ LYS 109 8.609 9.118 -3.154 401 2HZ LYS 109 3HZ LYS 109 8.220 8.737 -4.713 402 3HZ LYS 109 1HZ LYS 109 7.550 10.066 -3.996 403 H VAL 110 H VAL 110 4.053 5.028 -3.733 404 HA VAL 110 HA VAL 110 2.882 4.120 -6.403 405 HB VAL 110 HB VAL 110 1.657 5.428 -3.910 406 1HG1 VAL 110 3HG1 VAL 110 0.270 4.989 -6.622 407 2HG1 VAL 110 1HG1 VAL 110 -0.597 5.287 -5.088 408 3HG1 VAL 110 2HG1 VAL 110 0.480 6.522 -5.751 409 1HG2 VAL 110 3HG2 VAL 110 1.978 2.939 -3.777 410 2HG2 VAL 110 1HG2 VAL 110 0.259 3.358 -3.829 411 3HG2 VAL 110 2HG2 VAL 110 1.064 2.724 -5.287 412 H LEU 111 H LEU 111 3.876 5.287 -7.888 413 HA LEU 111 HA LEU 111 4.426 8.223 -7.656 414 1HB LEU 111 1HB LEU 111 5.002 6.140 -9.856 415 2HB LEU 111 2HB LEU 111 5.652 7.764 -9.860 416 HG LEU 111 HG LEU 111 6.244 5.705 -7.660 417 1HD1 LEU 111 2HD1 LEU 111 7.119 4.886 -9.838 418 2HD1 LEU 111 3HD1 LEU 111 7.968 6.426 -10.120 419 3HD1 LEU 111 1HD1 LEU 111 8.458 5.361 -8.777 420 1HD2 LEU 111 2HD2 LEU 111 7.628 8.409 -8.315 421 2HD2 LEU 111 3HD2 LEU 111 6.627 8.067 -6.882 422 3HD2 LEU 111 1HD2 LEU 111 8.183 7.244 -7.089 423 H ARG 112 H ARG 112 4.186 9.498 -9.772 424 HA ARG 112 HA ARG 112 1.352 9.199 -10.901 425 1HB ARG 112 1HB ARG 112 2.797 11.713 -9.851 426 2HB ARG 112 2HB ARG 112 1.552 11.897 -11.047 427 1HG ARG 112 1HG ARG 112 1.010 10.459 -8.378 428 2HG ARG 112 2HG ARG 112 0.886 12.197 -8.612 429 1HD ARG 112 1HD ARG 112 -0.746 11.653 -10.643 430 2HD ARG 112 2HD ARG 112 -0.783 10.018 -10.012 431 HE ARG 112 HE ARG 112 -2.203 10.725 -8.225 432 1HH1 ARG 112 2HH2 ARG 112 -0.807 13.633 -9.729 433 2HH1 ARG 112 1HH2 ARG 112 -2.007 14.688 -8.829 434 1HH2 ARG 112 1HH1 ARG 112 -3.518 12.027 -7.257 435 2HH2 ARG 112 2HH1 ARG 112 -3.434 13.840 -7.527 436 H ASP 113 H ASP 113 1.050 9.392 -12.948 437 HA ASP 113 HA ASP 113 3.082 10.714 -14.769 438 1HB ASP 113 1HB ASP 113 3.071 9.022 -16.466 439 2HB ASP 113 2HB ASP 113 3.712 8.382 -14.981 440 H GLY 114 H GLY 114 2.108 12.166 -15.948 441 1HA GLY 114 1HA GLY 114 0.503 13.000 -17.573 442 2HA GLY 114 2HA GLY 114 -0.642 11.746 -17.154 443 H ALA 115 H ALA 115 -2.402 12.611 -16.244 444 HA ALA 115 HA ALA 115 -2.358 15.353 -14.956 445 1HB ALA 115 2HB ALA 115 -4.026 14.980 -16.719 446 2HB ALA 115 3HB ALA 115 -4.758 13.634 -15.810 447 3HB ALA 115 1HB ALA 115 -4.827 15.291 -15.165 448 H GLY 116 H GLY 116 -4.361 12.548 -13.959 449 1HA GLY 116 1HA GLY 116 -2.940 12.487 -11.253 450 2HA GLY 116 2HA GLY 116 -4.686 12.689 -11.246 451 H LYS 117 H LYS 117 -2.238 10.668 -12.868 452 HA LYS 117 HA LYS 117 -4.050 8.193 -12.614 453 1HB LYS 117 1HB LYS 117 -2.229 9.164 -14.895 454 2HB LYS 117 2HB LYS 117 -2.612 7.479 -14.706 455 1HG LYS 117 1HG LYS 117 -4.061 8.398 -16.347 456 2HG LYS 117 2HG LYS 117 -5.017 7.846 -14.989 457 1HD LYS 117 1HD LYS 117 -5.376 10.202 -14.250 458 2HD LYS 117 2HD LYS 117 -4.267 10.798 -15.494 459 1HE LYS 117 1HE LYS 117 -5.839 9.896 -17.289 460 2HE LYS 117 2HE LYS 117 -6.930 9.297 -16.029 461 1HZ LYS 117 1HZ LYS 117 -6.192 12.157 -16.433 462 2HZ LYS 117 2HZ LYS 117 -7.627 11.458 -16.858 463 3HZ LYS 117 3HZ LYS 117 -7.215 11.597 -15.264 464 H TYR 118 H TYR 118 -3.287 6.931 -11.138 465 HA TYR 118 HA TYR 118 -0.520 7.177 -10.051 466 1HB TYR 118 1HB TYR 118 -2.823 5.342 -9.111 467 2HB TYR 118 2HB TYR 118 -1.334 5.621 -8.258 468 HD1 TYR 118 HD2 TYR 118 -0.887 7.820 -7.108 469 HD2 TYR 118 HD1 TYR 118 -4.627 7.064 -9.097 470 HE1 TYR 118 HE2 TYR 118 -1.940 9.629 -5.840 471 HE2 TYR 118 HE1 TYR 118 -5.668 8.885 -7.819 472 HH TYR 118 HH TYR 118 -5.384 10.444 -6.261 473 H PHE 119 H PHE 119 1.146 5.784 -10.396 474 HA PHE 119 HA PHE 119 0.577 2.957 -11.427 475 1HB PHE 119 1HB PHE 119 2.253 2.914 -13.001 476 2HB PHE 119 2HB PHE 119 1.364 4.362 -13.330 477 HD1 PHE 119 HD2 PHE 119 2.431 6.669 -12.615 478 HD2 PHE 119 HD1 PHE 119 4.639 2.980 -12.566 479 HE1 PHE 119 HE2 PHE 119 4.546 7.917 -12.693 480 HE2 PHE 119 HE1 PHE 119 6.741 4.250 -12.631 481 HZ PHE 119 HZ PHE 119 6.703 6.718 -12.719 482 H LEU 120 H LEU 120 1.411 1.440 -10.186 483 HA LEU 120 HA LEU 120 3.509 2.091 -8.084 484 1HB LEU 120 1HB LEU 120 1.466 0.822 -7.454 485 2HB LEU 120 2HB LEU 120 1.956 -0.538 -8.431 486 HG LEU 120 HG LEU 120 3.811 0.584 -6.230 487 1HD1 LEU 120 1HD1 LEU 120 1.506 -1.407 -5.758 488 2HD1 LEU 120 2HD1 LEU 120 2.779 -0.999 -4.588 489 3HD1 LEU 120 3HD1 LEU 120 1.634 0.247 -5.109 490 1HD2 LEU 120 2HD2 LEU 120 3.503 -2.277 -7.382 491 2HD2 LEU 120 3HD2 LEU 120 4.864 -1.169 -7.676 492 3HD2 LEU 120 1HD2 LEU 120 4.598 -1.818 -6.056 493 H TRP 121 H TRP 121 3.114 -0.553 -10.535 494 HA TRP 121 HA TRP 121 6.075 -0.960 -10.687 495 1HB TRP 121 1HB TRP 121 3.876 -2.190 -12.443 496 2HB TRP 121 2HB TRP 121 5.566 -2.627 -12.492 497 HD1 TRP 121 HD1 TRP 121 6.109 -3.026 -9.260 498 HE1 TRP 121 HE1 TRP 121 5.334 -5.297 -8.181 499 HE3 TRP 121 HE3 TRP 121 2.565 -4.156 -12.763 500 HZ2 TRP 121 HZ2 TRP 121 3.475 -7.319 -9.000 501 HZ3 TRP 121 HZ3 TRP 121 1.394 -6.325 -12.611 502 HH2 TRP 121 HH2 TRP 121 1.860 -7.887 -10.766 503 H VAL 122 H VAL 122 3.783 -0.310 -13.347 504 HA VAL 122 HA VAL 122 5.471 1.832 -14.560 505 HB VAL 122 HB VAL 122 6.688 -0.253 -15.139 506 1HG1 VAL 122 2HG1 VAL 122 4.842 -1.903 -15.477 507 2HG1 VAL 122 3HG1 VAL 122 4.420 -1.104 -17.013 508 3HG1 VAL 122 1HG1 VAL 122 6.010 -1.873 -16.813 509 1HG2 VAL 122 3HG2 VAL 122 6.925 1.797 -16.540 510 2HG2 VAL 122 1HG2 VAL 122 7.149 0.321 -17.499 511 3HG2 VAL 122 2HG2 VAL 122 5.620 1.229 -17.611 512 H VAL 123 H VAL 123 2.938 -0.494 -15.331 513 HA VAL 123 HA VAL 123 1.471 1.343 -17.087 514 HB VAL 123 HB VAL 123 1.504 -1.111 -17.390 515 1HG1 VAL 123 2HG1 VAL 123 1.149 -1.948 -15.036 516 2HG1 VAL 123 3HG1 VAL 123 -0.537 -1.384 -15.091 517 3HG1 VAL 123 1HG1 VAL 123 0.012 -2.672 -16.189 518 1HG2 VAL 123 3HG2 VAL 123 -0.207 0.271 -18.558 519 2HG2 VAL 123 1HG2 VAL 123 -0.787 -1.374 -18.234 520 3HG2 VAL 123 2HG2 VAL 123 -1.365 -0.018 -17.237 521 H LYS 124 H LYS 124 -0.255 2.563 -16.770 522 HA LYS 124 HA LYS 124 -0.649 3.602 -14.047 523 1HB LYS 124 1HB LYS 124 -1.917 5.419 -15.082 524 2HB LYS 124 2HB LYS 124 -0.348 5.176 -15.803 525 1HG LYS 124 1HG LYS 124 -1.297 4.220 -17.852 526 2HG LYS 124 2HG LYS 124 -2.888 4.056 -17.127 527 1HD LYS 124 1HD LYS 124 -2.872 5.927 -18.680 528 2HD LYS 124 2HD LYS 124 -3.228 6.468 -17.048 529 1HE LYS 124 1HE LYS 124 -0.866 7.346 -16.795 530 2HE LYS 124 2HE LYS 124 -0.449 6.732 -18.402 531 1HZ LYS 124 1HZ LYS 124 -2.519 8.802 -17.833 532 2HZ LYS 124 2HZ LYS 124 -1.012 9.084 -18.447 533 3HZ LYS 124 3HZ LYS 124 -2.122 8.245 -19.337 534 H PHE 125 H PHE 125 -2.528 4.165 -13.063 535 HA PHE 125 HA PHE 125 -4.992 2.385 -13.387 536 1HB PHE 125 1HB PHE 125 -3.569 2.678 -10.663 537 2HB PHE 125 2HB PHE 125 -4.989 1.745 -11.012 538 HD1 PHE 125 HD2 PHE 125 -4.648 -0.252 -12.841 539 HD2 PHE 125 HD1 PHE 125 -1.454 1.576 -10.607 540 HE1 PHE 125 HE2 PHE 125 -3.191 -2.181 -13.312 541 HE2 PHE 125 HE1 PHE 125 -0.030 -0.369 -11.062 542 HZ PHE 125 HZ PHE 125 -0.884 -2.241 -12.431 543 H ASN 126 H ASN 126 -6.365 4.019 -13.737 544 HA ASN 126 HA ASN 126 -5.960 6.715 -13.295 545 1HB ASN 126 1HB ASN 126 -8.243 7.222 -13.894 546 2HB ASN 126 2HB ASN 126 -7.555 5.983 -14.897 547 1HD2 ASN 126 1HD2 ASN 126 -11.022 5.116 -12.956 548 2HD2 ASN 126 2HD2 ASN 126 -10.185 6.744 -12.827 549 H SER 127 H SER 127 -7.966 4.903 -10.968 550 HA SER 127 HA SER 127 -7.871 7.310 -9.069 551 1HB SER 127 1HB SER 127 -9.663 4.787 -9.025 552 2HB SER 127 2HB SER 127 -9.698 6.078 -7.826 553 HG SER 127 HG SER 127 -10.170 7.545 -9.505 554 H LEU 128 H LEU 128 -7.545 6.862 -6.820 555 HA LEU 128 HA LEU 128 -5.271 5.071 -6.181 556 1HB LEU 128 1HB LEU 128 -5.800 7.354 -5.067 557 2HB LEU 128 2HB LEU 128 -7.068 6.535 -4.178 558 HG LEU 128 HG LEU 128 -5.270 4.982 -3.187 559 1HD1 LEU 128 1HD2 LEU 128 -3.285 6.957 -4.515 560 2HD1 LEU 128 2HD2 LEU 128 -2.858 5.729 -3.302 561 3HD1 LEU 128 3HD2 LEU 128 -3.439 5.225 -4.894 562 1HD2 LEU 128 2HD1 LEU 128 -6.148 6.968 -1.932 563 2HD2 LEU 128 3HD1 LEU 128 -4.439 6.694 -1.565 564 3HD2 LEU 128 1HD1 LEU 128 -4.903 8.010 -2.668 565 H ASN 129 H ASN 129 -8.794 4.840 -5.685 566 HA ASN 129 HA ASN 129 -8.786 2.207 -4.338 567 1HB ASN 129 1HB ASN 129 -10.712 3.848 -4.267 568 2HB ASN 129 2HB ASN 129 -11.008 3.578 -5.969 569 1HD2 ASN 129 1HD2 ASN 129 -12.300 0.737 -3.259 570 2HD2 ASN 129 2HD2 ASN 129 -11.092 2.029 -2.772 571 H GLU 130 H GLU 130 -8.725 3.145 -7.856 572 HA GLU 130 HA GLU 130 -9.103 0.460 -8.944 573 1HB GLU 130 1HB GLU 130 -9.443 2.603 -10.196 574 2HB GLU 130 2HB GLU 130 -7.741 2.990 -10.041 575 1HG GLU 130 1HG GLU 130 -8.124 2.259 -12.252 576 2HG GLU 130 2HG GLU 130 -7.123 1.049 -11.464 577 H LEU 131 H LEU 131 -6.109 2.248 -8.016 578 HA LEU 131 HA LEU 131 -4.207 0.116 -8.687 579 1HB LEU 131 1HB LEU 131 -3.699 2.544 -8.292 580 2HB LEU 131 2HB LEU 131 -3.934 2.350 -6.575 581 HG LEU 131 HG LEU 131 -1.848 0.655 -8.100 582 1HD1 LEU 131 1HD2 LEU 131 -1.446 3.503 -6.986 583 2HD1 LEU 131 2HD2 LEU 131 -0.144 2.451 -7.597 584 3HD1 LEU 131 3HD2 LEU 131 -1.402 3.029 -8.699 585 1HD2 LEU 131 1HD1 LEU 131 -1.939 1.603 -5.149 586 2HD2 LEU 131 2HD1 LEU 131 -2.191 -0.064 -5.718 587 3HD2 LEU 131 3HD1 LEU 131 -0.608 0.690 -5.898 588 H VAL 132 H VAL 132 -5.921 0.829 -5.616 589 HA VAL 132 HA VAL 132 -4.961 -1.437 -4.045 590 HB VAL 132 HB VAL 132 -7.496 0.282 -3.894 591 1HG1 VAL 132 3HG1 VAL 132 -6.866 -2.034 -1.970 592 2HG1 VAL 132 1HG1 VAL 132 -8.015 -0.708 -1.623 593 3HG1 VAL 132 2HG1 VAL 132 -8.318 -1.811 -2.965 594 1HG2 VAL 132 3HG2 VAL 132 -5.344 1.346 -3.183 595 2HG2 VAL 132 1HG2 VAL 132 -6.441 1.139 -1.806 596 3HG2 VAL 132 2HG2 VAL 132 -5.062 0.028 -2.017 597 H ASP 133 H ASP 133 -8.075 -1.222 -5.844 598 HA ASP 133 HA ASP 133 -8.790 -3.931 -5.419 599 1HB ASP 133 1HB ASP 133 -10.317 -2.029 -6.158 600 2HB ASP 133 2HB ASP 133 -9.691 -2.167 -7.791 601 H TYR 134 H TYR 134 -6.800 -2.680 -8.091 602 HA TYR 134 HA TYR 134 -6.582 -5.124 -9.693 603 1HB TYR 134 1HB TYR 134 -5.862 -2.938 -10.570 604 2HB TYR 134 2HB TYR 134 -4.652 -2.754 -9.328 605 HD1 TYR 134 HD1 TYR 134 -5.562 -4.795 -12.366 606 HD2 TYR 134 HD2 TYR 134 -2.447 -3.797 -9.569 607 HE1 TYR 134 HE1 TYR 134 -3.919 -5.981 -13.756 608 HE2 TYR 134 HE2 TYR 134 -0.818 -4.989 -10.967 609 HH TYR 134 HH TYR 134 -0.485 -6.169 -12.809 610 H HIS 135 H HIS 135 -4.361 -3.906 -7.084 611 HA HIS 135 HA HIS 135 -3.055 -6.563 -6.936 612 1HB HIS 135 1HB HIS 135 -2.555 -4.087 -5.211 613 2HB HIS 135 2HB HIS 135 -1.721 -5.610 -4.986 614 HD2 HIS 135 HD2 HIS 135 -0.558 -2.618 -6.101 615 HE1 HIS 135 HE1 HIS 135 0.945 -5.057 -9.092 616 HE2 HIS 135 HE2 HIS 135 1.227 -2.731 -8.052 617 H ARG 136 H ARG 136 -5.963 -5.698 -5.514 618 HA ARG 136 HA ARG 136 -5.818 -7.603 -3.219 619 1HB ARG 136 1HB ARG 136 -8.252 -6.604 -4.830 620 2HB ARG 136 2HB ARG 136 -8.369 -7.728 -3.485 621 1HG ARG 136 1HG ARG 136 -7.261 -6.040 -1.960 622 2HG ARG 136 2HG ARG 136 -7.239 -4.880 -3.276 623 1HD ARG 136 1HD ARG 136 -9.784 -5.027 -3.409 624 2HD ARG 136 2HD ARG 136 -9.791 -6.142 -2.049 625 HE ARG 136 HE ARG 136 -9.190 -3.170 -1.982 626 1HH1 ARG 136 2HH2 ARG 136 -9.216 -6.168 -0.069 627 2HH1 ARG 136 1HH2 ARG 136 -9.130 -5.192 1.481 628 1HH2 ARG 136 1HH1 ARG 136 -9.092 -2.167 -0.158 629 2HH2 ARG 136 2HH1 ARG 136 -9.065 -3.082 1.432 630 H SER 137 H SER 137 -6.178 -8.020 -6.680 631 HA SER 137 HA SER 137 -6.657 -10.995 -6.411 632 1HB SER 137 1HB SER 137 -7.040 -9.234 -8.905 633 2HB SER 137 2HB SER 137 -7.180 -10.995 -8.873 634 HG SER 137 HG SER 137 -9.164 -9.967 -8.626 635 H THR 138 H THR 138 -4.485 -8.566 -7.917 636 HA THR 138 HA THR 138 -2.505 -10.722 -8.747 637 HB THR 138 HB THR 138 -2.561 -7.650 -9.212 638 HG1 THR 138 HG1 THR 138 -3.017 -9.840 -10.946 639 1HG2 THR 138 3HG2 THR 138 -0.607 -9.689 -10.460 640 2HG2 THR 138 1HG2 THR 138 -0.828 -8.002 -10.992 641 3HG2 THR 138 2HG2 THR 138 -0.186 -8.336 -9.379 642 H SER 139 H SER 139 -0.397 -10.816 -7.980 643 HA SER 139 HA SER 139 0.032 -9.885 -5.175 644 1HB SER 139 1HB SER 139 1.929 -11.220 -5.054 645 2HB SER 139 2HB SER 139 0.739 -12.174 -5.923 646 HG SER 139 HG SER 139 3.126 -11.045 -6.679 647 H VAL 140 H VAL 140 1.213 -8.198 -4.482 648 HA VAL 140 HA VAL 140 2.221 -6.134 -6.338 649 HB VAL 140 HB VAL 140 3.050 -6.156 -3.395 650 1HG1 VAL 140 1HG2 VAL 140 2.634 -3.885 -5.462 651 2HG1 VAL 140 2HG2 VAL 140 3.061 -3.642 -3.757 652 3HG1 VAL 140 3HG2 VAL 140 4.196 -4.464 -4.838 653 1HG2 VAL 140 2HG1 VAL 140 0.543 -6.352 -3.375 654 2HG2 VAL 140 3HG1 VAL 140 1.118 -4.787 -2.785 655 3HG2 VAL 140 1HG1 VAL 140 0.432 -4.916 -4.419 656 H SER 141 H SER 141 3.872 -8.523 -4.244 657 HA SER 141 HA SER 141 6.475 -8.164 -5.839 658 1HB SER 141 1HB SER 141 6.157 -9.437 -3.049 659 2HB SER 141 2HB SER 141 7.624 -9.474 -4.022 660 HG SER 141 HG SER 141 6.246 -7.152 -3.166 661 H ARG 142 H ARG 142 7.230 -9.898 -6.925 662 HA ARG 142 HA ARG 142 5.282 -11.964 -7.746 663 1HB ARG 142 1HB ARG 142 8.204 -11.536 -8.608 664 2HB ARG 142 2HB ARG 142 7.212 -12.854 -9.181 665 1HG ARG 142 1HG ARG 142 7.018 -11.326 -10.888 666 2HG ARG 142 2HG ARG 142 5.479 -11.196 -10.054 667 1HD ARG 142 1HD ARG 142 6.276 -9.038 -8.949 668 2HD ARG 142 2HD ARG 142 7.856 -9.239 -9.726 669 HE ARG 142 HE ARG 142 5.569 -9.215 -11.670 670 1HH1 ARG 142 2HH2 ARG 142 7.836 -7.122 -9.899 671 2HH1 ARG 142 1HH2 ARG 142 7.585 -5.786 -11.132 672 1HH2 ARG 142 1HH1 ARG 142 5.362 -7.627 -13.009 673 2HH2 ARG 142 2HH1 ARG 142 6.279 -6.055 -12.772 674 H ASN 143 H ASN 143 8.465 -12.331 -6.063 675 HA ASN 143 HA ASN 143 8.102 -15.232 -5.622 676 1HB ASN 143 1HB ASN 143 10.054 -13.294 -4.240 677 2HB ASN 143 2HB ASN 143 10.028 -15.021 -3.978 678 1HD2 ASN 143 1HD2 ASN 143 12.012 -13.708 -7.248 679 2HD2 ASN 143 2HD2 ASN 143 11.243 -12.583 -6.020 680 H GLN 144 H GLN 144 7.975 -12.563 -3.174 681 HA GLN 144 HA GLN 144 6.312 -14.268 -1.293 682 1HB GLN 144 1HB GLN 144 7.184 -11.313 -1.098 683 2HB GLN 144 2HB GLN 144 6.173 -12.130 0.082 684 1HG GLN 144 1HG GLN 144 7.994 -13.774 0.591 685 2HG GLN 144 2HG GLN 144 9.046 -13.023 -0.599 686 1HE2 GLN 144 2HE2 GLN 144 9.875 -10.244 1.582 687 2HE2 GLN 144 1HE2 GLN 144 9.900 -10.903 -0.130 688 H GLN 145 H GLN 145 4.220 -14.508 -1.839 689 HA GLN 145 HA GLN 145 2.946 -12.781 -3.865 690 1HB GLN 145 1HB GLN 145 1.124 -14.344 -3.934 691 2HB GLN 145 2HB GLN 145 2.684 -15.114 -4.054 692 1HG GLN 145 1HG GLN 145 2.440 -15.754 -1.513 693 2HG GLN 145 2HG GLN 145 0.787 -15.182 -1.623 694 1HE2 GLN 145 2HE2 GLN 145 1.739 -18.805 -3.336 695 2HE2 GLN 145 1HE2 GLN 145 3.037 -17.650 -2.746 696 H ILE 146 H ILE 146 2.312 -10.806 -3.287 697 HA ILE 146 HA ILE 146 1.196 -10.330 -0.485 698 HB ILE 146 HB ILE 146 2.070 -8.111 -2.370 699 1HG1 ILE 146 1HG1 ILE 146 4.043 -9.392 -2.156 700 2HG1 ILE 146 2HG1 ILE 146 4.192 -7.902 -1.257 701 1HG2 ILE 146 1HG2 ILE 146 0.616 -7.377 -0.505 702 2HG2 ILE 146 2HG2 ILE 146 1.671 -8.161 0.690 703 3HG2 ILE 146 3HG2 ILE 146 2.261 -6.769 -0.254 704 1HD1 ILE 146 1HD1 ILE 146 3.743 -10.691 0.001 705 2HD1 ILE 146 2HD1 ILE 146 5.269 -9.781 -0.035 706 3HD1 ILE 146 3HD1 ILE 146 3.901 -9.167 0.920 707 H PHE 147 H PHE 147 -0.854 -10.497 -0.434 708 HA PHE 147 HA PHE 147 -2.674 -9.300 -2.627 709 1HB PHE 147 1HB PHE 147 -3.406 -11.675 -0.835 710 2HB PHE 147 2HB PHE 147 -4.460 -10.898 -1.993 711 HD1 PHE 147 HD2 PHE 147 -3.447 -10.690 -4.536 712 HD2 PHE 147 HD1 PHE 147 -2.161 -13.586 -1.616 713 HE1 PHE 147 HE2 PHE 147 -2.470 -12.090 -6.317 714 HE2 PHE 147 HE1 PHE 147 -1.254 -14.978 -3.436 715 HZ PHE 147 HZ PHE 147 -1.397 -14.231 -5.770 716 H LEU 148 H LEU 148 -3.859 -7.703 -2.084 717 HA LEU 148 HA LEU 148 -3.490 -6.395 0.488 718 1HB LEU 148 1HB LEU 148 -4.874 -5.694 -2.140 719 2HB LEU 148 2HB LEU 148 -5.273 -4.739 -0.757 720 HG LEU 148 HG LEU 148 -2.942 -4.058 -0.383 721 1HD1 LEU 148 1HD2 LEU 148 -2.181 -5.786 -2.811 722 2HD1 LEU 148 2HD2 LEU 148 -1.142 -4.534 -2.080 723 3HD1 LEU 148 3HD2 LEU 148 -1.597 -5.963 -1.143 724 1HD2 LEU 148 2HD1 LEU 148 -4.385 -2.696 -1.889 725 2HD2 LEU 148 3HD1 LEU 148 -2.702 -2.635 -2.443 726 3HD2 LEU 148 1HD1 LEU 148 -3.881 -3.660 -3.296 727 H ARG 149 H ARG 149 -4.581 -6.509 2.266 728 HA ARG 149 HA ARG 149 -7.612 -6.867 2.372 729 1HB ARG 149 1HB ARG 149 -6.081 -8.829 3.075 730 2HB ARG 149 2HB ARG 149 -5.327 -7.772 4.257 731 1HG ARG 149 1HG ARG 149 -7.772 -7.543 5.290 732 2HG ARG 149 2HG ARG 149 -8.185 -8.902 4.241 733 1HD ARG 149 1HD ARG 149 -6.219 -10.192 5.267 734 2HD ARG 149 2HD ARG 149 -5.882 -8.826 6.320 735 HE ARG 149 HE ARG 149 -8.154 -10.804 6.587 736 1HH1 ARG 149 2HH2 ARG 149 -6.948 -7.652 7.714 737 2HH1 ARG 149 1HH2 ARG 149 -8.058 -7.739 9.172 738 1HH2 ARG 149 1HH1 ARG 149 -9.370 -10.791 8.278 739 2HH2 ARG 149 2HH1 ARG 149 -9.333 -9.394 9.468 740 H ASP 150 H ASP 150 -8.669 -5.554 3.921 741 HA ASP 150 HA ASP 150 -7.439 -3.007 4.812 742 1HB ASP 150 1HB ASP 150 -10.102 -4.336 5.661 743 2HB ASP 150 2HB ASP 150 -9.602 -2.735 6.160 744 H ILE 151 H ILE 151 -7.444 -2.273 7.104 745 HA ILE 151 HA ILE 151 -5.508 -3.867 8.563 746 HB ILE 151 HB ILE 151 -5.521 -2.130 10.340 747 1HG1 ILE 151 1HG1 ILE 151 -6.688 0.103 9.823 748 2HG1 ILE 151 2HG1 ILE 151 -7.773 -0.755 8.751 749 1HG2 ILE 151 2HG2 ILE 151 -4.064 -1.974 8.326 750 2HG2 ILE 151 3HG2 ILE 151 -5.281 -0.932 7.543 751 3HG2 ILE 151 1HG2 ILE 151 -4.463 -0.397 9.029 752 1HD1 ILE 151 3HD1 ILE 151 -7.436 -1.336 11.782 753 2HD1 ILE 151 1HD1 ILE 151 -8.705 -0.313 11.069 754 3HD1 ILE 151 2HD1 ILE 151 -8.679 -2.051 10.720 755 H GLU 152 H GLU 152 -5.473 -4.369 10.839 756 HA GLU 152 HA GLU 152 -7.714 -6.220 11.603 757 1HB GLU 152 1HB GLU 152 -5.324 -6.844 11.923 758 2HB GLU 152 2HB GLU 152 -5.091 -5.490 13.026 759 1HG GLU 152 1HG GLU 152 -6.730 -6.545 14.653 760 2HG GLU 152 2HG GLU 152 -6.942 -7.899 13.549 761 HXT GLU 152 HO OH 153 -6.067 -3.689 13.319 No H/Q in entry = 761 Start of MODEL 6 1 1H GLY 58 1H GLY 58 -14.649 -1.794 3.288 2 2H GLY 58 2H GLY 58 -14.359 -0.625 4.393 3 1HA GLY 58 1HA GLY 58 -12.413 -2.029 4.073 4 2HA GLY 58 2HA GLY 58 -12.436 -1.615 2.363 5 H SER 59 H SER 59 -11.529 -0.580 5.500 6 HA SER 59 HA SER 59 -10.832 2.254 4.716 7 1HB SER 59 1HB SER 59 -11.789 1.763 6.972 8 2HB SER 59 2HB SER 59 -10.386 0.766 7.381 9 HG SER 59 HG SER 59 -10.207 2.898 8.108 10 H TRP 60 H TRP 60 -9.042 2.555 3.560 11 HA TRP 60 HA TRP 60 -6.476 1.092 4.267 12 1HB TRP 60 1HB TRP 60 -5.904 1.006 1.843 13 2HB TRP 60 2HB TRP 60 -7.080 -0.120 2.451 14 HD1 TRP 60 HD1 TRP 60 -7.242 3.336 0.638 15 HE1 TRP 60 HE1 TRP 60 -9.205 3.418 -1.151 16 HE3 TRP 60 HE3 TRP 60 -8.949 -1.344 1.537 17 HZ2 TRP 60 HZ2 TRP 60 -11.235 1.526 -1.873 18 HZ3 TRP 60 HZ3 TRP 60 -10.938 -2.157 0.319 19 HH2 TRP 60 HH2 TRP 60 -12.071 -0.744 -1.345 20 H PHE 61 H PHE 61 -7.713 4.128 2.776 21 HA PHE 61 HA PHE 61 -4.957 5.288 2.931 22 1HB PHE 61 1HB PHE 61 -6.437 5.795 0.992 23 2HB PHE 61 2HB PHE 61 -7.569 6.627 2.030 24 HD1 PHE 61 HD2 PHE 61 -3.919 6.676 0.984 25 HD2 PHE 61 HD1 PHE 61 -7.228 9.007 2.426 26 HE1 PHE 61 HE2 PHE 61 -2.553 8.715 0.828 27 HE2 PHE 61 HE1 PHE 61 -5.864 11.044 2.229 28 HZ PHE 61 HZ PHE 61 -3.527 10.904 1.441 29 H PHE 62 H PHE 62 -4.212 6.679 4.374 30 HA PHE 62 HA PHE 62 -5.917 7.494 6.799 31 1HB PHE 62 1HB PHE 62 -2.925 6.994 6.578 32 2HB PHE 62 2HB PHE 62 -3.599 7.998 7.830 33 HD1 PHE 62 HD2 PHE 62 -4.250 4.538 6.349 34 HD2 PHE 62 HD1 PHE 62 -4.130 6.980 9.894 35 HE1 PHE 62 HE2 PHE 62 -4.801 2.588 7.720 36 HE2 PHE 62 HE1 PHE 62 -4.649 5.002 11.257 37 HZ PHE 62 HZ PHE 62 -4.992 2.804 10.180 38 H GLY 63 H GLY 63 -2.987 9.211 5.804 39 1HA GLY 63 1HA GLY 63 -3.712 11.289 4.148 40 2HA GLY 63 2HA GLY 63 -4.658 11.757 5.553 41 H LYS 64 H LYS 64 -1.419 11.234 4.363 42 HA LYS 64 HA LYS 64 0.643 12.174 4.874 43 1HB LYS 64 1HB LYS 64 -0.778 14.228 4.467 44 2HB LYS 64 2HB LYS 64 -0.961 14.414 6.198 45 1HG LYS 64 1HG LYS 64 0.701 15.948 5.455 46 2HG LYS 64 2HG LYS 64 1.539 14.749 6.425 47 1HD LYS 64 1HD LYS 64 2.481 13.667 4.386 48 2HD LYS 64 2HD LYS 64 1.437 14.607 3.344 49 1HE LYS 64 1HE LYS 64 3.696 15.514 3.227 50 2HE LYS 64 2HE LYS 64 2.616 16.723 3.915 51 1HZ LYS 64 1HZ LYS 64 4.491 15.005 5.476 52 2HZ LYS 64 2HZ LYS 64 4.700 16.606 5.127 53 3HZ LYS 64 3HZ LYS 64 3.478 16.133 6.133 54 H ILE 65 H ILE 65 0.870 10.244 6.161 55 HA ILE 65 HA ILE 65 1.588 10.907 9.054 56 HB ILE 65 HB ILE 65 1.096 8.666 9.793 57 1HG1 ILE 65 1HG1 ILE 65 -0.267 8.022 7.124 58 2HG1 ILE 65 2HG1 ILE 65 1.349 7.471 7.547 59 1HG2 ILE 65 2HG2 ILE 65 -0.615 10.485 10.026 60 2HG2 ILE 65 3HG2 ILE 65 -1.408 9.930 8.533 61 3HG2 ILE 65 1HG2 ILE 65 -1.347 8.873 9.964 62 1HD1 ILE 65 3HD1 ILE 65 0.491 6.222 9.535 63 2HD1 ILE 65 1HD1 ILE 65 -1.177 6.719 9.137 64 3HD1 ILE 65 2HD1 ILE 65 -0.265 5.682 8.021 65 HA PRO 66 HA PRO 66 5.715 9.668 7.809 66 1HB PRO 66 1HB PRO 66 6.977 9.203 10.228 67 2HB PRO 66 2HB PRO 66 6.386 10.793 9.725 68 1HG PRO 66 1HG PRO 66 4.990 8.781 11.559 69 2HG PRO 66 2HG PRO 66 5.260 10.516 11.852 70 1HD PRO 66 1HD PRO 66 2.865 9.540 10.840 71 2HD PRO 66 2HD PRO 66 3.485 11.147 10.357 72 H ARG 67 H ARG 67 7.412 7.989 7.980 73 HA ARG 67 HA ARG 67 6.348 5.334 7.338 74 1HB ARG 67 1HB ARG 67 8.548 6.456 6.462 75 2HB ARG 67 2HB ARG 67 9.312 5.911 7.939 76 1HG ARG 67 1HG ARG 67 8.520 3.505 7.348 77 2HG ARG 67 2HG ARG 67 7.911 4.162 5.831 78 1HD ARG 67 1HD ARG 67 10.238 4.841 5.155 79 2HD ARG 67 2HD ARG 67 10.870 4.225 6.699 80 HE ARG 67 HE ARG 67 9.346 2.071 5.451 81 1HH1 ARG 67 2HH2 ARG 67 12.378 3.840 4.890 82 2HH1 ARG 67 1HH2 ARG 67 13.088 2.378 4.038 83 1HH2 ARG 67 1HH1 ARG 67 10.250 0.472 4.467 84 2HH2 ARG 67 2HH1 ARG 67 11.960 0.599 3.816 85 H ALA 68 H ALA 68 7.903 6.552 10.267 86 HA ALA 68 HA ALA 68 8.192 3.933 11.644 87 1HB ALA 68 2HB ALA 68 9.648 5.848 12.275 88 2HB ALA 68 3HB ALA 68 8.239 6.768 12.865 89 3HB ALA 68 1HB ALA 68 8.738 5.266 13.681 90 H LYS 69 H LYS 69 5.667 6.494 11.867 91 HA LYS 69 HA LYS 69 3.966 4.985 13.764 92 1HB LYS 69 1HB LYS 69 3.870 7.464 13.449 93 2HB LYS 69 2HB LYS 69 3.176 7.271 11.855 94 1HG LYS 69 1HG LYS 69 1.808 6.059 14.343 95 2HG LYS 69 2HG LYS 69 1.702 7.781 14.019 96 1HD LYS 69 1HD LYS 69 0.652 7.389 11.798 97 2HD LYS 69 2HD LYS 69 0.770 5.642 12.004 98 1HE LYS 69 1HE LYS 69 -0.728 5.771 14.049 99 2HE LYS 69 2HE LYS 69 -0.872 7.522 13.826 100 1HZ LYS 69 1HZ LYS 69 -1.727 5.466 11.842 101 2HZ LYS 69 2HZ LYS 69 -2.727 6.343 12.821 102 3HZ LYS 69 3HZ LYS 69 -1.863 7.100 11.634 103 H ALA 70 H ALA 70 4.184 5.011 10.223 104 HA ALA 70 HA ALA 70 1.778 3.321 9.727 105 1HB ALA 70 2HB ALA 70 2.654 4.750 7.920 106 2HB ALA 70 3HB ALA 70 4.206 3.875 7.909 107 3HB ALA 70 1HB ALA 70 2.710 3.049 7.414 108 H GLU 71 H GLU 71 5.278 2.556 9.937 109 HA GLU 71 HA GLU 71 5.034 -0.364 9.751 110 1HB GLU 71 1HB GLU 71 7.200 1.400 11.069 111 2HB GLU 71 2HB GLU 71 7.343 -0.343 10.907 112 1HG GLU 71 1HG GLU 71 7.286 -0.203 8.423 113 2HG GLU 71 2HG GLU 71 7.024 1.526 8.478 114 H GLU 72 H GLU 72 4.990 1.785 12.634 115 HA GLU 72 HA GLU 72 4.761 -0.272 14.670 116 1HB GLU 72 1HB GLU 72 5.404 2.009 15.165 117 2HB GLU 72 2HB GLU 72 3.885 2.676 14.617 118 1HG GLU 72 1HG GLU 72 4.050 0.738 17.020 119 2HG GLU 72 2HG GLU 72 4.380 2.454 17.180 120 H MET 73 H MET 73 2.015 1.645 13.184 121 HA MET 73 HA MET 73 -0.117 0.228 14.372 122 1HB MET 73 1HB MET 73 -0.055 2.475 13.127 123 2HB MET 73 2HB MET 73 0.020 1.609 11.606 124 1HG MET 73 1HG MET 73 -2.247 2.425 12.134 125 2HG MET 73 2HG MET 73 -2.224 0.654 12.002 126 1HE MET 73 1HE MET 73 -2.403 3.780 14.408 127 2HE MET 73 3HE MET 73 -2.623 3.041 16.025 128 3HE MET 73 2HE MET 73 -1.030 2.966 15.221 129 H LEU 74 H LEU 74 1.364 -0.486 11.181 130 HA LEU 74 HA LEU 74 -0.329 -2.839 10.607 131 1HB LEU 74 1HB LEU 74 2.380 -2.011 9.399 132 2HB LEU 74 2HB LEU 74 1.362 -3.294 8.787 133 HG LEU 74 HG LEU 74 0.693 -0.301 8.797 134 1HD1 LEU 74 1HD2 LEU 74 1.289 -2.288 6.513 135 2HD1 LEU 74 2HD2 LEU 74 0.750 -0.612 6.292 136 3HD1 LEU 74 3HD2 LEU 74 2.306 -0.934 7.064 137 1HD2 LEU 74 1HD1 LEU 74 -1.158 -2.608 7.950 138 2HD2 LEU 74 2HD1 LEU 74 -1.455 -1.377 9.190 139 3HD2 LEU 74 3HD1 LEU 74 -1.395 -0.906 7.488 140 H SER 75 H SER 75 2.769 -2.600 12.322 141 HA SER 75 HA SER 75 3.310 -5.493 12.444 142 1HB SER 75 1HB SER 75 5.043 -3.752 12.916 143 2HB SER 75 2HB SER 75 4.198 -3.286 14.398 144 HG SER 75 HG SER 75 4.468 -5.454 15.104 145 H LYS 76 H LYS 76 1.200 -3.414 14.418 146 HA LYS 76 HA LYS 76 0.558 -5.398 16.508 147 1HB LYS 76 1HB LYS 76 -1.303 -3.154 15.544 148 2HB LYS 76 2HB LYS 76 -1.408 -4.031 17.055 149 1HG LYS 76 1HG LYS 76 0.734 -1.994 16.252 150 2HG LYS 76 2HG LYS 76 -0.576 -1.757 17.387 151 1HD LYS 76 1HD LYS 76 0.426 -3.428 18.968 152 2HD LYS 76 2HD LYS 76 1.729 -3.764 17.820 153 1HE LYS 76 1HE LYS 76 2.505 -1.357 17.956 154 2HE LYS 76 2HE LYS 76 1.207 -0.996 19.104 155 1HZ LYS 76 2HZ LYS 76 3.393 -2.972 19.556 156 2HZ LYS 76 3HZ LYS 76 3.286 -1.470 20.237 157 3HZ LYS 76 1HZ LYS 76 2.182 -2.636 20.628 158 H GLN 77 H GLN 77 -0.940 -4.752 13.325 159 HA GLN 77 HA GLN 77 -3.302 -6.199 13.631 160 1HB GLN 77 1HB GLN 77 -1.748 -5.095 11.298 161 2HB GLN 77 2HB GLN 77 -2.656 -6.500 10.850 162 1HG GLN 77 1HG GLN 77 -4.053 -4.658 10.405 163 2HG GLN 77 2HG GLN 77 -4.766 -5.547 11.726 164 1HE2 GLN 77 2HE2 GLN 77 -3.713 -1.638 12.330 165 2HE2 GLN 77 1HE2 GLN 77 -3.296 -2.534 10.783 166 H ARG 78 H ARG 78 -4.009 -8.002 13.351 167 HA ARG 78 HA ARG 78 -2.471 -10.526 13.484 168 1HB ARG 78 1HB ARG 78 -4.605 -11.663 13.697 169 2HB ARG 78 2HB ARG 78 -4.583 -10.233 14.697 170 1HG ARG 78 1HG ARG 78 -5.976 -9.014 12.855 171 2HG ARG 78 2HG ARG 78 -6.033 -10.535 11.989 172 1HD ARG 78 1HD ARG 78 -8.107 -10.350 13.113 173 2HD ARG 78 2HD ARG 78 -7.222 -11.619 13.965 174 HE ARG 78 HE ARG 78 -6.680 -9.136 15.378 175 1HH1 ARG 78 2HH2 ARG 78 -9.510 -11.183 14.711 176 2HH1 ARG 78 1HH2 ARG 78 -10.323 -10.582 16.243 177 1HH2 ARG 78 2HH1 ARG 78 -9.363 -9.175 17.499 178 2HH2 ARG 78 1HH1 ARG 78 -7.697 -8.521 17.093 179 H HIS 79 H HIS 79 -3.844 -8.940 10.669 180 HA HIS 79 HA HIS 79 -4.160 -11.416 9.104 181 1HB HIS 79 1HB HIS 79 -4.307 -8.511 8.080 182 2HB HIS 79 2HB HIS 79 -4.889 -9.944 7.271 183 HD2 HIS 79 HD2 HIS 79 -6.950 -11.373 8.685 184 HE1 HIS 79 HE1 HIS 79 -8.408 -7.975 10.580 185 HE2 HIS 79 HE2 HIS 79 -9.032 -10.401 10.024 186 H ASP 80 H ASP 80 -3.096 -12.124 7.349 187 HA ASP 80 HA ASP 80 -0.204 -11.424 7.010 188 1HB ASP 80 1HB ASP 80 -0.008 -13.300 5.480 189 2HB ASP 80 2HB ASP 80 -0.727 -13.778 6.994 190 H GLY 81 H GLY 81 0.398 -9.824 5.813 191 1HA GLY 81 1HA GLY 81 0.531 -8.313 3.869 192 2HA GLY 81 2HA GLY 81 -0.867 -9.059 3.176 193 H ALA 82 H ALA 82 -0.812 -7.843 6.518 194 HA ALA 82 HA ALA 82 -3.145 -6.140 6.168 195 1HB ALA 82 1HB ALA 82 -2.564 -7.091 8.386 196 2HB ALA 82 2HB ALA 82 -1.107 -6.075 8.484 197 3HB ALA 82 3HB ALA 82 -2.722 -5.332 8.483 198 H PHE 83 H PHE 83 -3.168 -4.343 5.008 199 HA PHE 83 HA PHE 83 -0.646 -2.623 4.794 200 1HB PHE 83 1HB PHE 83 -0.963 -2.403 2.487 201 2HB PHE 83 2HB PHE 83 -1.159 -4.078 2.830 202 HD1 PHE 83 HD1 PHE 83 -3.547 -5.108 2.770 203 HD2 PHE 83 HD2 PHE 83 -2.841 -1.031 1.607 204 HE1 PHE 83 HE1 PHE 83 -5.901 -4.886 2.072 205 HE2 PHE 83 HE2 PHE 83 -5.174 -0.851 0.874 206 HZ PHE 83 HZ PHE 83 -6.736 -2.733 1.226 207 H LEU 84 H LEU 84 -0.750 -0.470 4.330 208 HA LEU 84 HA LEU 84 -3.365 0.986 4.248 209 1HB LEU 84 1HB LEU 84 -2.965 2.646 5.898 210 2HB LEU 84 2HB LEU 84 -2.908 1.073 6.627 211 HG LEU 84 HG LEU 84 -0.249 1.349 6.486 212 1HD1 LEU 84 1HD1 LEU 84 -1.133 4.307 6.279 213 2HD1 LEU 84 2HD1 LEU 84 0.489 3.769 6.777 214 3HD1 LEU 84 3HD1 LEU 84 -0.074 3.445 5.145 215 1HD2 LEU 84 3HD2 LEU 84 -1.617 1.284 8.624 216 2HD2 LEU 84 1HD2 LEU 84 -0.210 2.354 8.731 217 3HD2 LEU 84 2HD2 LEU 84 -1.834 3.046 8.518 218 H ILE 85 H ILE 85 -3.311 2.815 3.014 219 HA ILE 85 HA ILE 85 -0.717 3.436 1.509 220 HB ILE 85 HB ILE 85 -3.544 4.417 0.807 221 1HG1 ILE 85 1HG1 ILE 85 -2.970 3.096 -1.411 222 2HG1 ILE 85 2HG1 ILE 85 -1.768 2.251 -0.468 223 1HG2 ILE 85 2HG2 ILE 85 -1.776 6.101 0.172 224 2HG2 ILE 85 3HG2 ILE 85 -0.863 4.841 -0.684 225 3HG2 ILE 85 1HG2 ILE 85 -2.472 5.349 -1.261 226 1HD1 ILE 85 2HD1 ILE 85 -4.815 2.333 0.127 227 2HD1 ILE 85 3HD1 ILE 85 -3.972 1.023 -0.731 228 3HD1 ILE 85 1HD1 ILE 85 -3.633 1.306 0.984 229 H ARG 86 H ARG 86 0.421 4.999 2.397 230 HA ARG 86 HA ARG 86 -0.863 7.293 3.979 231 1HB ARG 86 1HB ARG 86 1.234 7.696 5.052 232 2HB ARG 86 2HB ARG 86 0.822 6.011 5.259 233 1HG ARG 86 1HG ARG 86 2.499 5.454 3.356 234 2HG ARG 86 2HG ARG 86 2.926 7.165 3.320 235 1HD ARG 86 1HD ARG 86 3.536 6.928 5.873 236 2HD ARG 86 2HD ARG 86 3.293 5.204 5.665 237 HE ARG 86 HE ARG 86 5.301 5.015 4.338 238 1HH1 ARG 86 2HH2 ARG 86 4.667 8.445 5.040 239 2HH1 ARG 86 1HH2 ARG 86 6.342 8.888 4.436 240 1HH2 ARG 86 1HH1 ARG 86 7.174 5.634 3.676 241 2HH2 ARG 86 2HH1 ARG 86 7.663 7.402 3.716 242 H GLU 87 H GLU 87 -0.098 9.431 3.568 243 HA GLU 87 HA GLU 87 0.804 9.977 0.702 244 1HB GLU 87 1HB GLU 87 -1.154 11.246 1.556 245 2HB GLU 87 2HB GLU 87 -0.168 11.963 2.820 246 1HG GLU 87 1HG GLU 87 1.298 13.056 1.066 247 2HG GLU 87 2HG GLU 87 0.312 12.343 -0.202 248 H SER 88 H SER 88 2.884 10.388 0.324 249 HA SER 88 HA SER 88 4.901 9.885 2.329 250 1HB SER 88 1HB SER 88 5.119 9.349 -0.122 251 2HB SER 88 2HB SER 88 5.325 11.065 -0.488 252 HG SER 88 HG SER 88 7.134 11.047 0.922 253 H GLU 89 H GLU 89 6.286 11.121 3.421 254 HA GLU 89 HA GLU 89 5.370 13.770 4.192 255 1HB GLU 89 1HB GLU 89 7.979 12.443 5.082 256 2HB GLU 89 2HB GLU 89 7.222 13.834 5.832 257 1HG GLU 89 1HG GLU 89 6.103 10.967 5.772 258 2HG GLU 89 2HG GLU 89 6.841 11.777 7.137 259 H SER 90 H SER 90 8.514 12.908 2.664 260 HA SER 90 HA SER 90 9.359 15.675 2.175 261 1HB SER 90 1HB SER 90 10.916 13.700 2.218 262 2HB SER 90 2HB SER 90 10.233 13.118 0.694 263 HG SER 90 HG SER 90 11.466 15.638 1.156 264 H ALA 91 H ALA 91 7.409 13.463 0.154 265 HA ALA 91 HA ALA 91 6.944 15.769 -1.844 266 1HB ALA 91 3HB ALA 91 7.065 12.766 -2.499 267 2HB ALA 91 1HB ALA 91 6.605 14.067 -3.622 268 3HB ALA 91 2HB ALA 91 8.252 14.012 -2.960 269 HA PRO 92 HA PRO 92 2.745 14.889 0.051 270 1HB PRO 92 1HB PRO 92 2.292 17.691 -1.081 271 2HB PRO 92 2HB PRO 92 1.738 17.016 0.466 272 1HG PRO 92 1HG PRO 92 3.893 18.680 0.410 273 2HG PRO 92 2HG PRO 92 3.939 17.236 1.448 274 1HD PRO 92 1HD PRO 92 5.233 17.600 -1.314 275 2HD PRO 92 2HD PRO 92 5.912 16.870 0.172 276 H GLY 93 H GLY 93 3.504 15.827 -3.151 277 1HA GLY 93 1HA GLY 93 0.854 14.772 -4.316 278 2HA GLY 93 2HA GLY 93 2.113 15.563 -5.238 279 H ASP 94 H ASP 94 2.468 12.892 -2.907 280 HA ASP 94 HA ASP 94 2.810 10.783 -5.024 281 1HB ASP 94 1HB ASP 94 5.112 12.014 -4.777 282 2HB ASP 94 2HB ASP 94 5.190 11.417 -3.133 283 H PHE 95 H PHE 95 1.885 9.017 -4.153 284 HA PHE 95 HA PHE 95 1.535 8.748 -1.128 285 1HB PHE 95 1HB PHE 95 0.119 7.406 -3.505 286 2HB PHE 95 2HB PHE 95 -0.089 6.894 -1.858 287 HD1 PHE 95 HD1 PHE 95 0.050 10.528 -1.657 288 HD2 PHE 95 HD2 PHE 95 -2.472 7.246 -2.842 289 HE1 PHE 95 HE1 PHE 95 -1.920 11.956 -1.454 290 HE2 PHE 95 HE2 PHE 95 -4.438 8.704 -2.622 291 HZ PHE 95 HZ PHE 95 -4.168 11.058 -1.938 292 H SER 96 H SER 96 1.552 6.441 -0.352 293 HA SER 96 HA SER 96 3.752 4.707 -1.504 294 1HB SER 96 1HB SER 96 3.997 5.919 1.328 295 2HB SER 96 2HB SER 96 4.960 4.567 0.725 296 HG SER 96 HG SER 96 5.986 6.553 0.463 297 H LEU 97 H LEU 97 2.812 2.830 -1.581 298 HA LEU 97 HA LEU 97 0.660 1.872 0.284 299 1HB LEU 97 1HB LEU 97 0.562 1.371 -2.126 300 2HB LEU 97 2HB LEU 97 2.114 0.551 -2.073 301 HG LEU 97 HG LEU 97 1.006 -1.110 -0.407 302 1HD1 LEU 97 2HD1 LEU 97 -1.047 0.132 0.194 303 2HD1 LEU 97 3HD1 LEU 97 -1.613 0.073 -1.500 304 3HD1 LEU 97 1HD1 LEU 97 -1.456 -1.423 -0.547 305 1HD2 LEU 97 3HD2 LEU 97 1.579 -1.741 -2.738 306 2HD2 LEU 97 1HD2 LEU 97 0.054 -2.499 -2.264 307 3HD2 LEU 97 2HD2 LEU 97 0.038 -1.074 -3.337 308 H SER 98 H SER 98 1.283 1.361 2.169 309 HA SER 98 HA SER 98 3.944 0.046 2.957 310 1HB SER 98 1HB SER 98 1.757 1.038 4.822 311 2HB SER 98 2HB SER 98 3.445 0.728 5.200 312 HG SER 98 HG SER 98 2.975 2.915 4.955 313 H VAL 99 H VAL 99 3.801 -2.208 2.787 314 HA VAL 99 HA VAL 99 1.147 -3.602 3.546 315 HB VAL 99 HB VAL 99 3.196 -4.689 1.530 316 1HG1 VAL 99 2HG1 VAL 99 1.800 -6.489 2.621 317 2HG1 VAL 99 3HG1 VAL 99 0.311 -5.648 2.154 318 3HG1 VAL 99 1HG1 VAL 99 1.387 -6.328 0.912 319 1HG2 VAL 99 2HG2 VAL 99 0.545 -3.283 0.849 320 2HG2 VAL 99 3HG2 VAL 99 2.198 -2.744 0.445 321 3HG2 VAL 99 1HG2 VAL 99 1.548 -4.211 -0.297 322 H LYS 100 H LYS 100 1.294 -4.998 5.134 323 HA LYS 100 HA LYS 100 3.850 -5.613 6.565 324 1HB LYS 100 1HB LYS 100 1.774 -5.198 7.820 325 2HB LYS 100 2HB LYS 100 0.982 -6.559 7.066 326 1HG LYS 100 1HG LYS 100 1.551 -7.185 9.294 327 2HG LYS 100 2HG LYS 100 2.533 -8.155 8.212 328 1HD LYS 100 1HD LYS 100 4.521 -6.593 8.666 329 2HD LYS 100 2HD LYS 100 3.485 -5.648 9.732 330 1HE LYS 100 1HE LYS 100 4.805 -7.046 11.156 331 2HE LYS 100 2HE LYS 100 3.162 -7.677 11.233 332 1HZ LYS 100 3HZ LYS 100 5.379 -8.816 9.587 333 2HZ LYS 100 1HZ LYS 100 4.795 -9.445 10.999 334 3HZ LYS 100 2HZ LYS 100 3.844 -9.424 9.648 335 H PHE 101 H PHE 101 5.204 -6.952 5.516 336 HA PHE 101 HA PHE 101 4.246 -9.527 4.165 337 1HB PHE 101 1HB PHE 101 6.867 -7.908 4.046 338 2HB PHE 101 2HB PHE 101 6.861 -9.583 3.651 339 HD1 PHE 101 HD2 PHE 101 4.127 -7.057 2.576 340 HD2 PHE 101 HD1 PHE 101 7.359 -9.671 1.415 341 HE1 PHE 101 HE2 PHE 101 3.827 -6.436 0.226 342 HE2 PHE 101 HE1 PHE 101 7.088 -8.954 -0.897 343 HZ PHE 101 HZ PHE 101 5.307 -7.361 -1.509 344 H GLY 102 H GLY 102 6.351 -11.194 4.689 345 1HA GLY 102 1HA GLY 102 5.715 -12.293 7.340 346 2HA GLY 102 2HA GLY 102 6.977 -12.865 6.270 347 H ASN 103 H ASN 103 6.333 -11.170 9.095 348 HA ASN 103 HA ASN 103 7.579 -10.294 10.777 349 1HB ASN 103 1HB ASN 103 9.190 -12.228 10.271 350 2HB ASN 103 2HB ASN 103 10.206 -11.097 9.409 351 1HD2 ASN 103 1HD2 ASN 103 11.770 -10.101 12.491 352 2HD2 ASN 103 2HD2 ASN 103 11.763 -10.121 10.656 353 H ASP 104 H ASP 104 7.807 -8.792 7.794 354 HA ASP 104 HA ASP 104 8.892 -6.231 9.038 355 1HB ASP 104 1HB ASP 104 10.165 -7.475 6.504 356 2HB ASP 104 2HB ASP 104 10.449 -5.839 7.066 357 H VAL 105 H VAL 105 8.188 -4.418 8.073 358 HA VAL 105 HA VAL 105 5.863 -4.682 6.131 359 HB VAL 105 HB VAL 105 6.748 -2.210 7.701 360 1HG1 VAL 105 2HG1 VAL 105 5.399 -1.688 5.567 361 2HG1 VAL 105 3HG1 VAL 105 4.066 -2.651 6.220 362 3HG1 VAL 105 1HG1 VAL 105 4.608 -1.178 7.065 363 1HG2 VAL 105 3HG2 VAL 105 5.841 -3.975 9.274 364 2HG2 VAL 105 1HG2 VAL 105 4.775 -2.568 9.179 365 3HG2 VAL 105 2HG2 VAL 105 4.349 -4.053 8.306 366 H GLN 106 H GLN 106 6.413 -4.612 4.073 367 HA GLN 106 HA GLN 106 8.859 -3.098 3.080 368 1HB GLN 106 1HB GLN 106 7.085 -5.202 1.704 369 2HB GLN 106 2HB GLN 106 8.273 -4.235 0.840 370 1HG GLN 106 1HG GLN 106 10.105 -5.023 2.367 371 2HG GLN 106 2HG GLN 106 8.948 -6.020 3.245 372 1HE2 GLN 106 2HE2 GLN 106 10.196 -8.593 1.042 373 2HE2 GLN 106 1HE2 GLN 106 10.200 -7.863 2.725 374 H HIS 107 H HIS 107 8.657 -1.165 2.337 375 HA HIS 107 HA HIS 107 5.980 0.051 1.654 376 1HB HIS 107 1HB HIS 107 8.746 1.144 2.472 377 2HB HIS 107 2HB HIS 107 7.592 2.170 1.703 378 HD2 HIS 107 HD2 HIS 107 7.233 -0.396 4.701 379 HE1 HIS 107 HE1 HIS 107 5.181 3.019 5.757 380 HE2 HIS 107 HE2 HIS 107 5.873 0.740 6.654 381 H PHE 108 H PHE 108 5.428 0.444 -0.312 382 HA PHE 108 HA PHE 108 7.442 0.416 -2.642 383 1HB PHE 108 1HB PHE 108 4.473 -0.378 -2.779 384 2HB PHE 108 2HB PHE 108 5.608 -0.401 -4.094 385 HD1 PHE 108 HD2 PHE 108 7.466 -2.140 -4.176 386 HD2 PHE 108 HD1 PHE 108 4.475 -2.214 -1.079 387 HE1 PHE 108 HE2 PHE 108 8.149 -4.422 -3.554 388 HE2 PHE 108 HE1 PHE 108 5.185 -4.477 -0.460 389 HZ PHE 108 HZ PHE 108 7.033 -5.586 -1.690 390 H LYS 109 H LYS 109 7.500 2.239 -3.769 391 HA LYS 109 HA LYS 109 5.878 4.602 -2.902 392 1HB LYS 109 1HB LYS 109 8.063 4.434 -5.058 393 2HB LYS 109 2HB LYS 109 7.123 5.877 -4.723 394 1HG LYS 109 1HG LYS 109 7.893 5.738 -2.248 395 2HG LYS 109 2HG LYS 109 8.978 4.447 -2.743 396 1HD LYS 109 1HD LYS 109 10.295 6.427 -2.714 397 2HD LYS 109 2HD LYS 109 10.070 6.048 -4.418 398 1HE LYS 109 1HE LYS 109 8.241 7.834 -4.561 399 2HE LYS 109 2HE LYS 109 8.434 8.166 -2.835 400 1HZ LYS 109 3HZ LYS 109 10.558 8.513 -4.898 401 2HZ LYS 109 1HZ LYS 109 9.683 9.724 -4.194 402 3HZ LYS 109 2HZ LYS 109 10.739 8.833 -3.288 403 H VAL 110 H VAL 110 3.967 4.958 -3.600 404 HA VAL 110 HA VAL 110 2.909 4.075 -6.305 405 HB VAL 110 HB VAL 110 1.511 5.468 -3.954 406 1HG1 VAL 110 1HG2 VAL 110 0.271 4.483 -6.597 407 2HG1 VAL 110 2HG2 VAL 110 -0.639 5.058 -5.170 408 3HG1 VAL 110 3HG2 VAL 110 0.395 6.177 -6.068 409 1HG2 VAL 110 3HG1 VAL 110 2.036 3.013 -3.545 410 2HG2 VAL 110 1HG1 VAL 110 0.298 3.344 -3.621 411 3HG2 VAL 110 2HG1 VAL 110 1.120 2.590 -5.007 412 H LEU 111 H LEU 111 3.995 5.258 -7.720 413 HA LEU 111 HA LEU 111 4.519 8.178 -7.511 414 1HB LEU 111 1HB LEU 111 4.821 6.342 -9.958 415 2HB LEU 111 2HB LEU 111 5.497 7.949 -9.792 416 HG LEU 111 HG LEU 111 6.300 5.485 -8.126 417 1HD1 LEU 111 2HD1 LEU 111 6.998 5.298 -10.510 418 2HD1 LEU 111 3HD1 LEU 111 7.805 6.883 -10.430 419 3HD1 LEU 111 1HD1 LEU 111 8.410 5.515 -9.459 420 1HD2 LEU 111 2HD2 LEU 111 7.571 8.306 -8.116 421 2HD2 LEU 111 3HD2 LEU 111 6.705 7.525 -6.768 422 3HD2 LEU 111 1HD2 LEU 111 8.251 6.864 -7.316 423 H ARG 112 H ARG 112 3.406 9.814 -8.460 424 HA ARG 112 HA ARG 112 0.717 9.127 -9.782 425 1HB ARG 112 1HB ARG 112 1.533 11.592 -8.121 426 2HB ARG 112 2HB ARG 112 -0.003 11.427 -8.955 427 1HG ARG 112 1HG ARG 112 -0.651 9.471 -7.599 428 2HG ARG 112 2HG ARG 112 0.925 9.409 -6.828 429 1HD ARG 112 1HD ARG 112 -0.487 10.404 -5.213 430 2HD ARG 112 2HD ARG 112 0.534 11.707 -5.815 431 HE ARG 112 HE ARG 112 -2.023 11.624 -7.309 432 1HH1 ARG 112 2HH2 ARG 112 -0.686 12.638 -4.176 433 2HH1 ARG 112 1HH2 ARG 112 -2.105 13.773 -3.922 434 1HH2 ARG 112 1HH1 ARG 112 -3.592 12.946 -6.914 435 2HH2 ARG 112 2HH1 ARG 112 -3.637 13.934 -5.368 436 H ASP 113 H ASP 113 0.617 9.630 -11.884 437 HA ASP 113 HA ASP 113 2.654 11.454 -13.165 438 1HB ASP 113 1HB ASP 113 1.921 10.739 -15.370 439 2HB ASP 113 2HB ASP 113 2.568 9.483 -14.365 440 H GLY 114 H GLY 114 -0.939 11.302 -13.602 441 1HA GLY 114 1HA GLY 114 -0.920 14.177 -14.533 442 2HA GLY 114 2HA GLY 114 -2.281 13.079 -14.562 443 H ALA 115 H ALA 115 -3.812 13.418 -13.063 444 HA ALA 115 HA ALA 115 -3.383 15.366 -10.775 445 1HB ALA 115 2HB ALA 115 -5.383 15.722 -12.165 446 2HB ALA 115 3HB ALA 115 -5.986 14.086 -11.805 447 3HB ALA 115 1HB ALA 115 -5.853 15.296 -10.506 448 H GLY 116 H GLY 116 -5.386 12.412 -10.619 449 1HA GLY 116 1HA GLY 116 -3.543 11.278 -8.402 450 2HA GLY 116 2HA GLY 116 -5.288 11.108 -8.368 451 H LYS 117 H LYS 117 -2.640 10.603 -10.742 452 HA LYS 117 HA LYS 117 -4.013 8.057 -11.761 453 1HB LYS 117 1HB LYS 117 -1.647 9.580 -12.989 454 2HB LYS 117 2HB LYS 117 -2.501 8.232 -13.713 455 1HG LYS 117 1HG LYS 117 -3.628 11.048 -13.184 456 2HG LYS 117 2HG LYS 117 -3.040 10.441 -14.719 457 1HD LYS 117 1HD LYS 117 -4.874 8.744 -14.813 458 2HD LYS 117 2HD LYS 117 -5.495 9.260 -13.251 459 1HE LYS 117 1HE LYS 117 -5.268 11.139 -15.710 460 2HE LYS 117 2HE LYS 117 -6.705 10.201 -15.327 461 1HZ LYS 117 2HZ LYS 117 -6.866 11.377 -13.198 462 2HZ LYS 117 3HZ LYS 117 -5.518 12.268 -13.543 463 3HZ LYS 117 1HZ LYS 117 -6.880 12.441 -14.462 464 H TYR 118 H TYR 118 -3.471 6.850 -9.997 465 HA TYR 118 HA TYR 118 -0.797 6.761 -8.788 466 1HB TYR 118 1HB TYR 118 -3.196 4.851 -8.287 467 2HB TYR 118 2HB TYR 118 -1.859 5.111 -7.221 468 HD1 TYR 118 HD1 TYR 118 -1.536 7.727 -6.420 469 HD2 TYR 118 HD2 TYR 118 -5.229 5.930 -7.705 470 HE1 TYR 118 HE1 TYR 118 -2.808 9.518 -5.319 471 HE2 TYR 118 HE2 TYR 118 -6.481 7.712 -6.584 472 HH TYR 118 HH TYR 118 -4.805 10.350 -4.864 473 H PHE 119 H PHE 119 0.855 5.604 -9.540 474 HA PHE 119 HA PHE 119 0.445 2.743 -10.505 475 1HB PHE 119 1HB PHE 119 1.842 2.839 -12.357 476 2HB PHE 119 2HB PHE 119 0.658 4.072 -12.557 477 HD1 PHE 119 HD1 PHE 119 1.348 6.591 -12.139 478 HD2 PHE 119 HD2 PHE 119 4.185 3.382 -12.549 479 HE1 PHE 119 HE1 PHE 119 3.131 8.207 -12.622 480 HE2 PHE 119 HE2 PHE 119 5.942 5.017 -13.093 481 HZ PHE 119 HZ PHE 119 5.419 7.433 -13.129 482 H LEU 120 H LEU 120 1.503 1.527 -9.076 483 HA LEU 120 HA LEU 120 4.164 2.433 -7.919 484 1HB LEU 120 1HB LEU 120 4.272 0.653 -6.428 485 2HB LEU 120 2HB LEU 120 2.841 1.590 -6.164 486 HG LEU 120 HG LEU 120 2.707 -1.092 -7.683 487 1HD1 LEU 120 2HD2 LEU 120 2.584 -0.680 -4.629 488 2HD1 LEU 120 3HD2 LEU 120 2.182 -2.194 -5.478 489 3HD1 LEU 120 1HD2 LEU 120 3.837 -1.565 -5.533 490 1HD2 LEU 120 3HD1 LEU 120 0.620 0.332 -7.805 491 2HD2 LEU 120 1HD1 LEU 120 0.335 -1.127 -6.857 492 3HD2 LEU 120 2HD1 LEU 120 0.579 0.422 -6.026 493 H TRP 121 H TRP 121 2.895 -0.244 -9.936 494 HA TRP 121 HA TRP 121 5.710 -1.080 -10.691 495 1HB TRP 121 1HB TRP 121 2.988 -2.181 -11.594 496 2HB TRP 121 2HB TRP 121 4.529 -2.723 -12.209 497 HD1 TRP 121 HD1 TRP 121 5.064 -2.437 -8.456 498 HE1 TRP 121 HE1 TRP 121 4.859 -4.793 -7.291 499 HE3 TRP 121 HE3 TRP 121 2.900 -4.846 -12.406 500 HZ2 TRP 121 HZ2 TRP 121 3.837 -7.331 -8.172 501 HZ3 TRP 121 HZ3 TRP 121 2.357 -7.246 -12.190 502 HH2 TRP 121 HH2 TRP 121 2.833 -8.468 -10.106 503 H VAL 122 H VAL 122 3.008 -0.628 -12.974 504 HA VAL 122 HA VAL 122 4.524 1.531 -14.483 505 HB VAL 122 HB VAL 122 3.664 -1.013 -15.846 506 1HG1 VAL 122 1HG1 VAL 122 3.438 0.941 -17.392 507 2HG1 VAL 122 2HG1 VAL 122 5.111 1.438 -17.044 508 3HG1 VAL 122 3HG1 VAL 122 4.781 -0.087 -17.907 509 1HG2 VAL 122 2HG2 VAL 122 6.544 -0.047 -15.311 510 2HG2 VAL 122 3HG2 VAL 122 5.770 -1.493 -14.617 511 3HG2 VAL 122 1HG2 VAL 122 6.103 -1.427 -16.350 512 H VAL 123 H VAL 123 1.541 -0.495 -14.607 513 HA VAL 123 HA VAL 123 0.129 1.552 -16.171 514 HB VAL 123 HB VAL 123 -0.195 -0.837 -16.557 515 1HG1 VAL 123 3HG2 VAL 123 -0.254 -1.789 -14.229 516 2HG1 VAL 123 1HG2 VAL 123 -1.841 -1.036 -13.956 517 3HG1 VAL 123 2HG2 VAL 123 -1.652 -2.301 -15.192 518 1HG2 VAL 123 2HG1 VAL 123 -1.906 0.785 -17.362 519 2HG2 VAL 123 3HG1 VAL 123 -2.612 -0.806 -17.015 520 3HG2 VAL 123 1HG1 VAL 123 -2.858 0.542 -15.878 521 H LYS 124 H LYS 124 -1.118 3.129 -15.554 522 HA LYS 124 HA LYS 124 -1.411 3.725 -12.644 523 1HB LYS 124 1HB LYS 124 -1.728 5.978 -13.151 524 2HB LYS 124 2HB LYS 124 -0.437 5.433 -14.166 525 1HG LYS 124 1HG LYS 124 -3.342 6.004 -15.037 526 2HG LYS 124 2HG LYS 124 -1.981 7.080 -15.250 527 1HD LYS 124 1HD LYS 124 -2.334 4.355 -16.632 528 2HD LYS 124 2HD LYS 124 -2.657 5.931 -17.337 529 1HE LYS 124 1HE LYS 124 -0.200 6.568 -17.098 530 2HE LYS 124 2HE LYS 124 0.144 4.973 -16.412 531 1HZ LYS 124 1HZ LYS 124 -0.955 5.451 -19.138 532 2HZ LYS 124 2HZ LYS 124 0.602 5.030 -18.778 533 3HZ LYS 124 3HZ LYS 124 -0.630 3.966 -18.491 534 H PHE 125 H PHE 125 -3.203 4.729 -11.770 535 HA PHE 125 HA PHE 125 -5.928 3.566 -12.569 536 1HB PHE 125 1HB PHE 125 -4.590 3.176 -9.802 537 2HB PHE 125 2HB PHE 125 -6.242 2.775 -10.174 538 HD1 PHE 125 HD2 PHE 125 -6.687 1.008 -12.095 539 HD2 PHE 125 HD1 PHE 125 -2.860 1.510 -10.190 540 HE1 PHE 125 HE2 PHE 125 -5.988 -1.216 -12.885 541 HE2 PHE 125 HE1 PHE 125 -2.176 -0.706 -11.003 542 HZ PHE 125 HZ PHE 125 -3.727 -2.061 -12.368 543 H ASN 126 H ASN 126 -7.344 5.169 -12.461 544 HA ASN 126 HA ASN 126 -6.844 7.807 -11.365 545 1HB ASN 126 1HB ASN 126 -9.525 6.465 -12.126 546 2HB ASN 126 2HB ASN 126 -9.427 8.119 -11.584 547 1HD2 ASN 126 1HD2 ASN 126 -8.255 7.363 -15.431 548 2HD2 ASN 126 2HD2 ASN 126 -8.538 5.991 -14.247 549 H SER 127 H SER 127 -8.626 5.111 -9.827 550 HA SER 127 HA SER 127 -8.778 6.728 -7.217 551 1HB SER 127 1HB SER 127 -10.999 6.109 -8.271 552 2HB SER 127 2HB SER 127 -10.578 4.395 -8.164 553 HG SER 127 HG SER 127 -10.742 6.240 -6.010 554 H LEU 128 H LEU 128 -8.286 5.699 -5.312 555 HA LEU 128 HA LEU 128 -6.300 3.504 -5.297 556 1HB LEU 128 1HB LEU 128 -7.790 4.794 -2.960 557 2HB LEU 128 2HB LEU 128 -6.662 3.473 -2.744 558 HG LEU 128 HG LEU 128 -5.914 6.188 -3.957 559 1HD1 LEU 128 2HD1 LEU 128 -6.452 6.342 -1.519 560 2HD1 LEU 128 3HD1 LEU 128 -5.353 4.987 -1.157 561 3HD1 LEU 128 1HD1 LEU 128 -4.706 6.527 -1.754 562 1HD2 LEU 128 2HD2 LEU 128 -4.107 3.772 -3.283 563 2HD2 LEU 128 3HD2 LEU 128 -4.369 4.494 -4.886 564 3HD2 LEU 128 1HD2 LEU 128 -3.506 5.407 -3.652 565 H ASN 129 H ASN 129 -9.813 3.452 -5.058 566 HA ASN 129 HA ASN 129 -10.148 0.689 -4.139 567 1HB ASN 129 1HB ASN 129 -11.970 2.394 -4.217 568 2HB ASN 129 2HB ASN 129 -11.937 2.383 -5.967 569 1HD2 ASN 129 1HD2 ASN 129 -13.937 -0.626 -4.000 570 2HD2 ASN 129 2HD2 ASN 129 -12.877 0.575 -3.105 571 H GLU 130 H GLU 130 -9.548 2.032 -7.416 572 HA GLU 130 HA GLU 130 -9.570 -0.600 -8.801 573 1HB GLU 130 1HB GLU 130 -8.362 2.049 -9.774 574 2HB GLU 130 2HB GLU 130 -8.584 0.608 -10.745 575 1HG GLU 130 1HG GLU 130 -10.837 2.335 -9.550 576 2HG GLU 130 2HG GLU 130 -10.296 2.329 -11.216 577 H LEU 131 H LEU 131 -6.858 1.477 -7.576 578 HA LEU 131 HA LEU 131 -4.697 -0.346 -8.304 579 1HB LEU 131 1HB LEU 131 -4.392 2.003 -7.705 580 2HB LEU 131 2HB LEU 131 -4.872 1.744 -6.051 581 HG LEU 131 HG LEU 131 -2.472 0.151 -7.119 582 1HD1 LEU 131 2HD2 LEU 131 -2.062 2.498 -7.911 583 2HD1 LEU 131 3HD2 LEU 131 -2.332 3.115 -6.261 584 3HD1 LEU 131 1HD2 LEU 131 -0.934 2.076 -6.613 585 1HD2 LEU 131 3HD1 LEU 131 -3.043 1.427 -4.352 586 2HD2 LEU 131 1HD1 LEU 131 -3.172 -0.301 -4.745 587 3HD2 LEU 131 2HD1 LEU 131 -1.593 0.488 -4.779 588 H VAL 132 H VAL 132 -6.588 -0.214 -5.266 589 HA VAL 132 HA VAL 132 -5.082 -2.368 -3.975 590 HB VAL 132 HB VAL 132 -6.311 -0.478 -2.827 591 1HG1 VAL 132 2HG1 VAL 132 -8.596 -0.817 -3.959 592 2HG1 VAL 132 3HG1 VAL 132 -8.859 -2.205 -2.887 593 3HG1 VAL 132 1HG1 VAL 132 -8.606 -0.578 -2.208 594 1HG2 VAL 132 1HG2 VAL 132 -5.318 -2.272 -1.534 595 2HG2 VAL 132 2HG2 VAL 132 -6.849 -1.744 -0.811 596 3HG2 VAL 132 3HG2 VAL 132 -6.776 -3.289 -1.701 597 H ASP 133 H ASP 133 -8.313 -2.439 -5.560 598 HA ASP 133 HA ASP 133 -8.758 -5.298 -5.383 599 1HB ASP 133 1HB ASP 133 -10.468 -3.529 -6.030 600 2HB ASP 133 2HB ASP 133 -9.703 -3.369 -7.601 601 H TYR 134 H TYR 134 -6.827 -3.466 -7.787 602 HA TYR 134 HA TYR 134 -6.133 -5.656 -9.574 603 1HB TYR 134 1HB TYR 134 -5.670 -3.408 -10.263 604 2HB TYR 134 2HB TYR 134 -4.716 -3.046 -8.859 605 HD1 TYR 134 HD1 TYR 134 -4.679 -5.406 -11.847 606 HD2 TYR 134 HD2 TYR 134 -2.344 -3.118 -9.045 607 HE1 TYR 134 HE1 TYR 134 -2.627 -5.975 -13.075 608 HE2 TYR 134 HE2 TYR 134 -0.309 -3.671 -10.300 609 HH TYR 134 HH TYR 134 0.558 -4.767 -12.015 610 H HIS 135 H HIS 135 -4.240 -4.529 -6.656 611 HA HIS 135 HA HIS 135 -2.678 -7.061 -6.782 612 1HB HIS 135 1HB HIS 135 -2.391 -4.691 -4.881 613 2HB HIS 135 2HB HIS 135 -1.527 -6.189 -4.619 614 HD2 HIS 135 HD2 HIS 135 -0.433 -3.116 -5.742 615 HE1 HIS 135 HE1 HIS 135 1.197 -5.511 -8.709 616 HE2 HIS 135 HE2 HIS 135 1.386 -3.170 -7.668 617 H ARG 136 H ARG 136 -5.660 -6.639 -5.376 618 HA ARG 136 HA ARG 136 -5.337 -8.922 -3.450 619 1HB ARG 136 1HB ARG 136 -7.860 -7.753 -4.769 620 2HB ARG 136 2HB ARG 136 -7.885 -9.079 -3.616 621 1HG ARG 136 1HG ARG 136 -6.887 -7.664 -1.828 622 2HG ARG 136 2HG ARG 136 -6.705 -6.322 -2.944 623 1HD ARG 136 1HD ARG 136 -9.295 -6.423 -3.306 624 2HD ARG 136 2HD ARG 136 -9.370 -7.544 -1.957 625 HE ARG 136 HE ARG 136 -8.868 -4.590 -1.881 626 1HH1 ARG 136 2HH2 ARG 136 -8.546 -7.573 0.036 627 2HH1 ARG 136 1HH2 ARG 136 -8.609 -6.601 1.592 628 1HH2 ARG 136 1HH1 ARG 136 -8.935 -3.590 -0.038 629 2HH2 ARG 136 2HH1 ARG 136 -8.814 -4.502 1.549 630 H SER 137 H SER 137 -5.699 -8.699 -6.932 631 HA SER 137 HA SER 137 -6.153 -11.680 -7.217 632 1HB SER 137 1HB SER 137 -6.553 -9.489 -9.340 633 2HB SER 137 2HB SER 137 -6.683 -11.226 -9.637 634 HG SER 137 HG SER 137 -8.205 -9.744 -7.761 635 H THR 138 H THR 138 -4.048 -9.000 -8.337 636 HA THR 138 HA THR 138 -1.949 -10.912 -9.408 637 HB THR 138 HB THR 138 -2.069 -7.818 -9.227 638 HG1 THR 138 HG1 THR 138 -2.254 -9.616 -11.405 639 1HG2 THR 138 3HG2 THR 138 0.093 -9.496 -10.655 640 2HG2 THR 138 1HG2 THR 138 -0.147 -7.736 -10.819 641 3HG2 THR 138 2HG2 THR 138 0.340 -8.416 -9.262 642 H SER 139 H SER 139 -0.027 -11.312 -8.377 643 HA SER 139 HA SER 139 0.205 -10.846 -5.451 644 1HB SER 139 1HB SER 139 1.071 -12.926 -6.495 645 2HB SER 139 2HB SER 139 2.273 -12.010 -7.419 646 HG SER 139 HG SER 139 3.095 -11.260 -5.416 647 H VAL 140 H VAL 140 0.912 -9.038 -4.561 648 HA VAL 140 HA VAL 140 2.180 -6.776 -5.897 649 HB VAL 140 HB VAL 140 0.797 -6.548 -3.906 650 1HG1 VAL 140 3HG1 VAL 140 3.117 -7.690 -2.229 651 2HG1 VAL 140 1HG1 VAL 140 1.684 -6.869 -1.578 652 3HG1 VAL 140 2HG1 VAL 140 1.508 -8.411 -2.434 653 1HG2 VAL 140 1HG2 VAL 140 2.311 -4.687 -4.580 654 2HG2 VAL 140 2HG2 VAL 140 1.997 -4.704 -2.834 655 3HG2 VAL 140 3HG2 VAL 140 3.560 -5.282 -3.459 656 H SER 141 H SER 141 3.713 -9.516 -4.202 657 HA SER 141 HA SER 141 6.445 -8.333 -4.257 658 1HB SER 141 1HB SER 141 5.614 -9.916 -2.469 659 2HB SER 141 2HB SER 141 5.583 -11.230 -3.630 660 HG SER 141 HG SER 141 7.831 -9.648 -2.913 661 H ARG 142 H ARG 142 4.725 -10.491 -6.507 662 HA ARG 142 HA ARG 142 5.268 -11.125 -8.668 663 1HB ARG 142 1HB ARG 142 8.110 -10.013 -8.495 664 2HB ARG 142 2HB ARG 142 7.365 -10.760 -9.892 665 1HG ARG 142 1HG ARG 142 5.608 -8.970 -9.972 666 2HG ARG 142 2HG ARG 142 6.328 -8.185 -8.561 667 1HD ARG 142 1HD ARG 142 8.492 -7.860 -9.836 668 2HD ARG 142 2HD ARG 142 7.779 -8.656 -11.251 669 HE ARG 142 HE ARG 142 6.035 -6.434 -10.502 670 1HH1 ARG 142 2HH2 ARG 142 9.270 -6.959 -11.881 671 2HH1 ARG 142 1HH2 ARG 142 9.172 -5.354 -12.764 672 1HH2 ARG 142 1HH1 ARG 142 6.035 -4.622 -11.556 673 2HH2 ARG 142 2HH1 ARG 142 7.466 -4.125 -12.591 674 H ASN 143 H ASN 143 8.436 -11.764 -7.119 675 HA ASN 143 HA ASN 143 8.440 -14.569 -8.012 676 1HB ASN 143 1HB ASN 143 10.255 -13.206 -5.928 677 2HB ASN 143 2HB ASN 143 10.469 -14.841 -6.507 678 1HD2 ASN 143 1HD2 ASN 143 11.951 -11.872 -8.828 679 2HD2 ASN 143 2HD2 ASN 143 11.140 -11.567 -7.210 680 H GLN 144 H GLN 144 8.042 -13.244 -4.684 681 HA GLN 144 HA GLN 144 6.966 -15.866 -3.635 682 1HB GLN 144 1HB GLN 144 7.094 -13.063 -2.342 683 2HB GLN 144 2HB GLN 144 6.478 -14.502 -1.546 684 1HG GLN 144 1HG GLN 144 8.729 -15.617 -1.720 685 2HG GLN 144 2HG GLN 144 9.380 -14.196 -2.525 686 1HE2 GLN 144 2HE2 GLN 144 9.034 -14.082 1.543 687 2HE2 GLN 144 1HE2 GLN 144 8.533 -15.537 0.544 688 H GLN 145 H GLN 145 4.815 -16.154 -2.961 689 HA GLN 145 HA GLN 145 2.680 -14.527 -4.424 690 1HB GLN 145 1HB GLN 145 2.474 -17.208 -2.945 691 2HB GLN 145 2HB GLN 145 1.097 -16.312 -3.568 692 1HG GLN 145 1HG GLN 145 2.051 -16.401 -5.906 693 2HG GLN 145 2HG GLN 145 3.423 -17.329 -5.324 694 1HE2 GLN 145 2HE2 GLN 145 1.526 -20.409 -5.242 695 2HE2 GLN 145 1HE2 GLN 145 3.099 -19.547 -4.852 696 H ILE 146 H ILE 146 2.847 -12.666 -3.234 697 HA ILE 146 HA ILE 146 1.858 -12.740 -0.334 698 HB ILE 146 HB ILE 146 3.432 -10.421 -1.554 699 1HG1 ILE 146 1HG1 ILE 146 5.003 -12.279 -1.527 700 2HG1 ILE 146 2HG1 ILE 146 5.433 -11.081 -0.346 701 1HG2 ILE 146 2HG2 ILE 146 2.552 -11.055 1.335 702 2HG2 ILE 146 3HG2 ILE 146 3.745 -9.818 0.924 703 3HG2 ILE 146 1HG2 ILE 146 2.089 -9.658 0.331 704 1HD1 ILE 146 2HD1 ILE 146 4.556 -12.561 1.509 705 2HD1 ILE 146 3HD1 ILE 146 4.137 -13.800 0.285 706 3HD1 ILE 146 1HD1 ILE 146 5.836 -13.330 0.538 707 H PHE 147 H PHE 147 0.311 -11.111 0.199 708 HA PHE 147 HA PHE 147 -1.409 -10.060 -2.002 709 1HB PHE 147 1HB PHE 147 -2.291 -12.680 -0.612 710 2HB PHE 147 2HB PHE 147 -3.475 -11.583 -1.259 711 HD1 PHE 147 HD1 PHE 147 -3.458 -10.917 -3.701 712 HD2 PHE 147 HD2 PHE 147 -0.978 -14.115 -2.233 713 HE1 PHE 147 HE1 PHE 147 -3.121 -11.715 -5.981 714 HE2 PHE 147 HE2 PHE 147 -0.647 -14.896 -4.556 715 HZ PHE 147 HZ PHE 147 -1.723 -13.708 -6.427 716 H LEU 148 H LEU 148 -2.960 -8.757 -1.442 717 HA LEU 148 HA LEU 148 -2.554 -7.376 1.132 718 1HB LEU 148 1HB LEU 148 -4.097 -6.766 -1.454 719 2HB LEU 148 2HB LEU 148 -4.401 -5.813 -0.039 720 HG LEU 148 HG LEU 148 -2.018 -5.139 0.161 721 1HD1 LEU 148 1HD2 LEU 148 -1.578 -6.707 -2.457 722 2HD1 LEU 148 2HD2 LEU 148 -0.457 -5.469 -1.828 723 3HD1 LEU 148 3HD2 LEU 148 -0.754 -6.947 -0.902 724 1HD2 LEU 148 2HD1 LEU 148 -3.643 -3.704 -1.032 725 2HD2 LEU 148 3HD1 LEU 148 -2.054 -3.571 -1.800 726 3HD2 LEU 148 1HD1 LEU 148 -3.333 -4.545 -2.572 727 H ARG 149 H ARG 149 -3.570 -7.895 2.919 728 HA ARG 149 HA ARG 149 -6.577 -8.477 2.964 729 1HB ARG 149 1HB ARG 149 -4.375 -9.023 5.066 730 2HB ARG 149 2HB ARG 149 -6.085 -9.193 5.392 731 1HG ARG 149 1HG ARG 149 -4.571 -10.808 3.256 732 2HG ARG 149 2HG ARG 149 -4.872 -11.359 4.889 733 1HD ARG 149 1HD ARG 149 -7.076 -10.680 2.835 734 2HD ARG 149 2HD ARG 149 -6.439 -12.297 3.146 735 HE ARG 149 HE ARG 149 -7.290 -11.331 5.723 736 1HH1 ARG 149 2HH2 ARG 149 -8.863 -12.052 2.617 737 2HH1 ARG 149 1HH2 ARG 149 -10.440 -12.408 3.484 738 1HH2 ARG 149 1HH1 ARG 149 -9.130 -11.758 6.604 739 2HH2 ARG 149 2HH1 ARG 149 -10.579 -12.253 5.591 740 H ASP 150 H ASP 150 -7.873 -7.057 3.957 741 HA ASP 150 HA ASP 150 -6.878 -4.345 4.508 742 1HB ASP 150 1HB ASP 150 -9.145 -4.973 3.452 743 2HB ASP 150 2HB ASP 150 -9.726 -5.397 5.051 744 H ILE 151 H ILE 151 -6.753 -3.225 6.354 745 HA ILE 151 HA ILE 151 -5.745 -4.602 8.668 746 HB ILE 151 HB ILE 151 -5.626 -2.309 9.773 747 1HG1 ILE 151 1HG1 ILE 151 -6.579 -1.100 7.117 748 2HG1 ILE 151 2HG1 ILE 151 -7.662 -1.316 8.480 749 1HG2 ILE 151 1HG2 ILE 151 -4.365 -2.692 7.012 750 2HG2 ILE 151 2HG2 ILE 151 -3.837 -1.471 8.195 751 3HG2 ILE 151 3HG2 ILE 151 -3.715 -3.194 8.580 752 1HD1 ILE 151 1HD1 ILE 151 -6.219 0.150 9.932 753 2HD1 ILE 151 2HD1 ILE 151 -5.108 0.409 8.562 754 3HD1 ILE 151 3HD1 ILE 151 -6.786 0.990 8.469 755 H GLU 152 H GLU 152 -6.241 -4.344 10.891 756 HA GLU 152 HA GLU 152 -9.164 -4.961 11.462 757 1HB GLU 152 1HB GLU 152 -7.302 -6.575 12.178 758 2HB GLU 152 2HB GLU 152 -6.698 -5.351 13.269 759 1HG GLU 152 1HG GLU 152 -8.000 -6.919 14.550 760 2HG GLU 152 2HG GLU 152 -8.884 -5.406 14.551 761 HXT GLU 152 HO OH 153 -10.257 -3.411 11.956 No H/Q in entry = 761 Start of MODEL 7 1 1H GLY 58 1H GLY 58 -14.099 -0.051 3.410 2 2H GLY 58 2H GLY 58 -14.207 -1.479 4.198 3 1HA GLY 58 1HA GLY 58 -11.961 -1.314 5.046 4 2HA GLY 58 2HA GLY 58 -12.017 -1.252 3.288 5 H SER 59 H SER 59 -11.388 0.548 6.178 6 HA SER 59 HA SER 59 -10.817 3.158 4.749 7 1HB SER 59 1HB SER 59 -11.921 3.184 6.990 8 2HB SER 59 2HB SER 59 -10.495 2.442 7.729 9 HG SER 59 HG SER 59 -10.580 4.890 6.285 10 H TRP 60 H TRP 60 -9.034 3.122 3.580 11 HA TRP 60 HA TRP 60 -6.459 1.917 4.675 12 1HB TRP 60 1HB TRP 60 -5.795 1.403 2.342 13 2HB TRP 60 2HB TRP 60 -6.985 0.403 3.108 14 HD1 TRP 60 HD1 TRP 60 -7.145 3.478 0.669 15 HE1 TRP 60 HE1 TRP 60 -8.834 3.002 -1.338 16 HE3 TRP 60 HE3 TRP 60 -8.826 -0.967 2.434 17 HZ2 TRP 60 HZ2 TRP 60 -10.587 0.786 -1.911 18 HZ3 TRP 60 HZ3 TRP 60 -10.566 -2.193 1.175 19 HH2 TRP 60 HH2 TRP 60 -11.427 -1.330 -0.962 20 H PHE 61 H PHE 61 -7.607 4.635 2.618 21 HA PHE 61 HA PHE 61 -4.910 5.945 2.903 22 1HB PHE 61 1HB PHE 61 -6.185 6.240 0.783 23 2HB PHE 61 2HB PHE 61 -7.460 7.088 1.624 24 HD1 PHE 61 HD1 PHE 61 -3.752 7.224 0.888 25 HD2 PHE 61 HD2 PHE 61 -7.206 9.499 2.049 26 HE1 PHE 61 HE1 PHE 61 -2.421 9.289 0.807 27 HE2 PHE 61 HE2 PHE 61 -5.869 11.561 1.946 28 HZ PHE 61 HZ PHE 61 -3.479 11.463 1.338 29 H PHE 62 H PHE 62 -4.416 7.439 4.338 30 HA PHE 62 HA PHE 62 -6.525 8.490 6.318 31 1HB PHE 62 1HB PHE 62 -3.742 7.527 7.102 32 2HB PHE 62 2HB PHE 62 -4.840 8.383 8.152 33 HD1 PHE 62 HD1 PHE 62 -7.170 7.321 8.680 34 HD2 PHE 62 HD2 PHE 62 -4.006 5.096 6.796 35 HE1 PHE 62 HE1 PHE 62 -8.329 5.214 9.199 36 HE2 PHE 62 HE2 PHE 62 -5.186 2.996 7.323 37 HZ PHE 62 HZ PHE 62 -7.351 3.056 8.511 38 H GLY 63 H GLY 63 -3.052 9.294 5.959 39 1HA GLY 63 1HA GLY 63 -3.420 11.680 4.348 40 2HA GLY 63 2HA GLY 63 -3.578 12.190 6.036 41 H LYS 64 H LYS 64 -1.707 13.370 6.091 42 HA LYS 64 HA LYS 64 0.952 12.232 5.204 43 1HB LYS 64 1HB LYS 64 0.303 14.985 6.389 44 2HB LYS 64 2HB LYS 64 1.910 14.433 5.941 45 1HG LYS 64 1HG LYS 64 1.160 14.108 3.542 46 2HG LYS 64 2HG LYS 64 -0.449 14.658 3.982 47 1HD LYS 64 1HD LYS 64 0.543 16.547 3.002 48 2HD LYS 64 2HD LYS 64 0.564 16.903 4.724 49 1HE LYS 64 1HE LYS 64 3.030 16.212 4.806 50 2HE LYS 64 2HE LYS 64 2.968 15.834 3.076 51 1HZ LYS 64 1HZ LYS 64 2.423 18.171 2.645 52 2HZ LYS 64 2HZ LYS 64 2.484 18.525 4.258 53 3HZ LYS 64 3HZ LYS 64 3.851 18.043 3.466 54 H ILE 65 H ILE 65 1.113 10.535 6.566 55 HA ILE 65 HA ILE 65 1.605 11.072 9.537 56 HB ILE 65 HB ILE 65 0.937 8.805 10.075 57 1HG1 ILE 65 1HG1 ILE 65 -0.064 8.419 7.203 58 2HG1 ILE 65 2HG1 ILE 65 1.426 7.726 7.830 59 1HG2 ILE 65 1HG2 ILE 65 -0.700 10.698 10.224 60 2HG2 ILE 65 2HG2 ILE 65 -1.324 10.289 8.608 61 3HG2 ILE 65 3HG2 ILE 65 -1.495 9.139 9.956 62 1HD1 ILE 65 1HD1 ILE 65 0.158 6.445 9.585 63 2HD1 ILE 65 2HD1 ILE 65 -1.376 7.056 8.902 64 3HD1 ILE 65 3HD1 ILE 65 -0.314 6.020 7.922 65 HA PRO 66 HA PRO 66 5.828 9.780 8.809 66 1HB PRO 66 1HB PRO 66 6.703 8.997 11.328 67 2HB PRO 66 2HB PRO 66 6.310 10.664 10.880 68 1HG PRO 66 1HG PRO 66 4.532 8.660 12.341 69 2HG PRO 66 2HG PRO 66 4.855 10.352 12.782 70 1HD PRO 66 1HD PRO 66 2.580 9.586 11.387 71 2HD PRO 66 2HD PRO 66 3.342 11.177 11.096 72 H ARG 67 H ARG 67 7.290 8.075 8.620 73 HA ARG 67 HA ARG 67 6.124 5.530 7.792 74 1HB ARG 67 1HB ARG 67 8.265 6.770 6.901 75 2HB ARG 67 2HB ARG 67 9.134 6.017 8.219 76 1HG ARG 67 1HG ARG 67 8.291 3.705 7.300 77 2HG ARG 67 2HG ARG 67 7.567 4.607 5.984 78 1HD ARG 67 1HD ARG 67 9.571 3.870 5.020 79 2HD ARG 67 2HD ARG 67 9.919 5.538 5.410 80 HE ARG 67 HE ARG 67 11.415 4.845 7.236 81 1HH1 ARG 67 2HH2 ARG 67 9.983 2.017 5.616 82 2HH1 ARG 67 1HH2 ARG 67 11.227 0.923 6.405 83 1HH2 ARG 67 1HH1 ARG 67 12.774 3.506 8.074 84 2HH2 ARG 67 2HH1 ARG 67 12.698 1.711 7.701 85 H ALA 68 H ALA 68 7.924 6.361 10.714 86 HA ALA 68 HA ALA 68 8.341 3.592 11.697 87 1HB ALA 68 2HB ALA 68 9.857 5.423 12.410 88 2HB ALA 68 3HB ALA 68 8.522 6.245 13.258 89 3HB ALA 68 1HB ALA 68 9.099 4.657 13.818 90 H LYS 69 H LYS 69 5.861 6.079 12.524 91 HA LYS 69 HA LYS 69 4.372 4.274 14.365 92 1HB LYS 69 1HB LYS 69 3.340 6.791 12.945 93 2HB LYS 69 2HB LYS 69 2.470 5.909 14.177 94 1HG LYS 69 1HG LYS 69 5.145 7.364 14.631 95 2HG LYS 69 2HG LYS 69 3.550 7.980 15.024 96 1HD LYS 69 1HD LYS 69 3.203 6.059 16.669 97 2HD LYS 69 2HD LYS 69 4.802 5.454 16.271 98 1HE LYS 69 1HE LYS 69 5.057 6.633 18.330 99 2HE LYS 69 2HE LYS 69 5.847 7.624 17.106 100 1HZ LYS 69 3HZ LYS 69 3.113 8.093 18.215 101 2HZ LYS 69 1HZ LYS 69 4.473 8.955 18.585 102 3HZ LYS 69 2HZ LYS 69 3.833 9.033 17.064 103 H ALA 70 H ALA 70 4.227 4.787 10.869 104 HA ALA 70 HA ALA 70 1.749 3.177 10.420 105 1HB ALA 70 2HB ALA 70 2.506 4.773 8.669 106 2HB ALA 70 3HB ALA 70 4.027 3.873 8.449 107 3HB ALA 70 1HB ALA 70 2.474 3.122 8.017 108 H GLU 71 H GLU 71 5.247 2.392 10.356 109 HA GLU 71 HA GLU 71 4.996 -0.494 9.899 110 1HB GLU 71 1HB GLU 71 7.207 1.120 11.304 111 2HB GLU 71 2HB GLU 71 7.326 -0.603 10.982 112 1HG GLU 71 1HG GLU 71 7.246 -0.274 8.540 113 2HG GLU 71 2HG GLU 71 6.913 1.438 8.719 114 H GLU 72 H GLU 72 5.097 1.363 12.975 115 HA GLU 72 HA GLU 72 5.036 -0.900 14.784 116 1HB GLU 72 1HB GLU 72 5.714 1.443 15.352 117 2HB GLU 72 2HB GLU 72 4.043 1.979 15.225 118 1HG GLU 72 1HG GLU 72 3.423 0.488 17.179 119 2HG GLU 72 2HG GLU 72 5.076 -0.115 17.254 120 H MET 73 H MET 73 2.247 1.089 13.632 121 HA MET 73 HA MET 73 0.165 -0.497 14.968 122 1HB MET 73 1HB MET 73 0.118 1.552 12.675 123 2HB MET 73 2HB MET 73 -1.322 0.642 13.056 124 1HG MET 73 1HG MET 73 -1.416 2.779 14.196 125 2HG MET 73 2HG MET 73 -1.389 1.476 15.382 126 1HE MET 73 3HE MET 73 -0.297 2.217 17.541 127 2HE MET 73 2HE MET 73 0.827 0.943 16.969 128 3HE MET 73 1HE MET 73 1.469 2.467 17.647 129 H LEU 74 H LEU 74 1.369 -0.704 11.586 130 HA LEU 74 HA LEU 74 -0.383 -2.959 10.840 131 1HB LEU 74 1HB LEU 74 2.030 -1.582 9.571 132 2HB LEU 74 2HB LEU 74 1.619 -3.157 9.005 133 HG LEU 74 HG LEU 74 -0.629 -2.547 8.338 134 1HD1 LEU 74 3HD2 LEU 74 -1.268 -0.795 9.996 135 2HD1 LEU 74 1HD2 LEU 74 -0.078 0.334 9.298 136 3HD1 LEU 74 2HD2 LEU 74 -1.485 -0.214 8.343 137 1HD2 LEU 74 1HD1 LEU 74 1.518 -0.578 7.298 138 2HD2 LEU 74 2HD1 LEU 74 1.206 -2.228 6.698 139 3HD2 LEU 74 3HD1 LEU 74 -0.010 -0.958 6.477 140 H SER 75 H SER 75 2.918 -2.987 12.224 141 HA SER 75 HA SER 75 3.403 -5.853 12.017 142 1HB SER 75 1HB SER 75 5.141 -4.162 12.640 143 2HB SER 75 2HB SER 75 4.362 -3.913 14.209 144 HG SER 75 HG SER 75 6.059 -5.404 14.272 145 H LYS 76 H LYS 76 1.313 -4.127 14.295 146 HA LYS 76 HA LYS 76 0.831 -6.323 16.194 147 1HB LYS 76 1HB LYS 76 -1.240 -4.183 15.457 148 2HB LYS 76 2HB LYS 76 -1.170 -5.143 16.918 149 1HG LYS 76 1HG LYS 76 0.693 -2.852 16.107 150 2HG LYS 76 2HG LYS 76 -0.549 -2.821 17.340 151 1HD LYS 76 1HD LYS 76 0.745 -4.468 18.738 152 2HD LYS 76 2HD LYS 76 1.993 -4.566 17.490 153 1HE LYS 76 1HE LYS 76 2.470 -2.080 17.754 154 2HE LYS 76 2HE LYS 76 1.235 -1.981 19.018 155 1HZ LYS 76 2HZ LYS 76 2.532 -3.586 20.325 156 2HZ LYS 76 3HZ LYS 76 3.683 -3.677 19.144 157 3HZ LYS 76 1HZ LYS 76 3.442 -2.258 19.956 158 H GLN 77 H GLN 77 -0.638 -5.595 13.030 159 HA GLN 77 HA GLN 77 -2.927 -7.366 13.246 160 1HB GLN 77 1HB GLN 77 -1.547 -5.979 10.874 161 2HB GLN 77 2HB GLN 77 -2.711 -7.234 10.565 162 1HG GLN 77 1HG GLN 77 -3.926 -5.248 10.418 163 2HG GLN 77 2HG GLN 77 -4.470 -6.095 11.834 164 1HE2 GLN 77 2HE2 GLN 77 -3.219 -2.284 12.247 165 2HE2 GLN 77 1HE2 GLN 77 -3.126 -3.170 10.646 166 H ARG 78 H ARG 78 -3.081 -9.309 13.070 167 HA ARG 78 HA ARG 78 -1.035 -11.362 12.562 168 1HB ARG 78 1HB ARG 78 -2.837 -12.993 12.873 169 2HB ARG 78 2HB ARG 78 -2.908 -11.741 14.085 170 1HG ARG 78 1HG ARG 78 -4.815 -10.612 12.703 171 2HG ARG 78 2HG ARG 78 -4.743 -11.982 11.614 172 1HD ARG 78 1HD ARG 78 -6.593 -12.311 13.084 173 2HD ARG 78 2HD ARG 78 -5.389 -13.540 13.490 174 HE ARG 78 HE ARG 78 -4.896 -11.323 15.286 175 1HH1 ARG 78 2HH2 ARG 78 -7.579 -13.573 14.671 176 2HH1 ARG 78 1HH2 ARG 78 -8.164 -13.368 16.398 177 1HH2 ARG 78 1HH1 ARG 78 -5.650 -11.164 17.224 178 2HH2 ARG 78 2HH1 ARG 78 -7.143 -12.095 17.745 179 H HIS 79 H HIS 79 -3.071 -9.790 10.206 180 HA HIS 79 HA HIS 79 -3.214 -12.100 8.363 181 1HB HIS 79 1HB HIS 79 -4.013 -9.193 7.745 182 2HB HIS 79 2HB HIS 79 -4.493 -10.621 6.869 183 HD2 HIS 79 HD2 HIS 79 -6.054 -12.503 8.444 184 HE1 HIS 79 HE1 HIS 79 -7.531 -9.602 11.026 185 HE2 HIS 79 HE2 HIS 79 -7.910 -12.030 10.283 186 H ASP 80 H ASP 80 -2.091 -12.517 6.582 187 HA ASP 80 HA ASP 80 0.351 -10.939 5.835 188 1HB ASP 80 1HB ASP 80 0.894 -12.639 4.210 189 2HB ASP 80 2HB ASP 80 0.632 -13.316 5.793 190 H GLY 81 H GLY 81 0.110 -9.172 4.715 191 1HA GLY 81 1HA GLY 81 -0.652 -7.982 2.653 192 2HA GLY 81 2HA GLY 81 -2.202 -8.774 2.750 193 H ALA 82 H ALA 82 -1.569 -7.844 5.953 194 HA ALA 82 HA ALA 82 -3.699 -5.900 5.993 195 1HB ALA 82 1HB ALA 82 -3.074 -7.173 8.000 196 2HB ALA 82 2HB ALA 82 -1.498 -6.352 8.100 197 3HB ALA 82 3HB ALA 82 -3.004 -5.441 8.347 198 H PHE 83 H PHE 83 -3.664 -3.977 4.996 199 HA PHE 83 HA PHE 83 -1.053 -2.370 4.929 200 1HB PHE 83 1HB PHE 83 -1.268 -2.007 2.654 201 2HB PHE 83 2HB PHE 83 -1.582 -3.674 2.869 202 HD1 PHE 83 HD2 PHE 83 -4.022 -4.545 2.695 203 HD2 PHE 83 HD1 PHE 83 -3.008 -0.501 1.684 204 HE1 PHE 83 HE2 PHE 83 -6.274 -4.212 1.801 205 HE2 PHE 83 HE1 PHE 83 -5.254 -0.201 0.718 206 HZ PHE 83 HZ PHE 83 -6.905 -2.030 0.837 207 H LEU 84 H LEU 84 -1.080 -0.219 4.403 208 HA LEU 84 HA LEU 84 -3.593 1.379 4.344 209 1HB LEU 84 1HB LEU 84 -3.091 3.065 5.948 210 2HB LEU 84 2HB LEU 84 -3.177 1.506 6.712 211 HG LEU 84 HG LEU 84 -0.586 1.509 6.838 212 1HD1 LEU 84 3HD1 LEU 84 -0.937 4.474 6.021 213 2HD1 LEU 84 1HD1 LEU 84 0.505 3.831 6.842 214 3HD1 LEU 84 2HD1 LEU 84 0.100 3.263 5.231 215 1HD2 LEU 84 3HD2 LEU 84 -2.125 2.055 8.791 216 2HD2 LEU 84 1HD2 LEU 84 -0.601 2.957 8.874 217 3HD2 LEU 84 2HD2 LEU 84 -2.092 3.771 8.334 218 H ILE 85 H ILE 85 -3.344 3.385 3.297 219 HA ILE 85 HA ILE 85 -0.728 3.739 1.710 220 HB ILE 85 HB ILE 85 -3.480 4.923 1.008 221 1HG1 ILE 85 1HG1 ILE 85 -3.049 3.634 -1.217 222 2HG1 ILE 85 2HG1 ILE 85 -1.816 2.729 -0.371 223 1HG2 ILE 85 3HG2 ILE 85 -1.593 6.500 0.422 224 2HG2 ILE 85 1HG2 ILE 85 -0.767 5.197 -0.457 225 3HG2 ILE 85 2HG2 ILE 85 -2.335 5.832 -1.027 226 1HD1 ILE 85 3HD1 ILE 85 -4.817 2.847 0.411 227 2HD1 ILE 85 1HD1 ILE 85 -4.071 1.574 -0.585 228 3HD1 ILE 85 2HD1 ILE 85 -3.609 1.741 1.116 229 H ARG 86 H ARG 86 0.514 5.166 2.677 230 HA ARG 86 HA ARG 86 -0.625 7.552 4.224 231 1HB ARG 86 1HB ARG 86 1.450 7.865 5.316 232 2HB ARG 86 2HB ARG 86 0.931 6.214 5.567 233 1HG ARG 86 1HG ARG 86 2.645 5.436 3.836 234 2HG ARG 86 2HG ARG 86 3.104 7.120 3.583 235 1HD ARG 86 1HD ARG 86 3.648 7.187 6.186 236 2HD ARG 86 2HD ARG 86 3.505 5.439 6.128 237 HE ARG 86 HE ARG 86 5.548 5.281 4.825 238 1HH1 ARG 86 2HH2 ARG 86 4.637 8.702 5.186 239 2HH1 ARG 86 1HH2 ARG 86 6.249 9.218 4.478 240 1HH2 ARG 86 1HH1 ARG 86 7.344 5.986 4.030 241 2HH2 ARG 86 2HH1 ARG 86 7.674 7.784 3.869 242 H GLU 87 H GLU 87 -0.230 9.574 3.539 243 HA GLU 87 HA GLU 87 0.943 10.094 0.812 244 1HB GLU 87 1HB GLU 87 -1.123 11.264 1.629 245 2HB GLU 87 2HB GLU 87 -0.198 12.068 2.889 246 1HG GLU 87 1HG GLU 87 1.188 13.237 1.129 247 2HG GLU 87 2HG GLU 87 0.335 12.379 -0.143 248 H SER 88 H SER 88 2.960 10.882 0.462 249 HA SER 88 HA SER 88 4.992 10.675 2.581 250 1HB SER 88 1HB SER 88 5.322 11.697 -0.309 251 2HB SER 88 2HB SER 88 6.637 11.335 0.808 252 HG SER 88 HG SER 88 4.632 9.527 -0.059 253 H GLU 89 H GLU 89 6.102 12.182 3.639 254 HA GLU 89 HA GLU 89 4.798 14.742 4.174 255 1HB GLU 89 1HB GLU 89 7.397 13.544 5.278 256 2HB GLU 89 2HB GLU 89 6.855 15.147 5.710 257 1HG GLU 89 1HG GLU 89 6.125 13.739 7.470 258 2HG GLU 89 2HG GLU 89 4.691 14.272 6.615 259 H SER 90 H SER 90 8.106 14.196 2.836 260 HA SER 90 HA SER 90 8.541 17.001 2.096 261 1HB SER 90 1HB SER 90 10.466 16.226 0.784 262 2HB SER 90 2HB SER 90 10.443 15.491 2.382 263 HG SER 90 HG SER 90 9.500 13.631 1.423 264 H ALA 91 H ALA 91 7.173 14.307 0.177 265 HA ALA 91 HA ALA 91 6.467 16.306 -2.059 266 1HB ALA 91 3HB ALA 91 6.912 13.277 -2.295 267 2HB ALA 91 1HB ALA 91 6.361 14.361 -3.594 268 3HB ALA 91 2HB ALA 91 7.980 14.572 -2.895 269 HA PRO 92 HA PRO 92 2.345 15.071 -0.130 270 1HB PRO 92 1HB PRO 92 0.905 17.385 -0.761 271 2HB PRO 92 2HB PRO 92 1.946 17.193 0.659 272 1HG PRO 92 1HG PRO 92 2.659 18.489 -2.016 273 2HG PRO 92 2HG PRO 92 2.959 19.123 -0.382 274 1HD PRO 92 1HD PRO 92 4.912 17.830 -1.837 275 2HD PRO 92 2HD PRO 92 4.846 17.660 -0.056 276 H GLY 93 H GLY 93 3.055 15.904 -3.362 277 1HA GLY 93 1HA GLY 93 0.560 14.458 -4.466 278 2HA GLY 93 2HA GLY 93 1.696 15.375 -5.436 279 H ASP 94 H ASP 94 2.336 12.883 -2.950 280 HA ASP 94 HA ASP 94 3.006 10.759 -4.958 281 1HB ASP 94 1HB ASP 94 5.155 12.230 -4.730 282 2HB ASP 94 2HB ASP 94 5.254 11.734 -3.053 283 H PHE 95 H PHE 95 2.128 9.020 -4.053 284 HA PHE 95 HA PHE 95 1.723 8.821 -1.031 285 1HB PHE 95 1HB PHE 95 0.384 7.392 -3.401 286 2HB PHE 95 2HB PHE 95 0.104 6.973 -1.739 287 HD1 PHE 95 HD2 PHE 95 0.238 10.582 -1.626 288 HD2 PHE 95 HD1 PHE 95 -2.207 7.305 -2.973 289 HE1 PHE 95 HE2 PHE 95 -1.724 12.038 -1.637 290 HE2 PHE 95 HE1 PHE 95 -4.168 8.788 -2.958 291 HZ PHE 95 HZ PHE 95 -3.932 11.152 -2.295 292 H SER 96 H SER 96 1.719 6.549 -0.196 293 HA SER 96 HA SER 96 3.986 4.779 -1.198 294 1HB SER 96 1HB SER 96 4.060 6.086 1.607 295 2HB SER 96 2HB SER 96 5.081 4.742 1.085 296 HG SER 96 HG SER 96 4.927 7.293 -0.138 297 H LEU 97 H LEU 97 2.960 2.928 -1.268 298 HA LEU 97 HA LEU 97 0.655 2.149 0.508 299 1HB LEU 97 1HB LEU 97 0.594 1.767 -1.909 300 2HB LEU 97 2HB LEU 97 2.063 0.803 -1.861 301 HG LEU 97 HG LEU 97 0.744 -0.817 -0.321 302 1HD1 LEU 97 3HD2 LEU 97 -1.217 0.568 0.252 303 2HD1 LEU 97 1HD2 LEU 97 -1.711 0.626 -1.465 304 3HD1 LEU 97 2HD2 LEU 97 -1.721 -0.914 -0.573 305 1HD2 LEU 97 2HD1 LEU 97 1.376 -1.371 -2.672 306 2HD2 LEU 97 3HD1 LEU 97 -0.219 -2.041 -2.282 307 3HD2 LEU 97 1HD1 LEU 97 -0.093 -0.569 -3.278 308 H SER 98 H SER 98 1.244 1.624 2.410 309 HA SER 98 HA SER 98 3.738 0.075 3.268 310 1HB SER 98 1HB SER 98 1.546 1.062 5.125 311 2HB SER 98 2HB SER 98 3.243 0.765 5.479 312 HG SER 98 HG SER 98 2.751 2.944 5.308 313 H VAL 99 H VAL 99 3.470 -2.184 3.000 314 HA VAL 99 HA VAL 99 0.727 -3.433 3.676 315 HB VAL 99 HB VAL 99 2.608 -4.543 1.505 316 1HG1 VAL 99 3HG1 VAL 99 -0.278 -5.265 2.323 317 2HG1 VAL 99 1HG1 VAL 99 0.461 -5.810 0.817 318 3HG1 VAL 99 2HG1 VAL 99 1.156 -6.301 2.372 319 1HG2 VAL 99 2HG2 VAL 99 0.127 -2.804 0.985 320 2HG2 VAL 99 3HG2 VAL 99 1.831 -2.411 0.622 321 3HG2 VAL 99 1HG2 VAL 99 1.034 -3.732 -0.240 322 H LYS 100 H LYS 100 0.885 -4.762 5.276 323 HA LYS 100 HA LYS 100 3.533 -5.942 6.208 324 1HB LYS 100 1HB LYS 100 1.981 -4.799 7.781 325 2HB LYS 100 2HB LYS 100 0.824 -6.091 7.636 326 1HG LYS 100 1HG LYS 100 3.757 -6.561 8.531 327 2HG LYS 100 2HG LYS 100 2.528 -6.003 9.634 328 1HD LYS 100 1HD LYS 100 1.122 -8.103 8.993 329 2HD LYS 100 2HD LYS 100 2.560 -8.718 8.190 330 1HE LYS 100 1HE LYS 100 2.341 -7.975 11.187 331 2HE LYS 100 2HE LYS 100 2.240 -9.603 10.524 332 1HZ LYS 100 1HZ LYS 100 4.541 -9.365 9.724 333 2HZ LYS 100 2HZ LYS 100 4.643 -7.851 10.378 334 3HZ LYS 100 3HZ LYS 100 4.445 -9.164 11.362 335 H PHE 101 H PHE 101 3.997 -7.505 4.726 336 HA PHE 101 HA PHE 101 2.161 -9.967 4.642 337 1HB PHE 101 1HB PHE 101 2.113 -8.597 2.491 338 2HB PHE 101 2HB PHE 101 3.798 -8.959 2.235 339 HD1 PHE 101 HD2 PHE 101 4.468 -11.523 2.015 340 HD2 PHE 101 HD1 PHE 101 0.399 -10.137 1.776 341 HE1 PHE 101 HE2 PHE 101 3.788 -13.649 0.992 342 HE2 PHE 101 HE1 PHE 101 -0.260 -12.269 0.761 343 HZ PHE 101 HZ PHE 101 1.426 -14.033 0.370 344 H GLY 102 H GLY 102 3.171 -11.374 5.854 345 1HA GLY 102 1HA GLY 102 4.762 -13.019 6.506 346 2HA GLY 102 2HA GLY 102 5.644 -12.651 5.041 347 H ASN 103 H ASN 103 5.096 -11.419 8.340 348 HA ASN 103 HA ASN 103 6.474 -10.540 9.954 349 1HB ASN 103 1HB ASN 103 8.892 -11.670 8.445 350 2HB ASN 103 2HB ASN 103 8.943 -11.028 10.062 351 1HD2 ASN 103 1HD2 ASN 103 7.544 -13.998 11.572 352 2HD2 ASN 103 2HD2 ASN 103 7.871 -12.204 11.781 353 H ASP 104 H ASP 104 6.699 -9.113 6.956 354 HA ASP 104 HA ASP 104 8.314 -6.742 8.077 355 1HB ASP 104 1HB ASP 104 8.497 -7.819 5.193 356 2HB ASP 104 2HB ASP 104 9.287 -6.379 5.812 357 H VAL 105 H VAL 105 7.633 -4.795 7.618 358 HA VAL 105 HA VAL 105 5.011 -4.355 6.119 359 HB VAL 105 HB VAL 105 6.470 -2.365 7.914 360 1HG1 VAL 105 3HG2 VAL 105 5.005 -1.298 6.107 361 2HG1 VAL 105 1HG2 VAL 105 3.624 -2.251 6.663 362 3HG1 VAL 105 2HG2 VAL 105 4.339 -1.009 7.721 363 1HG2 VAL 105 1HG1 VAL 105 3.954 -4.020 8.574 364 2HG2 VAL 105 2HG1 VAL 105 5.540 -4.173 9.359 365 3HG2 VAL 105 3HG1 VAL 105 4.590 -2.695 9.564 366 H GLN 106 H GLN 106 5.381 -4.065 4.085 367 HA GLN 106 HA GLN 106 8.053 -3.068 3.022 368 1HB GLN 106 1HB GLN 106 5.793 -4.716 1.744 369 2HB GLN 106 2HB GLN 106 7.167 -4.093 0.837 370 1HG GLN 106 1HG GLN 106 8.788 -5.345 2.093 371 2HG GLN 106 2HG GLN 106 7.636 -5.815 3.329 372 1HE2 GLN 106 2HE2 GLN 106 6.277 -8.553 1.375 373 2HE2 GLN 106 1HE2 GLN 106 6.063 -7.451 2.826 374 H HIS 107 H HIS 107 8.120 -1.056 2.536 375 HA HIS 107 HA HIS 107 5.669 0.598 1.899 376 1HB HIS 107 1HB HIS 107 8.545 1.217 2.807 377 2HB HIS 107 2HB HIS 107 7.559 2.444 2.099 378 HD2 HIS 107 HD2 HIS 107 7.060 -0.198 4.992 379 HE1 HIS 107 HE1 HIS 107 4.892 3.130 6.054 380 HE2 HIS 107 HE2 HIS 107 5.638 0.873 6.933 381 H PHE 108 H PHE 108 5.163 0.162 -0.121 382 HA PHE 108 HA PHE 108 7.185 0.192 -2.383 383 1HB PHE 108 1HB PHE 108 4.177 -0.359 -2.600 384 2HB PHE 108 2HB PHE 108 5.374 -0.618 -3.828 385 HD1 PHE 108 HD2 PHE 108 7.259 -2.415 -3.378 386 HD2 PHE 108 HD1 PHE 108 3.647 -2.161 -1.051 387 HE1 PHE 108 HE2 PHE 108 7.530 -4.758 -2.674 388 HE2 PHE 108 HE1 PHE 108 3.908 -4.523 -0.410 389 HZ PHE 108 HZ PHE 108 5.839 -5.826 -1.228 390 H LYS 109 H LYS 109 7.460 1.974 -3.509 391 HA LYS 109 HA LYS 109 6.054 4.481 -2.747 392 1HB LYS 109 1HB LYS 109 8.237 4.031 -4.880 393 2HB LYS 109 2HB LYS 109 7.602 5.602 -4.463 394 1HG LYS 109 1HG LYS 109 9.103 3.732 -2.535 395 2HG LYS 109 2HG LYS 109 9.798 5.090 -3.389 396 1HD LYS 109 1HD LYS 109 7.621 5.276 -1.210 397 2HD LYS 109 2HD LYS 109 9.338 5.578 -1.001 398 1HE LYS 109 1HE LYS 109 9.181 7.513 -2.691 399 2HE LYS 109 2HE LYS 109 7.432 7.253 -2.769 400 1HZ LYS 109 2HZ LYS 109 8.949 7.940 -0.299 401 2HZ LYS 109 3HZ LYS 109 8.004 8.973 -1.175 402 3HZ LYS 109 1HZ LYS 109 7.317 7.701 -0.375 403 H VAL 110 H VAL 110 4.228 5.081 -3.524 404 HA VAL 110 HA VAL 110 3.190 4.190 -6.227 405 HB VAL 110 HB VAL 110 1.722 5.665 -3.981 406 1HG1 VAL 110 2HG1 VAL 110 0.684 6.165 -6.209 407 2HG1 VAL 110 3HG1 VAL 110 0.588 4.429 -6.574 408 3HG1 VAL 110 1HG1 VAL 110 -0.378 5.127 -5.246 409 1HG2 VAL 110 3HG2 VAL 110 2.240 3.315 -3.296 410 2HG2 VAL 110 1HG2 VAL 110 0.506 3.523 -3.581 411 3HG2 VAL 110 2HG2 VAL 110 1.513 2.693 -4.794 412 H LEU 111 H LEU 111 4.112 5.343 -7.734 413 HA LEU 111 HA LEU 111 4.738 8.267 -7.455 414 1HB LEU 111 1HB LEU 111 5.193 6.421 -9.862 415 2HB LEU 111 2HB LEU 111 5.890 8.012 -9.630 416 HG LEU 111 HG LEU 111 6.474 5.521 -7.916 417 1HD1 LEU 111 3HD2 LEU 111 7.386 5.311 -10.220 418 2HD1 LEU 111 1HD2 LEU 111 8.219 6.878 -10.072 419 3HD1 LEU 111 2HD2 LEU 111 8.706 5.500 -9.051 420 1HD2 LEU 111 1HD1 LEU 111 7.831 8.300 -7.777 421 2HD2 LEU 111 2HD1 LEU 111 6.818 7.551 -6.516 422 3HD2 LEU 111 3HD1 LEU 111 8.385 6.837 -6.922 423 H ARG 112 H ARG 112 3.579 9.881 -8.315 424 HA ARG 112 HA ARG 112 1.010 9.201 -9.828 425 1HB ARG 112 1HB ARG 112 1.742 11.694 -8.158 426 2HB ARG 112 2HB ARG 112 0.236 11.485 -9.039 427 1HG ARG 112 1HG ARG 112 -0.301 9.419 -7.678 428 2HG ARG 112 2HG ARG 112 1.184 9.641 -6.768 429 1HD ARG 112 1HD ARG 112 -0.499 10.539 -5.375 430 2HD ARG 112 2HD ARG 112 0.357 11.942 -6.013 431 HE ARG 112 HE ARG 112 -1.974 11.355 -7.721 432 1HH1 ARG 112 1HH2 ARG 112 -2.825 13.560 -4.478 433 2HH1 ARG 112 2HH2 ARG 112 -1.208 12.694 -4.518 434 1HH2 ARG 112 1HH1 ARG 112 -3.786 12.381 -7.566 435 2HH2 ARG 112 2HH1 ARG 112 -4.183 13.393 -6.088 436 H ASP 113 H ASP 113 0.366 10.333 -11.633 437 HA ASP 113 HA ASP 113 2.113 12.535 -12.748 438 1HB ASP 113 1HB ASP 113 2.274 11.759 -14.994 439 2HB ASP 113 2HB ASP 113 3.014 10.601 -13.928 440 H GLY 114 H GLY 114 1.003 14.190 -13.401 441 1HA GLY 114 1HA GLY 114 -0.705 15.500 -14.428 442 2HA GLY 114 2HA GLY 114 -1.570 14.042 -14.861 443 H ALA 115 H ALA 115 -3.428 13.718 -13.800 444 HA ALA 115 HA ALA 115 -4.297 15.495 -11.519 445 1HB ALA 115 2HB ALA 115 -5.880 15.163 -13.381 446 2HB ALA 115 3HB ALA 115 -5.909 13.404 -13.105 447 3HB ALA 115 1HB ALA 115 -6.555 14.514 -11.873 448 H GLY 116 H GLY 116 -4.667 11.936 -11.948 449 1HA GLY 116 1HA GLY 116 -3.002 11.360 -9.534 450 2HA GLY 116 2HA GLY 116 -4.714 11.056 -9.230 451 H LYS 117 H LYS 117 -2.159 10.392 -11.631 452 HA LYS 117 HA LYS 117 -3.410 7.677 -12.319 453 1HB LYS 117 1HB LYS 117 -1.141 9.210 -13.690 454 2HB LYS 117 2HB LYS 117 -1.669 7.613 -14.159 455 1HG LYS 117 1HG LYS 117 -3.452 10.129 -14.235 456 2HG LYS 117 2HG LYS 117 -2.525 9.505 -15.590 457 1HD LYS 117 1HD LYS 117 -3.817 7.355 -15.556 458 2HD LYS 117 2HD LYS 117 -4.761 7.918 -14.171 459 1HE LYS 117 1HE LYS 117 -5.681 9.832 -15.518 460 2HE LYS 117 2HE LYS 117 -4.695 9.358 -16.911 461 1HZ LYS 117 2HZ LYS 117 -6.815 7.672 -15.666 462 2HZ LYS 117 3HZ LYS 117 -6.945 8.499 -17.090 463 3HZ LYS 117 1HZ LYS 117 -5.893 7.232 -16.964 464 H TYR 118 H TYR 118 -2.921 6.528 -10.607 465 HA TYR 118 HA TYR 118 -0.355 6.713 -9.111 466 1HB TYR 118 1HB TYR 118 -2.738 4.782 -8.701 467 2HB TYR 118 2HB TYR 118 -1.448 5.066 -7.575 468 HD1 TYR 118 HD1 TYR 118 -1.204 7.512 -6.572 469 HD2 TYR 118 HD2 TYR 118 -4.768 6.058 -8.500 470 HE1 TYR 118 HE1 TYR 118 -2.530 9.254 -5.472 471 HE2 TYR 118 HE2 TYR 118 -6.070 7.823 -7.413 472 HH TYR 118 HH TYR 118 -4.530 10.160 -5.202 473 H PHE 119 H PHE 119 1.333 5.786 -10.188 474 HA PHE 119 HA PHE 119 1.080 2.926 -11.256 475 1HB PHE 119 1HB PHE 119 2.687 3.269 -12.925 476 2HB PHE 119 2HB PHE 119 1.439 4.453 -13.103 477 HD1 PHE 119 HD1 PHE 119 1.931 6.918 -12.572 478 HD2 PHE 119 HD2 PHE 119 5.032 3.943 -12.531 479 HE1 PHE 119 HE1 PHE 119 3.638 8.683 -12.741 480 HE2 PHE 119 HE2 PHE 119 6.727 5.719 -12.740 481 HZ PHE 119 HZ PHE 119 6.034 8.090 -12.839 482 H LEU 120 H LEU 120 2.096 1.500 -10.177 483 HA LEU 120 HA LEU 120 4.487 2.177 -8.412 484 1HB LEU 120 1HB LEU 120 3.578 1.344 -6.450 485 2HB LEU 120 2HB LEU 120 2.400 2.405 -7.139 486 HG LEU 120 HG LEU 120 1.134 0.796 -6.170 487 1HD1 LEU 120 2HD1 LEU 120 0.292 1.177 -8.507 488 2HD1 LEU 120 3HD1 LEU 120 1.129 -0.297 -9.043 489 3HD1 LEU 120 1HD1 LEU 120 -0.173 -0.401 -7.843 490 1HD2 LEU 120 3HD2 LEU 120 2.882 -0.868 -5.635 491 2HD2 LEU 120 1HD2 LEU 120 1.378 -1.621 -6.200 492 3HD2 LEU 120 2HD2 LEU 120 2.785 -1.533 -7.283 493 H TRP 121 H TRP 121 2.879 -0.355 -10.241 494 HA TRP 121 HA TRP 121 5.317 -2.192 -9.870 495 1HB TRP 121 1HB TRP 121 3.386 -3.199 -8.777 496 2HB TRP 121 2HB TRP 121 2.353 -2.927 -10.156 497 HD1 TRP 121 HD1 TRP 121 5.653 -5.020 -9.387 498 HE1 TRP 121 HE1 TRP 121 5.487 -7.402 -10.505 499 HE3 TRP 121 HE3 TRP 121 1.248 -4.201 -11.844 500 HZ2 TRP 121 HZ2 TRP 121 3.546 -8.633 -12.207 501 HZ3 TRP 121 HZ3 TRP 121 0.304 -6.010 -13.227 502 HH2 TRP 121 HH2 TRP 121 1.420 -8.199 -13.393 503 H VAL 122 H VAL 122 2.632 -2.102 -12.256 504 HA VAL 122 HA VAL 122 4.637 -1.489 -14.480 505 HB VAL 122 HB VAL 122 2.653 -3.745 -14.604 506 1HG1 VAL 122 3HG2 VAL 122 2.778 -2.643 -16.846 507 2HG1 VAL 122 1HG2 VAL 122 4.553 -2.755 -16.827 508 3HG1 VAL 122 2HG2 VAL 122 3.555 -4.230 -16.904 509 1HG2 VAL 122 2HG1 VAL 122 4.726 -4.431 -13.367 510 2HG2 VAL 122 3HG1 VAL 122 4.632 -5.254 -14.927 511 3HG2 VAL 122 1HG1 VAL 122 5.737 -3.869 -14.715 512 H VAL 123 H VAL 123 1.103 -2.113 -14.323 513 HA VAL 123 HA VAL 123 0.655 0.194 -16.135 514 HB VAL 123 HB VAL 123 -0.455 -2.010 -16.419 515 1HG1 VAL 123 3HG1 VAL 123 -1.120 -2.562 -14.043 516 2HG1 VAL 123 1HG1 VAL 123 -2.344 -1.271 -14.101 517 3HG1 VAL 123 2HG1 VAL 123 -2.478 -2.681 -15.178 518 1HG2 VAL 123 3HG2 VAL 123 -1.327 0.015 -17.577 519 2HG2 VAL 123 1HG2 VAL 123 -2.602 -1.171 -17.238 520 3HG2 VAL 123 2HG2 VAL 123 -2.472 0.299 -16.245 521 H LYS 124 H LYS 124 -0.514 2.028 -15.794 522 HA LYS 124 HA LYS 124 -0.622 3.108 -13.008 523 1HB LYS 124 1HB LYS 124 -0.887 5.233 -13.844 524 2HB LYS 124 2HB LYS 124 0.226 4.490 -14.952 525 1HG LYS 124 1HG LYS 124 -2.756 5.110 -15.451 526 2HG LYS 124 2HG LYS 124 -1.379 6.020 -16.043 527 1HD LYS 124 1HD LYS 124 -0.661 4.008 -17.447 528 2HD LYS 124 2HD LYS 124 -2.069 3.136 -16.859 529 1HE LYS 124 1HE LYS 124 -2.667 3.947 -19.031 530 2HE LYS 124 2HE LYS 124 -3.608 4.889 -17.877 531 1HZ LYS 124 1HZ LYS 124 -1.101 5.806 -19.218 532 2HZ LYS 124 2HZ LYS 124 -2.636 6.281 -19.603 533 3HZ LYS 124 3HZ LYS 124 -1.981 6.705 -18.147 534 H PHE 125 H PHE 125 -2.421 4.020 -12.036 535 HA PHE 125 HA PHE 125 -5.141 2.760 -12.755 536 1HB PHE 125 1HB PHE 125 -3.958 2.945 -9.914 537 2HB PHE 125 2HB PHE 125 -5.543 2.348 -10.328 538 HD1 PHE 125 HD2 PHE 125 -5.707 0.209 -11.867 539 HD2 PHE 125 HD1 PHE 125 -2.064 1.419 -9.920 540 HE1 PHE 125 HE2 PHE 125 -4.763 -2.042 -12.195 541 HE2 PHE 125 HE1 PHE 125 -1.140 -0.827 -10.267 542 HZ PHE 125 HZ PHE 125 -2.462 -2.542 -11.430 543 H ASN 126 H ASN 126 -6.606 4.306 -13.000 544 HA ASN 126 HA ASN 126 -6.173 7.109 -12.307 545 1HB ASN 126 1HB ASN 126 -7.588 6.285 -14.222 546 2HB ASN 126 2HB ASN 126 -8.820 5.752 -13.097 547 1HD2 ASN 126 1HD2 ASN 126 -10.257 9.054 -13.118 548 2HD2 ASN 126 2HD2 ASN 126 -10.421 7.254 -12.803 549 H SER 127 H SER 127 -8.352 4.713 -10.701 550 HA SER 127 HA SER 127 -8.719 6.631 -8.357 551 1HB SER 127 1HB SER 127 -10.752 5.520 -9.315 552 2HB SER 127 2HB SER 127 -10.091 3.929 -8.929 553 HG SER 127 HG SER 127 -10.018 4.598 -6.737 554 H LEU 128 H LEU 128 -8.084 6.107 -6.322 555 HA LEU 128 HA LEU 128 -5.815 4.242 -5.885 556 1HB LEU 128 1HB LEU 128 -6.227 6.504 -4.651 557 2HB LEU 128 2HB LEU 128 -7.457 5.673 -3.726 558 HG LEU 128 HG LEU 128 -5.589 3.998 -2.981 559 1HD1 LEU 128 3HD1 LEU 128 -3.761 6.135 -4.275 560 2HD1 LEU 128 1HD1 LEU 128 -3.200 4.862 -3.166 561 3HD1 LEU 128 2HD1 LEU 128 -3.874 4.424 -4.741 562 1HD2 LEU 128 3HD2 LEU 128 -6.462 5.786 -1.497 563 2HD2 LEU 128 1HD2 LEU 128 -4.727 5.545 -1.234 564 3HD2 LEU 128 2HD2 LEU 128 -5.297 6.955 -2.159 565 H ASN 129 H ASN 129 -9.304 4.056 -5.227 566 HA ASN 129 HA ASN 129 -9.309 1.489 -3.792 567 1HB ASN 129 1HB ASN 129 -11.577 2.588 -5.551 568 2HB ASN 129 2HB ASN 129 -11.681 1.264 -4.413 569 1HD2 ASN 129 1HD2 ASN 129 -11.755 5.086 -2.876 570 2HD2 ASN 129 2HD2 ASN 129 -11.157 4.782 -4.584 571 H GLU 130 H GLU 130 -9.480 2.263 -7.333 572 HA GLU 130 HA GLU 130 -9.605 -0.438 -8.370 573 1HB GLU 130 1HB GLU 130 -10.081 1.715 -9.602 574 2HB GLU 130 2HB GLU 130 -8.374 2.144 -9.531 575 1HG GLU 130 1HG GLU 130 -7.875 0.036 -10.901 576 2HG GLU 130 2HG GLU 130 -9.620 -0.230 -11.025 577 H LEU 131 H LEU 131 -6.704 1.572 -7.581 578 HA LEU 131 HA LEU 131 -4.641 -0.360 -8.250 579 1HB LEU 131 1HB LEU 131 -4.310 2.048 -7.720 580 2HB LEU 131 2HB LEU 131 -4.657 1.793 -6.032 581 HG LEU 131 HG LEU 131 -2.327 0.337 -7.414 582 1HD1 LEU 131 3HD1 LEU 131 -2.279 3.176 -6.197 583 2HD1 LEU 131 1HD1 LEU 131 -0.833 2.248 -6.651 584 3HD1 LEU 131 2HD1 LEU 131 -1.994 2.721 -7.896 585 1HD2 LEU 131 2HD2 LEU 131 -2.753 1.131 -4.449 586 2HD2 LEU 131 3HD2 LEU 131 -2.758 -0.524 -5.105 587 3HD2 LEU 131 1HD2 LEU 131 -1.266 0.410 -5.112 588 H VAL 132 H VAL 132 -6.372 0.045 -5.145 589 HA VAL 132 HA VAL 132 -5.154 -2.179 -3.718 590 HB VAL 132 HB VAL 132 -7.828 -0.721 -3.340 591 1HG1 VAL 132 3HG1 VAL 132 -6.749 -2.956 -1.514 592 2HG1 VAL 132 1HG1 VAL 132 -8.044 -1.803 -1.084 593 3HG1 VAL 132 2HG1 VAL 132 -8.286 -2.945 -2.399 594 1HG2 VAL 132 2HG2 VAL 132 -5.192 -0.687 -1.736 595 2HG2 VAL 132 3HG2 VAL 132 -5.787 0.607 -2.799 596 3HG2 VAL 132 1HG2 VAL 132 -6.670 0.217 -1.314 597 H ASP 133 H ASP 133 -8.383 -2.177 -5.347 598 HA ASP 133 HA ASP 133 -8.778 -4.973 -4.910 599 1HB ASP 133 1HB ASP 133 -10.722 -4.891 -6.400 600 2HB ASP 133 2HB ASP 133 -10.671 -3.564 -5.265 601 H TYR 134 H TYR 134 -7.036 -3.531 -7.619 602 HA TYR 134 HA TYR 134 -6.853 -5.977 -9.283 603 1HB TYR 134 1HB TYR 134 -6.442 -3.732 -10.247 604 2HB TYR 134 2HB TYR 134 -5.083 -3.459 -9.189 605 HD1 TYR 134 HD2 TYR 134 -6.265 -5.417 -12.153 606 HD2 TYR 134 HD1 TYR 134 -2.892 -4.564 -9.623 607 HE1 TYR 134 HE2 TYR 134 -4.770 -6.529 -13.752 608 HE2 TYR 134 HE1 TYR 134 -1.410 -5.669 -11.222 609 HH TYR 134 HH TYR 134 -1.264 -6.757 -13.169 610 H HIS 135 H HIS 135 -4.434 -4.462 -7.038 611 HA HIS 135 HA HIS 135 -2.817 -6.931 -6.964 612 1HB HIS 135 1HB HIS 135 -2.592 -4.382 -5.256 613 2HB HIS 135 2HB HIS 135 -1.519 -5.754 -5.085 614 HD2 HIS 135 HD2 HIS 135 -1.302 -2.548 -6.664 615 HE1 HIS 135 HE1 HIS 135 0.765 -4.969 -9.333 616 HE2 HIS 135 HE2 HIS 135 0.369 -2.498 -8.724 617 H ARG 136 H ARG 136 -5.649 -6.373 -5.315 618 HA ARG 136 HA ARG 136 -5.262 -8.037 -2.926 619 1HB ARG 136 1HB ARG 136 -7.148 -6.434 -3.475 620 2HB ARG 136 2HB ARG 136 -7.779 -7.567 -4.654 621 1HG ARG 136 1HG ARG 136 -8.460 -9.127 -2.970 622 2HG ARG 136 2HG ARG 136 -7.410 -8.457 -1.738 623 1HD ARG 136 1HD ARG 136 -9.795 -6.897 -2.950 624 2HD ARG 136 2HD ARG 136 -9.909 -7.914 -1.514 625 HE ARG 136 HE ARG 136 -7.851 -5.645 -1.545 626 1HH1 ARG 136 2HH2 ARG 136 -10.904 -6.874 -0.194 627 2HH1 ARG 136 1HH2 ARG 136 -10.820 -5.629 1.151 628 1HH2 ARG 136 1HH1 ARG 136 -7.852 -4.296 0.044 629 2HH2 ARG 136 2HH1 ARG 136 -9.212 -4.273 1.275 630 H SER 137 H SER 137 -5.567 -8.871 -6.314 631 HA SER 137 HA SER 137 -5.403 -11.825 -5.686 632 1HB SER 137 1HB SER 137 -6.622 -10.578 -8.227 633 2HB SER 137 2HB SER 137 -6.315 -12.301 -7.986 634 HG SER 137 HG SER 137 -7.959 -10.666 -6.355 635 H THR 138 H THR 138 -4.012 -9.134 -7.577 636 HA THR 138 HA THR 138 -1.863 -10.954 -8.723 637 HB THR 138 HB THR 138 -2.438 -7.940 -9.197 638 HG1 THR 138 HG1 THR 138 -4.021 -9.372 -9.947 639 1HG2 THR 138 3HG2 THR 138 -0.518 -9.799 -10.748 640 2HG2 THR 138 1HG2 THR 138 -1.071 -8.209 -11.319 641 3HG2 THR 138 2HG2 THR 138 -0.087 -8.315 -9.856 642 H SER 139 H SER 139 0.355 -10.505 -8.494 643 HA SER 139 HA SER 139 1.251 -9.864 -5.760 644 1HB SER 139 1HB SER 139 2.399 -11.568 -7.143 645 2HB SER 139 2HB SER 139 2.895 -10.345 -8.325 646 HG SER 139 HG SER 139 4.504 -10.770 -6.812 647 H VAL 140 H VAL 140 1.970 -8.025 -4.938 648 HA VAL 140 HA VAL 140 2.061 -5.450 -6.418 649 HB VAL 140 HB VAL 140 3.209 -5.883 -3.605 650 1HG1 VAL 140 1HG2 VAL 140 2.243 -3.357 -5.084 651 2HG1 VAL 140 2HG2 VAL 140 2.678 -3.395 -3.367 652 3HG1 VAL 140 3HG2 VAL 140 3.916 -3.714 -4.595 653 1HG2 VAL 140 3HG1 VAL 140 0.739 -6.541 -3.609 654 2HG2 VAL 140 1HG1 VAL 140 1.105 -5.112 -2.635 655 3HG2 VAL 140 2HG1 VAL 140 0.350 -4.919 -4.235 656 H SER 141 H SER 141 4.626 -7.615 -5.096 657 HA SER 141 HA SER 141 6.643 -6.266 -6.982 658 1HB SER 141 1HB SER 141 7.240 -5.993 -4.552 659 2HB SER 141 2HB SER 141 7.292 -7.749 -4.358 660 HG SER 141 HG SER 141 8.871 -7.778 -6.026 661 H ARG 142 H ARG 142 7.671 -9.285 -5.807 662 HA ARG 142 HA ARG 142 6.059 -11.027 -7.478 663 1HB ARG 142 1HB ARG 142 7.775 -9.801 -9.204 664 2HB ARG 142 2HB ARG 142 8.908 -10.980 -8.608 665 1HG ARG 142 1HG ARG 142 7.950 -11.893 -10.596 666 2HG ARG 142 2HG ARG 142 7.237 -12.828 -9.287 667 1HD ARG 142 1HD ARG 142 5.132 -11.352 -9.436 668 2HD ARG 142 2HD ARG 142 5.879 -10.459 -10.767 669 HE ARG 142 HE ARG 142 5.935 -13.238 -11.547 670 1HH1 ARG 142 2HH2 ARG 142 3.442 -10.807 -10.819 671 2HH1 ARG 142 1HH2 ARG 142 2.265 -11.658 -11.940 672 1HH2 ARG 142 1HH1 ARG 142 4.513 -14.123 -12.795 673 2HH2 ARG 142 2HH1 ARG 142 2.833 -13.410 -12.982 674 H ASN 143 H ASN 143 9.159 -10.767 -5.737 675 HA ASN 143 HA ASN 143 9.681 -13.584 -5.470 676 1HB ASN 143 1HB ASN 143 11.324 -11.700 -5.081 677 2HB ASN 143 2HB ASN 143 10.546 -11.337 -3.558 678 1HD2 ASN 143 1HD2 ASN 143 13.137 -14.533 -3.761 679 2HD2 ASN 143 2HD2 ASN 143 12.548 -13.675 -5.272 680 H GLN 144 H GLN 144 8.125 -11.510 -2.921 681 HA GLN 144 HA GLN 144 7.223 -13.993 -1.471 682 1HB GLN 144 1HB GLN 144 6.774 -11.023 -0.789 683 2HB GLN 144 2HB GLN 144 6.119 -12.340 0.165 684 1HG GLN 144 1HG GLN 144 8.447 -13.219 0.628 685 2HG GLN 144 2HG GLN 144 9.126 -11.876 -0.276 686 1HE2 GLN 144 2HE2 GLN 144 7.721 -11.153 3.531 687 2HE2 GLN 144 1HE2 GLN 144 7.378 -12.736 2.668 688 H GLN 145 H GLN 145 5.923 -12.303 -3.888 689 HA GLN 145 HA GLN 145 3.761 -12.003 -4.868 690 1HB GLN 145 1HB GLN 145 3.230 -14.758 -3.666 691 2HB GLN 145 2HB GLN 145 2.197 -13.936 -4.825 692 1HG GLN 145 1HG GLN 145 4.108 -13.827 -6.488 693 2HG GLN 145 2HG GLN 145 5.131 -14.710 -5.366 694 1HE2 GLN 145 2HE2 GLN 145 3.681 -17.879 -6.301 695 2HE2 GLN 145 1HE2 GLN 145 4.887 -16.956 -5.271 696 H ILE 146 H ILE 146 3.348 -10.164 -3.656 697 HA ILE 146 HA ILE 146 2.002 -10.366 -1.035 698 HB ILE 146 HB ILE 146 2.728 -7.838 -2.571 699 1HG1 ILE 146 1HG1 ILE 146 4.446 -7.695 -0.530 700 2HG1 ILE 146 2HG1 ILE 146 4.209 -9.421 -0.373 701 1HG2 ILE 146 3HG2 ILE 146 1.741 -8.174 0.331 702 2HG2 ILE 146 1HG2 ILE 146 2.414 -6.670 -0.340 703 3HG2 ILE 146 2HG2 ILE 146 0.902 -7.327 -0.975 704 1HD1 ILE 146 3HD1 ILE 146 5.206 -7.978 -2.927 705 2HD1 ILE 146 1HD1 ILE 146 6.251 -8.735 -1.699 706 3HD1 ILE 146 2HD1 ILE 146 5.180 -9.746 -2.683 707 H PHE 147 H PHE 147 -0.061 -10.418 -0.663 708 HA PHE 147 HA PHE 147 -2.128 -9.521 -2.753 709 1HB PHE 147 1HB PHE 147 -2.380 -12.029 -1.004 710 2HB PHE 147 2HB PHE 147 -3.547 -11.450 -2.165 711 HD1 PHE 147 HD1 PHE 147 -2.173 -10.907 -4.671 712 HD2 PHE 147 HD2 PHE 147 -1.287 -13.988 -1.794 713 HE1 PHE 147 HE1 PHE 147 -1.044 -12.231 -6.413 714 HE2 PHE 147 HE2 PHE 147 -0.209 -15.307 -3.580 715 HZ PHE 147 HZ PHE 147 -0.079 -14.431 -5.870 716 H LEU 148 H LEU 148 -3.249 -7.957 -1.980 717 HA LEU 148 HA LEU 148 -2.972 -6.935 0.701 718 1HB LEU 148 1HB LEU 148 -4.635 -6.106 -1.741 719 2HB LEU 148 2HB LEU 148 -4.950 -5.332 -0.223 720 HG LEU 148 HG LEU 148 -2.652 -4.513 0.008 721 1HD1 LEU 148 1HD2 LEU 148 -2.051 -5.783 -2.739 722 2HD1 LEU 148 2HD2 LEU 148 -1.025 -4.588 -1.900 723 3HD1 LEU 148 3HD2 LEU 148 -1.276 -6.187 -1.187 724 1HD2 LEU 148 2HD1 LEU 148 -4.383 -3.129 -1.181 725 2HD2 LEU 148 3HD1 LEU 148 -2.762 -2.807 -1.816 726 3HD2 LEU 148 1HD1 LEU 148 -3.888 -3.833 -2.739 727 H ARG 149 H ARG 149 -4.142 -6.876 2.449 728 HA ARG 149 HA ARG 149 -6.986 -7.993 2.596 729 1HB ARG 149 1HB ARG 149 -4.901 -8.528 4.802 730 2HB ARG 149 2HB ARG 149 -6.512 -9.200 4.671 731 1HG ARG 149 1HG ARG 149 -4.117 -9.837 2.866 732 2HG ARG 149 2HG ARG 149 -4.622 -10.796 4.240 733 1HD ARG 149 1HD ARG 149 -6.652 -11.572 3.110 734 2HD ARG 149 2HD ARG 149 -6.508 -10.350 1.855 735 HE ARG 149 HE ARG 149 -4.930 -11.669 0.661 736 1HH1 ARG 149 2HH2 ARG 149 -5.213 -13.039 3.931 737 2HH1 ARG 149 1HH2 ARG 149 -4.173 -14.466 3.434 738 1HH2 ARG 149 1HH1 ARG 149 -3.760 -13.330 0.210 739 2HH2 ARG 149 2HH1 ARG 149 -3.406 -14.617 1.468 740 H ASP 150 H ASP 150 -8.270 -6.926 4.147 741 HA ASP 150 HA ASP 150 -7.438 -4.178 4.863 742 1HB ASP 150 1HB ASP 150 -9.982 -5.760 5.645 743 2HB ASP 150 2HB ASP 150 -9.708 -4.099 6.123 744 H ILE 151 H ILE 151 -7.157 -3.220 6.791 745 HA ILE 151 HA ILE 151 -5.641 -4.714 8.804 746 HB ILE 151 HB ILE 151 -5.516 -2.523 10.082 747 1HG1 ILE 151 1HG1 ILE 151 -6.912 -1.221 7.667 748 2HG1 ILE 151 2HG1 ILE 151 -7.699 -1.514 9.207 749 1HG2 ILE 151 2HG2 ILE 151 -3.735 -3.241 8.552 750 2HG2 ILE 151 3HG2 ILE 151 -4.574 -2.518 7.165 751 3HG2 ILE 151 1HG2 ILE 151 -3.915 -1.485 8.459 752 1HD1 ILE 151 3HD1 ILE 151 -5.996 -0.028 10.378 753 2HD1 ILE 151 1HD1 ILE 151 -5.285 0.359 8.786 754 3HD1 ILE 151 2HD1 ILE 151 -6.964 0.812 9.143 755 H GLU 152 H GLU 152 -5.952 -4.910 11.021 756 HA GLU 152 HA GLU 152 -8.805 -5.726 11.687 757 1HB GLU 152 1HB GLU 152 -6.875 -7.367 11.860 758 2HB GLU 152 2HB GLU 152 -6.213 -6.421 13.189 759 1HG GLU 152 1HG GLU 152 -8.296 -6.847 14.547 760 2HG GLU 152 2HG GLU 152 -9.021 -7.710 13.193 761 HXT GLU 152 HO OH 153 -9.851 -4.250 12.487 No H/Q in entry = 761 Start of MODEL 8 1 1H GLY 58 1H GLY 58 -11.918 -1.763 3.698 2 2H GLY 58 2H GLY 58 -11.783 -1.160 2.185 3 1HA GLY 58 1HA GLY 58 -13.545 0.462 2.599 4 2HA GLY 58 2HA GLY 58 -13.709 -0.183 4.229 5 H SER 59 H SER 59 -11.987 0.151 5.714 6 HA SER 59 HA SER 59 -10.764 2.826 5.435 7 1HB SER 59 1HB SER 59 -10.112 2.599 7.798 8 2HB SER 59 2HB SER 59 -11.800 2.170 7.550 9 HG SER 59 HG SER 59 -10.707 0.712 8.887 10 H TRP 60 H TRP 60 -8.837 3.294 4.646 11 HA TRP 60 HA TRP 60 -6.431 1.587 5.202 12 1HB TRP 60 1HB TRP 60 -5.721 1.555 2.783 13 2HB TRP 60 2HB TRP 60 -6.928 0.436 3.326 14 HD1 TRP 60 HD1 TRP 60 -7.164 4.008 1.674 15 HE1 TRP 60 HE1 TRP 60 -8.863 3.985 -0.373 16 HE3 TRP 60 HE3 TRP 60 -8.589 -0.832 2.212 17 HZ2 TRP 60 HZ2 TRP 60 -10.543 1.913 -1.488 18 HZ3 TRP 60 HZ3 TRP 60 -10.297 -1.767 0.693 19 HH2 TRP 60 HH2 TRP 60 -11.263 -0.410 -1.118 20 H PHE 61 H PHE 61 -7.482 4.733 3.844 21 HA PHE 61 HA PHE 61 -4.667 5.705 3.855 22 1HB PHE 61 1HB PHE 61 -6.281 6.447 2.119 23 2HB PHE 61 2HB PHE 61 -7.280 7.234 3.318 24 HD1 PHE 61 HD1 PHE 61 -3.706 7.217 2.023 25 HD2 PHE 61 HD2 PHE 61 -6.838 9.575 3.791 26 HE1 PHE 61 HE1 PHE 61 -2.263 9.195 1.950 27 HE2 PHE 61 HE2 PHE 61 -5.401 11.567 3.645 28 HZ PHE 61 HZ PHE 61 -3.112 11.384 2.729 29 H PHE 62 H PHE 62 -3.656 6.846 5.330 30 HA PHE 62 HA PHE 62 -5.058 7.721 7.926 31 1HB PHE 62 1HB PHE 62 -2.191 6.815 7.469 32 2HB PHE 62 2HB PHE 62 -2.633 7.836 8.805 33 HD1 PHE 62 HD1 PHE 62 -4.035 4.618 7.264 34 HD2 PHE 62 HD2 PHE 62 -2.940 6.730 10.851 35 HE1 PHE 62 HE1 PHE 62 -4.648 2.664 8.609 36 HE2 PHE 62 HE2 PHE 62 -3.546 4.755 12.180 37 HZ PHE 62 HZ PHE 62 -4.407 2.722 11.069 38 H GLY 63 H GLY 63 -1.979 9.035 6.723 39 1HA GLY 63 1HA GLY 63 -2.657 11.303 5.236 40 2HA GLY 63 2HA GLY 63 -3.179 11.822 6.832 41 H LYS 64 H LYS 64 -0.397 10.679 5.004 42 HA LYS 64 HA LYS 64 1.865 10.624 5.430 43 1HB LYS 64 1HB LYS 64 3.047 12.699 5.466 44 2HB LYS 64 2HB LYS 64 1.730 12.685 4.322 45 1HG LYS 64 1HG LYS 64 0.340 14.133 5.833 46 2HG LYS 64 2HG LYS 64 1.628 14.134 7.040 47 1HD LYS 64 1HD LYS 64 3.202 15.196 5.363 48 2HD LYS 64 2HD LYS 64 1.917 15.193 4.150 49 1HE LYS 64 1HE LYS 64 0.514 16.711 5.628 50 2HE LYS 64 2HE LYS 64 1.795 16.708 6.850 51 1HZ LYS 64 3HZ LYS 64 2.098 17.717 4.061 52 2HZ LYS 64 1HZ LYS 64 1.938 18.648 5.416 53 3HZ LYS 64 2HZ LYS 64 3.288 17.719 5.208 54 H ILE 65 H ILE 65 1.289 9.212 7.275 55 HA ILE 65 HA ILE 65 2.380 10.176 9.928 56 HB ILE 65 HB ILE 65 1.891 7.990 10.849 57 1HG1 ILE 65 1HG1 ILE 65 0.586 7.088 8.229 58 2HG1 ILE 65 2HG1 ILE 65 2.211 6.616 8.705 59 1HG2 ILE 65 2HG2 ILE 65 0.173 9.794 10.914 60 2HG2 ILE 65 3HG2 ILE 65 -0.577 9.150 9.434 61 3HG2 ILE 65 1HG2 ILE 65 -0.560 8.182 10.927 62 1HD1 ILE 65 3HD1 ILE 65 1.342 5.579 10.836 63 2HD1 ILE 65 1HD1 ILE 65 -0.325 5.950 10.320 64 3HD1 ILE 65 2HD1 ILE 65 0.676 4.829 9.372 65 HA PRO 66 HA PRO 66 6.584 8.750 8.975 66 1HB PRO 66 1HB PRO 66 7.654 8.131 11.468 67 2HB PRO 66 2HB PRO 66 7.265 9.772 10.934 68 1HG PRO 66 1HG PRO 66 5.566 7.930 12.682 69 2HG PRO 66 2HG PRO 66 5.979 9.636 12.974 70 1HD PRO 66 1HD PRO 66 3.572 8.881 11.851 71 2HD PRO 66 2HD PRO 66 4.360 10.406 11.360 72 H ARG 67 H ARG 67 8.107 6.927 9.104 73 HA ARG 67 HA ARG 67 6.849 4.400 8.370 74 1HB ARG 67 1HB ARG 67 9.085 5.344 7.550 75 2HB ARG 67 2HB ARG 67 9.837 4.796 9.030 76 1HG ARG 67 1HG ARG 67 9.324 2.437 8.521 77 2HG ARG 67 2HG ARG 67 8.242 2.895 7.215 78 1HD ARG 67 1HD ARG 67 10.187 3.827 5.897 79 2HD ARG 67 2HD ARG 67 11.298 3.315 7.185 80 HE ARG 67 HE ARG 67 9.852 0.939 6.550 81 1HH1 ARG 67 2HH2 ARG 67 11.871 3.175 4.663 82 2HH1 ARG 67 1HH2 ARG 67 12.338 1.813 3.526 83 1HH2 ARG 67 1HH1 ARG 67 10.448 -0.531 5.198 84 2HH2 ARG 67 2HH1 ARG 67 11.584 -0.144 3.811 85 H ALA 68 H ALA 68 8.392 5.345 11.369 86 HA ALA 68 HA ALA 68 8.301 2.682 12.707 87 1HB ALA 68 2HB ALA 68 9.913 4.416 13.484 88 2HB ALA 68 3HB ALA 68 8.575 5.476 13.997 89 3HB ALA 68 1HB ALA 68 8.845 3.914 14.808 90 H LYS 69 H LYS 69 6.049 5.505 12.794 91 HA LYS 69 HA LYS 69 4.078 4.140 14.538 92 1HB LYS 69 1HB LYS 69 4.191 6.619 14.371 93 2HB LYS 69 2HB LYS 69 3.740 6.555 12.677 94 1HG LYS 69 1HG LYS 69 1.842 7.259 14.004 95 2HG LYS 69 2HG LYS 69 1.477 5.723 13.242 96 1HD LYS 69 1HD LYS 69 1.990 4.533 15.450 97 2HD LYS 69 2HD LYS 69 2.295 6.106 16.198 98 1HE LYS 69 1HE LYS 69 -0.099 6.805 15.664 99 2HE LYS 69 2HE LYS 69 -0.385 5.234 14.898 100 1HZ LYS 69 3HZ LYS 69 0.073 4.167 17.044 101 2HZ LYS 69 1HZ LYS 69 0.340 5.631 17.761 102 3HZ LYS 69 2HZ LYS 69 -1.161 5.256 17.182 103 H ALA 70 H ALA 70 4.567 4.169 11.030 104 HA ALA 70 HA ALA 70 2.021 2.793 10.333 105 1HB ALA 70 2HB ALA 70 3.247 4.095 8.607 106 2HB ALA 70 3HB ALA 70 4.632 2.980 8.697 107 3HB ALA 70 1HB ALA 70 3.057 2.407 8.096 108 H GLU 71 H GLU 71 5.353 1.622 10.864 109 HA GLU 71 HA GLU 71 4.714 -1.266 10.715 110 1HB GLU 71 1HB GLU 71 7.079 0.271 11.986 111 2HB GLU 71 2HB GLU 71 7.001 -1.481 11.925 112 1HG GLU 71 1HG GLU 71 6.980 -1.488 9.441 113 2HG GLU 71 2HG GLU 71 6.943 0.267 9.379 114 H GLU 72 H GLU 72 4.684 1.017 13.479 115 HA GLU 72 HA GLU 72 4.257 -0.916 15.601 116 1HB GLU 72 1HB GLU 72 4.840 1.503 15.921 117 2HB GLU 72 2HB GLU 72 3.231 1.976 15.390 118 1HG GLU 72 1HG GLU 72 2.251 0.719 17.399 119 2HG GLU 72 2HG GLU 72 3.885 0.289 17.900 120 H MET 73 H MET 73 1.723 0.860 13.652 121 HA MET 73 HA MET 73 -0.565 -0.536 14.648 122 1HB MET 73 1HB MET 73 -0.351 1.662 13.311 123 2HB MET 73 2HB MET 73 -0.030 0.723 11.870 124 1HG MET 73 1HG MET 73 -2.357 1.489 11.979 125 2HG MET 73 2HG MET 73 -2.292 -0.284 11.985 126 1HE MET 73 3HE MET 73 -2.787 3.000 14.116 127 2HE MET 73 2HE MET 73 -3.316 2.382 15.713 128 3HE MET 73 1HE MET 73 -1.608 2.222 15.218 129 H LEU 74 H LEU 74 1.411 -1.320 11.739 130 HA LEU 74 HA LEU 74 -0.411 -3.565 11.018 131 1HB LEU 74 1HB LEU 74 2.128 -2.618 9.601 132 2HB LEU 74 2HB LEU 74 0.934 -3.746 8.969 133 HG LEU 74 HG LEU 74 0.412 -0.774 9.516 134 1HD1 LEU 74 3HD1 LEU 74 0.921 -2.326 6.901 135 2HD1 LEU 74 1HD1 LEU 74 0.354 -0.649 6.985 136 3HD1 LEU 74 2HD1 LEU 74 1.950 -1.070 7.630 137 1HD2 LEU 74 2HD2 LEU 74 -1.474 -2.913 8.341 138 2HD2 LEU 74 3HD2 LEU 74 -1.723 -1.908 9.786 139 3HD2 LEU 74 1HD2 LEU 74 -1.737 -1.159 8.184 140 H SER 75 H SER 75 3.076 -3.531 11.962 141 HA SER 75 HA SER 75 3.408 -6.453 11.750 142 1HB SER 75 1HB SER 75 5.004 -4.515 13.527 143 2HB SER 75 2HB SER 75 5.428 -6.192 13.183 144 HG SER 75 HG SER 75 5.098 -4.140 11.258 145 H LYS 76 H LYS 76 2.069 -4.453 14.322 146 HA LYS 76 HA LYS 76 1.935 -6.439 16.481 147 1HB LYS 76 1HB LYS 76 1.783 -3.978 16.785 148 2HB LYS 76 2HB LYS 76 0.291 -3.919 15.850 149 1HG LYS 76 1HG LYS 76 -0.883 -5.243 17.648 150 2HG LYS 76 2HG LYS 76 0.628 -5.381 18.538 151 1HD LYS 76 1HD LYS 76 -0.724 -3.613 19.544 152 2HD LYS 76 2HD LYS 76 0.735 -2.922 18.870 153 1HE LYS 76 1HE LYS 76 -1.112 -1.404 18.426 154 2HE LYS 76 2HE LYS 76 -0.563 -2.035 16.881 155 1HZ LYS 76 2HZ LYS 76 -2.956 -2.999 18.383 156 2HZ LYS 76 3HZ LYS 76 -2.973 -2.038 17.040 157 3HZ LYS 76 1HZ LYS 76 -2.452 -3.602 16.930 158 H GLN 77 H GLN 77 -0.349 -5.689 13.801 159 HA GLN 77 HA GLN 77 -2.410 -7.586 14.829 160 1HB GLN 77 1HB GLN 77 -3.743 -7.118 12.872 161 2HB GLN 77 2HB GLN 77 -3.296 -5.679 13.766 162 1HG GLN 77 1HG GLN 77 -1.510 -5.177 12.047 163 2HG GLN 77 2HG GLN 77 -1.997 -6.586 11.115 164 1HE2 GLN 77 1HE2 GLN 77 -3.946 -3.160 10.469 165 2HE2 GLN 77 2HE2 GLN 77 -2.586 -3.305 11.678 166 H ARG 78 H ARG 78 -2.669 -9.456 14.351 167 HA ARG 78 HA ARG 78 -0.798 -11.336 13.237 168 1HB ARG 78 1HB ARG 78 -2.597 -13.041 13.492 169 2HB ARG 78 2HB ARG 78 -2.421 -12.037 14.900 170 1HG ARG 78 1HG ARG 78 -4.478 -10.915 14.602 171 2HG ARG 78 2HG ARG 78 -4.567 -11.191 12.881 172 1HD ARG 78 1HD ARG 78 -4.987 -13.396 14.998 173 2HD ARG 78 2HD ARG 78 -6.264 -12.435 14.236 174 HE ARG 78 HE ARG 78 -4.580 -13.733 12.171 175 1HH1 ARG 78 2HH2 ARG 78 -7.260 -14.394 14.412 176 2HH1 ARG 78 1HH2 ARG 78 -7.867 -15.731 13.312 177 1HH2 ARG 78 1HH1 ARG 78 -5.359 -15.271 10.997 178 2HH2 ARG 78 2HH1 ARG 78 -6.861 -16.192 11.509 179 H HIS 79 H HIS 79 -3.041 -9.586 11.269 180 HA HIS 79 HA HIS 79 -3.480 -11.756 9.314 181 1HB HIS 79 1HB HIS 79 -4.240 -8.779 9.124 182 2HB HIS 79 2HB HIS 79 -4.776 -10.027 8.021 183 HD2 HIS 79 HD2 HIS 79 -6.022 -12.299 9.449 184 HE1 HIS 79 HE1 HIS 79 -7.654 -9.860 12.378 185 HE2 HIS 79 HE2 HIS 79 -7.848 -12.208 11.374 186 H ASP 80 H ASP 80 -2.423 -12.279 7.609 187 HA ASP 80 HA ASP 80 -0.045 -10.841 6.511 188 1HB ASP 80 1HB ASP 80 -1.564 -13.347 5.520 189 2HB ASP 80 2HB ASP 80 -0.235 -12.636 4.634 190 H GLY 81 H GLY 81 -0.019 -9.454 4.852 191 1HA GLY 81 1HA GLY 81 -0.881 -8.298 2.859 192 2HA GLY 81 2HA GLY 81 -2.488 -8.915 3.153 193 H ALA 82 H ALA 82 -1.478 -7.690 6.128 194 HA ALA 82 HA ALA 82 -3.616 -5.717 6.021 195 1HB ALA 82 1HB ALA 82 -1.474 -6.120 8.205 196 2HB ALA 82 2HB ALA 82 -2.936 -5.119 8.345 197 3HB ALA 82 3HB ALA 82 -3.088 -6.874 8.124 198 H PHE 83 H PHE 83 -3.524 -3.820 5.027 199 HA PHE 83 HA PHE 83 -0.862 -2.312 4.880 200 1HB PHE 83 1HB PHE 83 -1.222 -1.803 2.624 201 2HB PHE 83 2HB PHE 83 -1.485 -3.484 2.803 202 HD1 PHE 83 HD2 PHE 83 -3.204 -0.255 2.075 203 HD2 PHE 83 HD1 PHE 83 -3.773 -4.493 2.462 204 HE1 PHE 83 HE2 PHE 83 -5.452 -0.060 1.094 205 HE2 PHE 83 HE1 PHE 83 -6.031 -4.273 1.529 206 HZ PHE 83 HZ PHE 83 -6.866 -2.062 0.813 207 H LEU 84 H LEU 84 -0.781 -0.173 4.519 208 HA LEU 84 HA LEU 84 -3.219 1.522 4.763 209 1HB LEU 84 1HB LEU 84 -2.619 2.970 6.536 210 2HB LEU 84 2HB LEU 84 -2.652 1.338 7.117 211 HG LEU 84 HG LEU 84 0.044 1.492 6.756 212 1HD1 LEU 84 3HD1 LEU 84 0.093 3.815 5.765 213 2HD1 LEU 84 1HD1 LEU 84 -0.675 4.462 7.226 214 3HD1 LEU 84 2HD1 LEU 84 0.956 3.749 7.297 215 1HD2 LEU 84 1HD2 LEU 84 -1.169 1.087 8.952 216 2HD2 LEU 84 2HD2 LEU 84 0.280 2.083 9.133 217 3HD2 LEU 84 3HD2 LEU 84 -1.330 2.844 9.171 218 H ILE 85 H ILE 85 -3.082 3.352 3.614 219 HA ILE 85 HA ILE 85 -0.526 3.858 2.029 220 HB ILE 85 HB ILE 85 -3.311 5.060 1.544 221 1HG1 ILE 85 1HG1 ILE 85 -2.900 3.822 -0.770 222 2HG1 ILE 85 2HG1 ILE 85 -1.716 2.861 0.091 223 1HG2 ILE 85 3HG2 ILE 85 -0.668 5.457 -0.008 224 2HG2 ILE 85 1HG2 ILE 85 -2.266 6.029 -0.549 225 3HG2 ILE 85 2HG2 ILE 85 -1.542 6.706 0.907 226 1HD1 ILE 85 2HD1 ILE 85 -4.743 3.090 0.741 227 2HD1 ILE 85 3HD1 ILE 85 -3.924 1.741 -0.079 228 3HD1 ILE 85 1HD1 ILE 85 -3.609 2.040 1.630 229 H ARG 86 H ARG 86 0.791 5.231 2.890 230 HA ARG 86 HA ARG 86 -0.138 7.650 4.533 231 1HB ARG 86 1HB ARG 86 1.971 7.738 5.654 232 2HB ARG 86 2HB ARG 86 1.273 6.153 5.865 233 1HG ARG 86 1HG ARG 86 2.899 5.353 3.934 234 2HG ARG 86 2HG ARG 86 3.657 6.936 4.088 235 1HD ARG 86 1HD ARG 86 3.944 6.342 6.667 236 2HD ARG 86 2HD ARG 86 3.438 4.728 6.228 237 HE ARG 86 HE ARG 86 5.523 4.326 5.079 238 1HH1 ARG 86 2HH2 ARG 86 5.386 7.731 6.101 239 2HH1 ARG 86 1HH2 ARG 86 7.179 7.916 5.756 240 1HH2 ARG 86 1HH1 ARG 86 7.551 4.657 4.724 241 2HH2 ARG 86 2HH1 ARG 86 8.316 6.297 5.031 242 H GLU 87 H GLU 87 0.265 9.610 3.660 243 HA GLU 87 HA GLU 87 1.150 9.742 0.831 244 1HB GLU 87 1HB GLU 87 -0.775 11.064 1.724 245 2HB GLU 87 2HB GLU 87 0.315 12.044 2.690 246 1HG GLU 87 1HG GLU 87 1.437 12.864 0.547 247 2HG GLU 87 2HG GLU 87 0.371 11.836 -0.402 248 H SER 88 H SER 88 2.953 10.572 -0.016 249 HA SER 88 HA SER 88 5.428 10.898 1.595 250 1HB SER 88 1HB SER 88 4.999 11.490 -1.404 251 2HB SER 88 2HB SER 88 6.549 11.445 -0.568 252 HG SER 88 HG SER 88 6.044 9.496 -1.577 253 H GLU 89 H GLU 89 6.075 12.682 2.536 254 HA GLU 89 HA GLU 89 4.696 15.305 2.253 255 1HB GLU 89 1HB GLU 89 5.543 14.307 4.421 256 2HB GLU 89 2HB GLU 89 7.197 14.623 3.898 257 1HG GLU 89 1HG GLU 89 6.703 17.105 3.834 258 2HG GLU 89 2HG GLU 89 5.014 16.800 4.225 259 H SER 90 H SER 90 8.060 14.217 1.546 260 HA SER 90 HA SER 90 8.997 16.646 0.250 261 1HB SER 90 1HB SER 90 10.471 14.763 1.043 262 2HB SER 90 2HB SER 90 9.900 13.749 -0.288 263 HG SER 90 HG SER 90 11.831 14.837 -0.742 264 H ALA 91 H ALA 91 7.035 13.989 -1.147 265 HA ALA 91 HA ALA 91 6.840 15.611 -3.754 266 1HB ALA 91 3HB ALA 91 6.553 12.565 -3.451 267 2HB ALA 91 1HB ALA 91 6.257 13.518 -4.927 268 3HB ALA 91 2HB ALA 91 7.890 13.439 -4.240 269 HA PRO 92 HA PRO 92 2.833 15.759 -1.276 270 1HB PRO 92 1HB PRO 92 1.957 18.308 -1.999 271 2HB PRO 92 2HB PRO 92 3.182 17.982 -0.763 272 1HG PRO 92 1HG PRO 92 3.650 18.752 -3.685 273 2HG PRO 92 2HG PRO 92 4.409 19.453 -2.236 274 1HD PRO 92 1HD PRO 92 5.669 17.521 -3.750 275 2HD PRO 92 2HD PRO 92 5.880 17.568 -1.973 276 H GLY 93 H GLY 93 0.969 14.935 -1.883 277 1HA GLY 93 1HA GLY 93 -0.947 14.468 -3.411 278 2HA GLY 93 2HA GLY 93 -0.029 15.028 -4.793 279 H ASP 94 H ASP 94 2.412 13.467 -3.987 280 HA ASP 94 HA ASP 94 1.701 10.840 -5.277 281 1HB ASP 94 1HB ASP 94 4.375 12.049 -4.278 282 2HB ASP 94 2HB ASP 94 4.279 10.409 -4.844 283 H PHE 95 H PHE 95 1.627 8.925 -4.274 284 HA PHE 95 HA PHE 95 1.414 8.958 -1.219 285 1HB PHE 95 1HB PHE 95 -0.086 7.319 -3.362 286 2HB PHE 95 2HB PHE 95 -0.222 7.027 -1.665 287 HD1 PHE 95 HD2 PHE 95 -0.954 9.115 -0.126 288 HD2 PHE 95 HD1 PHE 95 -1.614 8.872 -4.365 289 HE1 PHE 95 HE2 PHE 95 -2.698 10.852 0.031 290 HE2 PHE 95 HE1 PHE 95 -3.394 10.581 -4.169 291 HZ PHE 95 HZ PHE 95 -3.923 11.569 -1.980 292 H SER 96 H SER 96 1.614 6.780 -0.195 293 HA SER 96 HA SER 96 3.626 4.907 -1.479 294 1HB SER 96 1HB SER 96 4.181 6.224 1.262 295 2HB SER 96 2HB SER 96 5.050 4.830 0.611 296 HG SER 96 HG SER 96 4.829 7.370 -0.625 297 H LEU 97 H LEU 97 2.742 3.009 -1.342 298 HA LEU 97 HA LEU 97 0.694 2.225 0.718 299 1HB LEU 97 1HB LEU 97 0.501 1.535 -1.699 300 2HB LEU 97 2HB LEU 97 2.028 0.685 -1.596 301 HG LEU 97 HG LEU 97 0.914 -0.801 0.257 302 1HD1 LEU 97 3HD1 LEU 97 -1.667 0.423 -0.917 303 2HD1 LEU 97 1HD1 LEU 97 -1.580 -1.014 0.128 304 3HD1 LEU 97 2HD1 LEU 97 -1.095 0.568 0.767 305 1HD2 LEU 97 3HD2 LEU 97 1.433 -1.617 -2.042 306 2HD2 LEU 97 1HD2 LEU 97 -0.066 -2.326 -1.424 307 3HD2 LEU 97 2HD2 LEU 97 -0.139 -1.015 -2.633 308 H SER 98 H SER 98 1.262 1.411 2.564 309 HA SER 98 HA SER 98 4.008 0.088 3.110 310 1HB SER 98 1HB SER 98 2.113 1.388 5.111 311 2HB SER 98 2HB SER 98 3.726 0.767 5.439 312 HG SER 98 HG SER 98 3.061 2.883 3.670 313 H VAL 99 H VAL 99 3.358 -1.987 2.415 314 HA VAL 99 HA VAL 99 0.838 -3.235 3.611 315 HB VAL 99 HB VAL 99 0.670 -3.132 1.282 316 1HG1 VAL 99 2HG1 VAL 99 2.998 -3.046 0.467 317 2HG1 VAL 99 3HG1 VAL 99 3.277 -4.737 0.942 318 3HG1 VAL 99 1HG1 VAL 99 2.115 -4.346 -0.349 319 1HG2 VAL 99 2HG2 VAL 99 -0.239 -5.197 2.480 320 2HG2 VAL 99 3HG2 VAL 99 0.072 -5.441 0.752 321 3HG2 VAL 99 1HG2 VAL 99 1.194 -6.088 1.974 322 H LYS 100 H LYS 100 1.084 -4.509 5.161 323 HA LYS 100 HA LYS 100 3.618 -5.945 5.950 324 1HB LYS 100 1HB LYS 100 2.107 -4.893 7.586 325 2HB LYS 100 2HB LYS 100 0.806 -5.990 7.195 326 1HG LYS 100 1HG LYS 100 3.480 -7.175 8.141 327 2HG LYS 100 2HG LYS 100 2.528 -6.262 9.293 328 1HD LYS 100 1HD LYS 100 0.507 -7.724 8.825 329 2HD LYS 100 2HD LYS 100 1.489 -8.708 7.734 330 1HE LYS 100 1HE LYS 100 3.066 -9.213 9.698 331 2HE LYS 100 2HE LYS 100 1.996 -8.292 10.764 332 1HZ LYS 100 2HZ LYS 100 1.196 -10.706 9.205 333 2HZ LYS 100 3HZ LYS 100 1.496 -10.658 10.829 334 3HZ LYS 100 1HZ LYS 100 0.198 -9.848 10.205 335 H PHE 101 H PHE 101 4.008 -8.149 5.895 336 HA PHE 101 HA PHE 101 1.859 -10.044 5.114 337 1HB PHE 101 1HB PHE 101 2.916 -9.080 2.857 338 2HB PHE 101 2HB PHE 101 4.275 -10.100 3.203 339 HD1 PHE 101 HD2 PHE 101 3.953 -12.647 3.152 340 HD2 PHE 101 HD1 PHE 101 0.722 -9.975 2.183 341 HE1 PHE 101 HE2 PHE 101 2.713 -14.502 2.113 342 HE2 PHE 101 HE1 PHE 101 -0.512 -11.845 1.173 343 HZ PHE 101 HZ PHE 101 0.482 -14.107 1.123 344 H GLY 102 H GLY 102 2.158 -11.354 6.770 345 1HA GLY 102 1HA GLY 102 3.203 -13.254 7.865 346 2HA GLY 102 2HA GLY 102 4.741 -12.905 7.110 347 H ASN 103 H ASN 103 5.819 -10.888 7.916 348 HA ASN 103 HA ASN 103 5.119 -9.990 10.698 349 1HB ASN 103 1HB ASN 103 6.755 -11.944 10.946 350 2HB ASN 103 2HB ASN 103 7.946 -11.025 10.055 351 1HD2 ASN 103 1HD2 ASN 103 7.279 -10.108 14.021 352 2HD2 ASN 103 2HD2 ASN 103 6.149 -11.212 13.088 353 H ASP 104 H ASP 104 7.071 -9.469 7.917 354 HA ASP 104 HA ASP 104 7.951 -6.705 8.871 355 1HB ASP 104 1HB ASP 104 8.919 -8.369 6.456 356 2HB ASP 104 2HB ASP 104 9.477 -6.747 6.811 357 H VAL 105 H VAL 105 7.637 -4.847 7.762 358 HA VAL 105 HA VAL 105 5.259 -4.759 5.887 359 HB VAL 105 HB VAL 105 6.513 -2.415 7.365 360 1HG1 VAL 105 3HG2 VAL 105 5.037 -1.834 5.338 361 2HG1 VAL 105 1HG2 VAL 105 3.691 -2.699 6.101 362 3HG1 VAL 105 2HG2 VAL 105 4.366 -1.243 6.869 363 1HG2 VAL 105 1HG1 VAL 105 4.128 -4.158 8.275 364 2HG2 VAL 105 2HG1 VAL 105 5.655 -3.890 9.138 365 3HG2 VAL 105 3HG1 VAL 105 4.507 -2.558 8.948 366 H GLN 106 H GLN 106 5.593 -4.565 3.855 367 HA GLN 106 HA GLN 106 8.259 -3.644 2.705 368 1HB GLN 106 1HB GLN 106 5.938 -5.133 1.312 369 2HB GLN 106 2HB GLN 106 7.374 -4.511 0.527 370 1HG GLN 106 1HG GLN 106 7.979 -6.683 0.808 371 2HG GLN 106 2HG GLN 106 8.825 -5.879 2.119 372 1HE2 GLN 106 2HE2 GLN 106 7.523 -8.598 4.128 373 2HE2 GLN 106 1HE2 GLN 106 8.976 -7.763 3.380 374 H HIS 107 H HIS 107 8.427 -1.753 1.885 375 HA HIS 107 HA HIS 107 6.002 0.087 1.654 376 1HB HIS 107 1HB HIS 107 8.966 0.491 2.391 377 2HB HIS 107 2HB HIS 107 8.019 1.807 1.812 378 HD2 HIS 107 HD2 HIS 107 7.309 -0.978 4.532 379 HE1 HIS 107 HE1 HIS 107 5.922 2.570 6.079 380 HE2 HIS 107 HE2 HIS 107 6.252 0.125 6.677 381 H PHE 108 H PHE 108 5.354 0.371 -0.317 382 HA PHE 108 HA PHE 108 7.290 0.497 -2.712 383 1HB PHE 108 1HB PHE 108 4.367 -0.428 -2.770 384 2HB PHE 108 2HB PHE 108 5.459 -0.387 -4.130 385 HD1 PHE 108 HD1 PHE 108 7.735 -1.859 -3.839 386 HD2 PHE 108 HD2 PHE 108 4.080 -2.537 -1.669 387 HE1 PHE 108 HE1 PHE 108 8.441 -4.166 -3.347 388 HE2 PHE 108 HE2 PHE 108 4.803 -4.842 -1.194 389 HZ PHE 108 HZ PHE 108 6.995 -5.644 -1.998 390 H LYS 109 H LYS 109 7.228 2.374 -3.748 391 HA LYS 109 HA LYS 109 5.420 4.547 -2.771 392 1HB LYS 109 1HB LYS 109 7.857 4.959 -3.142 393 2HB LYS 109 2HB LYS 109 7.616 4.846 -4.884 394 1HG LYS 109 1HG LYS 109 5.996 6.789 -4.780 395 2HG LYS 109 2HG LYS 109 6.150 6.844 -3.027 396 1HD LYS 109 1HD LYS 109 8.587 7.430 -3.234 397 2HD LYS 109 2HD LYS 109 8.469 7.340 -4.995 398 1HE LYS 109 1HE LYS 109 6.730 9.213 -4.968 399 2HE LYS 109 2HE LYS 109 6.867 9.307 -3.208 400 1HZ LYS 109 1HZ LYS 109 9.097 9.794 -5.124 401 2HZ LYS 109 2HZ LYS 109 8.259 10.953 -4.297 402 3HZ LYS 109 3HZ LYS 109 9.222 9.888 -3.480 403 H VAL 110 H VAL 110 3.600 5.071 -3.626 404 HA VAL 110 HA VAL 110 2.622 4.182 -6.340 405 HB VAL 110 HB VAL 110 1.268 5.811 -4.134 406 1HG1 VAL 110 3HG1 VAL 110 0.052 4.843 -6.798 407 2HG1 VAL 110 1HG1 VAL 110 -0.886 5.511 -5.433 408 3HG1 VAL 110 2HG1 VAL 110 0.274 6.530 -6.291 409 1HG2 VAL 110 1HG2 VAL 110 1.526 3.365 -3.555 410 2HG2 VAL 110 2HG2 VAL 110 -0.171 3.827 -3.763 411 3HG2 VAL 110 3HG2 VAL 110 0.666 2.936 -5.055 412 H LEU 111 H LEU 111 3.763 5.202 -7.836 413 HA LEU 111 HA LEU 111 4.292 8.142 -7.812 414 1HB LEU 111 1HB LEU 111 4.755 6.046 -10.030 415 2HB LEU 111 2HB LEU 111 5.400 7.674 -10.047 416 HG LEU 111 HG LEU 111 6.123 5.539 -7.951 417 1HD1 LEU 111 2HD1 LEU 111 6.892 4.853 -10.222 418 2HD1 LEU 111 3HD1 LEU 111 7.717 6.414 -10.450 419 3HD1 LEU 111 1HD1 LEU 111 8.277 5.275 -9.197 420 1HD2 LEU 111 2HD2 LEU 111 7.459 8.279 -8.519 421 2HD2 LEU 111 3HD2 LEU 111 6.511 7.857 -7.073 422 3HD2 LEU 111 1HD2 LEU 111 8.059 7.050 -7.377 423 H ARG 112 H ARG 112 3.370 9.661 -9.045 424 HA ARG 112 HA ARG 112 0.808 8.991 -10.608 425 1HB ARG 112 1HB ARG 112 1.662 11.615 -9.220 426 2HB ARG 112 2HB ARG 112 0.239 11.444 -10.239 427 1HG ARG 112 1HG ARG 112 -0.701 9.676 -8.701 428 2HG ARG 112 2HG ARG 112 0.716 9.816 -7.675 429 1HD ARG 112 1HD ARG 112 -0.923 11.069 -6.581 430 2HD ARG 112 2HD ARG 112 0.162 12.280 -7.262 431 HE ARG 112 HE ARG 112 -1.880 12.027 -9.237 432 1HH1 ARG 112 2HH2 ARG 112 -1.918 12.792 -5.763 433 2HH1 ARG 112 1HH2 ARG 112 -3.460 13.761 -5.982 434 1HH2 ARG 112 1HH1 ARG 112 -3.634 13.154 -9.362 435 2HH2 ARG 112 2HH1 ARG 112 -4.361 13.950 -7.878 436 H ASP 113 H ASP 113 0.500 9.820 -12.621 437 HA ASP 113 HA ASP 113 2.938 10.444 -14.212 438 1HB ASP 113 1HB ASP 113 1.718 10.117 -16.191 439 2HB ASP 113 2HB ASP 113 1.317 8.836 -15.080 440 H GLY 114 H GLY 114 0.029 12.379 -13.424 441 1HA GLY 114 1HA GLY 114 1.357 14.981 -13.792 442 2HA GLY 114 2HA GLY 114 0.521 14.551 -15.289 443 H ALA 115 H ALA 115 -1.796 14.026 -15.109 444 HA ALA 115 HA ALA 115 -3.281 15.912 -13.353 445 1HB ALA 115 2HB ALA 115 -4.027 15.566 -15.678 446 2HB ALA 115 3HB ALA 115 -4.383 13.850 -15.355 447 3HB ALA 115 1HB ALA 115 -5.317 15.128 -14.541 448 H GLY 116 H GLY 116 -3.697 12.320 -13.680 449 1HA GLY 116 1HA GLY 116 -3.264 11.718 -10.898 450 2HA GLY 116 2HA GLY 116 -4.993 12.032 -11.022 451 H LYS 117 H LYS 117 -2.389 10.099 -12.452 452 HA LYS 117 HA LYS 117 -4.294 7.694 -12.634 453 1HB LYS 117 1HB LYS 117 -2.049 8.120 -14.674 454 2HB LYS 117 2HB LYS 117 -3.200 6.814 -14.600 455 1HG LYS 117 1HG LYS 117 -3.904 9.736 -15.253 456 2HG LYS 117 2HG LYS 117 -3.609 8.463 -16.423 457 1HD LYS 117 1HD LYS 117 -5.602 7.150 -15.505 458 2HD LYS 117 2HD LYS 117 -5.895 8.445 -14.357 459 1HE LYS 117 1HE LYS 117 -7.440 8.826 -16.144 460 2HE LYS 117 2HE LYS 117 -6.223 10.086 -16.300 461 1HZ LYS 117 2HZ LYS 117 -6.328 7.569 -17.907 462 2HZ LYS 117 3HZ LYS 117 -6.757 9.075 -18.434 463 3HZ LYS 117 1HZ LYS 117 -5.179 8.745 -18.074 464 H TYR 118 H TYR 118 -3.614 6.506 -11.057 465 HA TYR 118 HA TYR 118 -0.909 6.795 -9.808 466 1HB TYR 118 1HB TYR 118 -3.301 5.065 -8.887 467 2HB TYR 118 2HB TYR 118 -1.890 5.455 -7.950 468 HD1 TYR 118 HD1 TYR 118 -1.612 7.770 -6.939 469 HD2 TYR 118 HD2 TYR 118 -5.058 6.781 -9.306 470 HE1 TYR 118 HE1 TYR 118 -2.741 9.810 -6.178 471 HE2 TYR 118 HE2 TYR 118 -6.175 8.831 -8.532 472 HH TYR 118 HH TYR 118 -6.021 10.648 -7.265 473 H PHE 119 H PHE 119 0.702 5.342 -9.925 474 HA PHE 119 HA PHE 119 0.241 2.453 -10.760 475 1HB PHE 119 1HB PHE 119 1.913 2.410 -12.488 476 2HB PHE 119 2HB PHE 119 0.649 3.511 -12.894 477 HD1 PHE 119 HD2 PHE 119 1.071 6.028 -12.911 478 HD2 PHE 119 HD1 PHE 119 4.254 3.212 -12.245 479 HE1 PHE 119 HE2 PHE 119 2.734 7.766 -13.438 480 HE2 PHE 119 HE1 PHE 119 5.900 4.964 -12.777 481 HZ PHE 119 HZ PHE 119 5.144 7.243 -13.367 482 H LEU 120 H LEU 120 1.581 1.055 -9.774 483 HA LEU 120 HA LEU 120 4.186 2.042 -8.579 484 1HB LEU 120 1HB LEU 120 4.010 1.268 -6.470 485 2HB LEU 120 2HB LEU 120 2.496 2.080 -6.743 486 HG LEU 120 HG LEU 120 2.939 -0.955 -6.581 487 1HD1 LEU 120 1HD2 LEU 120 3.108 0.416 -4.420 488 2HD1 LEU 120 2HD2 LEU 120 1.418 0.896 -4.634 489 3HD1 LEU 120 3HD2 LEU 120 1.829 -0.808 -4.403 490 1HD2 LEU 120 3HD1 LEU 120 0.284 0.562 -7.013 491 2HD2 LEU 120 1HD1 LEU 120 1.007 -0.630 -8.108 492 3HD2 LEU 120 2HD1 LEU 120 0.395 -1.142 -6.527 493 H TRP 121 H TRP 121 2.361 -0.852 -9.562 494 HA TRP 121 HA TRP 121 4.845 -2.576 -9.492 495 1HB TRP 121 1HB TRP 121 2.746 -3.453 -8.572 496 2HB TRP 121 2HB TRP 121 1.896 -3.188 -10.071 497 HD1 TRP 121 HD1 TRP 121 5.076 -5.316 -8.948 498 HE1 TRP 121 HE1 TRP 121 4.861 -7.784 -9.843 499 HE3 TRP 121 HE3 TRP 121 0.794 -4.585 -11.642 500 HZ2 TRP 121 HZ2 TRP 121 2.899 -9.119 -11.450 501 HZ3 TRP 121 HZ3 TRP 121 -0.230 -6.508 -12.798 502 HH2 TRP 121 HH2 TRP 121 0.803 -8.741 -12.701 503 H VAL 122 H VAL 122 2.369 -2.374 -12.085 504 HA VAL 122 HA VAL 122 4.332 -1.300 -14.031 505 HB VAL 122 HB VAL 122 4.877 -3.743 -14.007 506 1HG1 VAL 122 3HG2 VAL 122 2.623 -4.802 -13.869 507 2HG1 VAL 122 1HG2 VAL 122 2.293 -4.318 -15.548 508 3HG1 VAL 122 2HG2 VAL 122 3.619 -5.447 -15.184 509 1HG2 VAL 122 2HG1 VAL 122 5.536 -2.264 -15.903 510 2HG2 VAL 122 3HG1 VAL 122 5.230 -3.922 -16.454 511 3HG2 VAL 122 1HG1 VAL 122 4.018 -2.650 -16.751 512 H VAL 123 H VAL 123 1.205 -2.947 -13.986 513 HA VAL 123 HA VAL 123 0.106 -1.255 -16.118 514 HB VAL 123 HB VAL 123 -0.546 -3.589 -15.836 515 1HG1 VAL 123 2HG1 VAL 123 -0.838 -3.791 -13.335 516 2HG1 VAL 123 3HG1 VAL 123 -2.331 -2.830 -13.438 517 3HG1 VAL 123 1HG1 VAL 123 -2.228 -4.413 -14.241 518 1HG2 VAL 123 3HG2 VAL 123 -1.967 -2.068 -17.198 519 2HG2 VAL 123 1HG2 VAL 123 -2.919 -3.374 -16.464 520 3HG2 VAL 123 2HG2 VAL 123 -2.994 -1.729 -15.784 521 H LYS 124 H LYS 124 -0.537 0.788 -15.939 522 HA LYS 124 HA LYS 124 -1.004 2.142 -13.456 523 1HB LYS 124 1HB LYS 124 0.072 2.968 -15.572 524 2HB LYS 124 2HB LYS 124 -1.481 2.972 -16.402 525 1HG LYS 124 1HG LYS 124 -2.308 4.810 -14.989 526 2HG LYS 124 2HG LYS 124 -0.978 4.635 -13.865 527 1HD LYS 124 1HD LYS 124 -0.216 6.426 -15.039 528 2HD LYS 124 2HD LYS 124 0.633 5.160 -15.893 529 1HE LYS 124 1HE LYS 124 -2.025 6.454 -16.863 530 2HE LYS 124 2HE LYS 124 -0.427 7.032 -17.320 531 1HZ LYS 124 1HZ LYS 124 0.024 4.878 -18.356 532 2HZ LYS 124 2HZ LYS 124 -1.473 4.317 -17.938 533 3HZ LYS 124 3HZ LYS 124 -1.328 5.572 -19.002 534 H PHE 125 H PHE 125 -2.717 3.114 -12.628 535 HA PHE 125 HA PHE 125 -5.521 2.073 -13.327 536 1HB PHE 125 1HB PHE 125 -4.568 2.869 -10.503 537 2HB PHE 125 2HB PHE 125 -6.050 2.068 -10.937 538 HD1 PHE 125 HD2 PHE 125 -5.880 -0.369 -11.973 539 HD2 PHE 125 HD1 PHE 125 -2.584 1.564 -9.993 540 HE1 PHE 125 HE2 PHE 125 -4.719 -2.523 -11.764 541 HE2 PHE 125 HE1 PHE 125 -1.461 -0.602 -9.752 542 HZ PHE 125 HZ PHE 125 -2.506 -2.645 -10.651 543 H ASN 126 H ASN 126 -7.287 3.468 -12.774 544 HA ASN 126 HA ASN 126 -6.773 6.385 -13.282 545 1HB ASN 126 1HB ASN 126 -8.667 5.183 -14.386 546 2HB ASN 126 2HB ASN 126 -9.406 4.855 -12.840 547 1HD2 ASN 126 1HD2 ASN 126 -9.999 8.534 -14.542 548 2HD2 ASN 126 2HD2 ASN 126 -8.839 7.307 -15.260 549 H SER 127 H SER 127 -8.401 4.641 -10.551 550 HA SER 127 HA SER 127 -7.772 7.055 -8.773 551 1HB SER 127 1HB SER 127 -9.688 6.501 -7.420 552 2HB SER 127 2HB SER 127 -10.197 6.589 -9.101 553 HG SER 127 HG SER 127 -10.039 4.294 -9.167 554 H LEU 128 H LEU 128 -7.355 6.678 -6.565 555 HA LEU 128 HA LEU 128 -5.316 4.639 -5.924 556 1HB LEU 128 1HB LEU 128 -5.483 7.022 -4.970 557 2HB LEU 128 2HB LEU 128 -6.862 6.490 -4.031 558 HG LEU 128 HG LEU 128 -5.295 4.746 -2.916 559 1HD1 LEU 128 3HD2 LEU 128 -3.075 6.414 -4.286 560 2HD1 LEU 128 1HD2 LEU 128 -2.818 5.206 -3.004 561 3HD1 LEU 128 2HD2 LEU 128 -3.428 4.695 -4.586 562 1HD2 LEU 128 2HD1 LEU 128 -5.992 6.886 -1.800 563 2HD2 LEU 128 3HD1 LEU 128 -4.351 6.417 -1.336 564 3HD2 LEU 128 1HD1 LEU 128 -4.596 7.730 -2.515 565 H ASN 129 H ASN 129 -8.815 4.793 -5.282 566 HA ASN 129 HA ASN 129 -8.992 2.389 -3.586 567 1HB ASN 129 1HB ASN 129 -11.248 3.481 -5.348 568 2HB ASN 129 2HB ASN 129 -11.380 2.324 -4.042 569 1HD2 ASN 129 1HD2 ASN 129 -11.057 6.297 -3.026 570 2HD2 ASN 129 2HD2 ASN 129 -10.679 5.731 -4.729 571 H GLU 130 H GLU 130 -9.278 2.852 -7.149 572 HA GLU 130 HA GLU 130 -9.679 0.049 -7.919 573 1HB GLU 130 1HB GLU 130 -8.447 2.424 -9.439 574 2HB GLU 130 2HB GLU 130 -8.604 0.838 -10.167 575 1HG GLU 130 1HG GLU 130 -11.042 0.838 -9.990 576 2HG GLU 130 2HG GLU 130 -11.046 2.320 -9.039 577 H LEU 131 H LEU 131 -6.650 1.872 -7.428 578 HA LEU 131 HA LEU 131 -4.750 -0.163 -8.199 579 1HB LEU 131 1HB LEU 131 -4.282 2.226 -7.852 580 2HB LEU 131 2HB LEU 131 -4.579 2.135 -6.136 581 HG LEU 131 HG LEU 131 -2.294 0.531 -7.423 582 1HD1 LEU 131 2HD1 LEU 131 -2.025 2.907 -8.143 583 2HD1 LEU 131 3HD1 LEU 131 -2.196 3.468 -6.464 584 3HD1 LEU 131 1HD1 LEU 131 -0.786 2.501 -6.951 585 1HD2 LEU 131 3HD2 LEU 131 -2.698 1.627 -4.550 586 2HD2 LEU 131 1HD2 LEU 131 -2.702 -0.085 -5.033 587 3HD2 LEU 131 2HD2 LEU 131 -1.210 0.848 -5.132 588 H VAL 132 H VAL 132 -6.108 0.358 -4.913 589 HA VAL 132 HA VAL 132 -4.732 -2.000 -3.810 590 HB VAL 132 HB VAL 132 -6.025 -1.841 -1.790 591 1HG1 VAL 132 2HG1 VAL 132 -4.080 -0.383 -1.988 592 2HG1 VAL 132 3HG1 VAL 132 -5.057 0.911 -2.741 593 3HG1 VAL 132 1HG1 VAL 132 -5.364 0.432 -1.059 594 1HG2 VAL 132 1HG2 VAL 132 -8.313 -1.250 -2.518 595 2HG2 VAL 132 2HG2 VAL 132 -7.717 -0.105 -1.324 596 3HG2 VAL 132 3HG2 VAL 132 -7.767 0.362 -3.043 597 H ASP 133 H ASP 133 -8.101 -1.594 -4.982 598 HA ASP 133 HA ASP 133 -8.846 -4.252 -4.203 599 1HB ASP 133 1HB ASP 133 -10.935 -4.053 -5.410 600 2HB ASP 133 2HB ASP 133 -10.581 -2.654 -4.431 601 H TYR 134 H TYR 134 -7.251 -3.200 -7.183 602 HA TYR 134 HA TYR 134 -7.526 -5.766 -8.668 603 1HB TYR 134 1HB TYR 134 -7.021 -3.693 -9.880 604 2HB TYR 134 2HB TYR 134 -5.583 -3.399 -8.941 605 HD1 TYR 134 HD1 TYR 134 -7.031 -5.567 -11.642 606 HD2 TYR 134 HD2 TYR 134 -3.483 -4.591 -9.418 607 HE1 TYR 134 HE1 TYR 134 -5.658 -6.794 -13.271 608 HE2 TYR 134 HE2 TYR 134 -2.121 -5.801 -11.052 609 HH TYR 134 HH TYR 134 -2.112 -6.994 -12.926 610 H HIS 135 H HIS 135 -4.837 -4.345 -6.694 611 HA HIS 135 HA HIS 135 -3.362 -6.896 -6.630 612 1HB HIS 135 1HB HIS 135 -2.875 -4.358 -4.967 613 2HB HIS 135 2HB HIS 135 -1.844 -5.777 -4.946 614 HD2 HIS 135 HD2 HIS 135 -1.730 -2.536 -6.493 615 HE1 HIS 135 HE1 HIS 135 -0.075 -4.955 -9.428 616 HE2 HIS 135 HE2 HIS 135 -0.324 -2.486 -8.742 617 H ARG 136 H ARG 136 -6.046 -6.101 -4.820 618 HA ARG 136 HA ARG 136 -5.677 -7.706 -2.407 619 1HB ARG 136 1HB ARG 136 -7.490 -6.055 -2.964 620 2HB ARG 136 2HB ARG 136 -8.168 -7.161 -4.147 621 1HG ARG 136 1HG ARG 136 -8.919 -8.694 -2.442 622 2HG ARG 136 2HG ARG 136 -7.961 -7.942 -1.181 623 1HD ARG 136 1HD ARG 136 -10.210 -6.457 -2.701 624 2HD ARG 136 2HD ARG 136 -10.503 -7.350 -1.223 625 HE ARG 136 HE ARG 136 -9.187 -4.670 -1.466 626 1HH1 ARG 136 2HH2 ARG 136 -9.590 -7.452 0.713 627 2HH1 ARG 136 1HH2 ARG 136 -9.207 -6.389 2.159 628 1HH2 ARG 136 1HH1 ARG 136 -8.768 -3.562 0.246 629 2HH2 ARG 136 2HH1 ARG 136 -8.774 -4.336 1.909 630 H SER 137 H SER 137 -6.147 -8.681 -5.749 631 HA SER 137 HA SER 137 -6.034 -11.610 -5.001 632 1HB SER 137 1HB SER 137 -7.280 -10.423 -7.556 633 2HB SER 137 2HB SER 137 -7.017 -12.144 -7.260 634 HG SER 137 HG SER 137 -8.566 -10.403 -5.646 635 H THR 138 H THR 138 -4.672 -9.060 -7.124 636 HA THR 138 HA THR 138 -2.601 -10.981 -8.244 637 HB THR 138 HB THR 138 -3.183 -7.995 -8.858 638 HG1 THR 138 HG1 THR 138 -4.050 -8.870 -10.740 639 1HG2 THR 138 2HG2 THR 138 -1.305 -9.927 -10.371 640 2HG2 THR 138 3HG2 THR 138 -1.899 -8.382 -11.018 641 3HG2 THR 138 1HG2 THR 138 -0.860 -8.386 -9.589 642 H SER 139 H SER 139 -0.360 -10.530 -8.175 643 HA SER 139 HA SER 139 0.634 -9.758 -5.495 644 1HB SER 139 1HB SER 139 1.615 -11.649 -6.758 645 2HB SER 139 2HB SER 139 2.204 -10.554 -8.020 646 HG SER 139 HG SER 139 3.400 -9.478 -6.390 647 H VAL 140 H VAL 140 1.103 -7.780 -4.876 648 HA VAL 140 HA VAL 140 1.597 -5.485 -6.724 649 HB VAL 140 HB VAL 140 0.315 -5.183 -4.644 650 1HG1 VAL 140 2HG1 VAL 140 2.959 -5.484 -3.090 651 2HG1 VAL 140 3HG1 VAL 140 1.449 -4.815 -2.442 652 3HG1 VAL 140 1HG1 VAL 140 1.503 -6.506 -2.957 653 1HG2 VAL 140 3HG2 VAL 140 1.363 -3.250 -5.848 654 2HG2 VAL 140 1HG2 VAL 140 1.112 -2.972 -4.115 655 3HG2 VAL 140 2HG2 VAL 140 2.748 -3.320 -4.732 656 H SER 141 H SER 141 3.701 -7.594 -4.794 657 HA SER 141 HA SER 141 6.180 -6.018 -5.484 658 1HB SER 141 1HB SER 141 5.869 -7.190 -3.247 659 2HB SER 141 2HB SER 141 5.889 -8.743 -4.059 660 HG SER 141 HG SER 141 7.967 -8.185 -4.872 661 H ARG 142 H ARG 142 7.749 -6.709 -6.884 662 HA ARG 142 HA ARG 142 7.037 -8.425 -9.195 663 1HB ARG 142 1HB ARG 142 8.500 -6.375 -9.364 664 2HB ARG 142 2HB ARG 142 9.742 -7.193 -8.433 665 1HG ARG 142 1HG ARG 142 9.657 -9.042 -10.375 666 2HG ARG 142 2HG ARG 142 8.711 -7.861 -11.256 667 1HD ARG 142 1HD ARG 142 11.021 -7.644 -11.984 668 2HD ARG 142 2HD ARG 142 10.630 -6.202 -11.070 669 HE ARG 142 HE ARG 142 12.248 -6.796 -9.392 670 1HH1 ARG 142 2HH2 ARG 142 11.727 -9.628 -11.481 671 2HH1 ARG 142 1HH2 ARG 142 13.137 -10.489 -10.684 672 1HH2 ARG 142 1HH1 ARG 142 13.828 -7.870 -8.558 673 2HH2 ARG 142 2HH1 ARG 142 14.244 -9.559 -9.141 674 H ASN 143 H ASN 143 9.739 -8.817 -6.816 675 HA ASN 143 HA ASN 143 10.112 -11.671 -7.490 676 1HB ASN 143 1HB ASN 143 11.954 -10.102 -6.778 677 2HB ASN 143 2HB ASN 143 11.301 -10.049 -5.156 678 1HD2 ASN 143 1HD2 ASN 143 12.979 -13.125 -4.293 679 2HD2 ASN 143 2HD2 ASN 143 11.936 -11.709 -3.769 680 H GLN 144 H GLN 144 8.845 -10.103 -4.484 681 HA GLN 144 HA GLN 144 7.996 -12.726 -3.320 682 1HB GLN 144 1HB GLN 144 7.456 -9.832 -2.383 683 2HB GLN 144 2HB GLN 144 6.983 -11.269 -1.497 684 1HG GLN 144 1HG GLN 144 9.392 -11.983 -1.277 685 2HG GLN 144 2HG GLN 144 9.901 -10.542 -2.142 686 1HE2 GLN 144 2HE2 GLN 144 8.929 -10.158 1.816 687 2HE2 GLN 144 1HE2 GLN 144 8.775 -11.749 0.915 688 H GLN 145 H GLN 145 5.819 -13.150 -2.609 689 HA GLN 145 HA GLN 145 3.632 -12.217 -4.564 690 1HB GLN 145 1HB GLN 145 3.785 -14.835 -2.982 691 2HB GLN 145 2HB GLN 145 2.397 -14.298 -3.899 692 1HG GLN 145 1HG GLN 145 5.163 -14.917 -5.095 693 2HG GLN 145 2HG GLN 145 3.777 -15.980 -5.121 694 1HE2 GLN 145 2HE2 GLN 145 2.236 -14.263 -7.921 695 2HE2 GLN 145 1HE2 GLN 145 2.004 -15.457 -6.547 696 H ILE 146 H ILE 146 3.049 -10.399 -3.557 697 HA ILE 146 HA ILE 146 2.157 -10.500 -0.624 698 HB ILE 146 HB ILE 146 2.993 -8.022 -2.204 699 1HG1 ILE 146 1HG1 ILE 146 4.992 -9.357 -1.929 700 2HG1 ILE 146 2HG1 ILE 146 5.058 -7.883 -0.993 701 1HG2 ILE 146 1HG2 ILE 146 2.332 -8.362 0.793 702 2HG2 ILE 146 2HG2 ILE 146 3.042 -6.898 0.075 703 3HG2 ILE 146 3HG2 ILE 146 1.415 -7.422 -0.396 704 1HD1 ILE 146 3HD1 ILE 146 4.515 -10.687 0.198 705 2HD1 ILE 146 1HD1 ILE 146 6.062 -9.804 0.237 706 3HD1 ILE 146 2HD1 ILE 146 4.668 -9.163 1.123 707 H PHE 147 H PHE 147 0.099 -10.505 -0.375 708 HA PHE 147 HA PHE 147 -1.827 -9.418 -2.524 709 1HB PHE 147 1HB PHE 147 -2.318 -11.871 -0.732 710 2HB PHE 147 2HB PHE 147 -3.425 -11.203 -1.908 711 HD1 PHE 147 HD2 PHE 147 -2.525 -11.000 -4.426 712 HD2 PHE 147 HD1 PHE 147 -0.813 -13.622 -1.476 713 HE1 PHE 147 HE2 PHE 147 -1.511 -12.364 -6.212 714 HE2 PHE 147 HE1 PHE 147 0.173 -14.980 -3.284 715 HZ PHE 147 HZ PHE 147 -0.157 -14.347 -5.639 716 H LEU 148 H LEU 148 -3.130 -7.920 -1.871 717 HA LEU 148 HA LEU 148 -2.838 -6.740 0.789 718 1HB LEU 148 1HB LEU 148 -4.344 -5.965 -1.766 719 2HB LEU 148 2HB LEU 148 -4.700 -5.125 -0.302 720 HG LEU 148 HG LEU 148 -2.315 -4.440 -0.005 721 1HD1 LEU 148 1HD2 LEU 148 -1.859 -5.781 -2.746 722 2HD1 LEU 148 2HD2 LEU 148 -0.751 -4.598 -2.009 723 3HD1 LEU 148 3HD2 LEU 148 -1.032 -6.160 -1.223 724 1HD2 LEU 148 2HD1 LEU 148 -3.974 -2.946 -1.122 725 2HD2 LEU 148 3HD1 LEU 148 -2.370 -2.720 -1.835 726 3HD2 LEU 148 1HD1 LEU 148 -3.598 -3.671 -2.704 727 H ARG 149 H ARG 149 -3.952 -6.987 2.542 728 HA ARG 149 HA ARG 149 -6.917 -7.776 2.538 729 1HB ARG 149 1HB ARG 149 -4.673 -8.676 4.463 730 2HB ARG 149 2HB ARG 149 -6.327 -8.597 4.999 731 1HG ARG 149 1HG ARG 149 -5.777 -10.848 4.441 732 2HG ARG 149 2HG ARG 149 -7.101 -10.278 3.437 733 1HD ARG 149 1HD ARG 149 -5.703 -10.094 1.471 734 2HD ARG 149 2HD ARG 149 -4.207 -10.289 2.391 735 HE ARG 149 HE ARG 149 -5.190 -12.716 2.975 736 1HH1 ARG 149 2HH2 ARG 149 -5.546 -11.093 -0.171 737 2HH1 ARG 149 1HH2 ARG 149 -5.573 -12.721 -1.017 738 1HH2 ARG 149 1HH1 ARG 149 -5.231 -14.501 1.908 739 2HH2 ARG 149 2HH1 ARG 149 -5.407 -14.516 0.081 740 H ASP 150 H ASP 150 -8.157 -6.637 3.925 741 HA ASP 150 HA ASP 150 -7.262 -3.885 4.601 742 1HB ASP 150 1HB ASP 150 -9.606 -4.614 3.704 743 2HB ASP 150 2HB ASP 150 -9.987 -5.155 5.326 744 H ILE 151 H ILE 151 -7.441 -2.849 6.631 745 HA ILE 151 HA ILE 151 -5.894 -4.218 8.647 746 HB ILE 151 HB ILE 151 -6.009 -2.145 10.020 747 1HG1 ILE 151 1HG1 ILE 151 -7.804 -0.927 7.836 748 2HG1 ILE 151 2HG1 ILE 151 -8.379 -1.432 9.412 749 1HG2 ILE 151 2HG2 ILE 151 -4.295 -2.472 8.223 750 2HG2 ILE 151 3HG2 ILE 151 -5.348 -1.601 7.082 751 3HG2 ILE 151 1HG2 ILE 151 -4.666 -0.760 8.496 752 1HD1 ILE 151 2HD1 ILE 151 -6.843 0.249 10.539 753 2HD1 ILE 151 3HD1 ILE 151 -6.338 0.828 8.928 754 3HD1 ILE 151 1HD1 ILE 151 -8.031 0.992 9.440 755 H GLU 152 H GLU 152 -6.179 -4.412 10.869 756 HA GLU 152 HA GLU 152 -8.631 -5.947 11.567 757 1HB GLU 152 1HB GLU 152 -6.268 -6.657 12.095 758 2HB GLU 152 2HB GLU 152 -6.092 -5.304 13.203 759 1HG GLU 152 1HG GLU 152 -7.952 -6.285 14.649 760 2HG GLU 152 2HG GLU 152 -8.120 -7.621 13.511 761 HXT GLU 152 HO OH 153 -10.261 -4.945 12.075 No H/Q in entry = 761 Start of MODEL 9 1 1H GLY 58 1H GLY 58 -12.539 -2.047 8.308 2 2H GLY 58 2H GLY 58 -11.921 -3.135 7.255 3 1HA GLY 58 1HA GLY 58 -10.300 -1.481 9.119 4 2HA GLY 58 2HA GLY 58 -9.650 -2.637 7.961 5 H SER 59 H SER 59 -10.594 0.557 8.389 6 HA SER 59 HA SER 59 -11.048 1.248 5.489 7 1HB SER 59 1HB SER 59 -12.288 2.449 7.281 8 2HB SER 59 2HB SER 59 -10.778 3.092 7.941 9 HG SER 59 HG SER 59 -11.821 4.503 6.503 10 H TRP 60 H TRP 60 -9.294 0.952 4.300 11 HA TRP 60 HA TRP 60 -6.560 1.116 5.160 12 1HB TRP 60 1HB TRP 60 -5.856 0.909 2.784 13 2HB TRP 60 2HB TRP 60 -6.896 -0.323 3.419 14 HD1 TRP 60 HD1 TRP 60 -9.215 -0.768 2.304 15 HE1 TRP 60 HE1 TRP 60 -10.389 -0.091 0.019 16 HE3 TRP 60 HE3 TRP 60 -6.124 3.123 1.220 17 HZ2 TRP 60 HZ2 TRP 60 -9.837 1.947 -1.921 18 HZ3 TRP 60 HZ3 TRP 60 -6.469 4.397 -0.870 19 HH2 TRP 60 HH2 TRP 60 -8.301 3.823 -2.412 20 H PHE 61 H PHE 61 -8.386 3.738 3.575 21 HA PHE 61 HA PHE 61 -5.905 5.406 3.297 22 1HB PHE 61 1HB PHE 61 -7.883 5.466 1.644 23 2HB PHE 61 2HB PHE 61 -8.814 6.318 2.846 24 HD1 PHE 61 HD2 PHE 61 -5.892 6.498 0.541 25 HD2 PHE 61 HD1 PHE 61 -8.188 8.712 3.435 26 HE1 PHE 61 HE2 PHE 61 -4.815 8.581 -0.179 27 HE2 PHE 61 HE1 PHE 61 -7.082 10.787 2.708 28 HZ PHE 61 HZ PHE 61 -5.395 10.729 0.902 29 H PHE 62 H PHE 62 -5.140 6.637 4.843 30 HA PHE 62 HA PHE 62 -6.856 7.423 7.277 31 1HB PHE 62 1HB PHE 62 -3.882 6.764 7.233 32 2HB PHE 62 2HB PHE 62 -4.660 7.580 8.558 33 HD1 PHE 62 HD2 PHE 62 -4.428 4.345 6.767 34 HD2 PHE 62 HD1 PHE 62 -6.284 6.383 10.057 35 HE1 PHE 62 HE2 PHE 62 -5.174 2.179 7.695 36 HE2 PHE 62 HE1 PHE 62 -7.015 4.219 10.977 37 HZ PHE 62 HZ PHE 62 -6.463 2.116 9.799 38 H GLY 63 H GLY 63 -3.757 8.710 5.940 39 1HA GLY 63 1HA GLY 63 -4.889 11.119 4.805 40 2HA GLY 63 2HA GLY 63 -4.563 11.507 6.494 41 H LYS 64 H LYS 64 -2.459 11.769 7.140 42 HA LYS 64 HA LYS 64 -0.177 11.471 5.123 43 1HB LYS 64 1HB LYS 64 -1.271 13.738 4.865 44 2HB LYS 64 2HB LYS 64 -0.926 14.104 6.550 45 1HG LYS 64 1HG LYS 64 1.573 13.909 6.038 46 2HG LYS 64 2HG LYS 64 1.181 13.555 4.355 47 1HD LYS 64 1HD LYS 64 -0.055 15.804 4.219 48 2HD LYS 64 2HD LYS 64 0.460 16.149 5.871 49 1HE LYS 64 1HE LYS 64 2.890 16.014 5.142 50 2HE LYS 64 2HE LYS 64 2.374 15.651 3.486 51 1HZ LYS 64 1HZ LYS 64 1.730 18.153 4.971 52 2HZ LYS 64 2HZ LYS 64 2.855 17.999 3.771 53 3HZ LYS 64 3HZ LYS 64 1.250 17.815 3.427 54 H ILE 65 H ILE 65 0.666 9.869 6.332 55 HA ILE 65 HA ILE 65 1.751 10.568 9.103 56 HB ILE 65 HB ILE 65 1.440 8.298 9.890 57 1HG1 ILE 65 1HG1 ILE 65 -0.206 7.637 7.388 58 2HG1 ILE 65 2HG1 ILE 65 1.446 7.098 7.661 59 1HG2 ILE 65 2HG2 ILE 65 -0.271 10.070 10.367 60 2HG2 ILE 65 3HG2 ILE 65 -1.249 9.489 8.998 61 3HG2 ILE 65 1HG2 ILE 65 -0.953 8.436 10.402 62 1HD1 ILE 65 3HD1 ILE 65 0.743 5.881 9.763 63 2HD1 ILE 65 1HD1 ILE 65 -0.955 6.321 9.419 64 3HD1 ILE 65 2HD1 ILE 65 -0.057 5.284 8.288 65 HA PRO 66 HA PRO 66 5.736 9.247 7.384 66 1HB PRO 66 1HB PRO 66 7.251 8.839 9.659 67 2HB PRO 66 2HB PRO 66 6.621 10.422 9.194 68 1HG PRO 66 1HG PRO 66 5.422 8.458 11.212 69 2HG PRO 66 2HG PRO 66 5.751 10.193 11.447 70 1HD PRO 66 1HD PRO 66 3.244 9.242 10.732 71 2HD PRO 66 2HD PRO 66 3.823 10.832 10.168 72 H ARG 67 H ARG 67 7.439 7.524 7.586 73 HA ARG 67 HA ARG 67 6.402 4.826 7.122 74 1HB ARG 67 1HB ARG 67 8.464 5.848 6.115 75 2HB ARG 67 2HB ARG 67 9.301 5.775 7.642 76 1HG ARG 67 1HG ARG 67 9.415 3.377 7.638 77 2HG ARG 67 2HG ARG 67 8.187 3.185 6.415 78 1HD ARG 67 1HD ARG 67 10.964 4.432 5.881 79 2HD ARG 67 2HD ARG 67 10.560 2.726 5.654 80 HE ARG 67 HE ARG 67 8.658 4.401 4.140 81 1HH1 ARG 67 2HH2 ARG 67 11.992 3.176 3.982 82 2HH1 ARG 67 1HH2 ARG 67 11.976 3.332 2.154 83 1HH2 ARG 67 1HH1 ARG 67 8.750 4.537 2.061 84 2HH2 ARG 67 2HH1 ARG 67 10.262 4.051 1.141 85 H ALA 68 H ALA 68 7.929 6.218 9.954 86 HA ALA 68 HA ALA 68 8.247 3.693 11.491 87 1HB ALA 68 2HB ALA 68 9.692 5.646 11.999 88 2HB ALA 68 3HB ALA 68 8.284 6.592 12.547 89 3HB ALA 68 1HB ALA 68 8.797 5.142 13.444 90 H LYS 69 H LYS 69 5.748 6.301 11.718 91 HA LYS 69 HA LYS 69 4.055 4.862 13.661 92 1HB LYS 69 1HB LYS 69 3.315 7.058 11.643 93 2HB LYS 69 2HB LYS 69 2.173 6.399 12.781 94 1HG LYS 69 1HG LYS 69 4.739 7.906 13.544 95 2HG LYS 69 2HG LYS 69 3.121 8.567 13.523 96 1HD LYS 69 1HD LYS 69 4.170 6.377 15.412 97 2HD LYS 69 2HD LYS 69 3.878 8.046 15.830 98 1HE LYS 69 1HE LYS 69 1.681 6.007 15.048 99 2HE LYS 69 2HE LYS 69 2.114 6.473 16.686 100 1HZ LYS 69 1HZ LYS 69 1.428 8.756 16.186 101 2HZ LYS 69 2HZ LYS 69 1.016 8.338 14.642 102 3HZ LYS 69 3HZ LYS 69 0.188 7.697 15.920 103 H ALA 70 H ALA 70 4.226 4.624 10.128 104 HA ALA 70 HA ALA 70 1.764 2.929 9.862 105 1HB ALA 70 3HB ALA 70 4.113 3.386 7.927 106 2HB ALA 70 1HB ALA 70 2.624 2.489 7.535 107 3HB ALA 70 2HB ALA 70 2.542 4.220 7.920 108 H GLU 71 H GLU 71 5.261 2.215 10.158 109 HA GLU 71 HA GLU 71 5.017 -0.728 10.135 110 1HB GLU 71 1HB GLU 71 7.196 1.127 11.274 111 2HB GLU 71 2HB GLU 71 7.323 -0.624 11.298 112 1HG GLU 71 1HG GLU 71 7.230 -0.762 8.817 113 2HG GLU 71 2HG GLU 71 6.984 0.971 8.686 114 H GLU 72 H GLU 72 4.946 1.619 12.868 115 HA GLU 72 HA GLU 72 4.803 -0.320 15.029 116 1HB GLU 72 1HB GLU 72 3.793 2.577 14.833 117 2HB GLU 72 2HB GLU 72 3.652 1.643 16.310 118 1HG GLU 72 1HG GLU 72 6.072 1.389 16.559 119 2HG GLU 72 2HG GLU 72 6.391 2.068 14.972 120 H MET 73 H MET 73 2.075 1.302 13.325 121 HA MET 73 HA MET 73 -0.064 -0.162 14.709 122 1HB MET 73 1HB MET 73 0.007 1.434 12.081 123 2HB MET 73 2HB MET 73 -1.415 0.523 12.532 124 1HG MET 73 1HG MET 73 -1.772 2.775 13.256 125 2HG MET 73 2HG MET 73 -1.622 1.779 14.703 126 1HE MET 73 2HE MET 73 -0.577 3.111 16.660 127 2HE MET 73 1HE MET 73 0.637 1.839 16.321 128 3HE MET 73 3HE MET 73 1.165 3.519 16.629 129 H LEU 74 H LEU 74 1.438 -0.820 11.506 130 HA LEU 74 HA LEU 74 -0.128 -3.274 11.049 131 1HB LEU 74 1HB LEU 74 2.251 -1.968 9.640 132 2HB LEU 74 2HB LEU 74 1.846 -3.610 9.253 133 HG LEU 74 HG LEU 74 -0.410 -3.082 8.543 134 1HD1 LEU 74 3HD1 LEU 74 0.120 -0.106 9.171 135 2HD1 LEU 74 1HD1 LEU 74 -1.263 -0.748 8.246 136 3HD1 LEU 74 2HD1 LEU 74 -1.089 -1.154 9.956 137 1HD2 LEU 74 3HD2 LEU 74 1.461 -2.908 6.887 138 2HD2 LEU 74 1HD2 LEU 74 0.145 -1.787 6.505 139 3HD2 LEU 74 2HD2 LEU 74 1.646 -1.172 7.242 140 H SER 75 H SER 75 2.962 -2.892 12.735 141 HA SER 75 HA SER 75 3.711 -5.729 12.775 142 1HB SER 75 1HB SER 75 5.266 -3.888 13.439 143 2HB SER 75 2HB SER 75 4.301 -3.560 14.885 144 HG SER 75 HG SER 75 6.068 -4.934 15.252 145 H LYS 76 H LYS 76 1.454 -3.875 14.832 146 HA LYS 76 HA LYS 76 0.727 -6.078 16.670 147 1HB LYS 76 1HB LYS 76 -0.860 -3.567 15.868 148 2HB LYS 76 2HB LYS 76 -1.349 -4.682 17.129 149 1HG LYS 76 1HG LYS 76 0.695 -4.209 18.458 150 2HG LYS 76 2HG LYS 76 1.300 -3.104 17.234 151 1HD LYS 76 1HD LYS 76 -1.357 -2.714 18.761 152 2HD LYS 76 2HD LYS 76 0.188 -2.029 19.252 153 1HE LYS 76 1HE LYS 76 0.342 -0.724 17.087 154 2HE LYS 76 2HE LYS 76 -1.214 -1.386 16.566 155 1HZ LYS 76 2HZ LYS 76 -0.798 0.278 19.000 156 2HZ LYS 76 3HZ LYS 76 -1.475 0.785 17.581 157 3HZ LYS 76 1HZ LYS 76 -2.249 -0.341 18.509 158 H GLN 77 H GLN 77 -0.518 -5.184 13.437 159 HA GLN 77 HA GLN 77 -2.868 -6.878 13.432 160 1HB GLN 77 1HB GLN 77 -1.207 -5.557 11.227 161 2HB GLN 77 2HB GLN 77 -2.251 -6.864 10.757 162 1HG GLN 77 1HG GLN 77 -3.478 -4.886 10.407 163 2HG GLN 77 2HG GLN 77 -4.239 -5.798 11.679 164 1HE2 GLN 77 2HE2 GLN 77 -3.194 -1.975 12.454 165 2HE2 GLN 77 1HE2 GLN 77 -2.902 -2.769 10.826 166 H ARG 78 H ARG 78 -2.980 -8.858 13.584 167 HA ARG 78 HA ARG 78 -0.902 -10.914 13.144 168 1HB ARG 78 1HB ARG 78 -2.568 -12.553 13.755 169 2HB ARG 78 2HB ARG 78 -2.654 -11.192 14.844 170 1HG ARG 78 1HG ARG 78 -4.695 -10.325 13.558 171 2HG ARG 78 2HG ARG 78 -4.633 -11.738 12.524 172 1HD ARG 78 1HD ARG 78 -5.066 -11.792 15.582 173 2HD ARG 78 2HD ARG 78 -6.344 -11.855 14.365 174 HE ARG 78 HE ARG 78 -4.542 -14.045 13.762 175 1HH1 ARG 78 2HH2 ARG 78 -6.815 -13.127 16.340 176 2HH1 ARG 78 1HH2 ARG 78 -7.096 -14.895 16.740 177 1HH2 ARG 78 1HH1 ARG 78 -4.938 -16.023 14.305 178 2HH2 ARG 78 2HH1 ARG 78 -6.104 -16.422 15.664 179 H HIS 79 H HIS 79 -3.178 -9.581 10.865 180 HA HIS 79 HA HIS 79 -3.358 -12.023 9.186 181 1HB HIS 79 1HB HIS 79 -4.374 -9.197 8.507 182 2HB HIS 79 2HB HIS 79 -4.822 -10.685 7.711 183 HD2 HIS 79 HD2 HIS 79 -6.062 -12.631 9.567 184 HE1 HIS 79 HE1 HIS 79 -7.743 -9.637 11.911 185 HE2 HIS 79 HE2 HIS 79 -7.880 -12.159 11.445 186 H ASP 80 H ASP 80 -2.236 -12.521 7.442 187 HA ASP 80 HA ASP 80 0.132 -10.962 6.544 188 1HB ASP 80 1HB ASP 80 0.049 -13.495 6.684 189 2HB ASP 80 2HB ASP 80 -1.079 -13.536 5.340 190 H GLY 81 H GLY 81 0.142 -9.478 4.999 191 1HA GLY 81 1HA GLY 81 -0.563 -8.383 2.895 192 2HA GLY 81 2HA GLY 81 -2.111 -9.186 2.966 193 H ALA 82 H ALA 82 -1.484 -7.857 6.052 194 HA ALA 82 HA ALA 82 -3.778 -6.078 5.825 195 1HB ALA 82 3HB ALA 82 -3.207 -7.257 7.917 196 2HB ALA 82 1HB ALA 82 -1.736 -6.273 8.120 197 3HB ALA 82 2HB ALA 82 -3.344 -5.519 8.190 198 H PHE 83 H PHE 83 -3.724 -4.224 4.687 199 HA PHE 83 HA PHE 83 -1.192 -2.522 4.680 200 1HB PHE 83 1HB PHE 83 -1.468 -2.076 2.393 201 2HB PHE 83 2HB PHE 83 -1.680 -3.770 2.579 202 HD1 PHE 83 HD1 PHE 83 -4.044 -4.777 2.367 203 HD2 PHE 83 HD2 PHE 83 -3.316 -0.639 1.546 204 HE1 PHE 83 HE1 PHE 83 -6.320 -4.556 1.457 205 HE2 PHE 83 HE2 PHE 83 -5.556 -0.447 0.542 206 HZ PHE 83 HZ PHE 83 -7.086 -2.389 0.552 207 H LEU 84 H LEU 84 -1.240 -0.402 4.169 208 HA LEU 84 HA LEU 84 -3.777 1.167 4.260 209 1HB LEU 84 1HB LEU 84 -3.156 2.821 5.883 210 2HB LEU 84 2HB LEU 84 -3.287 1.235 6.584 211 HG LEU 84 HG LEU 84 -0.669 1.150 6.583 212 1HD1 LEU 84 3HD1 LEU 84 -1.030 4.197 6.121 213 2HD1 LEU 84 1HD1 LEU 84 0.459 3.436 6.729 214 3HD1 LEU 84 2HD1 LEU 84 -0.091 3.088 5.099 215 1HD2 LEU 84 3HD2 LEU 84 -2.101 1.498 8.641 216 2HD2 LEU 84 1HD2 LEU 84 -0.575 2.394 8.742 217 3HD2 LEU 84 2HD2 LEU 84 -2.088 3.252 8.361 218 H ILE 85 H ILE 85 -3.693 3.058 3.122 219 HA ILE 85 HA ILE 85 -1.153 3.600 1.462 220 HB ILE 85 HB ILE 85 -4.098 4.324 0.951 221 1HG1 ILE 85 1HG1 ILE 85 -3.562 3.508 -1.385 222 2HG1 ILE 85 2HG1 ILE 85 -1.922 3.117 -0.889 223 1HG2 ILE 85 3HG2 ILE 85 -1.709 5.706 -0.421 224 2HG2 ILE 85 1HG2 ILE 85 -3.404 5.786 -0.965 225 3HG2 ILE 85 2HG2 ILE 85 -2.957 6.481 0.584 226 1HD1 ILE 85 1HD1 ILE 85 -4.474 1.773 0.232 227 2HD1 ILE 85 2HD1 ILE 85 -3.424 1.121 -1.042 228 3HD1 ILE 85 3HD1 ILE 85 -2.802 1.321 0.608 229 H ARG 86 H ARG 86 0.064 4.988 2.498 230 HA ARG 86 HA ARG 86 -1.054 7.326 4.140 231 1HB ARG 86 1HB ARG 86 1.092 7.551 5.198 232 2HB ARG 86 2HB ARG 86 0.543 5.904 5.391 233 1HG ARG 86 1HG ARG 86 2.145 5.197 3.505 234 2HG ARG 86 2HG ARG 86 2.680 6.873 3.393 235 1HD ARG 86 1HD ARG 86 3.372 6.676 5.927 236 2HD ARG 86 2HD ARG 86 3.031 4.964 5.776 237 HE ARG 86 HE ARG 86 4.993 4.645 4.414 238 1HH1 ARG 86 2HH2 ARG 86 4.461 8.132 4.867 239 2HH1 ARG 86 1HH2 ARG 86 6.106 8.490 4.136 240 1HH2 ARG 86 1HH1 ARG 86 6.839 5.170 3.599 241 2HH2 ARG 86 2HH1 ARG 86 7.357 6.925 3.468 242 H GLU 87 H GLU 87 -0.292 9.429 3.691 243 HA GLU 87 HA GLU 87 0.738 9.944 0.885 244 1HB GLU 87 1HB GLU 87 -1.117 11.360 1.885 245 2HB GLU 87 2HB GLU 87 0.045 12.043 3.011 246 1HG GLU 87 1HG GLU 87 1.401 12.931 1.046 247 2HG GLU 87 2HG GLU 87 0.255 12.197 -0.073 248 H SER 88 H SER 88 2.771 10.685 0.466 249 HA SER 88 HA SER 88 4.830 9.668 2.203 250 1HB SER 88 1HB SER 88 5.154 11.360 -0.358 251 2HB SER 88 2HB SER 88 6.444 10.422 0.396 252 HG SER 88 HG SER 88 3.986 9.379 -0.542 253 H GLU 89 H GLU 89 3.567 12.432 2.909 254 HA GLU 89 HA GLU 89 4.034 14.070 4.431 255 1HB GLU 89 1HB GLU 89 4.971 12.086 5.644 256 2HB GLU 89 2HB GLU 89 6.593 12.613 5.215 257 1HG GLU 89 1HG GLU 89 6.243 14.775 6.465 258 2HG GLU 89 2HG GLU 89 4.563 14.349 6.783 259 H SER 90 H SER 90 7.316 13.597 3.098 260 HA SER 90 HA SER 90 7.897 16.496 2.899 261 1HB SER 90 1HB SER 90 9.305 14.117 1.538 262 2HB SER 90 2HB SER 90 9.881 15.786 1.513 263 HG SER 90 HG SER 90 9.409 14.219 3.827 264 H ALA 91 H ALA 91 6.632 14.139 0.509 265 HA ALA 91 HA ALA 91 6.159 16.460 -1.464 266 1HB ALA 91 3HB ALA 91 6.572 13.486 -2.125 267 2HB ALA 91 1HB ALA 91 6.164 14.775 -3.282 268 3HB ALA 91 2HB ALA 91 7.717 14.819 -2.422 269 HA PRO 92 HA PRO 92 1.850 15.257 -0.122 270 1HB PRO 92 1HB PRO 92 1.257 17.921 -1.499 271 2HB PRO 92 2HB PRO 92 0.587 17.284 0.019 272 1HG PRO 92 1HG PRO 92 2.562 19.156 0.099 273 2HG PRO 92 2HG PRO 92 2.624 17.781 1.226 274 1HD PRO 92 1HD PRO 92 4.195 18.126 -1.390 275 2HD PRO 92 2HD PRO 92 4.761 17.559 0.210 276 H GLY 93 H GLY 93 2.829 16.136 -3.284 277 1HA GLY 93 1HA GLY 93 0.472 14.703 -4.648 278 2HA GLY 93 2HA GLY 93 1.731 15.588 -5.481 279 H ASP 94 H ASP 94 2.108 13.096 -2.968 280 HA ASP 94 HA ASP 94 2.761 10.914 -4.900 281 1HB ASP 94 1HB ASP 94 4.976 12.255 -4.661 282 2HB ASP 94 2HB ASP 94 4.999 11.838 -2.957 283 H PHE 95 H PHE 95 2.157 9.051 -3.983 284 HA PHE 95 HA PHE 95 1.612 8.907 -0.962 285 1HB PHE 95 1HB PHE 95 0.071 7.740 -3.376 286 2HB PHE 95 2HB PHE 95 -0.115 7.091 -1.786 287 HD1 PHE 95 HD1 PHE 95 -0.579 10.230 -3.774 288 HD2 PHE 95 HD2 PHE 95 -1.366 8.281 -0.026 289 HE1 PHE 95 HE1 PHE 95 -2.176 12.005 -3.179 290 HE2 PHE 95 HE2 PHE 95 -2.923 10.080 0.573 291 HZ PHE 95 HZ PHE 95 -3.352 11.935 -1.004 292 H SER 96 H SER 96 1.428 6.548 -0.286 293 HA SER 96 HA SER 96 3.598 4.759 -1.371 294 1HB SER 96 1HB SER 96 3.844 5.958 1.469 295 2HB SER 96 2HB SER 96 4.731 4.537 0.910 296 HG SER 96 HG SER 96 5.896 6.444 0.660 297 H LEU 97 H LEU 97 2.712 2.838 -1.342 298 HA LEU 97 HA LEU 97 0.480 1.957 0.504 299 1HB LEU 97 1HB LEU 97 0.465 1.209 -1.853 300 2HB LEU 97 2HB LEU 97 2.087 0.556 -1.718 301 HG LEU 97 HG LEU 97 1.149 -1.074 0.078 302 1HD1 LEU 97 2HD1 LEU 97 -1.011 -0.016 0.573 303 2HD1 LEU 97 3HD1 LEU 97 -1.557 -0.256 -1.115 304 3HD1 LEU 97 1HD1 LEU 97 -1.265 -1.654 -0.053 305 1HD2 LEU 97 3HD2 LEU 97 1.810 -1.822 -2.203 306 2HD2 LEU 97 1HD2 LEU 97 0.388 -2.713 -1.638 307 3HD2 LEU 97 2HD2 LEU 97 0.195 -1.407 -2.836 308 H SER 98 H SER 98 1.031 1.443 2.447 309 HA SER 98 HA SER 98 3.688 0.082 3.270 310 1HB SER 98 1HB SER 98 1.552 1.200 5.127 311 2HB SER 98 2HB SER 98 3.203 0.743 5.524 312 HG SER 98 HG SER 98 3.896 2.441 4.148 313 H VAL 99 H VAL 99 3.223 -2.036 2.587 314 HA VAL 99 HA VAL 99 0.588 -3.337 3.476 315 HB VAL 99 HB VAL 99 0.651 -3.309 1.126 316 1HG1 VAL 99 2HG1 VAL 99 3.057 -3.184 0.552 317 2HG1 VAL 99 3HG1 VAL 99 3.319 -4.857 1.104 318 3HG1 VAL 99 1HG1 VAL 99 2.287 -4.525 -0.307 319 1HG2 VAL 99 3HG2 VAL 99 -0.315 -5.364 2.293 320 2HG2 VAL 99 1HG2 VAL 99 0.209 -5.665 0.628 321 3HG2 VAL 99 2HG2 VAL 99 1.203 -6.209 2.002 322 H LYS 100 H LYS 100 0.706 -4.730 5.010 323 HA LYS 100 HA LYS 100 3.259 -5.590 6.236 324 1HB LYS 100 1HB LYS 100 1.204 -5.007 7.526 325 2HB LYS 100 2HB LYS 100 0.392 -6.444 6.962 326 1HG LYS 100 1HG LYS 100 3.109 -6.785 8.351 327 2HG LYS 100 2HG LYS 100 1.770 -6.219 9.324 328 1HD LYS 100 1HD LYS 100 0.399 -8.183 8.809 329 2HD LYS 100 2HD LYS 100 1.590 -8.800 7.658 330 1HE LYS 100 1HE LYS 100 3.282 -9.049 9.531 331 2HE LYS 100 2HE LYS 100 2.104 -8.413 10.688 332 1HZ LYS 100 3HZ LYS 100 0.648 -10.301 10.149 333 2HZ LYS 100 1HZ LYS 100 1.751 -10.895 9.072 334 3HZ LYS 100 2HZ LYS 100 2.120 -10.829 10.681 335 H PHE 101 H PHE 101 4.265 -7.492 6.168 336 HA PHE 101 HA PHE 101 2.920 -9.991 5.142 337 1HB PHE 101 1HB PHE 101 4.110 -8.859 3.160 338 2HB PHE 101 2HB PHE 101 5.625 -8.994 4.011 339 HD1 PHE 101 HD1 PHE 101 2.716 -11.161 2.808 340 HD2 PHE 101 HD2 PHE 101 6.958 -10.917 3.503 341 HE1 PHE 101 HE1 PHE 101 3.023 -13.385 1.804 342 HE2 PHE 101 HE2 PHE 101 7.243 -13.131 2.482 343 HZ PHE 101 HZ PHE 101 5.280 -14.372 1.630 344 H GLY 102 H GLY 102 4.409 -11.902 5.596 345 1HA GLY 102 1HA GLY 102 4.928 -12.158 8.427 346 2HA GLY 102 2HA GLY 102 5.479 -13.281 7.202 347 H ASN 103 H ASN 103 6.494 -11.237 9.528 348 HA ASN 103 HA ASN 103 8.532 -10.610 10.338 349 1HB ASN 103 1HB ASN 103 10.038 -11.717 7.912 350 2HB ASN 103 2HB ASN 103 10.780 -11.082 9.350 351 1HD2 ASN 103 1HD2 ASN 103 10.201 -14.072 11.298 352 2HD2 ASN 103 2HD2 ASN 103 10.563 -12.274 11.358 353 H ASP 104 H ASP 104 7.498 -9.247 7.431 354 HA ASP 104 HA ASP 104 9.016 -6.688 8.064 355 1HB ASP 104 1HB ASP 104 9.252 -8.006 5.276 356 2HB ASP 104 2HB ASP 104 9.740 -6.364 5.651 357 H VAL 105 H VAL 105 8.038 -4.903 7.453 358 HA VAL 105 HA VAL 105 5.366 -5.004 5.958 359 HB VAL 105 HB VAL 105 6.506 -2.697 7.628 360 1HG1 VAL 105 2HG1 VAL 105 5.029 -1.870 5.731 361 2HG1 VAL 105 3HG1 VAL 105 3.729 -2.939 6.268 362 3HG1 VAL 105 1HG1 VAL 105 4.268 -1.591 7.303 363 1HG2 VAL 105 3HG2 VAL 105 5.691 -4.538 9.134 364 2HG2 VAL 105 1HG2 VAL 105 4.640 -3.117 9.239 365 3HG2 VAL 105 2HG2 VAL 105 4.117 -4.539 8.305 366 H GLN 106 H GLN 106 5.630 -4.686 3.884 367 HA GLN 106 HA GLN 106 8.185 -3.514 2.746 368 1HB GLN 106 1HB GLN 106 5.934 -5.181 1.481 369 2HB GLN 106 2HB GLN 106 7.205 -4.419 0.534 370 1HG GLN 106 1HG GLN 106 8.987 -5.618 1.705 371 2HG GLN 106 2HG GLN 106 7.864 -6.306 2.866 372 1HE2 GLN 106 2HE2 GLN 106 7.245 -9.112 0.714 373 2HE2 GLN 106 1HE2 GLN 106 7.210 -8.353 2.384 374 H HIS 107 H HIS 107 8.220 -1.478 2.353 375 HA HIS 107 HA HIS 107 5.731 0.174 1.854 376 1HB HIS 107 1HB HIS 107 8.615 0.764 2.773 377 2HB HIS 107 2HB HIS 107 7.662 2.020 2.074 378 HD2 HIS 107 HD2 HIS 107 6.967 -0.664 4.899 379 HE1 HIS 107 HE1 HIS 107 5.151 2.853 6.054 380 HE2 HIS 107 HE2 HIS 107 5.636 0.484 6.870 381 H PHE 108 H PHE 108 5.209 0.408 -0.180 382 HA PHE 108 HA PHE 108 7.296 0.545 -2.437 383 1HB PHE 108 1HB PHE 108 4.304 -0.137 -2.637 384 2HB PHE 108 2HB PHE 108 5.407 -0.004 -3.975 385 HD1 PHE 108 HD2 PHE 108 7.182 -1.746 -4.385 386 HD2 PHE 108 HD1 PHE 108 4.329 -2.178 -1.193 387 HE1 PHE 108 HE2 PHE 108 7.752 -4.133 -4.184 388 HE2 PHE 108 HE1 PHE 108 4.923 -4.564 -1.004 389 HZ PHE 108 HZ PHE 108 6.645 -5.530 -2.482 390 H LYS 109 H LYS 109 7.420 2.379 -3.537 391 HA LYS 109 HA LYS 109 5.854 4.776 -2.607 392 1HB LYS 109 1HB LYS 109 8.368 4.783 -2.885 393 2HB LYS 109 2HB LYS 109 8.174 4.667 -4.630 394 1HG LYS 109 1HG LYS 109 6.908 6.878 -4.602 395 2HG LYS 109 2HG LYS 109 7.081 6.949 -2.848 396 1HD LYS 109 1HD LYS 109 9.601 6.970 -3.091 397 2HD LYS 109 2HD LYS 109 9.436 6.890 -4.849 398 1HE LYS 109 1HE LYS 109 8.218 9.110 -4.853 399 2HE LYS 109 2HE LYS 109 8.340 9.192 -3.088 400 1HZ LYS 109 2HZ LYS 109 10.659 9.113 -4.958 401 2HZ LYS 109 3HZ LYS 109 10.100 10.450 -4.162 402 3HZ LYS 109 1HZ LYS 109 10.766 9.200 -3.312 403 H VAL 110 H VAL 110 4.074 5.350 -3.529 404 HA VAL 110 HA VAL 110 3.201 4.417 -6.266 405 HB VAL 110 HB VAL 110 1.614 6.095 -4.235 406 1HG1 VAL 110 2HG1 VAL 110 0.720 6.315 -6.564 407 2HG1 VAL 110 3HG1 VAL 110 0.645 4.548 -6.728 408 3HG1 VAL 110 1HG1 VAL 110 -0.398 5.391 -5.550 409 1HG2 VAL 110 3HG2 VAL 110 1.484 3.055 -4.681 410 2HG2 VAL 110 1HG2 VAL 110 2.076 3.865 -3.218 411 3HG2 VAL 110 2HG2 VAL 110 0.367 3.998 -3.659 412 H LEU 111 H LEU 111 4.084 5.583 -7.841 413 HA LEU 111 HA LEU 111 4.723 8.492 -7.588 414 1HB LEU 111 1HB LEU 111 5.090 6.606 -9.980 415 2HB LEU 111 2HB LEU 111 5.788 8.207 -9.832 416 HG LEU 111 HG LEU 111 6.449 5.805 -8.024 417 1HD1 LEU 111 2HD1 LEU 111 7.221 5.443 -10.371 418 2HD1 LEU 111 3HD1 LEU 111 8.084 7.000 -10.359 419 3HD1 LEU 111 1HD1 LEU 111 8.607 5.676 -9.288 420 1HD2 LEU 111 2HD2 LEU 111 7.849 8.566 -8.171 421 2HD2 LEU 111 3HD2 LEU 111 6.886 7.946 -6.807 422 3HD2 LEU 111 1HD2 LEU 111 8.417 7.166 -7.227 423 H ARG 112 H ARG 112 3.474 10.084 -8.255 424 HA ARG 112 HA ARG 112 1.043 9.591 -10.038 425 1HB ARG 112 1HB ARG 112 1.805 12.052 -8.342 426 2HB ARG 112 2HB ARG 112 0.401 11.964 -9.396 427 1HG ARG 112 1HG ARG 112 -0.512 10.007 -8.071 428 2HG ARG 112 2HG ARG 112 0.879 10.101 -7.002 429 1HD ARG 112 1HD ARG 112 -0.757 11.261 -5.801 430 2HD ARG 112 2HD ARG 112 0.221 12.557 -6.475 431 HE ARG 112 HE ARG 112 -2.026 12.015 -8.292 432 1HH1 ARG 112 2HH2 ARG 112 -1.407 13.442 -5.094 433 2HH1 ARG 112 1HH2 ARG 112 -2.959 14.414 -5.211 434 1HH2 ARG 112 1HH1 ARG 112 -3.774 13.169 -8.313 435 2HH2 ARG 112 2HH1 ARG 112 -4.204 14.267 -6.907 436 H ASP 113 H ASP 113 0.666 10.844 -11.875 437 HA ASP 113 HA ASP 113 3.085 11.808 -13.363 438 1HB ASP 113 1HB ASP 113 1.816 11.944 -15.344 439 2HB ASP 113 2HB ASP 113 1.530 10.408 -14.578 440 H GLY 114 H GLY 114 0.070 13.413 -12.250 441 1HA GLY 114 1HA GLY 114 1.235 16.080 -11.891 442 2HA GLY 114 2HA GLY 114 0.627 15.964 -13.546 443 H ALA 115 H ALA 115 -1.662 15.131 -13.747 444 HA ALA 115 HA ALA 115 -3.516 16.640 -11.987 445 1HB ALA 115 3HB ALA 115 -3.979 16.469 -14.409 446 2HB ALA 115 1HB ALA 115 -4.168 14.702 -14.291 447 3HB ALA 115 2HB ALA 115 -5.321 15.782 -13.472 448 H GLY 116 H GLY 116 -3.521 13.089 -12.722 449 1HA GLY 116 1HA GLY 116 -3.340 12.182 -9.994 450 2HA GLY 116 2HA GLY 116 -5.067 12.391 -10.284 451 H LYS 117 H LYS 117 -2.173 10.739 -11.412 452 HA LYS 117 HA LYS 117 -3.847 8.321 -12.228 453 1HB LYS 117 1HB LYS 117 -1.540 9.315 -13.987 454 2HB LYS 117 2HB LYS 117 -2.449 7.841 -14.204 455 1HG LYS 117 1HG LYS 117 -3.644 10.674 -14.470 456 2HG LYS 117 2HG LYS 117 -2.986 9.724 -15.790 457 1HD LYS 117 1HD LYS 117 -4.698 7.906 -15.364 458 2HD LYS 117 2HD LYS 117 -5.407 8.889 -14.077 459 1HE LYS 117 1HE LYS 117 -5.966 10.716 -15.707 460 2HE LYS 117 2HE LYS 117 -5.162 9.835 -17.015 461 1HZ LYS 117 2HZ LYS 117 -6.784 8.026 -16.706 462 2HZ LYS 117 3HZ LYS 117 -7.559 8.882 -15.524 463 3HZ LYS 117 1HZ LYS 117 -7.530 9.453 -17.075 464 H TYR 118 H TYR 118 -3.205 7.021 -10.725 465 HA TYR 118 HA TYR 118 -0.531 7.238 -9.371 466 1HB TYR 118 1HB TYR 118 -2.974 5.453 -8.714 467 2HB TYR 118 2HB TYR 118 -1.564 5.628 -7.718 468 HD1 TYR 118 HD2 TYR 118 -4.624 7.330 -8.929 469 HD2 TYR 118 HD1 TYR 118 -1.217 7.724 -6.338 470 HE1 TYR 118 HE2 TYR 118 -5.679 9.259 -7.831 471 HE2 TYR 118 HE1 TYR 118 -2.301 9.624 -5.228 472 HH TYR 118 HH TYR 118 -5.500 10.799 -6.233 473 H PHE 119 H PHE 119 1.125 6.018 -10.023 474 HA PHE 119 HA PHE 119 0.678 3.182 -11.111 475 1HB PHE 119 1HB PHE 119 2.491 3.335 -12.683 476 2HB PHE 119 2HB PHE 119 1.121 4.314 -13.064 477 HD1 PHE 119 HD1 PHE 119 1.236 6.814 -12.970 478 HD2 PHE 119 HD2 PHE 119 4.725 4.396 -12.309 479 HE1 PHE 119 HE1 PHE 119 2.678 8.774 -13.386 480 HE2 PHE 119 HE2 PHE 119 6.157 6.360 -12.741 481 HZ PHE 119 HZ PHE 119 5.137 8.552 -13.267 482 H LEU 120 H LEU 120 1.344 1.945 -9.617 483 HA LEU 120 HA LEU 120 3.889 2.422 -7.978 484 1HB LEU 120 1HB LEU 120 1.703 1.925 -6.819 485 2HB LEU 120 2HB LEU 120 1.615 0.376 -7.628 486 HG LEU 120 HG LEU 120 3.708 1.216 -5.532 487 1HD1 LEU 120 1HD2 LEU 120 1.345 0.875 -4.637 488 2HD1 LEU 120 2HD2 LEU 120 1.344 -0.771 -5.299 489 3HD1 LEU 120 3HD2 LEU 120 2.480 -0.325 -4.013 490 1HD2 LEU 120 1HD1 LEU 120 3.358 -1.513 -6.953 491 2HD2 LEU 120 2HD1 LEU 120 4.842 -0.531 -6.823 492 3HD2 LEU 120 3HD1 LEU 120 4.202 -1.347 -5.403 493 H TRP 121 H TRP 121 2.277 -0.064 -9.978 494 HA TRP 121 HA TRP 121 4.737 -1.853 -9.838 495 1HB TRP 121 1HB TRP 121 2.568 -2.628 -8.947 496 2HB TRP 121 2HB TRP 121 1.775 -2.374 -10.481 497 HD1 TRP 121 HD1 TRP 121 4.465 -4.688 -8.806 498 HE1 TRP 121 HE1 TRP 121 4.257 -7.137 -9.765 499 HE3 TRP 121 HE3 TRP 121 1.057 -3.596 -12.444 500 HZ2 TRP 121 HZ2 TRP 121 2.682 -8.288 -11.864 501 HZ3 TRP 121 HZ3 TRP 121 0.218 -5.422 -13.883 502 HH2 TRP 121 HH2 TRP 121 1.010 -7.731 -13.588 503 H VAL 122 H VAL 122 2.486 -2.112 -12.485 504 HA VAL 122 HA VAL 122 4.619 -1.274 -14.506 505 HB VAL 122 HB VAL 122 3.134 -3.889 -14.638 506 1HG1 VAL 122 2HG1 VAL 122 3.514 -2.993 -16.935 507 2HG1 VAL 122 3HG1 VAL 122 5.243 -2.759 -16.586 508 3HG1 VAL 122 1HG1 VAL 122 4.549 -4.399 -16.657 509 1HG2 VAL 122 3HG2 VAL 122 4.975 -4.097 -12.971 510 2HG2 VAL 122 1HG2 VAL 122 5.381 -5.015 -14.425 511 3HG2 VAL 122 2HG2 VAL 122 6.143 -3.429 -14.134 512 H VAL 123 H VAL 123 1.165 -2.497 -14.424 513 HA VAL 123 HA VAL 123 0.417 -0.687 -16.615 514 HB VAL 123 HB VAL 123 -1.845 -1.529 -16.285 515 1HG1 VAL 123 2HG1 VAL 123 -0.269 -2.751 -17.780 516 2HG1 VAL 123 3HG1 VAL 123 0.164 -3.841 -16.440 517 3HG1 VAL 123 1HG1 VAL 123 -1.497 -3.826 -17.083 518 1HG2 VAL 123 3HG2 VAL 123 -2.059 -1.966 -13.871 519 2HG2 VAL 123 1HG2 VAL 123 -2.448 -3.427 -14.787 520 3HG2 VAL 123 2HG2 VAL 123 -0.876 -3.290 -13.964 521 H LYS 124 H LYS 124 -0.328 1.272 -16.492 522 HA LYS 124 HA LYS 124 -0.289 2.773 -13.929 523 1HB LYS 124 1HB LYS 124 0.724 3.616 -15.987 524 2HB LYS 124 2HB LYS 124 -0.809 3.621 -16.849 525 1HG LYS 124 1HG LYS 124 -1.672 5.480 -15.518 526 2HG LYS 124 2HG LYS 124 -0.352 5.380 -14.355 527 1HD LYS 124 1HD LYS 124 1.315 5.985 -16.092 528 2HD LYS 124 2HD LYS 124 0.066 5.973 -17.348 529 1HE LYS 124 1HE LYS 124 -1.101 7.912 -16.218 530 2HE LYS 124 2HE LYS 124 0.144 7.931 -14.953 531 1HZ LYS 124 1HZ LYS 124 0.640 8.376 -17.859 532 2HZ LYS 124 2HZ LYS 124 0.610 9.544 -16.691 533 3HZ LYS 124 3HZ LYS 124 1.800 8.397 -16.682 534 H PHE 125 H PHE 125 -1.900 3.534 -12.816 535 HA PHE 125 HA PHE 125 -4.752 2.573 -13.450 536 1HB PHE 125 1HB PHE 125 -3.639 3.182 -10.642 537 2HB PHE 125 2HB PHE 125 -5.205 2.554 -11.027 538 HD1 PHE 125 HD2 PHE 125 -5.455 0.171 -11.963 539 HD2 PHE 125 HD1 PHE 125 -1.680 1.664 -10.527 540 HE1 PHE 125 HE2 PHE 125 -4.586 -2.125 -11.810 541 HE2 PHE 125 HE1 PHE 125 -0.836 -0.639 -10.379 542 HZ PHE 125 HZ PHE 125 -2.274 -2.531 -11.018 543 H ASN 126 H ASN 126 -6.490 3.914 -12.944 544 HA ASN 126 HA ASN 126 -6.044 6.854 -13.231 545 1HB ASN 126 1HB ASN 126 -7.909 5.676 -14.397 546 2HB ASN 126 2HB ASN 126 -8.663 5.301 -12.854 547 1HD2 ASN 126 1HD2 ASN 126 -10.593 8.217 -13.826 548 2HD2 ASN 126 2HD2 ASN 126 -10.481 6.387 -13.894 549 H SER 127 H SER 127 -7.544 4.851 -10.639 550 HA SER 127 HA SER 127 -7.039 7.137 -8.651 551 1HB SER 127 1HB SER 127 -9.136 6.544 -7.542 552 2HB SER 127 2HB SER 127 -9.445 6.871 -9.241 553 HG SER 127 HG SER 127 -9.368 4.585 -9.584 554 H LEU 128 H LEU 128 -7.003 6.471 -6.401 555 HA LEU 128 HA LEU 128 -5.083 4.314 -5.772 556 1HB LEU 128 1HB LEU 128 -6.876 5.995 -3.933 557 2HB LEU 128 2HB LEU 128 -5.754 4.809 -3.311 558 HG LEU 128 HG LEU 128 -4.818 7.137 -5.076 559 1HD1 LEU 128 1HD2 LEU 128 -4.957 7.036 -2.004 560 2HD1 LEU 128 2HD2 LEU 128 -4.132 8.297 -2.959 561 3HD1 LEU 128 3HD2 LEU 128 -5.891 8.101 -3.075 562 1HD2 LEU 128 1HD1 LEU 128 -3.253 5.211 -3.226 563 2HD2 LEU 128 2HD1 LEU 128 -3.149 5.307 -4.999 564 3HD2 LEU 128 3HD1 LEU 128 -2.560 6.651 -4.008 565 H ASN 129 H ASN 129 -8.654 4.398 -5.596 566 HA ASN 129 HA ASN 129 -8.922 1.752 -4.399 567 1HB ASN 129 1HB ASN 129 -11.256 1.632 -5.090 568 2HB ASN 129 2HB ASN 129 -10.823 2.996 -4.098 569 1HD2 ASN 129 1HD2 ASN 129 -10.833 5.274 -6.687 570 2HD2 ASN 129 2HD2 ASN 129 -10.987 4.995 -4.924 571 H GLU 130 H GLU 130 -8.622 2.712 -7.821 572 HA GLU 130 HA GLU 130 -8.928 0.003 -8.953 573 1HB GLU 130 1HB GLU 130 -7.475 2.467 -10.079 574 2HB GLU 130 2HB GLU 130 -7.638 0.968 -10.963 575 1HG GLU 130 1HG GLU 130 -10.017 2.691 -10.021 576 2HG GLU 130 2HG GLU 130 -9.305 2.720 -11.624 577 H LEU 131 H LEU 131 -5.985 1.788 -7.954 578 HA LEU 131 HA LEU 131 -4.043 -0.334 -8.431 579 1HB LEU 131 1HB LEU 131 -3.380 1.988 -8.064 580 2HB LEU 131 2HB LEU 131 -4.153 2.043 -6.492 581 HG LEU 131 HG LEU 131 -2.459 0.511 -5.525 582 1HD1 LEU 131 2HD1 LEU 131 -1.785 -0.759 -7.640 583 2HD1 LEU 131 3HD1 LEU 131 -0.903 0.693 -8.185 584 3HD1 LEU 131 1HD1 LEU 131 -0.421 -0.154 -6.696 585 1HD2 LEU 131 3HD2 LEU 131 -2.148 2.985 -5.402 586 2HD2 LEU 131 1HD2 LEU 131 -0.586 2.155 -5.509 587 3HD2 LEU 131 2HD2 LEU 131 -1.255 2.974 -6.943 588 H VAL 132 H VAL 132 -5.974 0.318 -5.495 589 HA VAL 132 HA VAL 132 -5.016 -1.968 -3.916 590 HB VAL 132 HB VAL 132 -7.506 -0.181 -3.743 591 1HG1 VAL 132 1HG2 VAL 132 -6.891 -2.524 -1.849 592 2HG1 VAL 132 2HG2 VAL 132 -8.022 -1.190 -1.479 593 3HG1 VAL 132 3HG2 VAL 132 -8.353 -2.280 -2.826 594 1HG2 VAL 132 2HG1 VAL 132 -5.310 0.825 -3.037 595 2HG2 VAL 132 3HG1 VAL 132 -6.394 0.629 -1.649 596 3HG2 VAL 132 1HG1 VAL 132 -5.050 -0.516 -1.899 597 H ASP 133 H ASP 133 -8.130 -1.680 -5.735 598 HA ASP 133 HA ASP 133 -8.840 -4.387 -5.289 599 1HB ASP 133 1HB ASP 133 -10.665 -4.191 -6.863 600 2HB ASP 133 2HB ASP 133 -10.532 -2.785 -5.840 601 H TYR 134 H TYR 134 -6.765 -3.277 -7.911 602 HA TYR 134 HA TYR 134 -6.735 -5.812 -9.433 603 1HB TYR 134 1HB TYR 134 -6.004 -3.661 -10.423 604 2HB TYR 134 2HB TYR 134 -4.701 -3.506 -9.272 605 HD1 TYR 134 HD1 TYR 134 -5.935 -5.548 -12.186 606 HD2 TYR 134 HD2 TYR 134 -2.598 -4.728 -9.600 607 HE1 TYR 134 HE1 TYR 134 -4.474 -6.893 -13.630 608 HE2 TYR 134 HE2 TYR 134 -1.148 -6.072 -11.043 609 HH TYR 134 HH TYR 134 -1.018 -7.331 -12.882 610 H HIS 135 H HIS 135 -4.408 -4.496 -6.976 611 HA HIS 135 HA HIS 135 -3.066 -7.122 -6.781 612 1HB HIS 135 1HB HIS 135 -2.557 -4.603 -5.111 613 2HB HIS 135 2HB HIS 135 -1.649 -6.096 -4.952 614 HD2 HIS 135 HD2 HIS 135 -0.942 -2.961 -6.395 615 HE1 HIS 135 HE1 HIS 135 0.708 -5.544 -9.196 616 HE2 HIS 135 HE2 HIS 135 0.705 -3.074 -8.465 617 H ARG 136 H ARG 136 -5.916 -6.241 -5.212 618 HA ARG 136 HA ARG 136 -5.860 -7.813 -2.803 619 1HB ARG 136 1HB ARG 136 -7.966 -6.929 -4.755 620 2HB ARG 136 2HB ARG 136 -8.343 -8.499 -4.151 621 1HG ARG 136 1HG ARG 136 -9.479 -6.923 -2.840 622 2HG ARG 136 2HG ARG 136 -8.308 -7.711 -1.796 623 1HD ARG 136 1HD ARG 136 -6.894 -5.724 -1.671 624 2HD ARG 136 2HD ARG 136 -7.607 -5.035 -3.115 625 HE ARG 136 HE ARG 136 -9.273 -3.987 -1.865 626 1HH1 ARG 136 2HH2 ARG 136 -7.991 -6.598 0.177 627 2HH1 ARG 136 1HH2 ARG 136 -8.891 -5.914 1.623 628 1HH2 ARG 136 1HH1 ARG 136 -10.236 -3.302 -0.172 629 2HH2 ARG 136 2HH1 ARG 136 -10.078 -4.172 1.435 630 H SER 137 H SER 137 -5.855 -9.019 -6.115 631 HA SER 137 HA SER 137 -5.556 -11.870 -5.149 632 1HB SER 137 1HB SER 137 -6.714 -10.983 -7.861 633 2HB SER 137 2HB SER 137 -6.312 -12.647 -7.427 634 HG SER 137 HG SER 137 -8.130 -10.971 -6.044 635 H THR 138 H THR 138 -4.180 -9.323 -7.238 636 HA THR 138 HA THR 138 -2.032 -11.189 -8.270 637 HB THR 138 HB THR 138 -2.460 -8.186 -8.838 638 HG1 THR 138 HG1 THR 138 -3.318 -8.971 -10.757 639 1HG2 THR 138 3HG2 THR 138 -0.706 -10.263 -10.315 640 2HG2 THR 138 1HG2 THR 138 -1.102 -8.644 -10.930 641 3HG2 THR 138 2HG2 THR 138 -0.129 -8.807 -9.460 642 H SER 139 H SER 139 0.158 -10.977 -7.806 643 HA SER 139 HA SER 139 0.863 -9.911 -5.120 644 1HB SER 139 1HB SER 139 1.815 -12.063 -5.928 645 2HB SER 139 2HB SER 139 2.737 -11.212 -7.173 646 HG SER 139 HG SER 139 3.703 -9.994 -5.488 647 H VAL 140 H VAL 140 1.495 -7.959 -4.721 648 HA VAL 140 HA VAL 140 2.372 -5.942 -6.712 649 HB VAL 140 HB VAL 140 1.021 -5.325 -4.783 650 1HG1 VAL 140 2HG1 VAL 140 1.939 -6.732 -2.947 651 2HG1 VAL 140 3HG1 VAL 140 3.456 -5.804 -2.955 652 3HG1 VAL 140 1HG1 VAL 140 1.922 -5.019 -2.498 653 1HG2 VAL 140 2HG2 VAL 140 2.382 -3.590 -5.952 654 2HG2 VAL 140 3HG2 VAL 140 2.090 -3.195 -4.249 655 3HG2 VAL 140 1HG2 VAL 140 3.685 -3.796 -4.756 656 H SER 141 H SER 141 4.171 -8.158 -4.611 657 HA SER 141 HA SER 141 6.762 -6.724 -4.860 658 1HB SER 141 1HB SER 141 6.219 -9.584 -3.847 659 2HB SER 141 2HB SER 141 7.728 -8.689 -3.660 660 HG SER 141 HG SER 141 6.413 -8.538 -1.850 661 H ARG 142 H ARG 142 5.468 -9.662 -6.481 662 HA ARG 142 HA ARG 142 6.238 -10.971 -8.244 663 1HB ARG 142 1HB ARG 142 8.231 -8.781 -8.998 664 2HB ARG 142 2HB ARG 142 7.895 -10.203 -9.944 665 1HG ARG 142 1HG ARG 142 5.757 -8.074 -9.300 666 2HG ARG 142 2HG ARG 142 6.828 -8.024 -10.677 667 1HD ARG 142 1HD ARG 142 4.957 -8.929 -11.658 668 2HD ARG 142 2HD ARG 142 5.925 -10.372 -11.384 669 HE ARG 142 HE ARG 142 4.122 -10.005 -9.090 670 1HH1 ARG 142 2HH2 ARG 142 3.956 -10.863 -12.539 671 2HH1 ARG 142 1HH2 ARG 142 2.388 -11.772 -12.254 672 1HH2 ARG 142 1HH1 ARG 142 2.325 -11.074 -8.889 673 2HH2 ARG 142 2HH1 ARG 142 1.533 -11.881 -10.334 674 H ASN 143 H ASN 143 6.904 -11.881 -6.007 675 HA ASN 143 HA ASN 143 9.273 -13.526 -6.515 676 1HB ASN 143 1HB ASN 143 10.502 -11.504 -5.622 677 2HB ASN 143 2HB ASN 143 9.595 -11.576 -4.133 678 1HD2 ASN 143 1HD2 ASN 143 11.963 -13.934 -2.783 679 2HD2 ASN 143 2HD2 ASN 143 10.592 -12.744 -2.520 680 H GLN 144 H GLN 144 7.899 -12.542 -3.365 681 HA GLN 144 HA GLN 144 6.453 -15.234 -3.113 682 1HB GLN 144 1HB GLN 144 7.150 -13.092 -0.996 683 2HB GLN 144 2HB GLN 144 6.116 -14.474 -0.683 684 1HG GLN 144 1HG GLN 144 7.951 -16.075 -1.241 685 2HG GLN 144 2HG GLN 144 9.040 -14.753 -1.619 686 1HE2 GLN 144 2HE2 GLN 144 9.824 -14.166 1.852 687 2HE2 GLN 144 1HE2 GLN 144 10.040 -13.665 0.100 688 H GLN 145 H GLN 145 4.272 -15.153 -2.229 689 HA GLN 145 HA GLN 145 2.580 -13.229 -3.756 690 1HB GLN 145 1HB GLN 145 0.644 -14.522 -3.046 691 2HB GLN 145 2HB GLN 145 1.859 -15.432 -3.912 692 1HG GLN 145 1HG GLN 145 2.609 -16.530 -1.775 693 2HG GLN 145 2HG GLN 145 1.464 -15.585 -0.844 694 1HE2 GLN 145 2HE2 GLN 145 -1.312 -17.723 -1.716 695 2HE2 GLN 145 1HE2 GLN 145 -0.748 -16.171 -0.916 696 H ILE 146 H ILE 146 2.647 -11.242 -2.930 697 HA ILE 146 HA ILE 146 1.656 -10.746 -0.058 698 HB ILE 146 HB ILE 146 3.012 -8.774 -1.938 699 1HG1 ILE 146 1HG1 ILE 146 4.777 -8.496 -0.225 700 2HG1 ILE 146 2HG1 ILE 146 4.020 -9.654 0.838 701 1HG2 ILE 146 2HG2 ILE 146 1.261 -7.603 -0.577 702 2HG2 ILE 146 3HG2 ILE 146 1.918 -8.301 0.917 703 3HG2 ILE 146 1HG2 ILE 146 2.865 -7.121 -0.022 704 1HD1 ILE 146 3HD1 ILE 146 5.259 -10.403 -1.878 705 2HD1 ILE 146 1HD1 ILE 146 6.108 -10.481 -0.317 706 3HD1 ILE 146 2HD1 ILE 146 4.716 -11.534 -0.608 707 H PHE 147 H PHE 147 -0.365 -10.953 -0.259 708 HA PHE 147 HA PHE 147 -2.015 -9.724 -2.570 709 1HB PHE 147 1HB PHE 147 -2.787 -12.112 -0.806 710 2HB PHE 147 2HB PHE 147 -3.837 -11.343 -1.968 711 HD1 PHE 147 HD1 PHE 147 -1.031 -11.236 -4.013 712 HD2 PHE 147 HD2 PHE 147 -3.552 -14.144 -2.066 713 HE1 PHE 147 HE1 PHE 147 -0.428 -12.905 -5.695 714 HE2 PHE 147 HE2 PHE 147 -2.947 -15.787 -3.784 715 HZ PHE 147 HZ PHE 147 -1.379 -15.179 -5.593 716 H LEU 148 H LEU 148 -3.220 -8.093 -2.038 717 HA LEU 148 HA LEU 148 -3.017 -6.877 0.583 718 1HB LEU 148 1HB LEU 148 -4.379 -6.104 -2.041 719 2HB LEU 148 2HB LEU 148 -4.798 -5.224 -0.614 720 HG LEU 148 HG LEU 148 -2.442 -4.580 -0.177 721 1HD1 LEU 148 1HD2 LEU 148 -1.769 -6.040 -2.804 722 2HD1 LEU 148 2HD2 LEU 148 -0.689 -4.872 -1.999 723 3HD1 LEU 148 3HD2 LEU 148 -1.118 -6.390 -1.195 724 1HD2 LEU 148 2HD1 LEU 148 -3.947 -3.079 -1.480 725 2HD2 LEU 148 3HD1 LEU 148 -2.279 -2.933 -2.061 726 3HD2 LEU 148 1HD1 LEU 148 -3.469 -3.867 -3.002 727 H ARG 149 H ARG 149 -4.122 -7.101 2.302 728 HA ARG 149 HA ARG 149 -7.080 -7.921 2.343 729 1HB ARG 149 1HB ARG 149 -5.028 -8.764 4.484 730 2HB ARG 149 2HB ARG 149 -6.699 -9.268 4.358 731 1HG ARG 149 1HG ARG 149 -4.363 -10.084 2.551 732 2HG ARG 149 2HG ARG 149 -5.128 -11.066 3.778 733 1HD ARG 149 1HD ARG 149 -7.233 -11.253 2.449 734 2HD ARG 149 2HD ARG 149 -6.638 -10.097 1.271 735 HE ARG 149 HE ARG 149 -5.177 -11.719 0.276 736 1HH1 ARG 149 2HH2 ARG 149 -6.640 -13.110 3.203 737 2HH1 ARG 149 1HH2 ARG 149 -6.064 -14.781 2.711 738 1HH2 ARG 149 1HH1 ARG 149 -4.573 -13.660 -0.184 739 2HH2 ARG 149 2HH1 ARG 149 -4.973 -15.068 0.924 740 H ASP 150 H ASP 150 -8.276 -7.045 4.147 741 HA ASP 150 HA ASP 150 -7.459 -4.284 4.834 742 1HB ASP 150 1HB ASP 150 -9.931 -5.897 5.729 743 2HB ASP 150 2HB ASP 150 -9.661 -4.221 6.155 744 H ILE 151 H ILE 151 -7.080 -3.321 6.764 745 HA ILE 151 HA ILE 151 -5.532 -4.839 8.752 746 HB ILE 151 HB ILE 151 -5.263 -2.721 10.006 747 1HG1 ILE 151 1HG1 ILE 151 -7.406 -1.553 9.469 748 2HG1 ILE 151 2HG1 ILE 151 -5.946 -0.596 9.456 749 1HG2 ILE 151 3HG2 ILE 151 -4.432 -2.652 7.087 750 2HG2 ILE 151 1HG2 ILE 151 -3.794 -1.561 8.344 751 3HG2 ILE 151 2HG2 ILE 151 -3.538 -3.307 8.473 752 1HD1 ILE 151 2HD1 ILE 151 -5.934 -0.558 6.932 753 2HD1 ILE 151 3HD1 ILE 151 -7.440 -1.516 6.914 754 3HD1 ILE 151 1HD1 ILE 151 -7.420 0.105 7.634 755 H GLU 152 H GLU 152 -5.754 -4.693 11.054 756 HA GLU 152 HA GLU 152 -8.537 -5.603 11.897 757 1HB GLU 152 1HB GLU 152 -6.547 -7.121 12.219 758 2HB GLU 152 2HB GLU 152 -5.833 -5.959 13.329 759 1HG GLU 152 1HG GLU 152 -7.784 -6.248 14.904 760 2HG GLU 152 2HG GLU 152 -8.561 -7.342 13.761 761 HXT GLU 152 HO OH 153 -5.912 -3.921 13.422 No H/Q in entry = 761 Start of MODEL 10 1 1H GLY 58 1H GLY 58 -12.532 -1.646 8.187 2 2H GLY 58 2H GLY 58 -11.959 -2.579 6.973 3 1HA GLY 58 1HA GLY 58 -10.348 -1.635 9.283 4 2HA GLY 58 2HA GLY 58 -9.736 -2.612 7.955 5 H SER 59 H SER 59 -10.040 0.483 9.029 6 HA SER 59 HA SER 59 -10.392 1.931 6.445 7 1HB SER 59 1HB SER 59 -10.031 3.991 7.720 8 2HB SER 59 2HB SER 59 -11.236 2.958 8.480 9 HG SER 59 HG SER 59 -8.500 3.176 9.220 10 H TRP 60 H TRP 60 -8.873 1.620 4.993 11 HA TRP 60 HA TRP 60 -6.005 1.331 5.625 12 1HB TRP 60 1HB TRP 60 -5.586 1.253 3.140 13 2HB TRP 60 2HB TRP 60 -6.451 -0.023 3.925 14 HD1 TRP 60 HD1 TRP 60 -8.799 -0.714 3.074 15 HE1 TRP 60 HE1 TRP 60 -10.292 -0.169 0.957 16 HE3 TRP 60 HE3 TRP 60 -6.300 3.505 1.697 17 HZ2 TRP 60 HZ2 TRP 60 -10.196 1.926 -1.018 18 HZ3 TRP 60 HZ3 TRP 60 -7.063 4.762 -0.274 19 HH2 TRP 60 HH2 TRP 60 -8.999 3.999 -1.594 20 H PHE 61 H PHE 61 -7.773 4.103 4.105 21 HA PHE 61 HA PHE 61 -5.162 5.582 3.952 22 1HB PHE 61 1HB PHE 61 -6.888 5.861 2.128 23 2HB PHE 61 2HB PHE 61 -7.934 6.705 3.247 24 HD1 PHE 61 HD1 PHE 61 -4.380 6.746 1.917 25 HD2 PHE 61 HD2 PHE 61 -7.610 9.130 3.457 26 HE1 PHE 61 HE1 PHE 61 -3.021 8.765 1.648 27 HE2 PHE 61 HE2 PHE 61 -6.254 11.158 3.127 28 HZ PHE 61 HZ PHE 61 -3.954 10.983 2.236 29 H PHE 62 H PHE 62 -4.453 7.051 5.290 30 HA PHE 62 HA PHE 62 -6.131 7.926 7.722 31 1HB PHE 62 1HB PHE 62 -3.147 7.296 7.658 32 2HB PHE 62 2HB PHE 62 -3.900 8.212 8.932 33 HD1 PHE 62 HD1 PHE 62 -3.706 4.815 7.402 34 HD2 PHE 62 HD2 PHE 62 -5.466 7.150 10.556 35 HE1 PHE 62 HE1 PHE 62 -4.488 2.753 8.512 36 HE2 PHE 62 HE2 PHE 62 -6.218 5.081 11.655 37 HZ PHE 62 HZ PHE 62 -5.737 2.884 10.632 38 H GLY 63 H GLY 63 -3.038 9.330 6.667 39 1HA GLY 63 1HA GLY 63 -3.720 11.406 4.937 40 2HA GLY 63 2HA GLY 63 -4.405 12.035 6.432 41 H LYS 64 H LYS 64 -1.434 11.006 4.890 42 HA LYS 64 HA LYS 64 0.820 11.419 5.250 43 1HB LYS 64 1HB LYS 64 -0.053 14.062 6.516 44 2HB LYS 64 2HB LYS 64 1.590 13.640 6.062 45 1HG LYS 64 1HG LYS 64 0.884 13.400 3.636 46 2HG LYS 64 2HG LYS 64 -0.761 13.815 4.092 47 1HD LYS 64 1HD LYS 64 0.096 15.822 3.234 48 2HD LYS 64 2HD LYS 64 0.093 16.073 4.976 49 1HE LYS 64 1HE LYS 64 2.616 15.503 4.997 50 2HE LYS 64 2HE LYS 64 2.547 15.316 3.236 51 1HZ LYS 64 2HZ LYS 64 1.852 17.646 3.075 52 2HZ LYS 64 3HZ LYS 64 1.909 17.821 4.716 53 3HZ LYS 64 1HZ LYS 64 3.295 17.522 3.869 54 H ILE 65 H ILE 65 0.307 9.488 6.778 55 HA ILE 65 HA ILE 65 0.971 9.952 9.611 56 HB ILE 65 HB ILE 65 -0.677 8.305 8.750 57 1HG1 ILE 65 1HG1 ILE 65 1.505 6.903 10.384 58 2HG1 ILE 65 2HG1 ILE 65 0.378 8.099 11.020 59 1HG2 ILE 65 1HG2 ILE 65 0.533 7.448 6.706 60 2HG2 ILE 65 2HG2 ILE 65 1.646 6.531 7.750 61 3HG2 ILE 65 3HG2 ILE 65 -0.095 6.155 7.717 62 1HD1 ILE 65 2HD1 ILE 65 -1.586 6.661 10.342 63 2HD1 ILE 65 3HD1 ILE 65 -0.448 5.394 9.812 64 3HD1 ILE 65 1HD1 ILE 65 -0.499 5.878 11.525 65 HA PRO 66 HA PRO 66 5.517 9.479 8.857 66 1HB PRO 66 1HB PRO 66 6.449 8.936 11.437 67 2HB PRO 66 2HB PRO 66 5.957 10.529 10.844 68 1HG PRO 66 1HG PRO 66 4.320 8.571 12.501 69 2HG PRO 66 2HG PRO 66 4.499 10.320 12.742 70 1HD PRO 66 1HD PRO 66 2.300 9.222 11.474 71 2HD PRO 66 2HD PRO 66 2.929 10.824 10.992 72 H ARG 67 H ARG 67 7.092 7.898 8.642 73 HA ARG 67 HA ARG 67 6.200 5.283 7.880 74 1HB ARG 67 1HB ARG 67 8.268 6.596 7.081 75 2HB ARG 67 2HB ARG 67 9.113 6.050 8.513 76 1HG ARG 67 1HG ARG 67 8.654 3.616 7.750 77 2HG ARG 67 2HG ARG 67 7.948 4.271 6.272 78 1HD ARG 67 1HD ARG 67 10.149 5.364 5.677 79 2HD ARG 67 2HD ARG 67 10.839 4.833 7.202 80 HE ARG 67 HE ARG 67 10.905 2.509 6.469 81 1HH1 ARG 67 2HH2 ARG 67 9.679 4.627 3.887 82 2HH1 ARG 67 1HH2 ARG 67 10.041 3.329 2.641 83 1HH2 ARG 67 1HH1 ARG 67 11.273 1.118 4.975 84 2HH2 ARG 67 2HH1 ARG 67 10.883 1.477 3.219 85 H ALA 68 H ALA 68 7.814 6.155 10.891 86 HA ALA 68 HA ALA 68 8.172 3.390 11.935 87 1HB ALA 68 2HB ALA 68 9.638 5.220 12.751 88 2HB ALA 68 3HB ALA 68 8.244 6.057 13.483 89 3HB ALA 68 1HB ALA 68 8.764 4.470 14.100 90 H LYS 69 H LYS 69 5.691 5.932 12.634 91 HA LYS 69 HA LYS 69 4.017 4.237 14.345 92 1HB LYS 69 1HB LYS 69 3.890 6.779 14.151 93 2HB LYS 69 2HB LYS 69 3.120 6.593 12.578 94 1HG LYS 69 1HG LYS 69 1.203 5.346 13.705 95 2HG LYS 69 2HG LYS 69 1.998 5.561 15.266 96 1HD LYS 69 1HD LYS 69 1.870 8.069 14.983 97 2HD LYS 69 2HD LYS 69 1.095 7.881 13.418 98 1HE LYS 69 1HE LYS 69 -0.091 6.876 16.100 99 2HE LYS 69 2HE LYS 69 -0.478 8.420 15.346 100 1HZ LYS 69 1HZ LYS 69 -1.373 7.220 13.424 101 2HZ LYS 69 2HZ LYS 69 -1.021 5.763 14.120 102 3HZ LYS 69 3HZ LYS 69 -2.139 6.762 14.815 103 H ALA 70 H ALA 70 4.148 4.501 10.811 104 HA ALA 70 HA ALA 70 1.749 2.805 10.291 105 1HB ALA 70 2HB ALA 70 2.597 4.345 8.521 106 2HB ALA 70 3HB ALA 70 4.138 3.458 8.436 107 3HB ALA 70 1HB ALA 70 2.623 2.669 7.938 108 H GLU 71 H GLU 71 5.249 2.084 10.509 109 HA GLU 71 HA GLU 71 5.016 -0.817 10.073 110 1HB GLU 71 1HB GLU 71 7.194 0.841 11.496 111 2HB GLU 71 2HB GLU 71 7.333 -0.886 11.209 112 1HG GLU 71 1HG GLU 71 7.276 -0.594 8.752 113 2HG GLU 71 2HG GLU 71 6.948 1.124 8.909 114 H GLU 72 H GLU 72 5.114 1.054 13.181 115 HA GLU 72 HA GLU 72 4.862 -1.355 14.834 116 1HB GLU 72 1HB GLU 72 4.642 1.633 15.504 117 2HB GLU 72 2HB GLU 72 4.223 0.414 16.679 118 1HG GLU 72 1HG GLU 72 6.425 0.934 17.216 119 2HG GLU 72 2HG GLU 72 6.507 -0.652 16.483 120 H MET 73 H MET 73 2.354 0.910 13.620 121 HA MET 73 HA MET 73 0.122 -0.367 15.110 122 1HB MET 73 1HB MET 73 0.092 1.435 12.615 123 2HB MET 73 2HB MET 73 -1.361 0.803 13.361 124 1HG MET 73 1HG MET 73 0.635 2.665 14.794 125 2HG MET 73 2HG MET 73 -0.918 3.122 14.094 126 1HE MET 73 2HE MET 73 0.601 2.747 17.364 127 2HE MET 73 1HE MET 73 -0.282 1.493 18.285 128 3HE MET 73 3HE MET 73 0.863 1.014 16.998 129 H LEU 74 H LEU 74 1.358 -0.839 11.762 130 HA LEU 74 HA LEU 74 -0.463 -3.092 11.156 131 1HB LEU 74 1HB LEU 74 2.225 -2.310 9.884 132 2HB LEU 74 2HB LEU 74 1.212 -3.605 9.285 133 HG LEU 74 HG LEU 74 0.405 -0.638 9.392 134 1HD1 LEU 74 3HD1 LEU 74 1.172 -2.440 7.008 135 2HD1 LEU 74 1HD1 LEU 74 0.564 -0.772 6.898 136 3HD1 LEU 74 2HD1 LEU 74 2.119 -1.083 7.677 137 1HD2 LEU 74 2HD2 LEU 74 -1.220 -3.040 8.347 138 2HD2 LEU 74 3HD2 LEU 74 -1.671 -1.912 9.641 139 3HD2 LEU 74 1HD2 LEU 74 -1.590 -1.337 7.973 140 H SER 75 H SER 75 2.705 -3.054 12.772 141 HA SER 75 HA SER 75 3.176 -5.930 12.806 142 1HB SER 75 1HB SER 75 4.879 -4.208 13.452 143 2HB SER 75 2HB SER 75 3.981 -3.854 14.933 144 HG SER 75 HG SER 75 5.653 -5.347 15.222 145 H LYS 76 H LYS 76 0.936 -4.012 14.772 146 HA LYS 76 HA LYS 76 0.250 -6.090 16.753 147 1HB LYS 76 1HB LYS 76 -1.629 -3.873 15.757 148 2HB LYS 76 2HB LYS 76 -1.774 -4.788 17.241 149 1HG LYS 76 1HG LYS 76 0.349 -2.674 16.582 150 2HG LYS 76 2HG LYS 76 -1.025 -2.493 17.653 151 1HD LYS 76 1HD LYS 76 -0.059 -4.197 19.240 152 2HD LYS 76 2HD LYS 76 1.320 -4.436 18.158 153 1HE LYS 76 1HE LYS 76 1.973 -1.996 18.424 154 2HE LYS 76 2HE LYS 76 0.604 -1.749 19.519 155 1HZ LYS 76 3HZ LYS 76 1.581 -3.412 21.018 156 2HZ LYS 76 1HZ LYS 76 2.858 -3.641 19.995 157 3HZ LYS 76 2HZ LYS 76 2.646 -2.180 20.736 158 H GLN 77 H GLN 77 -0.974 -5.477 13.458 159 HA GLN 77 HA GLN 77 -3.374 -7.082 13.665 160 1HB GLN 77 1HB GLN 77 -1.838 -5.803 11.340 161 2HB GLN 77 2HB GLN 77 -2.981 -7.057 10.956 162 1HG GLN 77 1HG GLN 77 -4.144 -5.032 10.719 163 2HG GLN 77 2HG GLN 77 -4.833 -5.918 12.055 164 1HE2 GLN 77 2HE2 GLN 77 -3.518 -2.144 12.723 165 2HE2 GLN 77 1HE2 GLN 77 -3.298 -2.981 11.107 166 H ARG 78 H ARG 78 -3.698 -9.000 13.497 167 HA ARG 78 HA ARG 78 -1.775 -11.206 13.103 168 1HB ARG 78 1HB ARG 78 -3.601 -12.721 13.474 169 2HB ARG 78 2HB ARG 78 -3.670 -11.442 14.643 170 1HG ARG 78 1HG ARG 78 -5.497 -11.630 12.147 171 2HG ARG 78 2HG ARG 78 -5.902 -12.283 13.713 172 1HD ARG 78 1HD ARG 78 -5.579 -9.302 13.035 173 2HD ARG 78 2HD ARG 78 -7.075 -10.156 13.272 174 HE ARG 78 HE ARG 78 -5.221 -9.173 15.420 175 1HH1 ARG 78 2HH2 ARG 78 -7.979 -11.326 14.772 176 2HH1 ARG 78 1HH2 ARG 78 -8.454 -11.268 16.543 177 1HH2 ARG 78 1HH1 ARG 78 -5.854 -9.181 17.403 178 2HH2 ARG 78 2HH1 ARG 78 -7.330 -10.135 17.930 179 H HIS 79 H HIS 79 -3.543 -9.533 10.637 180 HA HIS 79 HA HIS 79 -3.927 -11.874 8.895 181 1HB HIS 79 1HB HIS 79 -4.257 -8.918 8.102 182 2HB HIS 79 2HB HIS 79 -4.866 -10.308 7.247 183 HD2 HIS 79 HD2 HIS 79 -6.743 -11.903 8.733 184 HE1 HIS 79 HE1 HIS 79 -7.952 -8.813 11.215 185 HE2 HIS 79 HE2 HIS 79 -8.620 -11.165 10.458 186 H ASP 80 H ASP 80 -2.855 -12.542 7.201 187 HA ASP 80 HA ASP 80 -0.130 -11.483 6.440 188 1HB ASP 80 1HB ASP 80 -0.549 -13.930 6.729 189 2HB ASP 80 2HB ASP 80 -1.812 -13.911 5.510 190 H GLY 81 H GLY 81 -0.241 -9.666 5.286 191 1HA GLY 81 1HA GLY 81 -0.874 -8.601 3.055 192 2HA GLY 81 2HA GLY 81 -2.513 -9.185 3.288 193 H ALA 82 H ALA 82 -1.449 -8.052 6.319 194 HA ALA 82 HA ALA 82 -3.607 -6.119 6.370 195 1HB ALA 82 2HB ALA 82 -2.843 -7.279 8.429 196 2HB ALA 82 3HB ALA 82 -1.315 -6.373 8.415 197 3HB ALA 82 1HB ALA 82 -2.859 -5.528 8.662 198 H PHE 83 H PHE 83 -3.662 -4.170 5.423 199 HA PHE 83 HA PHE 83 -1.068 -2.556 5.184 200 1HB PHE 83 1HB PHE 83 -1.393 -2.182 2.909 201 2HB PHE 83 2HB PHE 83 -1.648 -3.856 3.143 202 HD1 PHE 83 HD2 PHE 83 -4.100 -4.791 3.090 203 HD2 PHE 83 HD1 PHE 83 -3.202 -0.741 2.035 204 HE1 PHE 83 HE2 PHE 83 -6.408 -4.492 2.289 205 HE2 PHE 83 HE1 PHE 83 -5.490 -0.469 1.153 206 HZ PHE 83 HZ PHE 83 -7.113 -2.319 1.350 207 H LEU 84 H LEU 84 -1.064 -0.453 4.791 208 HA LEU 84 HA LEU 84 -3.557 1.184 4.845 209 1HB LEU 84 1HB LEU 84 -3.032 2.693 6.610 210 2HB LEU 84 2HB LEU 84 -3.060 1.074 7.219 211 HG LEU 84 HG LEU 84 -0.364 1.249 6.980 212 1HD1 LEU 84 2HD1 LEU 84 -1.201 4.220 7.187 213 2HD1 LEU 84 3HD1 LEU 84 0.435 3.607 7.516 214 3HD1 LEU 84 1HD1 LEU 84 -0.231 3.499 5.887 215 1HD2 LEU 84 3HD2 LEU 84 -1.637 0.927 9.135 216 2HD2 LEU 84 1HD2 LEU 84 -0.243 1.999 9.338 217 3HD2 LEU 84 2HD2 LEU 84 -1.885 2.684 9.255 218 H ILE 85 H ILE 85 -3.395 2.937 3.552 219 HA ILE 85 HA ILE 85 -0.869 3.298 1.902 220 HB ILE 85 HB ILE 85 -3.691 4.486 1.623 221 1HG1 ILE 85 1HG1 ILE 85 -3.494 3.539 -0.734 222 2HG1 ILE 85 2HG1 ILE 85 -1.947 2.819 -0.315 223 1HG2 ILE 85 3HG2 ILE 85 -1.219 5.346 -0.014 224 2HG2 ILE 85 1HG2 ILE 85 -2.913 5.757 -0.398 225 3HG2 ILE 85 2HG2 ILE 85 -2.173 6.377 1.071 226 1HD1 ILE 85 1HD1 ILE 85 -4.643 2.105 1.026 227 2HD1 ILE 85 2HD1 ILE 85 -3.873 1.199 -0.294 228 3HD1 ILE 85 3HD1 ILE 85 -3.092 1.292 1.295 229 H ARG 86 H ARG 86 0.601 4.566 2.621 230 HA ARG 86 HA ARG 86 0.148 6.892 4.544 231 1HB ARG 86 1HB ARG 86 1.881 5.313 5.193 232 2HB ARG 86 2HB ARG 86 2.654 5.354 3.611 233 1HG ARG 86 1HG ARG 86 3.376 7.722 3.973 234 2HG ARG 86 2HG ARG 86 2.509 7.763 5.490 235 1HD ARG 86 1HD ARG 86 4.812 7.401 6.099 236 2HD ARG 86 2HD ARG 86 4.027 5.863 6.360 237 HE ARG 86 HE ARG 86 5.278 4.878 4.528 238 1HH1 ARG 86 2HH2 ARG 86 5.863 8.387 4.613 239 2HH1 ARG 86 1HH2 ARG 86 7.283 8.189 3.467 240 1HH2 ARG 86 1HH1 ARG 86 6.911 4.778 3.230 241 2HH2 ARG 86 2HH1 ARG 86 7.832 6.287 2.740 242 H GLU 87 H GLU 87 -0.048 8.868 3.673 243 HA GLU 87 HA GLU 87 0.763 9.500 0.836 244 1HB GLU 87 1HB GLU 87 -1.339 10.440 1.853 245 2HB GLU 87 2HB GLU 87 -0.380 11.388 2.979 246 1HG GLU 87 1HG GLU 87 0.688 12.611 1.024 247 2HG GLU 87 2HG GLU 87 -0.221 11.616 -0.106 248 H SER 88 H SER 88 2.640 10.446 0.274 249 HA SER 88 HA SER 88 4.895 10.445 2.133 250 1HB SER 88 1HB SER 88 4.790 11.553 -0.744 251 2HB SER 88 2HB SER 88 6.256 11.286 0.197 252 HG SER 88 HG SER 88 4.330 9.318 -0.481 253 H GLU 89 H GLU 89 5.983 12.022 3.109 254 HA GLU 89 HA GLU 89 4.543 14.387 3.921 255 1HB GLU 89 1HB GLU 89 6.190 12.995 5.279 256 2HB GLU 89 2HB GLU 89 7.509 13.835 4.496 257 1HG GLU 89 1HG GLU 89 5.268 15.175 6.173 258 2HG GLU 89 2HG GLU 89 6.805 14.643 6.824 259 H SER 90 H SER 90 7.698 14.359 2.162 260 HA SER 90 HA SER 90 7.644 17.203 1.487 261 1HB SER 90 1HB SER 90 9.532 16.749 -0.013 262 2HB SER 90 2HB SER 90 9.752 15.949 1.538 263 HG SER 90 HG SER 90 10.238 14.614 -0.222 264 H ALA 91 H ALA 91 6.274 14.458 -0.299 265 HA ALA 91 HA ALA 91 5.185 16.434 -2.403 266 1HB ALA 91 3HB ALA 91 6.077 13.536 -2.921 267 2HB ALA 91 1HB ALA 91 5.266 14.610 -4.085 268 3HB ALA 91 2HB ALA 91 6.885 15.020 -3.482 269 HA PRO 92 HA PRO 92 1.425 14.607 -0.285 270 1HB PRO 92 1HB PRO 92 0.236 17.118 -1.565 271 2HB PRO 92 2HB PRO 92 -0.111 16.418 0.031 272 1HG PRO 92 1HG PRO 92 1.544 18.566 -0.151 273 2HG PRO 92 2HG PRO 92 1.983 17.229 0.939 274 1HD PRO 92 1HD PRO 92 3.079 17.785 -1.878 275 2HD PRO 92 2HD PRO 92 3.960 17.331 -0.386 276 H GLY 93 H GLY 93 1.807 15.496 -3.569 277 1HA GLY 93 1HA GLY 93 -0.485 13.681 -4.538 278 2HA GLY 93 2HA GLY 93 0.473 14.720 -5.570 279 H ASP 94 H ASP 94 1.617 12.423 -3.113 280 HA ASP 94 HA ASP 94 2.443 10.343 -5.122 281 1HB ASP 94 1HB ASP 94 4.391 12.065 -5.017 282 2HB ASP 94 2HB ASP 94 4.606 11.656 -3.326 283 H PHE 95 H PHE 95 1.993 8.482 -4.165 284 HA PHE 95 HA PHE 95 1.605 8.328 -1.136 285 1HB PHE 95 1HB PHE 95 0.244 6.796 -3.448 286 2HB PHE 95 2HB PHE 95 -0.028 6.479 -1.764 287 HD1 PHE 95 HD2 PHE 95 -1.153 8.253 -0.263 288 HD2 PHE 95 HD1 PHE 95 -0.762 8.803 -4.509 289 HE1 PHE 95 HE2 PHE 95 -2.796 10.092 -0.198 290 HE2 PHE 95 HE1 PHE 95 -2.408 10.641 -4.410 291 HZ PHE 95 HZ PHE 95 -3.425 11.277 -2.257 292 H SER 96 H SER 96 1.813 6.208 -0.199 293 HA SER 96 HA SER 96 3.938 4.363 -1.362 294 1HB SER 96 1HB SER 96 4.261 5.773 1.374 295 2HB SER 96 2HB SER 96 5.221 4.395 0.824 296 HG SER 96 HG SER 96 5.857 5.637 -0.975 297 H LEU 97 H LEU 97 2.866 2.514 -1.295 298 HA LEU 97 HA LEU 97 0.678 1.850 0.646 299 1HB LEU 97 1HB LEU 97 0.553 1.215 -1.721 300 2HB LEU 97 2HB LEU 97 2.034 0.274 -1.614 301 HG LEU 97 HG LEU 97 0.843 -1.226 0.103 302 1HD1 LEU 97 1HD1 LEU 97 -1.050 0.218 0.773 303 2HD1 LEU 97 2HD1 LEU 97 -1.701 0.192 -0.889 304 3HD1 LEU 97 3HD1 LEU 97 -1.654 -1.300 0.084 305 1HD2 LEU 97 3HD2 LEU 97 1.211 -1.905 -2.292 306 2HD2 LEU 97 1HD2 LEU 97 -0.306 -2.573 -1.662 307 3HD2 LEU 97 2HD2 LEU 97 -0.340 -1.166 -2.756 308 H SER 98 H SER 98 1.272 1.462 2.576 309 HA SER 98 HA SER 98 3.778 -0.068 3.457 310 1HB SER 98 1HB SER 98 1.686 1.122 5.311 311 2HB SER 98 2HB SER 98 3.357 0.712 5.666 312 HG SER 98 HG SER 98 3.979 2.370 4.222 313 H VAL 99 H VAL 99 3.332 -2.214 2.964 314 HA VAL 99 HA VAL 99 0.696 -3.475 3.933 315 HB VAL 99 HB VAL 99 0.496 -3.290 1.599 316 1HG1 VAL 99 2HG2 VAL 99 2.840 -3.142 0.779 317 2HG1 VAL 99 3HG2 VAL 99 3.105 -4.865 1.142 318 3HG1 VAL 99 1HG2 VAL 99 1.932 -4.378 -0.107 319 1HG2 VAL 99 2HG1 VAL 99 -0.342 -5.433 2.733 320 2HG2 VAL 99 3HG1 VAL 99 -0.036 -5.607 0.995 321 3HG2 VAL 99 1HG1 VAL 99 1.113 -6.249 2.197 322 H LYS 100 H LYS 100 0.992 -4.865 5.388 323 HA LYS 100 HA LYS 100 3.601 -6.203 6.044 324 1HB LYS 100 1HB LYS 100 2.017 -5.440 7.842 325 2HB LYS 100 2HB LYS 100 0.852 -6.656 7.334 326 1HG LYS 100 1HG LYS 100 2.482 -8.482 7.894 327 2HG LYS 100 2HG LYS 100 3.726 -7.294 8.284 328 1HD LYS 100 1HD LYS 100 2.386 -6.446 10.195 329 2HD LYS 100 2HD LYS 100 1.031 -7.509 9.776 330 1HE LYS 100 1HE LYS 100 2.517 -9.538 10.155 331 2HE LYS 100 2HE LYS 100 3.861 -8.470 10.590 332 1HZ LYS 100 1HZ LYS 100 1.270 -8.641 12.046 333 2HZ LYS 100 2HZ LYS 100 2.705 -9.295 12.539 334 3HZ LYS 100 3HZ LYS 100 2.530 -7.654 12.457 335 H PHE 101 H PHE 101 4.146 -8.327 5.656 336 HA PHE 101 HA PHE 101 2.061 -10.301 4.846 337 1HB PHE 101 1HB PHE 101 2.951 -9.148 2.633 338 2HB PHE 101 2HB PHE 101 4.416 -10.045 2.869 339 HD1 PHE 101 HD2 PHE 101 0.705 -10.331 2.340 340 HD2 PHE 101 HD1 PHE 101 4.423 -12.499 2.378 341 HE1 PHE 101 HE2 PHE 101 -0.392 -12.243 1.256 342 HE2 PHE 101 HE1 PHE 101 3.303 -14.410 1.305 343 HZ PHE 101 HZ PHE 101 0.902 -14.282 0.729 344 H GLY 102 H GLY 102 2.457 -11.686 6.386 345 1HA GLY 102 1HA GLY 102 3.619 -13.529 7.470 346 2HA GLY 102 2HA GLY 102 5.139 -13.064 6.724 347 H ASN 103 H ASN 103 6.493 -11.812 7.913 348 HA ASN 103 HA ASN 103 5.481 -10.065 10.181 349 1HB ASN 103 1HB ASN 103 7.765 -12.089 10.640 350 2HB ASN 103 2HB ASN 103 7.410 -10.735 11.688 351 1HD2 ASN 103 1HD2 ASN 103 5.277 -14.080 12.335 352 2HD2 ASN 103 2HD2 ASN 103 6.702 -13.979 11.185 353 H ASP 104 H ASP 104 5.859 -8.946 7.977 354 HA ASP 104 HA ASP 104 8.205 -7.191 8.360 355 1HB ASP 104 1HB ASP 104 9.177 -7.340 6.071 356 2HB ASP 104 2HB ASP 104 9.526 -8.688 7.127 357 H VAL 105 H VAL 105 7.742 -5.234 7.727 358 HA VAL 105 HA VAL 105 5.126 -4.719 6.206 359 HB VAL 105 HB VAL 105 6.596 -2.799 8.058 360 1HG1 VAL 105 3HG2 VAL 105 5.254 -1.644 6.208 361 2HG1 VAL 105 1HG2 VAL 105 3.811 -2.536 6.699 362 3HG1 VAL 105 2HG2 VAL 105 4.550 -1.344 7.803 363 1HG2 VAL 105 1HG1 VAL 105 3.965 -4.349 8.565 364 2HG2 VAL 105 2HG1 VAL 105 5.505 -4.603 9.416 365 3HG2 VAL 105 3HG1 VAL 105 4.630 -3.079 9.617 366 H GLN 106 H GLN 106 5.550 -4.555 4.171 367 HA GLN 106 HA GLN 106 8.161 -3.420 3.097 368 1HB GLN 106 1HB GLN 106 5.947 -5.100 1.775 369 2HB GLN 106 2HB GLN 106 7.267 -4.361 0.873 370 1HG GLN 106 1HG GLN 106 8.981 -5.580 2.140 371 2HG GLN 106 2HG GLN 106 7.774 -6.274 3.211 372 1HE2 GLN 106 2HE2 GLN 106 8.284 -7.978 -0.505 373 2HE2 GLN 106 1HE2 GLN 106 9.117 -6.414 -0.029 374 H HIS 107 H HIS 107 8.200 -1.424 2.514 375 HA HIS 107 HA HIS 107 5.695 0.197 1.943 376 1HB HIS 107 1HB HIS 107 8.585 0.861 2.783 377 2HB HIS 107 2HB HIS 107 7.554 2.067 2.111 378 HD2 HIS 107 HD2 HIS 107 7.136 -0.578 5.025 379 HE1 HIS 107 HE1 HIS 107 5.249 2.880 6.241 380 HE2 HIS 107 HE2 HIS 107 5.902 0.563 7.061 381 H PHE 108 H PHE 108 5.191 -0.016 -0.140 382 HA PHE 108 HA PHE 108 7.309 0.030 -2.352 383 1HB PHE 108 1HB PHE 108 4.318 -0.654 -2.553 384 2HB PHE 108 2HB PHE 108 5.435 -0.656 -3.880 385 HD1 PHE 108 HD2 PHE 108 7.146 -2.454 -4.155 386 HD2 PHE 108 HD1 PHE 108 4.407 -2.512 -0.838 387 HE1 PHE 108 HE2 PHE 108 7.659 -4.824 -3.761 388 HE2 PHE 108 HE1 PHE 108 4.907 -4.901 -0.484 389 HZ PHE 108 HZ PHE 108 6.531 -6.056 -1.931 390 H LYS 109 H LYS 109 7.492 1.763 -3.598 391 HA LYS 109 HA LYS 109 5.973 4.252 -2.936 392 1HB LYS 109 1HB LYS 109 8.460 4.255 -3.397 393 2HB LYS 109 2HB LYS 109 8.142 3.931 -5.098 394 1HG LYS 109 1HG LYS 109 6.798 6.104 -5.220 395 2HG LYS 109 2HG LYS 109 7.124 6.388 -3.511 396 1HD LYS 109 1HD LYS 109 9.614 6.457 -4.012 397 2HD LYS 109 2HD LYS 109 9.267 6.182 -5.724 398 1HE LYS 109 1HE LYS 109 7.906 8.343 -5.785 399 2HE LYS 109 2HE LYS 109 8.282 8.619 -4.079 400 1HZ LYS 109 2HZ LYS 109 10.300 8.426 -6.265 401 2HZ LYS 109 3HZ LYS 109 9.797 9.817 -5.530 402 3HZ LYS 109 1HZ LYS 109 10.648 8.692 -4.672 403 H VAL 110 H VAL 110 4.290 4.953 -3.901 404 HA VAL 110 HA VAL 110 3.282 3.847 -6.590 405 HB VAL 110 HB VAL 110 1.721 5.023 -4.206 406 1HG1 VAL 110 3HG2 VAL 110 0.602 5.651 -6.349 407 2HG1 VAL 110 1HG2 VAL 110 0.601 3.948 -6.870 408 3HG1 VAL 110 2HG2 VAL 110 -0.356 4.468 -5.454 409 1HG2 VAL 110 2HG1 VAL 110 2.439 2.666 -3.744 410 2HG2 VAL 110 3HG1 VAL 110 0.691 2.749 -3.990 411 3HG2 VAL 110 1HG1 VAL 110 1.742 2.125 -5.289 412 H LEU 111 H LEU 111 4.222 5.244 -7.999 413 HA LEU 111 HA LEU 111 4.171 8.247 -7.454 414 1HB LEU 111 1HB LEU 111 6.101 8.402 -8.950 415 2HB LEU 111 2HB LEU 111 6.417 7.520 -7.496 416 HG LEU 111 HG LEU 111 5.662 5.797 -9.873 417 1HD1 LEU 111 3HD2 LEU 111 7.145 7.508 -10.977 418 2HD1 LEU 111 1HD2 LEU 111 8.414 7.224 -9.760 419 3HD1 LEU 111 2HD2 LEU 111 7.957 5.932 -10.899 420 1HD2 LEU 111 2HD1 LEU 111 6.319 4.719 -7.722 421 2HD2 LEU 111 3HD1 LEU 111 7.446 4.293 -9.017 422 3HD2 LEU 111 1HD1 LEU 111 7.915 5.497 -7.788 423 H ARG 112 H ARG 112 3.515 9.659 -8.984 424 HA ARG 112 HA ARG 112 1.531 8.600 -10.960 425 1HB ARG 112 1HB ARG 112 2.192 11.533 -10.295 426 2HB ARG 112 2HB ARG 112 0.887 10.979 -11.331 427 1HG ARG 112 1HG ARG 112 -0.115 9.727 -9.302 428 2HG ARG 112 2HG ARG 112 1.112 10.524 -8.302 429 1HD ARG 112 1HD ARG 112 0.277 12.786 -9.323 430 2HD ARG 112 2HD ARG 112 -1.053 11.860 -10.045 431 HE ARG 112 HE ARG 112 -1.002 11.342 -7.163 432 1HH1 ARG 112 2HH2 ARG 112 -1.784 13.981 -9.416 433 2HH1 ARG 112 1HH2 ARG 112 -2.933 14.710 -8.185 434 1HH2 ARG 112 1HH1 ARG 112 -2.335 12.262 -5.840 435 2HH2 ARG 112 2HH1 ARG 112 -3.222 13.801 -6.299 436 H ASP 113 H ASP 113 1.393 9.118 -13.113 437 HA ASP 113 HA ASP 113 3.920 10.046 -14.559 438 1HB ASP 113 1HB ASP 113 3.028 9.190 -16.674 439 2HB ASP 113 2HB ASP 113 3.428 7.981 -15.494 440 H GLY 114 H GLY 114 0.359 10.532 -15.016 441 1HA GLY 114 1HA GLY 114 0.929 13.399 -15.955 442 2HA GLY 114 2HA GLY 114 -0.538 12.495 -16.255 443 H ALA 115 H ALA 115 -2.183 12.679 -14.806 444 HA ALA 115 HA ALA 115 -1.742 13.702 -12.022 445 1HB ALA 115 3HB ALA 115 -3.775 15.153 -13.812 446 2HB ALA 115 1HB ALA 115 -3.572 15.338 -12.047 447 3HB ALA 115 2HB ALA 115 -2.255 15.832 -13.139 448 H GLY 116 H GLY 116 -2.799 12.551 -10.856 449 1HA GLY 116 1HA GLY 116 -4.096 10.673 -9.965 450 2HA GLY 116 2HA GLY 116 -5.379 11.157 -11.058 451 H LYS 117 H LYS 117 -2.093 9.779 -11.510 452 HA LYS 117 HA LYS 117 -3.227 7.394 -13.091 453 1HB LYS 117 1HB LYS 117 -0.805 9.059 -14.020 454 2HB LYS 117 2HB LYS 117 -1.523 7.694 -14.847 455 1HG LYS 117 1HG LYS 117 -2.817 10.459 -14.477 456 2HG LYS 117 2HG LYS 117 -1.922 9.939 -15.887 457 1HD LYS 117 1HD LYS 117 -3.592 8.216 -16.443 458 2HD LYS 117 2HD LYS 117 -4.498 8.526 -14.957 459 1HE LYS 117 1HE LYS 117 -4.995 10.882 -15.707 460 2HE LYS 117 2HE LYS 117 -4.040 10.642 -17.175 461 1HZ LYS 117 2HZ LYS 117 -6.489 9.102 -16.458 462 2HZ LYS 117 3HZ LYS 117 -6.393 10.302 -17.590 463 3HZ LYS 117 1HZ LYS 117 -5.596 8.875 -17.829 464 H TYR 118 H TYR 118 -2.832 6.465 -10.983 465 HA TYR 118 HA TYR 118 -0.151 6.593 -9.752 466 1HB TYR 118 1HB TYR 118 -2.549 4.852 -8.875 467 2HB TYR 118 2HB TYR 118 -1.142 5.202 -7.934 468 HD1 TYR 118 HD1 TYR 118 -0.644 7.729 -7.320 469 HD2 TYR 118 HD2 TYR 118 -4.457 6.352 -8.767 470 HE1 TYR 118 HE1 TYR 118 -1.716 9.760 -6.475 471 HE2 TYR 118 HE2 TYR 118 -5.510 8.400 -7.925 472 HH TYR 118 HH TYR 118 -5.219 10.318 -6.868 473 H PHE 119 H PHE 119 1.476 5.428 -10.513 474 HA PHE 119 HA PHE 119 1.085 2.459 -11.161 475 1HB PHE 119 1HB PHE 119 2.548 2.455 -12.929 476 2HB PHE 119 2HB PHE 119 1.520 3.811 -13.230 477 HD1 PHE 119 HD2 PHE 119 4.954 2.734 -12.485 478 HD2 PHE 119 HD1 PHE 119 2.481 6.191 -13.116 479 HE1 PHE 119 HE2 PHE 119 6.960 4.092 -12.914 480 HE2 PHE 119 HE1 PHE 119 4.511 7.543 -13.510 481 HZ PHE 119 HZ PHE 119 6.736 6.498 -13.437 482 H LEU 120 H LEU 120 2.324 1.078 -10.150 483 HA LEU 120 HA LEU 120 4.611 2.044 -8.383 484 1HB LEU 120 1HB LEU 120 4.534 0.200 -7.047 485 2HB LEU 120 2HB LEU 120 2.888 0.744 -7.202 486 HG LEU 120 HG LEU 120 4.126 -1.749 -8.536 487 1HD1 LEU 120 1HD1 LEU 120 3.859 -1.981 -6.082 488 2HD1 LEU 120 2HD1 LEU 120 2.144 -1.511 -6.188 489 3HD1 LEU 120 3HD1 LEU 120 2.706 -3.028 -6.930 490 1HD2 LEU 120 2HD2 LEU 120 1.170 -0.849 -8.644 491 2HD2 LEU 120 3HD2 LEU 120 2.285 -0.946 -10.026 492 3HD2 LEU 120 1HD2 LEU 120 1.802 -2.423 -9.197 493 H TRP 121 H TRP 121 3.967 -0.561 -10.799 494 HA TRP 121 HA TRP 121 6.928 -0.917 -11.273 495 1HB TRP 121 1HB TRP 121 4.797 -2.338 -12.929 496 2HB TRP 121 2HB TRP 121 6.468 -2.743 -12.725 497 HD1 TRP 121 HD1 TRP 121 7.098 -3.691 -10.018 498 HE1 TRP 121 HE1 TRP 121 5.850 -5.672 -8.797 499 HE3 TRP 121 HE3 TRP 121 2.671 -3.215 -12.518 500 HZ2 TRP 121 HZ2 TRP 121 3.249 -6.864 -9.147 501 HZ3 TRP 121 HZ3 TRP 121 0.876 -4.853 -12.091 502 HH2 TRP 121 HH2 TRP 121 1.171 -6.652 -10.441 503 H VAL 122 H VAL 122 4.294 -0.610 -13.663 504 HA VAL 122 HA VAL 122 5.453 1.855 -14.918 505 HB VAL 122 HB VAL 122 5.460 0.895 -17.250 506 1HG1 VAL 122 3HG2 VAL 122 7.577 1.430 -16.041 507 2HG1 VAL 122 1HG2 VAL 122 7.678 -0.253 -15.467 508 3HG1 VAL 122 2HG2 VAL 122 7.766 0.106 -17.206 509 1HG2 VAL 122 2HG1 VAL 122 4.272 -1.287 -16.955 510 2HG2 VAL 122 3HG1 VAL 122 5.878 -1.520 -17.661 511 3HG2 VAL 122 1HG1 VAL 122 5.602 -1.897 -15.942 512 H VAL 123 H VAL 123 2.879 -0.634 -15.156 513 HA VAL 123 HA VAL 123 1.169 1.116 -16.795 514 HB VAL 123 HB VAL 123 1.229 -1.315 -17.086 515 1HG1 VAL 123 3HG2 VAL 123 1.298 -2.158 -14.712 516 2HG1 VAL 123 1HG2 VAL 123 -0.394 -1.661 -14.488 517 3HG1 VAL 123 2HG2 VAL 123 0.017 -2.930 -15.664 518 1HG2 VAL 123 2HG1 VAL 123 -0.706 -0.012 -17.959 519 2HG2 VAL 123 3HG1 VAL 123 -1.157 -1.678 -17.547 520 3HG2 VAL 123 1HG1 VAL 123 -1.620 -0.341 -16.467 521 H LYS 124 H LYS 124 -0.398 2.440 -16.242 522 HA LYS 124 HA LYS 124 -0.613 3.286 -13.414 523 1HB LYS 124 1HB LYS 124 -1.605 5.300 -14.159 524 2HB LYS 124 2HB LYS 124 -0.277 4.901 -15.200 525 1HG LYS 124 1HG LYS 124 -1.771 5.688 -16.750 526 2HG LYS 124 2HG LYS 124 -2.100 3.969 -16.893 527 1HD LYS 124 1HD LYS 124 -4.143 4.303 -15.327 528 2HD LYS 124 2HD LYS 124 -3.727 5.999 -15.217 529 1HE LYS 124 1HE LYS 124 -5.494 5.873 -16.817 530 2HE LYS 124 2HE LYS 124 -4.048 6.209 -17.763 531 1HZ LYS 124 1HZ LYS 124 -5.303 3.521 -17.418 532 2HZ LYS 124 2HZ LYS 124 -5.404 4.471 -18.766 533 3HZ LYS 124 3HZ LYS 124 -3.952 3.820 -18.320 534 H PHE 125 H PHE 125 -2.409 3.726 -12.251 535 HA PHE 125 HA PHE 125 -5.030 2.291 -12.879 536 1HB PHE 125 1HB PHE 125 -3.559 2.025 -10.168 537 2HB PHE 125 2HB PHE 125 -5.212 1.545 -10.459 538 HD1 PHE 125 HD2 PHE 125 -5.734 -0.374 -12.072 539 HD2 PHE 125 HD1 PHE 125 -1.679 0.614 -11.012 540 HE1 PHE 125 HE2 PHE 125 -4.939 -2.462 -13.105 541 HE2 PHE 125 HE1 PHE 125 -0.910 -1.485 -12.025 542 HZ PHE 125 HZ PHE 125 -2.527 -3.000 -13.119 543 H ASN 126 H ASN 126 -6.398 3.880 -12.926 544 HA ASN 126 HA ASN 126 -5.829 6.566 -12.420 545 1HB ASN 126 1HB ASN 126 -8.619 5.286 -12.594 546 2HB ASN 126 2HB ASN 126 -8.371 7.012 -12.609 547 1HD2 ASN 126 1HD2 ASN 126 -7.293 7.110 -16.037 548 2HD2 ASN 126 2HD2 ASN 126 -7.414 8.007 -14.441 549 H SER 127 H SER 127 -7.485 4.568 -9.960 550 HA SER 127 HA SER 127 -7.411 6.987 -8.076 551 1HB SER 127 1HB SER 127 -9.703 6.518 -7.340 552 2HB SER 127 2HB SER 127 -9.684 6.773 -9.078 553 HG SER 127 HG SER 127 -9.670 4.485 -9.323 554 H LEU 128 H LEU 128 -7.628 6.591 -5.895 555 HA LEU 128 HA LEU 128 -6.282 4.126 -4.775 556 1HB LEU 128 1HB LEU 128 -7.328 6.741 -3.523 557 2HB LEU 128 2HB LEU 128 -7.058 5.337 -2.528 558 HG LEU 128 HG LEU 128 -4.674 5.202 -3.137 559 1HD1 LEU 128 2HD2 LEU 128 -5.089 7.835 -4.702 560 2HD1 LEU 128 3HD2 LEU 128 -3.513 7.117 -4.285 561 3HD1 LEU 128 1HD2 LEU 128 -4.601 6.264 -5.388 562 1HD2 LEU 128 2HD1 LEU 128 -5.378 6.452 -1.098 563 2HD2 LEU 128 3HD1 LEU 128 -3.961 7.229 -1.828 564 3HD2 LEU 128 1HD1 LEU 128 -5.570 7.952 -2.041 565 H ASN 129 H ASN 129 -7.425 2.416 -4.486 566 HA ASN 129 HA ASN 129 -9.342 1.186 -3.445 567 1HB ASN 129 1HB ASN 129 -11.024 2.988 -3.245 568 2HB ASN 129 2HB ASN 129 -11.291 2.961 -4.979 569 1HD2 ASN 129 1HD2 ASN 129 -12.990 0.016 -2.633 570 2HD2 ASN 129 2HD2 ASN 129 -11.701 1.142 -1.972 571 H GLU 130 H GLU 130 -9.276 2.435 -6.883 572 HA GLU 130 HA GLU 130 -9.630 -0.131 -8.187 573 1HB GLU 130 1HB GLU 130 -9.812 2.212 -9.212 574 2HB GLU 130 2HB GLU 130 -8.058 2.348 -9.153 575 1HG GLU 130 1HG GLU 130 -7.957 0.227 -10.625 576 2HG GLU 130 2HG GLU 130 -9.719 0.301 -10.738 577 H LEU 131 H LEU 131 -6.579 1.592 -7.286 578 HA LEU 131 HA LEU 131 -4.736 -0.577 -7.969 579 1HB LEU 131 1HB LEU 131 -4.126 1.861 -7.635 580 2HB LEU 131 2HB LEU 131 -4.452 1.695 -5.921 581 HG LEU 131 HG LEU 131 -2.556 -0.035 -5.786 582 1HD1 LEU 131 1HD2 LEU 131 -2.425 -0.729 -8.209 583 2HD1 LEU 131 2HD2 LEU 131 -1.903 0.917 -8.655 584 3HD1 LEU 131 3HD2 LEU 131 -0.870 -0.107 -7.631 585 1HD2 LEU 131 3HD1 LEU 131 -2.224 2.343 -5.105 586 2HD2 LEU 131 1HD1 LEU 131 -0.752 1.685 -5.843 587 3HD2 LEU 131 2HD1 LEU 131 -1.796 2.786 -6.777 588 H VAL 132 H VAL 132 -6.445 0.120 -4.890 589 HA VAL 132 HA VAL 132 -5.239 -2.004 -3.271 590 HB VAL 132 HB VAL 132 -7.901 -0.501 -3.033 591 1HG1 VAL 132 3HG1 VAL 132 -6.900 -2.634 -1.061 592 2HG1 VAL 132 1HG1 VAL 132 -8.157 -1.417 -0.684 593 3HG1 VAL 132 2HG1 VAL 132 -8.435 -2.620 -1.943 594 1HG2 VAL 132 3HG2 VAL 132 -5.844 0.829 -2.541 595 2HG2 VAL 132 1HG2 VAL 132 -6.790 0.575 -1.063 596 3HG2 VAL 132 2HG2 VAL 132 -5.319 -0.393 -1.354 597 H ASP 133 H ASP 133 -8.466 -2.062 -4.876 598 HA ASP 133 HA ASP 133 -8.897 -4.844 -4.349 599 1HB ASP 133 1HB ASP 133 -10.664 -3.085 -4.912 600 2HB ASP 133 2HB ASP 133 -10.214 -3.192 -6.604 601 H TYR 134 H TYR 134 -7.220 -3.372 -7.121 602 HA TYR 134 HA TYR 134 -6.949 -5.747 -8.827 603 1HB TYR 134 1HB TYR 134 -6.489 -3.502 -9.699 604 2HB TYR 134 2HB TYR 134 -5.226 -3.218 -8.530 605 HD1 TYR 134 HD2 TYR 134 -6.117 -5.367 -11.511 606 HD2 TYR 134 HD1 TYR 134 -2.949 -3.919 -8.985 607 HE1 TYR 134 HE2 TYR 134 -4.447 -6.320 -13.043 608 HE2 TYR 134 HE1 TYR 134 -1.292 -4.886 -10.519 609 HH TYR 134 HH TYR 134 -0.953 -6.001 -12.401 610 H HIS 135 H HIS 135 -4.600 -4.407 -6.394 611 HA HIS 135 HA HIS 135 -3.047 -6.935 -6.378 612 1HB HIS 135 1HB HIS 135 -2.804 -4.536 -4.471 613 2HB HIS 135 2HB HIS 135 -1.733 -5.926 -4.482 614 HD2 HIS 135 HD2 HIS 135 -1.507 -2.561 -5.605 615 HE1 HIS 135 HE1 HIS 135 0.450 -4.586 -8.663 616 HE2 HIS 135 HE2 HIS 135 0.101 -2.230 -7.684 617 H ARG 136 H ARG 136 -5.916 -6.288 -4.765 618 HA ARG 136 HA ARG 136 -5.646 -8.097 -2.465 619 1HB ARG 136 1HB ARG 136 -7.459 -6.366 -3.005 620 2HB ARG 136 2HB ARG 136 -8.134 -7.480 -4.183 621 1HG ARG 136 1HG ARG 136 -8.725 -9.082 -2.419 622 2HG ARG 136 2HG ARG 136 -7.807 -8.203 -1.204 623 1HD ARG 136 1HD ARG 136 -10.227 -7.019 -2.725 624 2HD ARG 136 2HD ARG 136 -10.369 -7.814 -1.170 625 HE ARG 136 HE ARG 136 -9.408 -5.042 -1.668 626 1HH1 ARG 136 2HH2 ARG 136 -9.195 -7.694 0.696 627 2HH1 ARG 136 1HH2 ARG 136 -8.816 -6.488 2.026 628 1HH2 ARG 136 1HH1 ARG 136 -8.973 -3.774 -0.086 629 2HH2 ARG 136 2HH1 ARG 136 -8.699 -4.419 1.609 630 H SER 137 H SER 137 -5.924 -8.748 -5.887 631 HA SER 137 HA SER 137 -5.928 -11.734 -5.411 632 1HB SER 137 1HB SER 137 -7.036 -10.299 -7.903 633 2HB SER 137 2HB SER 137 -6.813 -12.044 -7.752 634 HG SER 137 HG SER 137 -8.903 -11.400 -7.238 635 H THR 138 H THR 138 -4.385 -9.015 -7.119 636 HA THR 138 HA THR 138 -2.290 -10.839 -8.349 637 HB THR 138 HB THR 138 -2.836 -7.795 -8.622 638 HG1 THR 138 HG1 THR 138 -3.479 -8.423 -10.677 639 1HG2 THR 138 3HG2 THR 138 -0.712 -9.430 -10.146 640 2HG2 THR 138 1HG2 THR 138 -1.323 -7.837 -10.654 641 3HG2 THR 138 2HG2 THR 138 -0.460 -7.990 -9.130 642 H SER 139 H SER 139 -0.100 -10.500 -8.080 643 HA SER 139 HA SER 139 0.936 -10.013 -5.357 644 1HB SER 139 1HB SER 139 1.967 -11.636 -6.924 645 2HB SER 139 2HB SER 139 2.382 -10.344 -8.065 646 HG SER 139 HG SER 139 4.078 -10.903 -6.669 647 H VAL 140 H VAL 140 1.830 -8.222 -4.501 648 HA VAL 140 HA VAL 140 1.747 -5.575 -5.880 649 HB VAL 140 HB VAL 140 3.085 -6.126 -3.182 650 1HG1 VAL 140 2HG1 VAL 140 3.725 -3.912 -4.188 651 2HG1 VAL 140 3HG1 VAL 140 2.009 -3.493 -4.404 652 3HG1 VAL 140 1HG1 VAL 140 2.689 -3.682 -2.772 653 1HG2 VAL 140 3HG2 VAL 140 0.618 -6.764 -3.052 654 2HG2 VAL 140 1HG2 VAL 140 1.026 -5.361 -2.061 655 3HG2 VAL 140 2HG2 VAL 140 0.196 -5.131 -3.618 656 H SER 141 H SER 141 4.404 -7.790 -4.901 657 HA SER 141 HA SER 141 6.453 -6.115 -6.420 658 1HB SER 141 1HB SER 141 6.932 -7.061 -4.060 659 2HB SER 141 2HB SER 141 6.908 -8.673 -4.745 660 HG SER 141 HG SER 141 8.567 -6.517 -5.547 661 H ARG 142 H ARG 142 8.011 -7.490 -7.757 662 HA ARG 142 HA ARG 142 6.524 -9.264 -9.718 663 1HB ARG 142 1HB ARG 142 9.440 -8.314 -9.789 664 2HB ARG 142 2HB ARG 142 8.715 -9.379 -10.972 665 1HG ARG 142 1HG ARG 142 7.866 -6.469 -10.451 666 2HG ARG 142 2HG ARG 142 8.873 -7.054 -11.766 667 1HD ARG 142 1HD ARG 142 6.894 -8.496 -12.583 668 2HD ARG 142 2HD ARG 142 5.894 -7.741 -11.329 669 HE ARG 142 HE ARG 142 7.200 -5.684 -13.022 670 1HH1 ARG 142 1HH2 ARG 142 3.584 -6.934 -14.238 671 2HH1 ARG 142 2HH2 ARG 142 4.464 -7.956 -12.994 672 1HH2 ARG 142 1HH1 ARG 142 6.106 -4.599 -14.437 673 2HH2 ARG 142 2HH1 ARG 142 4.452 -5.164 -14.997 674 H ASN 143 H ASN 143 9.517 -9.631 -7.726 675 HA ASN 143 HA ASN 143 9.533 -12.568 -8.005 676 1HB ASN 143 1HB ASN 143 11.593 -11.150 -7.683 677 2HB ASN 143 2HB ASN 143 11.102 -10.794 -6.043 678 1HD2 ASN 143 1HD2 ASN 143 12.831 -14.446 -6.854 679 2HD2 ASN 143 2HD2 ASN 143 12.285 -13.321 -8.197 680 H GLN 144 H GLN 144 8.898 -10.579 -5.036 681 HA GLN 144 HA GLN 144 7.808 -12.953 -3.579 682 1HB GLN 144 1HB GLN 144 7.957 -9.971 -2.796 683 2HB GLN 144 2HB GLN 144 7.264 -11.211 -1.764 684 1HG GLN 144 1HG GLN 144 9.430 -12.465 -1.699 685 2HG GLN 144 2HG GLN 144 10.178 -11.281 -2.760 686 1HE2 GLN 144 2HE2 GLN 144 11.001 -9.211 0.058 687 2HE2 GLN 144 1HE2 GLN 144 11.301 -9.723 -1.678 688 H GLN 145 H GLN 145 5.726 -13.339 -2.978 689 HA GLN 145 HA GLN 145 3.524 -12.024 -4.645 690 1HB GLN 145 1HB GLN 145 3.849 -14.834 -3.503 691 2HB GLN 145 2HB GLN 145 2.261 -14.196 -3.818 692 1HG GLN 145 1HG GLN 145 2.917 -15.478 -5.736 693 2HG GLN 145 2HG GLN 145 2.709 -13.807 -6.187 694 1HE2 GLN 145 2HE2 GLN 145 6.449 -15.501 -6.610 695 2HE2 GLN 145 1HE2 GLN 145 5.136 -16.321 -5.624 696 H ILE 146 H ILE 146 2.731 -10.355 -3.569 697 HA ILE 146 HA ILE 146 1.909 -10.692 -0.638 698 HB ILE 146 HB ILE 146 2.490 -8.025 -2.004 699 1HG1 ILE 146 1HG1 ILE 146 4.270 -7.885 -0.058 700 2HG1 ILE 146 2HG1 ILE 146 4.139 -9.631 0.051 701 1HG2 ILE 146 3HG2 ILE 146 1.635 -8.633 0.905 702 2HG2 ILE 146 1HG2 ILE 146 2.182 -7.053 0.311 703 3HG2 ILE 146 2HG2 ILE 146 0.686 -7.759 -0.304 704 1HD1 ILE 146 3HD1 ILE 146 4.924 -8.068 -2.510 705 2HD1 ILE 146 1HD1 ILE 146 6.078 -8.759 -1.337 706 3HD1 ILE 146 2HD1 ILE 146 5.033 -9.832 -2.279 707 H PHE 147 H PHE 147 -0.195 -10.757 -0.279 708 HA PHE 147 HA PHE 147 -2.208 -9.699 -2.350 709 1HB PHE 147 1HB PHE 147 -2.581 -12.266 -0.702 710 2HB PHE 147 2HB PHE 147 -3.722 -11.579 -1.833 711 HD1 PHE 147 HD2 PHE 147 -2.768 -11.175 -4.354 712 HD2 PHE 147 HD1 PHE 147 -1.053 -13.938 -1.533 713 HE1 PHE 147 HE2 PHE 147 -1.606 -12.354 -6.187 714 HE2 PHE 147 HE1 PHE 147 0.061 -15.112 -3.394 715 HZ PHE 147 HZ PHE 147 -0.196 -14.314 -5.704 716 H LEU 148 H LEU 148 -3.505 -8.255 -1.569 717 HA LEU 148 HA LEU 148 -3.122 -7.203 1.102 718 1HB LEU 148 1HB LEU 148 -4.851 -6.371 -1.282 719 2HB LEU 148 2HB LEU 148 -5.138 -5.617 0.249 720 HG LEU 148 HG LEU 148 -2.846 -4.774 0.432 721 1HD1 LEU 148 3HD1 LEU 148 -2.293 -6.068 -2.305 722 2HD1 LEU 148 1HD1 LEU 148 -1.259 -4.842 -1.524 723 3HD1 LEU 148 2HD1 LEU 148 -1.473 -6.429 -0.772 724 1HD2 LEU 148 3HD2 LEU 148 -4.614 -3.403 -0.727 725 2HD2 LEU 148 1HD2 LEU 148 -3.001 -3.060 -1.373 726 3HD2 LEU 148 2HD2 LEU 148 -4.129 -4.086 -2.295 727 H ARG 149 H ARG 149 -4.138 -7.318 2.900 728 HA ARG 149 HA ARG 149 -7.032 -8.283 3.167 729 1HB ARG 149 1HB ARG 149 -4.629 -8.727 5.086 730 2HB ARG 149 2HB ARG 149 -6.283 -9.105 5.496 731 1HG ARG 149 1HG ARG 149 -4.708 -10.421 3.207 732 2HG ARG 149 2HG ARG 149 -4.887 -11.088 4.815 733 1HD ARG 149 1HD ARG 149 -7.253 -10.544 2.893 734 2HD ARG 149 2HD ARG 149 -6.403 -12.066 3.032 735 HE ARG 149 HE ARG 149 -7.266 -12.446 5.309 736 1HH1 ARG 149 2HH2 ARG 149 -8.677 -9.536 3.823 737 2HH1 ARG 149 1HH2 ARG 149 -10.025 -9.545 5.067 738 1HH2 ARG 149 1HH1 ARG 149 -8.841 -12.353 6.665 739 2HH2 ARG 149 2HH1 ARG 149 -10.109 -11.031 6.565 740 H ASP 150 H ASP 150 -8.321 -7.009 4.410 741 HA ASP 150 HA ASP 150 -7.422 -4.282 5.136 742 1HB ASP 150 1HB ASP 150 -10.102 -5.726 5.698 743 2HB ASP 150 2HB ASP 150 -9.794 -4.069 6.166 744 H ILE 151 H ILE 151 -7.256 -3.312 7.069 745 HA ILE 151 HA ILE 151 -5.920 -4.867 9.149 746 HB ILE 151 HB ILE 151 -5.634 -2.724 10.383 747 1HG1 ILE 151 1HG1 ILE 151 -7.055 -1.241 8.096 748 2HG1 ILE 151 2HG1 ILE 151 -7.823 -1.611 9.629 749 1HG2 ILE 151 2HG2 ILE 151 -3.953 -3.441 8.755 750 2HG2 ILE 151 3HG2 ILE 151 -4.830 -2.656 7.428 751 3HG2 ILE 151 1HG2 ILE 151 -4.086 -1.676 8.714 752 1HD1 ILE 151 2HD1 ILE 151 -6.016 -0.305 10.869 753 2HD1 ILE 151 3HD1 ILE 151 -5.361 0.205 9.288 754 3HD1 ILE 151 1HD1 ILE 151 -7.009 0.670 9.764 755 H GLU 152 H GLU 152 -6.262 -4.723 11.438 756 HA GLU 152 HA GLU 152 -9.133 -5.446 12.149 757 1HB GLU 152 1HB GLU 152 -7.194 -7.061 12.653 758 2HB GLU 152 2HB GLU 152 -6.585 -5.904 13.812 759 1HG GLU 152 1HG GLU 152 -7.802 -7.538 15.060 760 2HG GLU 152 2HG GLU 152 -8.791 -6.094 15.111 761 HXT GLU 152 HO OH 153 -6.491 -3.857 13.743 No H/Q in entry = 761 Start of MODEL 11 1 1H GLY 58 1H GLY 58 -12.856 -2.816 3.390 2 2H GLY 58 2H GLY 58 -12.911 -3.449 1.884 3 1HA GLY 58 1HA GLY 58 -10.665 -2.739 1.390 4 2HA GLY 58 2HA GLY 58 -11.717 -1.388 1.801 5 H SER 59 H SER 59 -11.374 -0.305 3.722 6 HA SER 59 HA SER 59 -10.134 0.748 5.378 7 1HB SER 59 1HB SER 59 -9.305 -2.052 6.347 8 2HB SER 59 2HB SER 59 -9.172 -0.546 7.256 9 HG SER 59 HG SER 59 -11.431 -0.303 7.055 10 H TRP 60 H TRP 60 -8.830 1.875 4.225 11 HA TRP 60 HA TRP 60 -5.963 0.942 3.829 12 1HB TRP 60 1HB TRP 60 -5.897 1.727 1.510 13 2HB TRP 60 2HB TRP 60 -6.893 0.332 1.814 14 HD1 TRP 60 HD1 TRP 60 -9.531 0.431 1.468 15 HE1 TRP 60 HE1 TRP 60 -10.998 1.744 -0.300 16 HE3 TRP 60 HE3 TRP 60 -6.124 4.092 0.533 17 HZ2 TRP 60 HZ2 TRP 60 -10.457 4.011 -1.970 18 HZ3 TRP 60 HZ3 TRP 60 -6.634 5.798 -1.175 19 HH2 TRP 60 HH2 TRP 60 -8.766 5.753 -2.413 20 H PHE 61 H PHE 61 -8.010 3.906 3.550 21 HA PHE 61 HA PHE 61 -5.418 5.435 3.582 22 1HB PHE 61 1HB PHE 61 -7.215 6.086 1.933 23 2HB PHE 61 2HB PHE 61 -8.166 6.729 3.248 24 HD1 PHE 61 HD2 PHE 61 -4.608 6.893 1.865 25 HD2 PHE 61 HD1 PHE 61 -7.798 9.080 3.757 26 HE1 PHE 61 HE2 PHE 61 -3.222 8.914 1.885 27 HE2 PHE 61 HE1 PHE 61 -6.418 11.115 3.697 28 HZ PHE 61 HZ PHE 61 -4.125 11.038 2.776 29 H PHE 62 H PHE 62 -4.564 6.379 5.191 30 HA PHE 62 HA PHE 62 -6.079 6.857 7.828 31 1HB PHE 62 1HB PHE 62 -3.132 6.296 7.375 32 2HB PHE 62 2HB PHE 62 -3.687 7.189 8.761 33 HD1 PHE 62 HD2 PHE 62 -5.069 4.000 7.088 34 HD2 PHE 62 HD1 PHE 62 -3.555 5.860 10.670 35 HE1 PHE 62 HE2 PHE 62 -5.518 1.958 8.349 36 HE2 PHE 62 HE1 PHE 62 -3.997 3.789 11.909 37 HZ PHE 62 HZ PHE 62 -4.985 1.837 10.761 38 H GLY 63 H GLY 63 -3.205 8.551 6.485 39 1HA GLY 63 1HA GLY 63 -4.666 10.992 5.733 40 2HA GLY 63 2HA GLY 63 -4.121 11.154 7.402 41 H LYS 64 H LYS 64 -2.555 12.602 7.185 42 HA LYS 64 HA LYS 64 -0.262 12.228 5.171 43 1HB LYS 64 1HB LYS 64 -1.590 14.405 5.148 44 2HB LYS 64 2HB LYS 64 -1.074 14.718 6.790 45 1HG LYS 64 1HG LYS 64 0.272 16.031 5.353 46 2HG LYS 64 2HG LYS 64 1.347 14.801 5.995 47 1HD LYS 64 1HD LYS 64 1.363 13.560 3.896 48 2HD LYS 64 2HD LYS 64 -0.019 14.421 3.249 49 1HE LYS 64 1HE LYS 64 2.707 15.776 3.824 50 2HE LYS 64 2HE LYS 64 2.261 15.067 2.273 51 1HZ LYS 64 2HZ LYS 64 0.397 16.627 2.136 52 2HZ LYS 64 3HZ LYS 64 0.804 17.304 3.587 53 3HZ LYS 64 1HZ LYS 64 1.829 17.433 2.298 54 H ILE 65 H ILE 65 0.667 10.558 6.348 55 HA ILE 65 HA ILE 65 1.818 11.222 9.104 56 HB ILE 65 HB ILE 65 1.488 8.934 9.844 57 1HG1 ILE 65 1HG1 ILE 65 -0.217 8.347 7.370 58 2HG1 ILE 65 2HG1 ILE 65 1.442 7.799 7.583 59 1HG2 ILE 65 2HG2 ILE 65 -0.189 10.716 10.395 60 2HG2 ILE 65 3HG2 ILE 65 -1.195 10.191 9.023 61 3HG2 ILE 65 1HG2 ILE 65 -0.896 9.094 10.392 62 1HD1 ILE 65 3HD1 ILE 65 0.810 6.525 9.664 63 2HD1 ILE 65 1HD1 ILE 65 -0.898 6.983 9.406 64 3HD1 ILE 65 2HD1 ILE 65 -0.054 5.977 8.206 65 HA PRO 66 HA PRO 66 5.792 9.848 7.383 66 1HB PRO 66 1HB PRO 66 7.286 9.427 9.660 67 2HB PRO 66 2HB PRO 66 6.668 11.020 9.208 68 1HG PRO 66 1HG PRO 66 5.448 9.047 11.210 69 2HG PRO 66 2HG PRO 66 5.791 10.778 11.458 70 1HD PRO 66 1HD PRO 66 3.284 9.833 10.716 71 2HD PRO 66 2HD PRO 66 3.864 11.438 10.203 72 H ARG 67 H ARG 67 7.472 8.037 7.672 73 HA ARG 67 HA ARG 67 6.231 5.424 7.162 74 1HB ARG 67 1HB ARG 67 8.506 6.366 6.247 75 2HB ARG 67 2HB ARG 67 9.222 5.850 7.757 76 1HG ARG 67 1HG ARG 67 8.258 3.470 7.264 77 2HG ARG 67 2HG ARG 67 7.758 4.100 5.697 78 1HD ARG 67 1HD ARG 67 10.159 4.577 5.096 79 2HD ARG 67 2HD ARG 67 10.677 3.981 6.690 80 HE ARG 67 HE ARG 67 9.033 1.909 5.440 81 1HH1 ARG 67 2HH2 ARG 67 12.240 3.380 5.017 82 2HH1 ARG 67 1HH2 ARG 67 12.865 1.829 4.262 83 1HH2 ARG 67 1HH1 ARG 67 9.844 0.201 4.571 84 2HH2 ARG 67 2HH1 ARG 67 11.596 0.148 4.027 85 H ALA 68 H ALA 68 7.784 6.726 10.029 86 HA ALA 68 HA ALA 68 8.070 4.173 11.529 87 1HB ALA 68 2HB ALA 68 9.560 6.094 12.039 88 2HB ALA 68 3HB ALA 68 8.174 7.063 12.601 89 3HB ALA 68 1HB ALA 68 8.664 5.598 13.485 90 H LYS 69 H LYS 69 5.585 6.761 11.615 91 HA LYS 69 HA LYS 69 3.879 5.464 13.650 92 1HB LYS 69 1HB LYS 69 3.805 7.906 13.070 93 2HB LYS 69 2HB LYS 69 3.144 7.524 11.484 94 1HG LYS 69 1HG LYS 69 1.080 6.583 12.540 95 2HG LYS 69 2HG LYS 69 1.758 6.817 14.153 96 1HD LYS 69 1HD LYS 69 1.806 9.294 13.825 97 2HD LYS 69 2HD LYS 69 1.266 9.119 12.155 98 1HE LYS 69 1HE LYS 69 -0.918 8.098 12.950 99 2HE LYS 69 2HE LYS 69 -0.387 8.269 14.630 100 1HZ LYS 69 2HZ LYS 69 -0.758 10.524 12.715 101 2HZ LYS 69 3HZ LYS 69 -1.783 10.119 13.946 102 3HZ LYS 69 1HZ LYS 69 -0.267 10.683 14.284 103 H ALA 70 H ALA 70 4.072 5.116 10.125 104 HA ALA 70 HA ALA 70 1.640 3.367 9.874 105 1HB ALA 70 2HB ALA 70 2.353 4.664 7.928 106 2HB ALA 70 3HB ALA 70 3.951 3.871 7.897 107 3HB ALA 70 1HB ALA 70 2.476 2.938 7.540 108 H GLU 71 H GLU 71 5.151 2.742 10.123 109 HA GLU 71 HA GLU 71 4.978 -0.207 10.089 110 1HB GLU 71 1HB GLU 71 7.150 1.663 11.216 111 2HB GLU 71 2HB GLU 71 7.302 -0.087 11.164 112 1HG GLU 71 1HG GLU 71 7.167 -0.119 8.681 113 2HG GLU 71 2HG GLU 71 6.880 1.607 8.626 114 H GLU 72 H GLU 72 4.809 2.148 12.806 115 HA GLU 72 HA GLU 72 4.730 0.165 14.940 116 1HB GLU 72 1HB GLU 72 5.285 2.560 15.303 117 2HB GLU 72 2HB GLU 72 3.658 3.041 14.865 118 1HG GLU 72 1HG GLU 72 3.922 3.145 17.280 119 2HG GLU 72 2HG GLU 72 2.727 1.923 16.897 120 H MET 73 H MET 73 2.008 1.783 13.215 121 HA MET 73 HA MET 73 -0.144 0.342 14.596 122 1HB MET 73 1HB MET 73 -0.146 1.671 11.815 123 2HB MET 73 2HB MET 73 -1.576 1.010 12.584 124 1HG MET 73 1HG MET 73 0.073 3.367 13.685 125 2HG MET 73 2HG MET 73 -1.490 3.447 12.872 126 1HE MET 73 3HE MET 73 -0.087 3.956 16.167 127 2HE MET 73 2HE MET 73 -0.865 2.834 17.323 128 3HE MET 73 1HE MET 73 0.395 2.232 16.208 129 H LEU 74 H LEU 74 1.457 -0.411 11.466 130 HA LEU 74 HA LEU 74 -0.088 -2.930 11.116 131 1HB LEU 74 1HB LEU 74 2.340 -1.841 9.598 132 2HB LEU 74 2HB LEU 74 1.507 -3.315 9.167 133 HG LEU 74 HG LEU 74 0.287 -0.507 9.132 134 1HD1 LEU 74 2HD2 LEU 74 1.114 -2.403 6.842 135 2HD1 LEU 74 3HD2 LEU 74 0.273 -0.850 6.647 136 3HD1 LEU 74 1HD2 LEU 74 1.909 -0.876 7.314 137 1HD2 LEU 74 1HD1 LEU 74 -1.061 -3.182 8.361 138 2HD2 LEU 74 2HD1 LEU 74 -1.568 -2.066 9.649 139 3HD2 LEU 74 3HD1 LEU 74 -1.704 -1.569 7.961 140 H SER 75 H SER 75 2.991 -2.346 12.728 141 HA SER 75 HA SER 75 3.861 -5.170 12.774 142 1HB SER 75 1HB SER 75 5.344 -4.575 14.636 143 2HB SER 75 2HB SER 75 5.483 -3.423 13.315 144 HG SER 75 HG SER 75 3.939 -3.094 15.679 145 H LYS 76 H LYS 76 1.627 -3.338 14.813 146 HA LYS 76 HA LYS 76 1.006 -5.413 16.805 147 1HB LYS 76 1HB LYS 76 -0.790 -3.155 15.729 148 2HB LYS 76 2HB LYS 76 -1.129 -4.115 17.156 149 1HG LYS 76 1HG LYS 76 0.833 -3.199 18.357 150 2HG LYS 76 2HG LYS 76 1.385 -2.352 16.918 151 1HD LYS 76 1HD LYS 76 -0.816 -1.031 16.901 152 2HD LYS 76 2HD LYS 76 -1.214 -1.740 18.459 153 1HE LYS 76 1HE LYS 76 1.294 -0.015 17.850 154 2HE LYS 76 2HE LYS 76 -0.198 0.589 18.562 155 1HZ LYS 76 3HZ LYS 76 0.158 -0.878 20.473 156 2HZ LYS 76 1HZ LYS 76 1.563 -1.454 19.821 157 3HZ LYS 76 2HZ LYS 76 1.446 0.134 20.259 158 H GLN 77 H GLN 77 -0.341 -4.778 13.552 159 HA GLN 77 HA GLN 77 -2.411 -6.845 13.560 160 1HB GLN 77 1HB GLN 77 -0.998 -5.227 11.373 161 2HB GLN 77 2HB GLN 77 -1.801 -6.690 10.892 162 1HG GLN 77 1HG GLN 77 -3.329 -4.913 10.556 163 2HG GLN 77 2HG GLN 77 -3.939 -5.991 11.779 164 1HE2 GLN 77 2HE2 GLN 77 -3.558 -2.068 12.704 165 2HE2 GLN 77 1HE2 GLN 77 -3.157 -2.755 11.050 166 H ARG 78 H ARG 78 -2.129 -8.819 13.713 167 HA ARG 78 HA ARG 78 0.374 -10.367 13.270 168 1HB ARG 78 1HB ARG 78 -0.831 -12.277 14.133 169 2HB ARG 78 2HB ARG 78 -1.162 -10.883 15.129 170 1HG ARG 78 1HG ARG 78 -3.421 -10.608 13.940 171 2HG ARG 78 2HG ARG 78 -3.097 -12.055 13.009 172 1HD ARG 78 1HD ARG 78 -3.344 -11.938 16.085 173 2HD ARG 78 2HD ARG 78 -4.632 -12.391 14.964 174 HE ARG 78 HE ARG 78 -2.378 -14.155 14.425 175 1HH1 ARG 78 2HH2 ARG 78 -4.770 -13.588 16.994 176 2HH1 ARG 78 1HH2 ARG 78 -4.642 -15.342 17.519 177 1HH2 ARG 78 1HH1 ARG 78 -2.312 -16.127 15.107 178 2HH2 ARG 78 2HH1 ARG 78 -3.343 -16.681 16.521 179 H HIS 79 H HIS 79 -2.243 -9.727 11.075 180 HA HIS 79 HA HIS 79 -2.081 -12.312 9.650 181 1HB HIS 79 1HB HIS 79 -3.624 -9.777 8.832 182 2HB HIS 79 2HB HIS 79 -3.862 -11.380 8.185 183 HD2 HIS 79 HD2 HIS 79 -4.595 -13.351 10.251 184 HE1 HIS 79 HE1 HIS 79 -6.598 -10.523 12.547 185 HE2 HIS 79 HE2 HIS 79 -6.327 -13.061 12.245 186 H ASP 80 H ASP 80 -1.494 -12.758 7.621 187 HA ASP 80 HA ASP 80 0.588 -11.108 6.225 188 1HB ASP 80 1HB ASP 80 -0.706 -13.823 5.509 189 2HB ASP 80 2HB ASP 80 0.377 -12.987 4.420 190 H GLY 81 H GLY 81 0.156 -9.623 4.779 191 1HA GLY 81 1HA GLY 81 -1.061 -8.744 2.778 192 2HA GLY 81 2HA GLY 81 -2.547 -9.488 3.320 193 H ALA 82 H ALA 82 -1.866 -8.409 6.199 194 HA ALA 82 HA ALA 82 -3.840 -6.338 6.121 195 1HB ALA 82 2HB ALA 82 -3.385 -7.611 8.159 196 2HB ALA 82 3HB ALA 82 -1.761 -6.892 8.323 197 3HB ALA 82 1HB ALA 82 -3.215 -5.885 8.503 198 H PHE 83 H PHE 83 -3.716 -4.366 5.236 199 HA PHE 83 HA PHE 83 -1.014 -2.869 5.229 200 1HB PHE 83 1HB PHE 83 -1.168 -2.409 2.931 201 2HB PHE 83 2HB PHE 83 -1.422 -4.100 3.105 202 HD1 PHE 83 HD2 PHE 83 -3.841 -5.013 2.717 203 HD2 PHE 83 HD1 PHE 83 -2.884 -0.883 2.068 204 HE1 PHE 83 HE2 PHE 83 -6.095 -4.634 1.795 205 HE2 PHE 83 HE1 PHE 83 -5.058 -0.540 1.043 206 HZ PHE 83 HZ PHE 83 -6.733 -2.390 0.996 207 H LEU 84 H LEU 84 -1.033 -0.650 4.782 208 HA LEU 84 HA LEU 84 -3.617 0.861 4.772 209 1HB LEU 84 1HB LEU 84 -3.250 2.409 6.485 210 2HB LEU 84 2HB LEU 84 -3.112 0.819 7.160 211 HG LEU 84 HG LEU 84 -0.437 1.281 6.870 212 1HD1 LEU 84 3HD1 LEU 84 -1.570 4.150 7.159 213 2HD1 LEU 84 1HD1 LEU 84 0.133 3.683 7.362 214 3HD1 LEU 84 2HD1 LEU 84 -0.629 3.556 5.779 215 1HD2 LEU 84 3HD2 LEU 84 -1.662 0.835 9.051 216 2HD2 LEU 84 1HD2 LEU 84 -0.344 2.009 9.215 217 3HD2 LEU 84 2HD2 LEU 84 -2.032 2.568 9.174 218 H ILE 85 H ILE 85 -3.568 2.359 3.243 219 HA ILE 85 HA ILE 85 -0.987 3.255 1.964 220 HB ILE 85 HB ILE 85 -3.929 3.839 1.327 221 1HG1 ILE 85 1HG1 ILE 85 -1.737 2.393 -0.306 222 2HG1 ILE 85 2HG1 ILE 85 -2.855 1.556 0.758 223 1HG2 ILE 85 2HG2 ILE 85 -2.677 5.927 0.749 224 2HG2 ILE 85 3HG2 ILE 85 -1.480 4.995 -0.173 225 3HG2 ILE 85 1HG2 ILE 85 -3.178 5.100 -0.719 226 1HD1 ILE 85 3HD1 ILE 85 -4.809 2.292 -0.592 227 2HD1 ILE 85 1HD1 ILE 85 -3.701 3.107 -1.741 228 3HD1 ILE 85 2HD1 ILE 85 -3.626 1.341 -1.522 229 H ARG 86 H ARG 86 0.074 4.865 2.740 230 HA ARG 86 HA ARG 86 -1.228 7.149 4.320 231 1HB ARG 86 1HB ARG 86 0.930 7.688 5.238 232 2HB ARG 86 2HB ARG 86 0.557 6.015 5.589 233 1HG ARG 86 1HG ARG 86 2.158 5.286 3.750 234 2HG ARG 86 2HG ARG 86 2.504 6.980 3.390 235 1HD ARG 86 1HD ARG 86 3.369 7.261 5.805 236 2HD ARG 86 2HD ARG 86 3.098 5.546 6.044 237 HE ARG 86 HE ARG 86 4.897 4.963 4.496 238 1HH1 ARG 86 2HH2 ARG 86 4.624 8.487 4.885 239 2HH1 ARG 86 1HH2 ARG 86 6.278 8.707 4.123 240 1HH2 ARG 86 1HH1 ARG 86 6.757 5.334 3.646 241 2HH2 ARG 86 2HH1 ARG 86 7.401 7.043 3.470 242 H GLU 87 H GLU 87 -0.717 9.266 3.744 243 HA GLU 87 HA GLU 87 0.231 9.753 0.886 244 1HB GLU 87 1HB GLU 87 -1.840 10.965 1.701 245 2HB GLU 87 2HB GLU 87 -0.855 11.856 2.854 246 1HG GLU 87 1HG GLU 87 0.534 12.782 0.924 247 2HG GLU 87 2HG GLU 87 -0.424 11.850 -0.220 248 H SER 88 H SER 88 2.306 10.206 0.600 249 HA SER 88 HA SER 88 4.250 9.908 2.688 250 1HB SER 88 1HB SER 88 4.719 11.056 -0.129 251 2HB SER 88 2HB SER 88 5.983 10.517 0.976 252 HG SER 88 HG SER 88 4.990 8.464 0.998 253 H GLU 89 H GLU 89 4.973 11.244 4.147 254 HA GLU 89 HA GLU 89 3.934 13.928 4.400 255 1HB GLU 89 1HB GLU 89 4.415 12.268 6.241 256 2HB GLU 89 2HB GLU 89 6.123 12.686 6.145 257 1HG GLU 89 1HG GLU 89 5.634 15.030 6.836 258 2HG GLU 89 2HG GLU 89 3.901 14.789 6.637 259 H SER 90 H SER 90 7.328 12.948 3.762 260 HA SER 90 HA SER 90 8.337 15.695 3.338 261 1HB SER 90 1HB SER 90 9.803 13.726 3.914 262 2HB SER 90 2HB SER 90 9.501 13.029 2.316 263 HG SER 90 HG SER 90 10.369 14.959 1.427 264 H ALA 91 H ALA 91 6.708 13.413 1.133 265 HA ALA 91 HA ALA 91 7.001 15.463 -1.157 266 1HB ALA 91 3HB ALA 91 6.892 12.401 -1.430 267 2HB ALA 91 1HB ALA 91 6.862 13.573 -2.767 268 3HB ALA 91 2HB ALA 91 8.299 13.454 -1.729 269 HA PRO 92 HA PRO 92 2.444 15.225 -0.084 270 1HB PRO 92 1HB PRO 92 2.505 17.861 -1.642 271 2HB PRO 92 2HB PRO 92 1.600 17.474 -0.164 272 1HG PRO 92 1HG PRO 92 3.901 18.918 0.006 273 2HG PRO 92 2HG PRO 92 3.598 17.635 1.201 274 1HD PRO 92 1HD PRO 92 5.411 17.500 -1.271 275 2HD PRO 92 2HD PRO 92 5.711 16.921 0.395 276 H GLY 93 H GLY 93 3.750 15.736 -3.208 277 1HA GLY 93 1HA GLY 93 1.259 14.633 -4.639 278 2HA GLY 93 2HA GLY 93 2.678 15.269 -5.440 279 H ASP 94 H ASP 94 2.522 12.868 -2.808 280 HA ASP 94 HA ASP 94 3.004 10.534 -4.652 281 1HB ASP 94 1HB ASP 94 5.325 11.602 -4.150 282 2HB ASP 94 2HB ASP 94 5.081 11.241 -2.455 283 H PHE 95 H PHE 95 2.271 8.659 -3.759 284 HA PHE 95 HA PHE 95 1.474 8.567 -0.801 285 1HB PHE 95 1HB PHE 95 0.152 7.210 -3.250 286 2HB PHE 95 2HB PHE 95 -0.188 6.791 -1.611 287 HD1 PHE 95 HD1 PHE 95 -0.429 9.576 -4.098 288 HD2 PHE 95 HD2 PHE 95 -1.715 8.182 -0.234 289 HE1 PHE 95 HE1 PHE 95 -2.084 11.391 -3.982 290 HE2 PHE 95 HE2 PHE 95 -3.382 10.004 -0.161 291 HZ PHE 95 HZ PHE 95 -3.554 11.609 -2.013 292 H SER 96 H SER 96 1.621 6.468 0.160 293 HA SER 96 HA SER 96 3.682 4.532 -1.033 294 1HB SER 96 1HB SER 96 3.899 5.741 1.798 295 2HB SER 96 2HB SER 96 4.806 4.336 1.226 296 HG SER 96 HG SER 96 5.624 5.634 -0.456 297 H LEU 97 H LEU 97 2.677 2.716 -1.107 298 HA LEU 97 HA LEU 97 0.420 1.804 0.676 299 1HB LEU 97 1HB LEU 97 0.361 1.333 -1.697 300 2HB LEU 97 2HB LEU 97 1.937 0.553 -1.662 301 HG LEU 97 HG LEU 97 0.937 -1.177 -0.071 302 1HD1 LEU 97 3HD2 LEU 97 -1.118 -0.009 0.673 303 2HD1 LEU 97 1HD2 LEU 97 -1.783 -0.094 -0.984 304 3HD1 LEU 97 2HD2 LEU 97 -1.487 -1.581 -0.049 305 1HD2 LEU 97 2HD1 LEU 97 1.404 -1.650 -2.485 306 2HD2 LEU 97 3HD1 LEU 97 -0.013 -2.527 -1.886 307 3HD2 LEU 97 1HD1 LEU 97 -0.233 -1.088 -2.920 308 H SER 98 H SER 98 0.988 1.225 2.612 309 HA SER 98 HA SER 98 3.667 -0.062 3.427 310 1HB SER 98 1HB SER 98 1.470 0.828 5.325 311 2HB SER 98 2HB SER 98 3.184 0.654 5.647 312 HG SER 98 HG SER 98 1.964 2.576 3.959 313 H VAL 99 H VAL 99 3.592 -2.379 3.384 314 HA VAL 99 HA VAL 99 0.871 -3.732 3.979 315 HB VAL 99 HB VAL 99 2.955 -4.786 1.975 316 1HG1 VAL 99 1HG2 VAL 99 0.078 -5.758 2.570 317 2HG1 VAL 99 2HG2 VAL 99 1.120 -6.371 1.267 318 3HG1 VAL 99 3HG2 VAL 99 1.578 -6.627 2.954 319 1HG2 VAL 99 1HG1 VAL 99 0.304 -3.362 1.302 320 2HG2 VAL 99 2HG1 VAL 99 1.957 -2.781 0.967 321 3HG2 VAL 99 3HG1 VAL 99 1.351 -4.222 0.142 322 H LYS 100 H LYS 100 0.968 -5.004 5.625 323 HA LYS 100 HA LYS 100 3.523 -6.093 6.851 324 1HB LYS 100 1HB LYS 100 1.608 -5.270 8.313 325 2HB LYS 100 2HB LYS 100 0.580 -6.531 7.676 326 1HG LYS 100 1HG LYS 100 1.316 -7.222 9.832 327 2HG LYS 100 2HG LYS 100 2.103 -8.288 8.681 328 1HD LYS 100 1HD LYS 100 4.250 -6.950 8.911 329 2HD LYS 100 2HD LYS 100 3.434 -5.841 10.019 330 1HE LYS 100 1HE LYS 100 3.021 -7.769 11.633 331 2HE LYS 100 2HE LYS 100 3.881 -8.858 10.533 332 1HZ LYS 100 1HZ LYS 100 5.053 -6.443 11.832 333 2HZ LYS 100 2HZ LYS 100 5.331 -8.012 12.272 334 3HZ LYS 100 3HZ LYS 100 5.864 -7.457 10.810 335 H PHE 101 H PHE 101 4.310 -7.982 6.054 336 HA PHE 101 HA PHE 101 2.393 -10.211 5.322 337 1HB PHE 101 1HB PHE 101 3.175 -8.897 3.166 338 2HB PHE 101 2HB PHE 101 4.714 -9.674 3.388 339 HD1 PHE 101 HD1 PHE 101 4.840 -12.248 3.194 340 HD2 PHE 101 HD2 PHE 101 1.181 -10.117 2.427 341 HE1 PHE 101 HE1 PHE 101 3.913 -14.223 2.053 342 HE2 PHE 101 HE2 PHE 101 0.267 -12.103 1.306 343 HZ PHE 101 HZ PHE 101 1.628 -14.157 1.113 344 H GLY 102 H GLY 102 2.888 -11.359 7.040 345 1HA GLY 102 1HA GLY 102 4.108 -13.189 8.048 346 2HA GLY 102 2HA GLY 102 5.569 -12.752 7.191 347 H ASN 103 H ASN 103 6.960 -11.286 8.144 348 HA ASN 103 HA ASN 103 6.286 -10.116 10.888 349 1HB ASN 103 1HB ASN 103 8.336 -10.844 11.890 350 2HB ASN 103 2HB ASN 103 7.469 -12.227 11.301 351 1HD2 ASN 103 1HD2 ASN 103 10.222 -13.259 9.190 352 2HD2 ASN 103 2HD2 ASN 103 8.486 -13.536 9.716 353 H ASP 104 H ASP 104 6.709 -8.891 8.069 354 HA ASP 104 HA ASP 104 8.371 -6.543 9.076 355 1HB ASP 104 1HB ASP 104 8.902 -7.893 6.343 356 2HB ASP 104 2HB ASP 104 9.562 -6.350 6.854 357 H VAL 105 H VAL 105 7.771 -4.634 8.303 358 HA VAL 105 HA VAL 105 5.234 -4.444 6.606 359 HB VAL 105 HB VAL 105 6.489 -2.273 8.354 360 1HG1 VAL 105 2HG1 VAL 105 5.201 -1.333 6.369 361 2HG1 VAL 105 3HG1 VAL 105 3.787 -2.292 6.819 362 3HG1 VAL 105 1HG1 VAL 105 4.364 -0.983 7.887 363 1HG2 VAL 105 3HG2 VAL 105 5.425 -4.069 9.773 364 2HG2 VAL 105 1HG2 VAL 105 4.529 -2.548 9.863 365 3HG2 VAL 105 2HG2 VAL 105 3.907 -3.886 8.861 366 H GLN 106 H GLN 106 5.797 -4.398 4.573 367 HA GLN 106 HA GLN 106 8.321 -3.033 3.594 368 1HB GLN 106 1HB GLN 106 8.441 -4.411 1.770 369 2HB GLN 106 2HB GLN 106 8.170 -5.407 3.197 370 1HG GLN 106 1HG GLN 106 5.651 -5.354 2.524 371 2HG GLN 106 2HG GLN 106 6.212 -4.626 1.017 372 1HE2 GLN 106 2HE2 GLN 106 6.550 -8.691 1.456 373 2HE2 GLN 106 1HE2 GLN 106 5.817 -7.596 2.732 374 H HIS 107 H HIS 107 8.242 -1.216 2.523 375 HA HIS 107 HA HIS 107 5.570 0.040 1.893 376 1HB HIS 107 1HB HIS 107 8.378 1.103 2.557 377 2HB HIS 107 2HB HIS 107 7.209 2.111 1.783 378 HD2 HIS 107 HD2 HIS 107 7.085 -0.269 4.950 379 HE1 HIS 107 HE1 HIS 107 4.838 3.067 5.848 380 HE2 HIS 107 HE2 HIS 107 5.732 0.920 6.877 381 H PHE 108 H PHE 108 5.013 -0.571 -0.075 382 HA PHE 108 HA PHE 108 6.824 -0.399 -2.494 383 1HB PHE 108 1HB PHE 108 3.792 -0.896 -2.455 384 2HB PHE 108 2HB PHE 108 4.847 -1.025 -3.832 385 HD1 PHE 108 HD1 PHE 108 6.409 -2.974 -4.102 386 HD2 PHE 108 HD2 PHE 108 3.695 -2.727 -0.770 387 HE1 PHE 108 HE1 PHE 108 6.706 -5.377 -3.668 388 HE2 PHE 108 HE2 PHE 108 4.004 -5.130 -0.354 389 HZ PHE 108 HZ PHE 108 5.507 -6.456 -1.795 390 H LYS 109 H LYS 109 6.977 1.417 -3.630 391 HA LYS 109 HA LYS 109 5.621 3.916 -2.658 392 1HB LYS 109 1HB LYS 109 7.726 3.547 -4.884 393 2HB LYS 109 2HB LYS 109 7.121 5.095 -4.352 394 1HG LYS 109 1HG LYS 109 8.666 3.110 -2.575 395 2HG LYS 109 2HG LYS 109 9.375 4.465 -3.418 396 1HD LYS 109 1HD LYS 109 7.263 4.704 -1.177 397 2HD LYS 109 2HD LYS 109 9.002 4.858 -0.973 398 1HE LYS 109 1HE LYS 109 9.005 6.857 -2.580 399 2HE LYS 109 2HE LYS 109 7.244 6.742 -2.681 400 1HZ LYS 109 3HZ LYS 109 8.788 7.223 -0.178 401 2HZ LYS 109 1HZ LYS 109 7.935 8.357 -1.025 402 3HZ LYS 109 2HZ LYS 109 7.142 7.119 -0.271 403 H VAL 110 H VAL 110 3.798 4.601 -3.414 404 HA VAL 110 HA VAL 110 2.630 3.742 -6.079 405 HB VAL 110 HB VAL 110 1.412 5.463 -3.852 406 1HG1 VAL 110 2HG1 VAL 110 0.351 6.020 -6.040 407 2HG1 VAL 110 3HG1 VAL 110 0.055 4.297 -6.364 408 3HG1 VAL 110 1HG1 VAL 110 -0.785 5.123 -5.024 409 1HG2 VAL 110 3HG2 VAL 110 1.690 3.056 -3.127 410 2HG2 VAL 110 1HG2 VAL 110 -0.007 3.540 -3.259 411 3HG2 VAL 110 2HG2 VAL 110 0.727 2.533 -4.528 412 H LEU 111 H LEU 111 3.658 4.759 -7.668 413 HA LEU 111 HA LEU 111 4.604 7.615 -7.403 414 1HB LEU 111 1HB LEU 111 4.991 5.614 -9.700 415 2HB LEU 111 2HB LEU 111 5.837 7.139 -9.520 416 HG LEU 111 HG LEU 111 6.064 4.742 -7.612 417 1HD1 LEU 111 3HD2 LEU 111 7.038 4.223 -9.839 418 2HD1 LEU 111 1HD2 LEU 111 8.038 5.696 -9.788 419 3HD1 LEU 111 2HD2 LEU 111 8.326 4.371 -8.629 420 1HD2 LEU 111 1HD1 LEU 111 7.737 7.351 -7.651 421 2HD2 LEU 111 2HD1 LEU 111 6.592 6.852 -6.380 422 3HD2 LEU 111 3HD1 LEU 111 8.077 5.924 -6.638 423 H ARG 112 H ARG 112 4.050 9.305 -8.804 424 HA ARG 112 HA ARG 112 1.355 8.956 -10.247 425 1HB ARG 112 1HB ARG 112 2.463 11.433 -8.800 426 2HB ARG 112 2HB ARG 112 0.982 11.402 -9.749 427 1HG ARG 112 1HG ARG 112 -0.014 9.660 -8.233 428 2HG ARG 112 2HG ARG 112 1.464 9.621 -7.288 429 1HD ARG 112 1HD ARG 112 0.041 10.965 -6.010 430 2HD ARG 112 2HD ARG 112 1.154 12.113 -6.753 431 HE ARG 112 HE ARG 112 -1.194 11.940 -8.472 432 1HH1 ARG 112 2HH2 ARG 112 -0.389 13.102 -5.209 433 2HH1 ARG 112 1HH2 ARG 112 -1.812 14.260 -5.256 434 1HH2 ARG 112 1HH1 ARG 112 -2.786 13.295 -8.411 435 2HH2 ARG 112 2HH1 ARG 112 -3.073 14.360 -6.945 436 H ASP 113 H ASP 113 1.367 9.195 -12.331 437 HA ASP 113 HA ASP 113 3.553 10.791 -13.753 438 1HB ASP 113 1HB ASP 113 3.087 9.670 -15.805 439 2HB ASP 113 2HB ASP 113 3.502 8.532 -14.559 440 H GLY 114 H GLY 114 3.049 12.762 -14.329 441 1HA GLY 114 1HA GLY 114 1.874 14.554 -15.398 442 2HA GLY 114 2HA GLY 114 0.530 13.488 -15.741 443 H ALA 115 H ALA 115 -1.271 13.836 -14.574 444 HA ALA 115 HA ALA 115 -1.311 15.882 -12.342 445 1HB ALA 115 2HB ALA 115 -2.949 16.178 -14.154 446 2HB ALA 115 3HB ALA 115 -3.663 14.577 -13.834 447 3HB ALA 115 1HB ALA 115 -3.775 15.868 -12.614 448 H GLY 116 H GLY 116 -3.097 12.757 -12.638 449 1HA GLY 116 1HA GLY 116 -1.765 11.676 -10.170 450 2HA GLY 116 2HA GLY 116 -3.461 12.080 -9.910 451 H LYS 117 H LYS 117 -1.337 10.347 -12.163 452 HA LYS 117 HA LYS 117 -3.398 8.072 -12.437 453 1HB LYS 117 1HB LYS 117 -1.202 9.030 -14.349 454 2HB LYS 117 2HB LYS 117 -1.692 7.356 -14.329 455 1HG LYS 117 1HG LYS 117 -2.885 8.479 -16.089 456 2HG LYS 117 2HG LYS 117 -4.000 7.863 -14.893 457 1HD LYS 117 1HD LYS 117 -4.787 10.020 -15.676 458 2HD LYS 117 2HD LYS 117 -4.395 10.128 -13.980 459 1HE LYS 117 1HE LYS 117 -3.676 12.180 -15.076 460 2HE LYS 117 2HE LYS 117 -2.241 11.338 -14.520 461 1HZ LYS 117 1HZ LYS 117 -3.261 11.329 -17.323 462 2HZ LYS 117 2HZ LYS 117 -1.961 12.182 -16.765 463 3HZ LYS 117 3HZ LYS 117 -1.908 10.531 -16.813 464 H TYR 118 H TYR 118 -2.977 6.882 -10.763 465 HA TYR 118 HA TYR 118 -0.362 6.789 -9.380 466 1HB TYR 118 1HB TYR 118 -2.914 5.206 -8.687 467 2HB TYR 118 2HB TYR 118 -1.538 5.455 -7.662 468 HD1 TYR 118 HD1 TYR 118 -1.057 7.822 -6.714 469 HD2 TYR 118 HD2 TYR 118 -4.617 6.935 -8.951 470 HE1 TYR 118 HE1 TYR 118 -2.080 9.916 -5.941 471 HE2 TYR 118 HE2 TYR 118 -5.623 9.044 -8.183 472 HH TYR 118 HH TYR 118 -5.345 10.884 -6.965 473 H PHE 119 H PHE 119 1.178 5.587 -10.359 474 HA PHE 119 HA PHE 119 0.541 2.807 -11.445 475 1HB PHE 119 1HB PHE 119 2.287 2.864 -12.951 476 2HB PHE 119 2HB PHE 119 1.362 4.309 -13.173 477 HD1 PHE 119 HD2 PHE 119 2.338 6.576 -12.334 478 HD2 PHE 119 HD1 PHE 119 4.685 2.979 -12.545 479 HE1 PHE 119 HE2 PHE 119 4.401 7.915 -12.375 480 HE2 PHE 119 HE1 PHE 119 6.738 4.338 -12.594 481 HZ PHE 119 HZ PHE 119 6.602 6.803 -12.526 482 H LEU 120 H LEU 120 0.966 1.325 -10.100 483 HA LEU 120 HA LEU 120 3.265 1.507 -8.087 484 1HB LEU 120 1HB LEU 120 0.885 1.279 -7.244 485 2HB LEU 120 2HB LEU 120 0.735 -0.265 -8.044 486 HG LEU 120 HG LEU 120 1.013 -0.349 -5.608 487 1HD1 LEU 120 2HD1 LEU 120 1.691 -2.366 -6.918 488 2HD1 LEU 120 3HD1 LEU 120 3.383 -1.809 -6.915 489 3HD1 LEU 120 1HD1 LEU 120 2.576 -2.211 -5.387 490 1HD2 LEU 120 1HD2 LEU 120 2.633 1.608 -5.378 491 2HD2 LEU 120 2HD2 LEU 120 2.994 0.205 -4.378 492 3HD2 LEU 120 3HD2 LEU 120 3.950 0.517 -5.853 493 H TRP 121 H TRP 121 1.632 -0.805 -10.318 494 HA TRP 121 HA TRP 121 4.195 -2.504 -10.552 495 1HB TRP 121 1HB TRP 121 2.716 -3.482 -8.834 496 2HB TRP 121 2HB TRP 121 1.335 -3.411 -9.901 497 HD1 TRP 121 HD1 TRP 121 4.704 -5.358 -9.496 498 HE1 TRP 121 HE1 TRP 121 4.398 -7.856 -10.336 499 HE3 TRP 121 HE3 TRP 121 0.133 -4.678 -11.643 500 HZ2 TRP 121 HZ2 TRP 121 2.234 -9.215 -11.678 501 HZ3 TRP 121 HZ3 TRP 121 -0.985 -6.588 -12.725 502 HH2 TRP 121 HH2 TRP 121 0.044 -8.824 -12.731 503 H VAL 122 H VAL 122 4.675 -2.153 -12.627 504 HA VAL 122 HA VAL 122 4.670 -2.350 -14.921 505 HB VAL 122 HB VAL 122 2.370 -4.245 -14.648 506 1HG1 VAL 122 3HG2 VAL 122 2.742 -3.618 -17.046 507 2HG1 VAL 122 1HG2 VAL 122 4.468 -4.022 -16.902 508 3HG1 VAL 122 2HG2 VAL 122 3.228 -5.295 -16.765 509 1HG2 VAL 122 2HG1 VAL 122 4.237 -5.018 -13.184 510 2HG2 VAL 122 3HG1 VAL 122 4.075 -6.086 -14.582 511 3HG2 VAL 122 1HG1 VAL 122 5.387 -4.879 -14.534 512 H VAL 123 H VAL 123 1.155 -2.536 -15.006 513 HA VAL 123 HA VAL 123 1.025 -0.157 -16.802 514 HB VAL 123 HB VAL 123 -0.261 -2.275 -17.190 515 1HG1 VAL 123 3HG1 VAL 123 -1.080 -2.804 -14.862 516 2HG1 VAL 123 1HG1 VAL 123 -2.176 -1.405 -14.932 517 3HG1 VAL 123 2HG1 VAL 123 -2.397 -2.773 -16.049 518 1HG2 VAL 123 3HG2 VAL 123 -0.899 -0.160 -18.347 519 2HG2 VAL 123 1HG2 VAL 123 -2.271 -1.259 -18.107 520 3HG2 VAL 123 2HG2 VAL 123 -2.099 0.178 -17.075 521 H LYS 124 H LYS 124 -0.305 1.676 -16.450 522 HA LYS 124 HA LYS 124 -0.264 2.735 -13.650 523 1HB LYS 124 1HB LYS 124 -0.852 4.888 -14.513 524 2HB LYS 124 2HB LYS 124 0.482 4.217 -15.420 525 1HG LYS 124 1HG LYS 124 -1.126 3.628 -17.319 526 2HG LYS 124 2HG LYS 124 -2.450 4.340 -16.392 527 1HD LYS 124 1HD LYS 124 -1.209 6.547 -16.344 528 2HD LYS 124 2HD LYS 124 0.079 5.864 -17.315 529 1HE LYS 124 1HE LYS 124 -2.884 6.105 -18.212 530 2HE LYS 124 2HE LYS 124 -1.627 7.284 -18.580 531 1HZ LYS 124 3HZ LYS 124 -0.417 5.563 -19.807 532 2HZ LYS 124 1HZ LYS 124 -1.585 4.444 -19.473 533 3HZ LYS 124 2HZ LYS 124 -1.942 5.755 -20.414 534 H PHE 125 H PHE 125 -1.987 3.533 -12.521 535 HA PHE 125 HA PHE 125 -4.725 2.235 -13.098 536 1HB PHE 125 1HB PHE 125 -3.404 2.273 -10.319 537 2HB PHE 125 2HB PHE 125 -4.963 1.632 -10.725 538 HD1 PHE 125 HD1 PHE 125 -5.119 -0.478 -12.232 539 HD2 PHE 125 HD2 PHE 125 -1.362 0.930 -10.674 540 HE1 PHE 125 HE1 PHE 125 -4.106 -2.677 -12.650 541 HE2 PHE 125 HE2 PHE 125 -0.384 -1.291 -11.047 542 HZ PHE 125 HZ PHE 125 -1.744 -3.095 -12.048 543 H ASN 126 H ASN 126 -5.933 3.941 -13.493 544 HA ASN 126 HA ASN 126 -5.334 6.612 -13.070 545 1HB ASN 126 1HB ASN 126 -7.052 5.608 -14.660 546 2HB ASN 126 2HB ASN 126 -8.202 5.551 -13.346 547 1HD2 ASN 126 1HD2 ASN 126 -7.495 9.138 -15.234 548 2HD2 ASN 126 2HD2 ASN 126 -6.470 7.651 -15.561 549 H SER 127 H SER 127 -7.621 4.936 -10.844 550 HA SER 127 HA SER 127 -7.289 7.281 -8.886 551 1HB SER 127 1HB SER 127 -9.479 6.768 -7.955 552 2HB SER 127 2HB SER 127 -9.622 7.047 -9.686 553 HG SER 127 HG SER 127 -10.781 5.239 -8.979 554 H LEU 128 H LEU 128 -7.272 6.780 -6.651 555 HA LEU 128 HA LEU 128 -5.584 4.480 -5.844 556 1HB LEU 128 1HB LEU 128 -7.111 6.498 -4.119 557 2HB LEU 128 2HB LEU 128 -6.078 5.249 -3.455 558 HG LEU 128 HG LEU 128 -5.018 7.382 -5.373 559 1HD1 LEU 128 1HD1 LEU 128 -5.912 8.461 -3.298 560 2HD1 LEU 128 2HD1 LEU 128 -4.907 7.388 -2.289 561 3HD1 LEU 128 3HD1 LEU 128 -4.146 8.568 -3.386 562 1HD2 LEU 128 2HD2 LEU 128 -3.534 5.409 -3.502 563 2HD2 LEU 128 3HD2 LEU 128 -3.528 5.389 -5.284 564 3HD2 LEU 128 1HD2 LEU 128 -2.763 6.728 -4.416 565 H ASN 129 H ASN 129 -9.118 5.004 -5.676 566 HA ASN 129 HA ASN 129 -9.716 2.579 -4.122 567 1HB ASN 129 1HB ASN 129 -11.269 4.537 -4.394 568 2HB ASN 129 2HB ASN 129 -11.594 4.048 -6.043 569 1HD2 ASN 129 1HD2 ASN 129 -13.880 1.453 -4.936 570 2HD2 ASN 129 2HD2 ASN 129 -12.959 2.215 -6.330 571 H GLU 130 H GLU 130 -9.665 3.149 -7.728 572 HA GLU 130 HA GLU 130 -10.104 0.423 -8.562 573 1HB GLU 130 1HB GLU 130 -10.242 2.537 -9.934 574 2HB GLU 130 2HB GLU 130 -8.497 2.668 -9.958 575 1HG GLU 130 1HG GLU 130 -10.060 0.237 -11.049 576 2HG GLU 130 2HG GLU 130 -9.776 1.695 -11.989 577 H LEU 131 H LEU 131 -6.972 2.076 -7.922 578 HA LEU 131 HA LEU 131 -5.152 -0.111 -8.406 579 1HB LEU 131 1HB LEU 131 -4.444 2.245 -8.083 580 2HB LEU 131 2HB LEU 131 -5.076 2.260 -6.451 581 HG LEU 131 HG LEU 131 -3.309 0.589 -5.740 582 1HD1 LEU 131 2HD1 LEU 131 -2.780 -0.373 -8.055 583 2HD1 LEU 131 3HD1 LEU 131 -1.972 1.168 -8.452 584 3HD1 LEU 131 1HD1 LEU 131 -1.359 0.143 -7.132 585 1HD2 LEU 131 1HD2 LEU 131 -3.039 3.016 -5.306 586 2HD2 LEU 131 2HD2 LEU 131 -1.470 2.268 -5.658 587 3HD2 LEU 131 3HD2 LEU 131 -2.283 3.251 -6.903 588 H VAL 132 H VAL 132 -6.691 0.721 -5.258 589 HA VAL 132 HA VAL 132 -5.419 -1.490 -3.855 590 HB VAL 132 HB VAL 132 -6.117 0.631 -2.779 591 1HG1 VAL 132 1HG2 VAL 132 -8.482 0.832 -3.680 592 2HG1 VAL 132 2HG2 VAL 132 -8.996 -0.471 -2.588 593 3HG1 VAL 132 3HG2 VAL 132 -8.348 1.050 -1.933 594 1HG2 VAL 132 2HG1 VAL 132 -5.469 -1.331 -1.422 595 2HG2 VAL 132 3HG1 VAL 132 -6.708 -0.355 -0.600 596 3HG2 VAL 132 1HG1 VAL 132 -7.157 -1.894 -1.373 597 H ASP 133 H ASP 133 -8.831 -1.259 -5.015 598 HA ASP 133 HA ASP 133 -9.506 -4.020 -4.238 599 1HB ASP 133 1HB ASP 133 -10.913 -2.263 -6.319 600 2HB ASP 133 2HB ASP 133 -11.500 -3.810 -5.723 601 H TYR 134 H TYR 134 -7.925 -2.796 -7.175 602 HA TYR 134 HA TYR 134 -8.033 -5.333 -8.700 603 1HB TYR 134 1HB TYR 134 -7.523 -3.184 -9.815 604 2HB TYR 134 2HB TYR 134 -6.100 -2.937 -8.838 605 HD1 TYR 134 HD1 TYR 134 -7.522 -4.927 -11.660 606 HD2 TYR 134 HD2 TYR 134 -3.993 -4.183 -9.312 607 HE1 TYR 134 HE1 TYR 134 -6.165 -6.175 -13.284 608 HE2 TYR 134 HE2 TYR 134 -2.654 -5.449 -10.928 609 HH TYR 134 HH TYR 134 -2.659 -6.606 -12.830 610 H HIS 135 H HIS 135 -5.467 -3.891 -6.593 611 HA HIS 135 HA HIS 135 -3.928 -6.419 -6.583 612 1HB HIS 135 1HB HIS 135 -3.486 -3.736 -5.162 613 2HB HIS 135 2HB HIS 135 -2.491 -5.120 -4.806 614 HD2 HIS 135 HD2 HIS 135 -1.730 -2.277 -6.510 615 HE1 HIS 135 HE1 HIS 135 -0.304 -5.072 -9.197 616 HE2 HIS 135 HE2 HIS 135 -0.185 -2.570 -8.627 617 H ARG 136 H ARG 136 -6.574 -5.674 -4.623 618 HA ARG 136 HA ARG 136 -5.792 -7.470 -2.360 619 1HB ARG 136 1HB ARG 136 -8.481 -6.343 -3.303 620 2HB ARG 136 2HB ARG 136 -8.384 -7.525 -2.009 621 1HG ARG 136 1HG ARG 136 -7.092 -6.104 -0.554 622 2HG ARG 136 2HG ARG 136 -6.636 -5.010 -1.832 623 1HD ARG 136 1HD ARG 136 -8.242 -3.914 -0.371 624 2HD ARG 136 2HD ARG 136 -8.888 -4.062 -1.988 625 HE ARG 136 HE ARG 136 -10.676 -5.358 -1.188 626 1HH1 ARG 136 1HH2 ARG 136 -9.311 -6.124 2.526 627 2HH1 ARG 136 2HH2 ARG 136 -8.168 -5.311 1.343 628 1HH2 ARG 136 1HH1 ARG 136 -11.886 -6.327 0.250 629 2HH2 ARG 136 2HH1 ARG 136 -11.272 -6.659 1.947 630 H SER 137 H SER 137 -6.712 -8.113 -5.620 631 HA SER 137 HA SER 137 -6.843 -11.087 -5.062 632 1HB SER 137 1HB SER 137 -7.856 -9.586 -7.554 633 2HB SER 137 2HB SER 137 -7.798 -11.343 -7.380 634 HG SER 137 HG SER 137 -9.199 -9.550 -5.689 635 H THR 138 H THR 138 -5.308 -8.609 -7.204 636 HA THR 138 HA THR 138 -3.316 -10.634 -8.260 637 HB THR 138 HB THR 138 -3.712 -7.641 -8.942 638 HG1 THR 138 HG1 THR 138 -4.693 -8.495 -10.776 639 1HG2 THR 138 3HG2 THR 138 -2.044 -9.775 -10.442 640 2HG2 THR 138 1HG2 THR 138 -2.508 -8.195 -11.112 641 3HG2 THR 138 2HG2 THR 138 -1.438 -8.269 -9.709 642 H SER 139 H SER 139 -1.045 -10.299 -8.167 643 HA SER 139 HA SER 139 -0.115 -9.494 -5.477 644 1HB SER 139 1HB SER 139 0.697 -11.559 -6.635 645 2HB SER 139 2HB SER 139 1.543 -10.571 -7.835 646 HG SER 139 HG SER 139 2.690 -9.623 -6.087 647 H VAL 140 H VAL 140 0.847 -7.671 -4.857 648 HA VAL 140 HA VAL 140 1.514 -5.401 -6.631 649 HB VAL 140 HB VAL 140 2.565 -4.437 -4.506 650 1HG1 VAL 140 2HG1 VAL 140 0.365 -3.755 -5.329 651 2HG1 VAL 140 3HG1 VAL 140 -0.401 -5.121 -4.471 652 3HG1 VAL 140 1HG1 VAL 140 0.369 -3.806 -3.566 653 1HG2 VAL 140 3HG2 VAL 140 2.945 -6.466 -3.114 654 2HG2 VAL 140 1HG2 VAL 140 1.918 -5.281 -2.290 655 3HG2 VAL 140 2HG2 VAL 140 1.190 -6.735 -3.002 656 H SER 141 H SER 141 3.514 -7.859 -4.933 657 HA SER 141 HA SER 141 6.073 -6.761 -6.090 658 1HB SER 141 1HB SER 141 6.009 -7.776 -3.768 659 2HB SER 141 2HB SER 141 5.578 -9.334 -4.452 660 HG SER 141 HG SER 141 7.521 -9.229 -5.674 661 H ARG 142 H ARG 142 7.010 -7.514 -7.900 662 HA ARG 142 HA ARG 142 5.610 -9.387 -9.722 663 1HB ARG 142 1HB ARG 142 7.313 -9.000 -11.368 664 2HB ARG 142 2HB ARG 142 6.688 -7.507 -10.709 665 1HG ARG 142 1HG ARG 142 8.790 -7.287 -9.268 666 2HG ARG 142 2HG ARG 142 9.422 -8.757 -10.015 667 1HD ARG 142 1HD ARG 142 9.318 -7.663 -12.293 668 2HD ARG 142 2HD ARG 142 8.669 -6.184 -11.556 669 HE ARG 142 HE ARG 142 11.153 -6.825 -10.176 670 1HH1 ARG 142 2HH2 ARG 142 10.114 -5.747 -13.403 671 2HH1 ARG 142 1HH2 ARG 142 11.734 -4.926 -13.665 672 1HH2 ARG 142 1HH1 ARG 142 12.958 -5.857 -10.583 673 2HH2 ARG 142 2HH1 ARG 142 13.234 -4.986 -12.174 674 H ASN 143 H ASN 143 8.638 -9.747 -7.835 675 HA ASN 143 HA ASN 143 8.957 -12.616 -8.673 676 1HB ASN 143 1HB ASN 143 10.519 -11.004 -6.565 677 2HB ASN 143 2HB ASN 143 10.850 -12.664 -6.998 678 1HD2 ASN 143 1HD2 ASN 143 12.455 -9.816 -9.371 679 2HD2 ASN 143 2HD2 ASN 143 11.531 -9.447 -7.830 680 H GLN 144 H GLN 144 8.269 -11.037 -5.489 681 HA GLN 144 HA GLN 144 7.447 -13.636 -4.253 682 1HB GLN 144 1HB GLN 144 7.210 -10.750 -3.179 683 2HB GLN 144 2HB GLN 144 6.816 -12.195 -2.266 684 1HG GLN 144 1HG GLN 144 9.201 -13.003 -2.439 685 2HG GLN 144 2HG GLN 144 9.628 -11.553 -3.336 686 1HE2 GLN 144 2HE2 GLN 144 9.335 -11.258 0.727 687 2HE2 GLN 144 1HE2 GLN 144 9.037 -12.825 -0.181 688 H GLN 145 H GLN 145 5.397 -14.121 -3.431 689 HA GLN 145 HA GLN 145 2.980 -12.907 -4.873 690 1HB GLN 145 1HB GLN 145 3.278 -15.515 -3.274 691 2HB GLN 145 2HB GLN 145 1.734 -14.846 -3.758 692 1HG GLN 145 1HG GLN 145 2.443 -14.893 -6.192 693 2HG GLN 145 2HG GLN 145 3.969 -15.632 -5.733 694 1HE2 GLN 145 2HE2 GLN 145 2.461 -18.903 -5.338 695 2HE2 GLN 145 1HE2 GLN 145 3.948 -17.851 -5.113 696 H ILE 146 H ILE 146 2.704 -11.025 -3.829 697 HA ILE 146 HA ILE 146 2.152 -11.043 -0.803 698 HB ILE 146 HB ILE 146 3.059 -8.616 -2.411 699 1HG1 ILE 146 1HG1 ILE 146 4.954 -10.087 -2.382 700 2HG1 ILE 146 2HG1 ILE 146 5.235 -8.682 -1.378 701 1HG2 ILE 146 2HG2 ILE 146 1.692 -8.002 -0.415 702 2HG2 ILE 146 3HG2 ILE 146 2.749 -8.954 0.642 703 3HG2 ILE 146 1HG2 ILE 146 3.378 -7.511 -0.179 704 1HD1 ILE 146 3HD1 ILE 146 4.627 -11.524 -0.345 705 2HD1 ILE 146 1HD1 ILE 146 6.205 -10.700 -0.349 706 3HD1 ILE 146 2HD1 ILE 146 4.899 -10.096 0.695 707 H PHE 147 H PHE 147 0.104 -11.068 -0.578 708 HA PHE 147 HA PHE 147 -1.807 -9.709 -2.588 709 1HB PHE 147 1HB PHE 147 -2.355 -12.251 -0.950 710 2HB PHE 147 2HB PHE 147 -3.531 -11.420 -1.935 711 HD1 PHE 147 HD2 PHE 147 -2.807 -10.969 -4.515 712 HD2 PHE 147 HD1 PHE 147 -1.163 -14.064 -2.015 713 HE1 PHE 147 HE2 PHE 147 -2.150 -12.250 -6.511 714 HE2 PHE 147 HE1 PHE 147 -0.543 -15.337 -4.028 715 HZ PHE 147 HZ PHE 147 -1.008 -14.428 -6.271 716 H LEU 148 H LEU 148 -3.036 -8.203 -1.870 717 HA LEU 148 HA LEU 148 -2.691 -7.130 0.838 718 1HB LEU 148 1HB LEU 148 -4.173 -6.222 -1.681 719 2HB LEU 148 2HB LEU 148 -4.552 -5.443 -0.187 720 HG LEU 148 HG LEU 148 -2.231 -4.697 0.150 721 1HD1 LEU 148 3HD1 LEU 148 -1.569 -6.009 -2.567 722 2HD1 LEU 148 1HD1 LEU 148 -0.517 -4.884 -1.664 723 3HD1 LEU 148 2HD1 LEU 148 -0.897 -6.467 -0.982 724 1HD2 LEU 148 2HD2 LEU 148 -3.857 -3.254 -1.073 725 2HD2 LEU 148 3HD2 LEU 148 -2.237 -3.026 -1.750 726 3HD2 LEU 148 1HD2 LEU 148 -3.427 -4.014 -2.623 727 H ARG 149 H ARG 149 -3.850 -7.392 2.570 728 HA ARG 149 HA ARG 149 -6.780 -8.268 2.482 729 1HB ARG 149 1HB ARG 149 -4.627 -9.296 4.457 730 2HB ARG 149 2HB ARG 149 -6.336 -9.621 4.578 731 1HG ARG 149 1HG ARG 149 -4.397 -10.709 2.493 732 2HG ARG 149 2HG ARG 149 -5.287 -11.584 3.718 733 1HD ARG 149 1HD ARG 149 -6.320 -10.426 1.082 734 2HD ARG 149 2HD ARG 149 -6.273 -12.098 1.576 735 HE ARG 149 HE ARG 149 -8.085 -11.469 3.384 736 1HH1 ARG 149 2HH2 ARG 149 -7.887 -9.732 0.281 737 2HH1 ARG 149 1HH2 ARG 149 -9.662 -9.285 0.412 738 1HH2 ARG 149 1HH1 ARG 149 -10.084 -10.900 3.420 739 2HH2 ARG 149 2HH1 ARG 149 -10.816 -9.901 2.066 740 H ASP 150 H ASP 150 -7.949 -7.781 4.443 741 HA ASP 150 HA ASP 150 -7.527 -4.946 5.171 742 1HB ASP 150 1HB ASP 150 -9.768 -6.150 4.639 743 2HB ASP 150 2HB ASP 150 -9.660 -6.988 6.172 744 H ILE 151 H ILE 151 -7.299 -4.022 7.132 745 HA ILE 151 HA ILE 151 -5.440 -5.308 9.015 746 HB ILE 151 HB ILE 151 -5.518 -3.148 10.295 747 1HG1 ILE 151 1HG1 ILE 151 -7.313 -1.999 8.082 748 2HG1 ILE 151 2HG1 ILE 151 -7.934 -2.502 9.643 749 1HG2 ILE 151 3HG2 ILE 151 -3.833 -3.550 8.538 750 2HG2 ILE 151 1HG2 ILE 151 -4.925 -2.894 7.301 751 3HG2 ILE 151 2HG2 ILE 151 -4.274 -1.837 8.580 752 1HD1 ILE 151 1HD1 ILE 151 -6.443 -0.832 10.820 753 2HD1 ILE 151 2HD1 ILE 151 -5.844 -0.271 9.237 754 3HD1 ILE 151 3HD1 ILE 151 -7.558 -0.069 9.660 755 H GLU 152 H GLU 152 -5.594 -5.201 11.329 756 HA GLU 152 HA GLU 152 -8.088 -6.693 12.251 757 1HB GLU 152 1HB GLU 152 -5.801 -7.735 12.495 758 2HB GLU 152 2HB GLU 152 -5.317 -6.434 13.575 759 1HG GLU 152 1HG GLU 152 -7.102 -7.138 15.225 760 2HG GLU 152 2HG GLU 152 -7.630 -8.404 14.118 761 HXT GLU 152 HO OH 153 -9.476 -5.433 12.890 No H/Q in entry = 761 Start of MODEL 12 1 1H GLY 58 1H GLY 58 -9.775 7.099 5.138 2 2H GLY 58 2H GLY 58 -10.267 7.703 6.575 3 1HA GLY 58 1HA GLY 58 -12.097 6.144 6.731 4 2HA GLY 58 2HA GLY 58 -12.180 7.132 5.273 5 H SER 59 H SER 59 -11.822 3.964 6.504 6 HA SER 59 HA SER 59 -11.849 1.839 5.604 7 1HB SER 59 1HB SER 59 -13.707 2.591 4.136 8 2HB SER 59 2HB SER 59 -12.558 3.004 2.858 9 HG SER 59 HG SER 59 -12.887 0.460 4.078 10 H TRP 60 H TRP 60 -9.988 0.796 5.602 11 HA TRP 60 HA TRP 60 -7.669 0.539 5.578 12 1HB TRP 60 1HB TRP 60 -6.858 -0.315 3.374 13 2HB TRP 60 2HB TRP 60 -8.272 -1.028 4.060 14 HD1 TRP 60 HD1 TRP 60 -10.422 -1.132 2.717 15 HE1 TRP 60 HE1 TRP 60 -11.384 -0.315 0.386 16 HE3 TRP 60 HE3 TRP 60 -6.665 2.111 1.701 17 HZ2 TRP 60 HZ2 TRP 60 -10.509 1.710 -1.488 18 HZ3 TRP 60 HZ3 TRP 60 -6.955 3.691 -0.159 19 HH2 TRP 60 HH2 TRP 60 -8.859 3.493 -1.690 20 H PHE 61 H PHE 61 -8.180 3.532 5.232 21 HA PHE 61 HA PHE 61 -5.417 4.316 4.119 22 1HB PHE 61 1HB PHE 61 -7.349 4.855 2.611 23 2HB PHE 61 2HB PHE 61 -8.139 5.764 3.872 24 HD1 PHE 61 HD2 PHE 61 -5.278 5.753 1.471 25 HD2 PHE 61 HD1 PHE 61 -7.313 8.041 4.494 26 HE1 PHE 61 HE2 PHE 61 -3.999 7.754 0.835 27 HE2 PHE 61 HE1 PHE 61 -6.030 10.032 3.838 28 HZ PHE 61 HZ PHE 61 -4.360 9.894 2.030 29 H PHE 62 H PHE 62 -4.206 5.479 5.427 30 HA PHE 62 HA PHE 62 -5.323 6.715 8.010 31 1HB PHE 62 1HB PHE 62 -2.528 5.727 7.377 32 2HB PHE 62 2HB PHE 62 -2.814 6.937 8.588 33 HD1 PHE 62 HD1 PHE 62 -4.639 3.625 7.805 34 HD2 PHE 62 HD2 PHE 62 -2.602 6.056 10.722 35 HE1 PHE 62 HE1 PHE 62 -5.010 1.909 9.508 36 HE2 PHE 62 HE2 PHE 62 -2.978 4.315 12.410 37 HZ PHE 62 HZ PHE 62 -4.179 2.240 11.812 38 H GLY 63 H GLY 63 -2.541 7.643 5.906 39 1HA GLY 63 1HA GLY 63 -2.521 9.680 4.502 40 2HA GLY 63 2HA GLY 63 -3.870 10.352 5.381 41 H LYS 64 H LYS 64 -0.617 10.536 4.995 42 HA LYS 64 HA LYS 64 1.120 11.694 5.984 43 1HB LYS 64 1HB LYS 64 -1.058 13.258 7.448 44 2HB LYS 64 2HB LYS 64 0.620 13.729 7.410 45 1HG LYS 64 1HG LYS 64 -1.138 13.511 4.894 46 2HG LYS 64 2HG LYS 64 -0.851 14.971 5.825 47 1HD LYS 64 1HD LYS 64 1.665 14.735 5.369 48 2HD LYS 64 2HD LYS 64 1.304 13.370 4.308 49 1HE LYS 64 1HE LYS 64 -0.156 14.889 2.873 50 2HE LYS 64 2HE LYS 64 0.215 16.247 3.937 51 1HZ LYS 64 3HZ LYS 64 2.215 14.721 2.343 52 2HZ LYS 64 1HZ LYS 64 1.635 16.227 1.991 53 3HZ LYS 64 2HZ LYS 64 2.565 15.994 3.336 54 H ILE 65 H ILE 65 0.328 9.139 7.486 55 HA ILE 65 HA ILE 65 1.685 9.659 10.075 56 HB ILE 65 HB ILE 65 -0.210 8.144 9.944 57 1HG1 ILE 65 1HG1 ILE 65 2.356 6.566 10.553 58 2HG1 ILE 65 2HG1 ILE 65 1.645 7.783 11.607 59 1HG2 ILE 65 2HG2 ILE 65 -0.007 7.235 7.584 60 2HG2 ILE 65 3HG2 ILE 65 1.351 6.210 8.112 61 3HG2 ILE 65 1HG2 ILE 65 -0.280 5.972 8.777 62 1HD1 ILE 65 2HD1 ILE 65 -0.498 6.441 11.721 63 2HD1 ILE 65 3HD1 ILE 65 0.295 5.151 10.771 64 3HD1 ILE 65 1HD1 ILE 65 0.933 5.584 12.379 65 HA PRO 66 HA PRO 66 5.644 9.083 7.732 66 1HB PRO 66 1HB PRO 66 7.475 8.956 9.840 67 2HB PRO 66 2HB PRO 66 6.679 10.435 9.286 68 1HG PRO 66 1HG PRO 66 5.873 8.649 11.628 69 2HG PRO 66 2HG PRO 66 6.052 10.419 11.619 70 1HD PRO 66 1HD PRO 66 3.584 9.214 11.346 71 2HD PRO 66 2HD PRO 66 3.954 10.728 10.468 72 H ARG 67 H ARG 67 7.520 7.546 7.620 73 HA ARG 67 HA ARG 67 6.564 4.879 7.174 74 1HB ARG 67 1HB ARG 67 8.461 6.040 6.023 75 2HB ARG 67 2HB ARG 67 9.502 5.796 7.401 76 1HG ARG 67 1HG ARG 67 9.620 3.427 7.091 77 2HG ARG 67 2HG ARG 67 8.181 3.342 6.108 78 1HD ARG 67 1HD ARG 67 10.801 4.690 5.170 79 2HD ARG 67 2HD ARG 67 10.373 3.000 4.868 80 HE ARG 67 HE ARG 67 8.182 4.719 3.922 81 1HH1 ARG 67 2HH2 ARG 67 11.465 3.719 2.996 82 2HH1 ARG 67 1HH2 ARG 67 11.071 4.022 1.230 83 1HH2 ARG 67 1HH1 ARG 67 7.844 5.028 1.891 84 2HH2 ARG 67 2HH1 ARG 67 9.157 4.714 0.648 85 H ALA 68 H ALA 68 8.497 5.968 9.906 86 HA ALA 68 HA ALA 68 8.818 3.290 11.177 87 1HB ALA 68 2HB ALA 68 10.460 5.091 11.654 88 2HB ALA 68 3HB ALA 68 9.203 6.073 12.449 89 3HB ALA 68 1HB ALA 68 9.707 4.518 13.153 90 H LYS 69 H LYS 69 6.558 6.023 11.900 91 HA LYS 69 HA LYS 69 5.004 4.520 13.922 92 1HB LYS 69 1HB LYS 69 4.235 6.982 12.249 93 2HB LYS 69 2HB LYS 69 3.168 6.247 13.431 94 1HG LYS 69 1HG LYS 69 4.814 6.641 15.277 95 2HG LYS 69 2HG LYS 69 5.946 7.348 14.135 96 1HD LYS 69 1HD LYS 69 4.865 9.141 15.307 97 2HD LYS 69 2HD LYS 69 4.359 9.211 13.627 98 1HE LYS 69 1HE LYS 69 2.132 8.142 14.245 99 2HE LYS 69 2HE LYS 69 2.659 8.018 15.930 100 1HZ LYS 69 3HZ LYS 69 2.839 10.455 15.981 101 2HZ LYS 69 1HZ LYS 69 2.346 10.562 14.408 102 3HZ LYS 69 2HZ LYS 69 1.311 9.987 15.560 103 H ALA 70 H ALA 70 4.739 4.630 10.390 104 HA ALA 70 HA ALA 70 2.151 3.167 10.187 105 1HB ALA 70 3HB ALA 70 4.438 3.510 8.151 106 2HB ALA 70 1HB ALA 70 2.854 2.784 7.793 107 3HB ALA 70 2HB ALA 70 2.958 4.489 8.277 108 H GLU 71 H GLU 71 5.564 2.117 10.179 109 HA GLU 71 HA GLU 71 5.100 -0.780 10.013 110 1HB GLU 71 1HB GLU 71 7.453 0.845 11.163 111 2HB GLU 71 2HB GLU 71 7.464 -0.906 11.059 112 1HG GLU 71 1HG GLU 71 7.301 -0.873 8.595 113 2HG GLU 71 2HG GLU 71 7.071 0.861 8.568 114 H GLU 72 H GLU 72 5.433 1.360 12.908 115 HA GLU 72 HA GLU 72 5.098 -0.761 14.877 116 1HB GLU 72 1HB GLU 72 4.592 2.258 15.140 117 2HB GLU 72 2HB GLU 72 4.489 1.154 16.491 118 1HG GLU 72 1HG GLU 72 7.052 1.635 14.847 119 2HG GLU 72 2HG GLU 72 6.657 2.398 16.374 120 H MET 73 H MET 73 2.592 1.431 13.492 121 HA MET 73 HA MET 73 0.330 0.302 14.985 122 1HB MET 73 1HB MET 73 0.497 1.931 12.388 123 2HB MET 73 2HB MET 73 -1.022 1.223 12.883 124 1HG MET 73 1HG MET 73 -0.966 3.506 13.654 125 2HG MET 73 2HG MET 73 -1.014 2.434 15.051 126 1HE MET 73 2HE MET 73 0.233 3.411 17.083 127 2HE MET 73 1HE MET 73 1.226 1.983 16.655 128 3HE MET 73 3HE MET 73 2.019 3.529 17.074 129 H LEU 74 H LEU 74 1.623 -0.638 11.765 130 HA LEU 74 HA LEU 74 -0.248 -2.944 11.488 131 1HB LEU 74 1HB LEU 74 2.381 -2.320 10.026 132 2HB LEU 74 2HB LEU 74 1.349 -3.675 9.623 133 HG LEU 74 HG LEU 74 0.435 -0.750 9.474 134 1HD1 LEU 74 3HD1 LEU 74 1.390 -2.617 7.220 135 2HD1 LEU 74 1HD1 LEU 74 0.657 -1.008 7.005 136 3HD1 LEU 74 2HD1 LEU 74 2.213 -1.153 7.830 137 1HD2 LEU 74 2HD2 LEU 74 -0.955 -3.328 8.479 138 2HD2 LEU 74 3HD2 LEU 74 -1.534 -2.237 9.757 139 3HD2 LEU 74 1HD2 LEU 74 -1.479 -1.672 8.082 140 H SER 75 H SER 75 2.818 -2.668 13.215 141 HA SER 75 HA SER 75 3.734 -5.341 13.150 142 1HB SER 75 1HB SER 75 4.928 -3.396 14.221 143 2HB SER 75 2HB SER 75 3.847 -3.497 15.615 144 HG SER 75 HG SER 75 5.539 -5.552 14.620 145 H LYS 76 H LYS 76 1.059 -4.192 15.223 146 HA LYS 76 HA LYS 76 0.680 -6.722 16.720 147 1HB LYS 76 1HB LYS 76 -1.274 -4.385 16.219 148 2HB LYS 76 2HB LYS 76 -1.671 -5.799 17.156 149 1HG LYS 76 1HG LYS 76 -1.122 -4.356 18.836 150 2HG LYS 76 2HG LYS 76 0.319 -5.332 18.703 151 1HD LYS 76 1HD LYS 76 0.982 -3.067 19.086 152 2HD LYS 76 2HD LYS 76 1.472 -3.438 17.443 153 1HE LYS 76 1HE LYS 76 -0.494 -2.156 16.526 154 2HE LYS 76 2HE LYS 76 -1.135 -1.912 18.157 155 1HZ LYS 76 1HZ LYS 76 0.868 -0.631 18.694 156 2HZ LYS 76 2HZ LYS 76 1.467 -0.852 17.170 157 3HZ LYS 76 3HZ LYS 76 0.083 0.022 17.394 158 H GLN 77 H GLN 77 -0.437 -5.729 13.503 159 HA GLN 77 HA GLN 77 -2.562 -7.763 13.254 160 1HB GLN 77 1HB GLN 77 -1.158 -5.945 11.212 161 2HB GLN 77 2HB GLN 77 -2.129 -7.283 10.667 162 1HG GLN 77 1HG GLN 77 -3.542 -5.402 10.607 163 2HG GLN 77 2HG GLN 77 -4.128 -6.488 11.835 164 1HE2 GLN 77 2HE2 GLN 77 -3.265 -2.660 12.881 165 2HE2 GLN 77 1HE2 GLN 77 -2.938 -3.310 11.198 166 H ARG 78 H ARG 78 -2.173 -9.751 13.305 167 HA ARG 78 HA ARG 78 0.286 -11.192 12.438 168 1HB ARG 78 1HB ARG 78 -0.906 -13.234 13.080 169 2HB ARG 78 2HB ARG 78 -0.920 -12.051 14.345 170 1HG ARG 78 1HG ARG 78 -3.378 -12.323 12.488 171 2HG ARG 78 2HG ARG 78 -3.075 -13.516 13.740 172 1HD ARG 78 1HD ARG 78 -3.059 -11.681 15.502 173 2HD ARG 78 2HD ARG 78 -3.478 -10.497 14.252 174 HE ARG 78 HE ARG 78 -5.454 -12.582 14.039 175 1HH1 ARG 78 2HH2 ARG 78 -4.463 -10.203 16.489 176 2HH1 ARG 78 1HH2 ARG 78 -6.157 -10.204 17.195 177 1HH2 ARG 78 1HH1 ARG 78 -7.343 -12.504 14.922 178 2HH2 ARG 78 2HH1 ARG 78 -7.676 -11.420 16.365 179 H HIS 79 H HIS 79 -2.296 -10.106 10.513 180 HA HIS 79 HA HIS 79 -2.537 -12.513 8.794 181 1HB HIS 79 1HB HIS 79 -3.752 -9.756 8.198 182 2HB HIS 79 2HB HIS 79 -4.248 -11.297 7.556 183 HD2 HIS 79 HD2 HIS 79 -5.335 -13.120 9.533 184 HE1 HIS 79 HE1 HIS 79 -6.302 -10.139 12.257 185 HE2 HIS 79 HE2 HIS 79 -6.706 -12.626 11.750 186 H ASP 80 H ASP 80 -1.782 -12.850 6.796 187 HA ASP 80 HA ASP 80 0.348 -11.113 5.629 188 1HB ASP 80 1HB ASP 80 0.693 -12.744 3.910 189 2HB ASP 80 2HB ASP 80 0.686 -13.503 5.477 190 H GLY 81 H GLY 81 -0.033 -9.418 4.346 191 1HA GLY 81 1HA GLY 81 -1.218 -8.361 2.400 192 2HA GLY 81 2HA GLY 81 -2.704 -9.158 2.851 193 H ALA 82 H ALA 82 -1.911 -8.300 5.865 194 HA ALA 82 HA ALA 82 -3.862 -6.226 5.991 195 1HB ALA 82 1HB ALA 82 -1.713 -6.905 8.088 196 2HB ALA 82 2HB ALA 82 -3.149 -5.891 8.370 197 3HB ALA 82 3HB ALA 82 -3.351 -7.595 7.946 198 H PHE 83 H PHE 83 -3.698 -4.273 5.082 199 HA PHE 83 HA PHE 83 -1.003 -2.825 5.049 200 1HB PHE 83 1HB PHE 83 -1.261 -2.235 2.828 201 2HB PHE 83 2HB PHE 83 -1.681 -3.902 2.892 202 HD1 PHE 83 HD1 PHE 83 -4.088 -4.647 2.515 203 HD2 PHE 83 HD2 PHE 83 -2.990 -0.503 2.226 204 HE1 PHE 83 HE1 PHE 83 -6.277 -4.132 1.533 205 HE2 PHE 83 HE2 PHE 83 -5.160 -0.010 1.185 206 HZ PHE 83 HZ PHE 83 -6.822 -1.812 0.879 207 H LEU 84 H LEU 84 -0.939 -0.600 4.823 208 HA LEU 84 HA LEU 84 -3.455 1.017 5.104 209 1HB LEU 84 1HB LEU 84 -2.854 2.476 6.823 210 2HB LEU 84 2HB LEU 84 -2.787 0.848 7.419 211 HG LEU 84 HG LEU 84 -0.122 1.114 7.020 212 1HD1 LEU 84 2HD2 LEU 84 -1.000 4.063 7.371 213 2HD1 LEU 84 3HD2 LEU 84 0.662 3.472 7.530 214 3HD1 LEU 84 1HD2 LEU 84 -0.143 3.415 5.964 215 1HD2 LEU 84 2HD1 LEU 84 -1.299 0.768 9.257 216 2HD2 LEU 84 3HD1 LEU 84 0.129 1.815 9.372 217 3HD2 LEU 84 1HD1 LEU 84 -1.500 2.526 9.398 218 H ILE 85 H ILE 85 -3.467 2.485 3.532 219 HA ILE 85 HA ILE 85 -0.917 3.250 2.101 220 HB ILE 85 HB ILE 85 -3.841 3.969 1.563 221 1HG1 ILE 85 1HG1 ILE 85 -1.816 2.340 -0.105 222 2HG1 ILE 85 2HG1 ILE 85 -2.931 1.603 1.034 223 1HG2 ILE 85 3HG2 ILE 85 -2.424 5.935 0.858 224 2HG2 ILE 85 1HG2 ILE 85 -1.365 4.856 -0.077 225 3HG2 ILE 85 2HG2 ILE 85 -3.070 5.095 -0.547 226 1HD1 ILE 85 3HD1 ILE 85 -4.893 2.415 -0.233 227 2HD1 ILE 85 1HD1 ILE 85 -3.822 3.168 -1.451 228 3HD1 ILE 85 2HD1 ILE 85 -3.813 1.406 -1.222 229 H ARG 86 H ARG 86 0.271 4.639 3.129 230 HA ARG 86 HA ARG 86 -0.816 7.018 4.679 231 1HB ARG 86 1HB ARG 86 1.487 7.515 5.316 232 2HB ARG 86 2HB ARG 86 0.990 5.909 5.802 233 1HG ARG 86 1HG ARG 86 2.342 4.830 4.086 234 2HG ARG 86 2HG ARG 86 2.723 6.348 3.297 235 1HD ARG 86 1HD ARG 86 3.518 5.858 6.232 236 2HD ARG 86 2HD ARG 86 4.474 5.180 4.938 237 HE ARG 86 HE ARG 86 4.085 8.163 5.500 238 1HH1 ARG 86 2HH2 ARG 86 5.876 5.681 3.689 239 2HH1 ARG 86 1HH2 ARG 86 7.143 6.925 3.227 240 1HH2 ARG 86 1HH1 ARG 86 5.577 9.480 4.920 241 2HH2 ARG 86 2HH1 ARG 86 6.984 8.929 3.878 242 H GLU 87 H GLU 87 -0.549 9.087 3.998 243 HA GLU 87 HA GLU 87 0.175 9.630 1.103 244 1HB GLU 87 1HB GLU 87 -1.879 10.635 2.112 245 2HB GLU 87 2HB GLU 87 -0.903 11.550 3.255 246 1HG GLU 87 1HG GLU 87 0.140 12.854 1.426 247 2HG GLU 87 2HG GLU 87 -0.579 11.815 0.201 248 H SER 88 H SER 88 2.151 10.322 0.536 249 HA SER 88 HA SER 88 4.345 10.144 2.429 250 1HB SER 88 1HB SER 88 4.483 9.503 0.000 251 2HB SER 88 2HB SER 88 4.431 11.210 -0.459 252 HG SER 88 HG SER 88 6.342 9.963 1.233 253 H GLU 89 H GLU 89 5.236 11.625 3.667 254 HA GLU 89 HA GLU 89 4.186 14.455 3.621 255 1HB GLU 89 1HB GLU 89 4.926 14.755 5.837 256 2HB GLU 89 2HB GLU 89 3.764 13.460 5.584 257 1HG GLU 89 1HG GLU 89 5.733 11.758 5.796 258 2HG GLU 89 2HG GLU 89 6.762 13.107 6.269 259 H SER 90 H SER 90 5.153 15.236 2.103 260 HA SER 90 HA SER 90 7.508 16.779 1.962 261 1HB SER 90 1HB SER 90 8.929 14.682 2.027 262 2HB SER 90 2HB SER 90 8.075 14.041 0.621 263 HG SER 90 HG SER 90 8.799 15.902 -0.521 264 H ALA 91 H ALA 91 5.175 14.707 0.345 265 HA ALA 91 HA ALA 91 4.517 16.787 -1.670 266 1HB ALA 91 3HB ALA 91 5.632 14.150 -2.832 267 2HB ALA 91 1HB ALA 91 4.820 15.438 -3.756 268 3HB ALA 91 2HB ALA 91 6.374 15.763 -2.962 269 HA PRO 92 HA PRO 92 0.922 14.202 -0.361 270 1HB PRO 92 1HB PRO 92 -1.198 15.948 -0.937 271 2HB PRO 92 2HB PRO 92 -0.129 16.092 0.467 272 1HG PRO 92 1HG PRO 92 0.101 17.552 -2.210 273 2HG PRO 92 2HG PRO 92 0.202 18.248 -0.577 274 1HD PRO 92 1HD PRO 92 2.455 17.633 -2.060 275 2HD PRO 92 2HD PRO 92 2.460 17.464 -0.276 276 H GLY 93 H GLY 93 1.247 15.236 -3.588 277 1HA GLY 93 1HA GLY 93 -0.828 13.457 -4.833 278 2HA GLY 93 2HA GLY 93 0.522 14.194 -5.676 279 H ASP 94 H ASP 94 2.288 12.880 -3.440 280 HA ASP 94 HA ASP 94 2.649 10.165 -4.781 281 1HB ASP 94 1HB ASP 94 4.696 11.698 -4.526 282 2HB ASP 94 2HB ASP 94 4.540 11.578 -2.784 283 H PHE 95 H PHE 95 2.072 8.420 -3.668 284 HA PHE 95 HA PHE 95 1.452 8.516 -0.669 285 1HB PHE 95 1HB PHE 95 0.047 6.948 -2.947 286 2HB PHE 95 2HB PHE 95 -0.237 6.689 -1.263 287 HD1 PHE 95 HD1 PHE 95 -0.718 9.085 -4.064 288 HD2 PHE 95 HD2 PHE 95 -1.602 8.322 0.077 289 HE1 PHE 95 HE1 PHE 95 -2.366 10.914 -4.070 290 HE2 PHE 95 HE2 PHE 95 -3.252 10.151 0.042 291 HZ PHE 95 HZ PHE 95 -3.636 11.445 -2.020 292 H SER 96 H SER 96 1.523 6.219 0.223 293 HA SER 96 HA SER 96 3.569 4.399 -1.075 294 1HB SER 96 1HB SER 96 4.065 5.452 1.775 295 2HB SER 96 2HB SER 96 4.884 4.074 1.042 296 HG SER 96 HG SER 96 4.837 6.717 0.021 297 H LEU 97 H LEU 97 2.525 2.602 -1.165 298 HA LEU 97 HA LEU 97 0.336 1.704 0.691 299 1HB LEU 97 1HB LEU 97 0.197 1.327 -1.737 300 2HB LEU 97 2HB LEU 97 1.728 0.467 -1.758 301 HG LEU 97 HG LEU 97 0.624 -1.256 -0.190 302 1HD1 LEU 97 2HD1 LEU 97 -1.381 -0.030 0.520 303 2HD1 LEU 97 3HD1 LEU 97 -2.000 -0.010 -1.158 304 3HD1 LEU 97 1HD1 LEU 97 -1.826 -1.546 -0.274 305 1HD2 LEU 97 3HD2 LEU 97 1.137 -1.748 -2.578 306 2HD2 LEU 97 1HD2 LEU 97 -0.375 -2.531 -2.098 307 3HD2 LEU 97 2HD2 LEU 97 -0.425 -1.047 -3.083 308 H SER 98 H SER 98 0.867 0.897 2.546 309 HA SER 98 HA SER 98 3.624 -0.339 3.189 310 1HB SER 98 1HB SER 98 1.617 0.723 5.195 311 2HB SER 98 2HB SER 98 3.337 0.453 5.409 312 HG SER 98 HG SER 98 2.133 2.353 3.685 313 H VAL 99 H VAL 99 3.118 -2.509 2.436 314 HA VAL 99 HA VAL 99 0.636 -3.852 3.603 315 HB VAL 99 HB VAL 99 2.421 -5.096 1.428 316 1HG1 VAL 99 1HG1 VAL 99 -0.479 -5.685 2.302 317 2HG1 VAL 99 2HG1 VAL 99 0.322 -6.439 0.920 318 3HG1 VAL 99 3HG1 VAL 99 0.928 -6.739 2.555 319 1HG2 VAL 99 2HG2 VAL 99 -0.058 -3.346 0.922 320 2HG2 VAL 99 3HG2 VAL 99 1.630 -3.036 0.421 321 3HG2 VAL 99 1HG2 VAL 99 0.744 -4.387 -0.287 322 H LYS 100 H LYS 100 0.869 -5.114 5.272 323 HA LYS 100 HA LYS 100 3.528 -6.344 6.052 324 1HB LYS 100 1HB LYS 100 1.997 -5.250 7.757 325 2HB LYS 100 2HB LYS 100 0.899 -6.612 7.589 326 1HG LYS 100 1HG LYS 100 2.681 -8.205 8.335 327 2HG LYS 100 2HG LYS 100 3.898 -6.929 8.303 328 1HD LYS 100 1HD LYS 100 2.681 -5.684 10.121 329 2HD LYS 100 2HD LYS 100 1.433 -6.921 10.137 330 1HE LYS 100 1HE LYS 100 2.861 -7.395 12.005 331 2HE LYS 100 2HE LYS 100 3.196 -8.654 10.823 332 1HZ LYS 100 1HZ LYS 100 4.864 -6.216 11.281 333 2HZ LYS 100 2HZ LYS 100 5.232 -7.749 11.775 334 3HZ LYS 100 3HZ LYS 100 5.200 -7.386 10.164 335 H PHE 101 H PHE 101 3.929 -7.951 4.592 336 HA PHE 101 HA PHE 101 1.836 -10.155 4.226 337 1HB PHE 101 1HB PHE 101 2.749 -8.906 2.145 338 2HB PHE 101 2HB PHE 101 4.251 -9.763 2.385 339 HD1 PHE 101 HD2 PHE 101 0.603 -10.114 1.623 340 HD2 PHE 101 HD1 PHE 101 4.328 -12.250 1.928 341 HE1 PHE 101 HE2 PHE 101 -0.449 -12.104 0.637 342 HE2 PHE 101 HE1 PHE 101 3.262 -14.225 0.916 343 HZ PHE 101 HZ PHE 101 0.870 -14.165 0.292 344 H GLY 102 H GLY 102 2.132 -11.714 5.588 345 1HA GLY 102 1HA GLY 102 3.206 -13.534 6.784 346 2HA GLY 102 2HA GLY 102 4.786 -13.042 6.188 347 H ASN 103 H ASN 103 5.992 -11.769 7.494 348 HA ASN 103 HA ASN 103 4.753 -9.968 9.556 349 1HB ASN 103 1HB ASN 103 5.226 -12.263 10.715 350 2HB ASN 103 2HB ASN 103 6.928 -11.939 10.501 351 1HD2 ASN 103 1HD2 ASN 103 4.879 -10.031 13.510 352 2HD2 ASN 103 2HD2 ASN 103 4.037 -11.081 12.262 353 H ASP 104 H ASP 104 5.574 -8.956 7.400 354 HA ASP 104 HA ASP 104 7.957 -7.314 8.158 355 1HB ASP 104 1HB ASP 104 8.050 -8.707 5.404 356 2HB ASP 104 2HB ASP 104 9.103 -7.413 5.953 357 H VAL 105 H VAL 105 7.624 -5.336 7.500 358 HA VAL 105 HA VAL 105 5.029 -4.686 6.013 359 HB VAL 105 HB VAL 105 6.637 -2.856 7.847 360 1HG1 VAL 105 2HG1 VAL 105 5.276 -1.607 6.093 361 2HG1 VAL 105 3HG1 VAL 105 3.820 -2.469 6.598 362 3HG1 VAL 105 1HG1 VAL 105 4.626 -1.333 7.716 363 1HG2 VAL 105 3HG2 VAL 105 5.528 -4.659 9.211 364 2HG2 VAL 105 1HG2 VAL 105 4.777 -3.084 9.504 365 3HG2 VAL 105 2HG2 VAL 105 3.962 -4.272 8.463 366 H GLN 106 H GLN 106 5.385 -4.413 3.965 367 HA GLN 106 HA GLN 106 8.032 -3.361 2.868 368 1HB GLN 106 1HB GLN 106 5.791 -5.046 1.599 369 2HB GLN 106 2HB GLN 106 7.099 -4.328 0.666 370 1HG GLN 106 1HG GLN 106 8.832 -5.541 1.864 371 2HG GLN 106 2HG GLN 106 7.693 -6.150 3.053 372 1HE2 GLN 106 2HE2 GLN 106 7.871 -8.062 -0.604 373 2HE2 GLN 106 1HE2 GLN 106 8.684 -6.439 -0.334 374 H HIS 107 H HIS 107 8.061 -1.335 2.391 375 HA HIS 107 HA HIS 107 5.561 0.281 1.856 376 1HB HIS 107 1HB HIS 107 8.455 0.944 2.672 377 2HB HIS 107 2HB HIS 107 7.453 2.153 1.959 378 HD2 HIS 107 HD2 HIS 107 6.964 -0.438 4.893 379 HE1 HIS 107 HE1 HIS 107 4.853 2.925 5.921 380 HE2 HIS 107 HE2 HIS 107 5.595 0.687 6.840 381 H PHE 108 H PHE 108 4.950 0.247 -0.137 382 HA PHE 108 HA PHE 108 6.911 0.211 -2.490 383 1HB PHE 108 1HB PHE 108 3.899 -0.328 -2.613 384 2HB PHE 108 2HB PHE 108 5.061 -0.564 -3.881 385 HD1 PHE 108 HD1 PHE 108 6.939 -2.379 -3.525 386 HD2 PHE 108 HD2 PHE 108 3.389 -2.161 -1.100 387 HE1 PHE 108 HE1 PHE 108 7.240 -4.721 -2.855 388 HE2 PHE 108 HE2 PHE 108 3.694 -4.519 -0.464 389 HZ PHE 108 HZ PHE 108 5.611 -5.802 -1.333 390 H LYS 109 H LYS 109 7.147 2.063 -3.511 391 HA LYS 109 HA LYS 109 5.617 4.487 -2.659 392 1HB LYS 109 1HB LYS 109 7.973 4.215 -4.619 393 2HB LYS 109 2HB LYS 109 7.154 5.737 -4.300 394 1HG LYS 109 1HG LYS 109 7.669 5.567 -1.850 395 2HG LYS 109 2HG LYS 109 8.525 4.048 -2.120 396 1HD LYS 109 1HD LYS 109 10.159 5.193 -3.629 397 2HD LYS 109 2HD LYS 109 9.313 6.724 -3.467 398 1HE LYS 109 1HE LYS 109 10.614 5.206 -1.095 399 2HE LYS 109 2HE LYS 109 11.424 6.454 -2.039 400 1HZ LYS 109 3HZ LYS 109 9.718 8.045 -1.348 401 2HZ LYS 109 1HZ LYS 109 8.942 6.891 -0.456 402 3HZ LYS 109 2HZ LYS 109 10.464 7.377 -0.035 403 H VAL 110 H VAL 110 3.783 4.899 -3.440 404 HA VAL 110 HA VAL 110 2.793 4.157 -6.201 405 HB VAL 110 HB VAL 110 1.447 5.483 -3.773 406 1HG1 VAL 110 3HG1 VAL 110 0.145 4.639 -6.419 407 2HG1 VAL 110 1HG1 VAL 110 -0.753 5.139 -4.959 408 3HG1 VAL 110 2HG1 VAL 110 0.279 6.303 -5.802 409 1HG2 VAL 110 1HG2 VAL 110 1.907 3.018 -3.431 410 2HG2 VAL 110 2HG2 VAL 110 0.177 3.380 -3.491 411 3HG2 VAL 110 3HG2 VAL 110 0.977 2.653 -4.903 412 H LEU 111 H LEU 111 3.803 5.405 -7.648 413 HA LEU 111 HA LEU 111 3.939 8.437 -7.210 414 1HB LEU 111 1HB LEU 111 6.101 8.544 -8.179 415 2HB LEU 111 2HB LEU 111 6.046 7.452 -6.838 416 HG LEU 111 HG LEU 111 5.803 5.566 -8.824 417 1HD1 LEU 111 3HD2 LEU 111 5.873 7.239 -10.718 418 2HD1 LEU 111 1HD2 LEU 111 7.464 7.806 -10.167 419 3HD1 LEU 111 2HD2 LEU 111 7.263 6.141 -10.767 420 1HD2 LEU 111 2HD1 LEU 111 7.543 5.555 -7.047 421 2HD2 LEU 111 3HD1 LEU 111 8.252 5.175 -8.627 422 3HD2 LEU 111 1HD1 LEU 111 8.481 6.794 -7.918 423 H ARG 112 H ARG 112 3.270 9.756 -8.667 424 HA ARG 112 HA ARG 112 1.615 8.764 -10.950 425 1HB ARG 112 1HB ARG 112 2.236 11.625 -9.953 426 2HB ARG 112 2HB ARG 112 1.099 11.263 -11.237 427 1HG ARG 112 1HG ARG 112 -0.411 10.048 -9.706 428 2HG ARG 112 2HG ARG 112 0.714 10.265 -8.355 429 1HD ARG 112 1HD ARG 112 0.560 12.756 -8.568 430 2HD ARG 112 2HD ARG 112 -0.514 12.595 -9.970 431 HE ARG 112 HE ARG 112 -1.774 11.196 -7.757 432 1HH1 ARG 112 2HH2 ARG 112 -0.934 14.533 -8.661 433 2HH1 ARG 112 1HH2 ARG 112 -2.323 15.173 -7.647 434 1HH2 ARG 112 1HH1 ARG 112 -3.326 12.043 -6.633 435 2HH2 ARG 112 2HH1 ARG 112 -3.580 13.859 -6.580 436 H ASP 113 H ASP 113 1.683 9.589 -13.042 437 HA ASP 113 HA ASP 113 4.399 10.266 -14.212 438 1HB ASP 113 1HB ASP 113 3.482 9.960 -16.433 439 2HB ASP 113 2HB ASP 113 3.290 8.543 -15.443 440 H GLY 114 H GLY 114 1.121 11.763 -14.068 441 1HA GLY 114 1HA GLY 114 2.365 14.522 -14.244 442 2HA GLY 114 2HA GLY 114 1.356 14.069 -15.616 443 H ALA 115 H ALA 115 -0.906 13.645 -15.204 444 HA ALA 115 HA ALA 115 -2.070 15.545 -13.273 445 1HB ALA 115 2HB ALA 115 -3.030 15.298 -15.531 446 2HB ALA 115 3HB ALA 115 -3.509 13.616 -15.193 447 3HB ALA 115 1HB ALA 115 -4.260 14.956 -14.297 448 H GLY 116 H GLY 116 -3.049 12.083 -13.596 449 1HA GLY 116 1HA GLY 116 -2.410 11.456 -10.789 450 2HA GLY 116 2HA GLY 116 -4.136 11.762 -10.922 451 H LYS 117 H LYS 117 -1.713 10.044 -12.942 452 HA LYS 117 HA LYS 117 -3.430 7.491 -12.806 453 1HB LYS 117 1HB LYS 117 -1.649 8.508 -15.074 454 2HB LYS 117 2HB LYS 117 -1.935 6.798 -14.842 455 1HG LYS 117 1HG LYS 117 -3.489 7.523 -16.465 456 2HG LYS 117 2HG LYS 117 -4.407 7.106 -15.027 457 1HD LYS 117 1HD LYS 117 -4.675 9.522 -14.453 458 2HD LYS 117 2HD LYS 117 -3.654 10.012 -15.796 459 1HE LYS 117 1HE LYS 117 -6.377 8.547 -16.047 460 2HE LYS 117 2HE LYS 117 -6.153 10.292 -16.159 461 1HZ LYS 117 2HZ LYS 117 -4.748 9.956 -18.118 462 2HZ LYS 117 3HZ LYS 117 -4.944 8.318 -18.032 463 3HZ LYS 117 1HZ LYS 117 -6.242 9.290 -18.347 464 H TYR 118 H TYR 118 -2.701 6.723 -11.025 465 HA TYR 118 HA TYR 118 0.022 6.995 -9.946 466 1HB TYR 118 1HB TYR 118 -2.305 5.191 -8.994 467 2HB TYR 118 2HB TYR 118 -0.884 5.570 -8.075 468 HD1 TYR 118 HD1 TYR 118 -0.508 8.052 -7.313 469 HD2 TYR 118 HD2 TYR 118 -4.261 6.575 -8.826 470 HE1 TYR 118 HE1 TYR 118 -1.707 9.844 -6.141 471 HE2 TYR 118 HE2 TYR 118 -5.435 8.384 -7.676 472 HH TYR 118 HH TYR 118 -5.259 10.116 -6.306 473 H PHE 119 H PHE 119 1.706 5.597 -10.298 474 HA PHE 119 HA PHE 119 1.135 2.642 -10.831 475 1HB PHE 119 1HB PHE 119 2.787 2.315 -12.440 476 2HB PHE 119 2HB PHE 119 1.654 3.489 -12.992 477 HD1 PHE 119 HD2 PHE 119 2.384 6.043 -12.977 478 HD2 PHE 119 HD1 PHE 119 5.156 2.785 -12.477 479 HE1 PHE 119 HE2 PHE 119 4.246 7.502 -13.647 480 HE2 PHE 119 HE1 PHE 119 6.996 4.260 -13.174 481 HZ PHE 119 HZ PHE 119 6.544 6.617 -13.769 482 H LEU 120 H LEU 120 1.965 1.458 -9.373 483 HA LEU 120 HA LEU 120 4.508 2.227 -7.870 484 1HB LEU 120 1HB LEU 120 4.001 0.768 -6.081 485 2HB LEU 120 2HB LEU 120 2.762 1.966 -6.265 486 HG LEU 120 HG LEU 120 2.417 -0.977 -7.127 487 1HD1 LEU 120 2HD1 LEU 120 2.778 -0.836 -4.691 488 2HD1 LEU 120 3HD1 LEU 120 1.495 0.386 -4.526 489 3HD1 LEU 120 1HD1 LEU 120 1.102 -1.271 -5.052 490 1HD2 LEU 120 1HD2 LEU 120 0.335 1.283 -6.841 491 2HD2 LEU 120 2HD2 LEU 120 0.766 0.421 -8.336 492 3HD2 LEU 120 3HD2 LEU 120 -0.078 -0.433 -7.043 493 H TRP 121 H TRP 121 2.889 -0.648 -9.268 494 HA TRP 121 HA TRP 121 5.461 -2.199 -9.421 495 1HB TRP 121 1HB TRP 121 3.441 -3.274 -8.597 496 2HB TRP 121 2HB TRP 121 2.511 -2.814 -9.997 497 HD1 TRP 121 HD1 TRP 121 5.772 -5.039 -9.413 498 HE1 TRP 121 HE1 TRP 121 5.443 -7.387 -10.569 499 HE3 TRP 121 HE3 TRP 121 1.262 -3.991 -11.577 500 HZ2 TRP 121 HZ2 TRP 121 3.313 -8.521 -12.127 501 HZ3 TRP 121 HZ3 TRP 121 0.125 -5.751 -12.874 502 HH2 TRP 121 HH2 TRP 121 1.126 -7.984 -13.134 503 H VAL 122 H VAL 122 2.961 -1.751 -11.967 504 HA VAL 122 HA VAL 122 4.919 -0.476 -13.811 505 HB VAL 122 HB VAL 122 5.443 -2.880 -14.070 506 1HG1 VAL 122 3HG2 VAL 122 3.211 -3.974 -13.888 507 2HG1 VAL 122 1HG2 VAL 122 2.779 -3.356 -15.500 508 3HG1 VAL 122 2HG2 VAL 122 4.131 -4.496 -15.309 509 1HG2 VAL 122 2HG1 VAL 122 5.996 -1.249 -15.867 510 2HG2 VAL 122 3HG1 VAL 122 5.673 -2.862 -16.531 511 3HG2 VAL 122 1HG1 VAL 122 4.440 -1.583 -16.666 512 H VAL 123 H VAL 123 1.779 -2.074 -13.898 513 HA VAL 123 HA VAL 123 0.709 -0.231 -15.888 514 HB VAL 123 HB VAL 123 0.061 -2.597 -15.727 515 1HG1 VAL 123 2HG1 VAL 123 -0.312 -2.887 -13.243 516 2HG1 VAL 123 3HG1 VAL 123 -1.795 -1.911 -13.367 517 3HG1 VAL 123 1HG1 VAL 123 -1.677 -3.470 -14.214 518 1HG2 VAL 123 3HG2 VAL 123 -1.314 -1.019 -17.074 519 2HG2 VAL 123 1HG2 VAL 123 -2.281 -2.359 -16.430 520 3HG2 VAL 123 2HG2 VAL 123 -2.392 -0.746 -15.684 521 H LYS 124 H LYS 124 -0.524 1.504 -15.776 522 HA LYS 124 HA LYS 124 -0.614 3.051 -13.236 523 1HB LYS 124 1HB LYS 124 -1.531 3.725 -16.111 524 2HB LYS 124 2HB LYS 124 -1.675 4.863 -14.782 525 1HG LYS 124 1HG LYS 124 0.720 4.978 -14.414 526 2HG LYS 124 2HG LYS 124 1.043 3.637 -15.515 527 1HD LYS 124 1HD LYS 124 0.129 5.041 -17.447 528 2HD LYS 124 2HD LYS 124 -0.128 6.364 -16.319 529 1HE LYS 124 1HE LYS 124 1.951 6.834 -17.447 530 2HE LYS 124 2HE LYS 124 2.376 6.394 -15.796 531 1HZ LYS 124 3HZ LYS 124 2.550 4.584 -18.162 532 2HZ LYS 124 1HZ LYS 124 3.821 5.321 -17.407 533 3HZ LYS 124 2HZ LYS 124 2.954 4.157 -16.617 534 H PHE 125 H PHE 125 -2.427 4.187 -12.487 535 HA PHE 125 HA PHE 125 -5.136 2.759 -12.682 536 1HB PHE 125 1HB PHE 125 -3.727 3.312 -9.992 537 2HB PHE 125 2HB PHE 125 -5.310 2.621 -10.210 538 HD1 PHE 125 HD1 PHE 125 -5.420 0.318 -11.612 539 HD2 PHE 125 HD2 PHE 125 -1.854 1.826 -9.725 540 HE1 PHE 125 HE1 PHE 125 -4.420 -1.924 -11.665 541 HE2 PHE 125 HE2 PHE 125 -0.895 -0.431 -9.752 542 HZ PHE 125 HZ PHE 125 -2.151 -2.300 -10.725 543 H ASN 126 H ASN 126 -6.503 4.358 -13.139 544 HA ASN 126 HA ASN 126 -6.019 7.184 -12.708 545 1HB ASN 126 1HB ASN 126 -8.245 7.662 -13.466 546 2HB ASN 126 2HB ASN 126 -7.467 6.500 -14.495 547 1HD2 ASN 126 1HD2 ASN 126 -10.052 4.020 -13.958 548 2HD2 ASN 126 2HD2 ASN 126 -8.391 4.385 -14.646 549 H SER 127 H SER 127 -7.936 4.991 -10.641 550 HA SER 127 HA SER 127 -8.220 7.256 -8.597 551 1HB SER 127 1HB SER 127 -10.207 6.123 -7.731 552 2HB SER 127 2HB SER 127 -10.389 6.459 -9.448 553 HG SER 127 HG SER 127 -9.616 3.981 -8.288 554 H LEU 128 H LEU 128 -7.677 6.983 -6.563 555 HA LEU 128 HA LEU 128 -5.997 4.617 -5.673 556 1HB LEU 128 1HB LEU 128 -5.358 7.079 -5.247 557 2HB LEU 128 2HB LEU 128 -6.730 7.188 -4.170 558 HG LEU 128 HG LEU 128 -5.630 5.277 -2.772 559 1HD1 LEU 128 1HD2 LEU 128 -3.196 5.914 -4.576 560 2HD1 LEU 128 2HD2 LEU 128 -3.138 4.973 -3.065 561 3HD1 LEU 128 3HD2 LEU 128 -4.043 4.351 -4.453 562 1HD2 LEU 128 1HD1 LEU 128 -5.573 7.672 -2.069 563 2HD2 LEU 128 2HD1 LEU 128 -4.050 6.872 -1.652 564 3HD2 LEU 128 3HD1 LEU 128 -4.123 7.955 -3.062 565 H ASN 129 H ASN 129 -8.140 3.520 -6.164 566 HA ASN 129 HA ASN 129 -9.106 2.352 -3.662 567 1HB ASN 129 1HB ASN 129 -11.459 3.212 -5.426 568 2HB ASN 129 2HB ASN 129 -11.488 2.322 -3.921 569 1HD2 ASN 129 1HD2 ASN 129 -11.752 5.328 -1.980 570 2HD2 ASN 129 2HD2 ASN 129 -11.678 3.495 -2.019 571 H GLU 130 H GLU 130 -9.657 2.546 -7.276 572 HA GLU 130 HA GLU 130 -9.862 -0.346 -7.695 573 1HB GLU 130 1HB GLU 130 -10.723 1.365 -9.284 574 2HB GLU 130 2HB GLU 130 -9.108 2.009 -9.530 575 1HG GLU 130 1HG GLU 130 -9.770 0.704 -11.431 576 2HG GLU 130 2HG GLU 130 -8.374 -0.039 -10.661 577 H LEU 131 H LEU 131 -7.033 1.891 -7.442 578 HA LEU 131 HA LEU 131 -4.902 0.081 -8.151 579 1HB LEU 131 1HB LEU 131 -4.698 2.493 -7.639 580 2HB LEU 131 2HB LEU 131 -5.033 2.252 -5.945 581 HG LEU 131 HG LEU 131 -2.612 0.854 -7.217 582 1HD1 LEU 131 2HD2 LEU 131 -2.458 3.218 -7.959 583 2HD1 LEU 131 3HD2 LEU 131 -2.655 3.803 -6.294 584 3HD1 LEU 131 1HD2 LEU 131 -1.212 2.871 -6.758 585 1HD2 LEU 131 1HD1 LEU 131 -3.067 1.972 -4.362 586 2HD2 LEU 131 2HD1 LEU 131 -3.060 0.253 -4.817 587 3HD2 LEU 131 3HD1 LEU 131 -1.573 1.196 -4.941 588 H VAL 132 H VAL 132 -6.549 0.322 -4.986 589 HA VAL 132 HA VAL 132 -5.208 -1.956 -3.684 590 HB VAL 132 HB VAL 132 -7.828 -0.449 -3.140 591 1HG1 VAL 132 3HG1 VAL 132 -6.863 -2.826 -1.445 592 2HG1 VAL 132 1HG1 VAL 132 -8.126 -1.644 -0.982 593 3HG1 VAL 132 2HG1 VAL 132 -8.381 -2.705 -2.361 594 1HG2 VAL 132 2HG2 VAL 132 -5.183 -0.656 -1.571 595 2HG2 VAL 132 3HG2 VAL 132 -5.730 0.734 -2.546 596 3HG2 VAL 132 1HG2 VAL 132 -6.614 0.283 -1.078 597 H ASP 133 H ASP 133 -8.474 -1.811 -5.220 598 HA ASP 133 HA ASP 133 -9.030 -4.577 -4.882 599 1HB ASP 133 1HB ASP 133 -10.679 -2.687 -5.420 600 2HB ASP 133 2HB ASP 133 -10.173 -2.742 -7.098 601 H TYR 134 H TYR 134 -7.271 -3.160 -7.644 602 HA TYR 134 HA TYR 134 -7.162 -5.608 -9.295 603 1HB TYR 134 1HB TYR 134 -6.676 -3.386 -10.257 604 2HB TYR 134 2HB TYR 134 -5.321 -3.147 -9.186 605 HD1 TYR 134 HD2 TYR 134 -6.505 -5.050 -12.186 606 HD2 TYR 134 HD1 TYR 134 -3.157 -4.302 -9.591 607 HE1 TYR 134 HE2 TYR 134 -4.997 -6.128 -13.799 608 HE2 TYR 134 HE1 TYR 134 -1.663 -5.363 -11.203 609 HH TYR 134 HH TYR 134 -2.908 -6.702 -14.277 610 H HIS 135 H HIS 135 -4.748 -4.214 -6.960 611 HA HIS 135 HA HIS 135 -3.191 -6.724 -6.992 612 1HB HIS 135 1HB HIS 135 -2.860 -4.217 -5.250 613 2HB HIS 135 2HB HIS 135 -1.850 -5.632 -5.063 614 HD2 HIS 135 HD2 HIS 135 -1.082 -2.547 -6.293 615 HE1 HIS 135 HE1 HIS 135 0.588 -4.945 -9.233 616 HE2 HIS 135 HE2 HIS 135 0.656 -2.553 -8.290 617 H ARG 136 H ARG 136 -6.022 -6.181 -5.266 618 HA ARG 136 HA ARG 136 -5.530 -8.070 -3.029 619 1HB ARG 136 1HB ARG 136 -8.111 -7.240 -4.505 620 2HB ARG 136 2HB ARG 136 -8.112 -8.464 -3.248 621 1HG ARG 136 1HG ARG 136 -7.096 -6.817 -1.617 622 2HG ARG 136 2HG ARG 136 -7.191 -5.563 -2.849 623 1HD ARG 136 1HD ARG 136 -9.728 -5.947 -2.964 624 2HD ARG 136 2HD ARG 136 -9.598 -7.117 -1.659 625 HE ARG 136 HE ARG 136 -9.408 -4.123 -1.449 626 1HH1 ARG 136 2HH2 ARG 136 -8.728 -7.150 0.288 627 2HH1 ARG 136 1HH2 ARG 136 -8.723 -6.243 1.883 628 1HH2 ARG 136 1HH1 ARG 136 -9.379 -3.201 0.411 629 2HH2 ARG 136 2HH1 ARG 136 -9.067 -4.157 1.945 630 H SER 137 H SER 137 -6.060 -8.551 -6.461 631 HA SER 137 HA SER 137 -6.049 -11.560 -6.149 632 1HB SER 137 1HB SER 137 -6.969 -9.928 -8.591 633 2HB SER 137 2HB SER 137 -6.813 -11.687 -8.545 634 HG SER 137 HG SER 137 -8.905 -10.989 -8.095 635 H THR 138 H THR 138 -4.438 -8.826 -7.850 636 HA THR 138 HA THR 138 -2.328 -10.695 -8.971 637 HB THR 138 HB THR 138 -2.759 -7.654 -9.391 638 HG1 THR 138 HG1 THR 138 -3.379 -9.884 -11.021 639 1HG2 THR 138 3HG2 THR 138 -0.918 -9.587 -10.954 640 2HG2 THR 138 1HG2 THR 138 -1.382 -7.964 -11.510 641 3HG2 THR 138 2HG2 THR 138 -0.421 -8.139 -10.040 642 H SER 139 H SER 139 -0.107 -10.335 -8.714 643 HA SER 139 HA SER 139 0.744 -9.777 -5.938 644 1HB SER 139 1HB SER 139 1.740 -11.608 -7.286 645 2HB SER 139 2HB SER 139 2.441 -10.439 -8.420 646 HG SER 139 HG SER 139 3.928 -10.973 -6.869 647 H VAL 140 H VAL 140 1.715 -8.049 -5.115 648 HA VAL 140 HA VAL 140 2.196 -5.542 -6.697 649 HB VAL 140 HB VAL 140 3.017 -5.872 -3.766 650 1HG1 VAL 140 1HG2 VAL 140 2.401 -3.399 -5.523 651 2HG1 VAL 140 2HG2 VAL 140 2.715 -3.339 -3.775 652 3HG1 VAL 140 3HG2 VAL 140 3.991 -3.872 -4.880 653 1HG2 VAL 140 2HG1 VAL 140 0.537 -6.343 -3.868 654 2HG2 VAL 140 3HG1 VAL 140 0.925 -4.829 -3.037 655 3HG2 VAL 140 1HG1 VAL 140 0.296 -4.786 -4.698 656 H SER 141 H SER 141 4.277 -7.943 -4.951 657 HA SER 141 HA SER 141 6.808 -6.616 -5.975 658 1HB SER 141 1HB SER 141 6.443 -9.081 -4.141 659 2HB SER 141 2HB SER 141 7.992 -8.397 -4.619 660 HG SER 141 HG SER 141 5.927 -7.040 -3.243 661 H ARG 142 H ARG 142 8.138 -7.523 -7.477 662 HA ARG 142 HA ARG 142 7.229 -10.017 -9.002 663 1HB ARG 142 1HB ARG 142 8.736 -9.427 -10.780 664 2HB ARG 142 2HB ARG 142 7.541 -8.200 -10.441 665 1HG ARG 142 1HG ARG 142 9.417 -6.889 -9.145 666 2HG ARG 142 2HG ARG 142 10.543 -8.081 -9.768 667 1HD ARG 142 1HD ARG 142 10.668 -6.185 -11.242 668 2HD ARG 142 2HD ARG 142 9.854 -7.464 -12.151 669 HE ARG 142 HE ARG 142 7.859 -5.733 -10.805 670 1HH1 ARG 142 2HH2 ARG 142 10.054 -5.739 -13.602 671 2HH1 ARG 142 1HH2 ARG 142 8.966 -4.545 -14.472 672 1HH2 ARG 142 1HH1 ARG 142 6.702 -4.383 -11.883 673 2HH2 ARG 142 2HH1 ARG 142 7.196 -3.830 -13.561 674 H ASN 143 H ASN 143 7.708 -10.999 -6.881 675 HA ASN 143 HA ASN 143 9.932 -12.801 -6.921 676 1HB ASN 143 1HB ASN 143 11.329 -12.160 -4.973 677 2HB ASN 143 2HB ASN 143 11.573 -11.194 -6.390 678 1HD2 ASN 143 1HD2 ASN 143 10.696 -9.227 -2.971 679 2HD2 ASN 143 2HD2 ASN 143 10.955 -11.042 -3.058 680 H GLN 144 H GLN 144 8.343 -11.021 -4.227 681 HA GLN 144 HA GLN 144 7.098 -13.585 -3.173 682 1HB GLN 144 1HB GLN 144 7.058 -10.670 -2.155 683 2HB GLN 144 2HB GLN 144 6.105 -11.954 -1.425 684 1HG GLN 144 1HG GLN 144 8.155 -13.246 -0.844 685 2HG GLN 144 2HG GLN 144 9.174 -12.033 -1.608 686 1HE2 GLN 144 2HE2 GLN 144 9.221 -10.105 1.426 687 2HE2 GLN 144 1HE2 GLN 144 9.990 -10.572 -0.174 688 H GLN 145 H GLN 145 4.879 -13.890 -3.068 689 HA GLN 145 HA GLN 145 3.202 -12.440 -5.157 690 1HB GLN 145 1HB GLN 145 2.683 -15.062 -3.670 691 2HB GLN 145 2HB GLN 145 1.561 -14.313 -4.778 692 1HG GLN 145 1HG GLN 145 4.369 -15.299 -5.548 693 2HG GLN 145 2HG GLN 145 2.876 -16.166 -5.817 694 1HE2 GLN 145 2HE2 GLN 145 1.994 -14.200 -8.740 695 2HE2 GLN 145 1HE2 GLN 145 1.393 -15.350 -7.444 696 H ILE 146 H ILE 146 2.860 -10.503 -4.089 697 HA ILE 146 HA ILE 146 1.768 -10.476 -1.306 698 HB ILE 146 HB ILE 146 2.233 -8.014 -3.039 699 1HG1 ILE 146 1HG1 ILE 146 4.376 -9.163 -2.946 700 2HG1 ILE 146 2HG1 ILE 146 4.383 -7.636 -2.101 701 1HG2 ILE 146 3HG2 ILE 146 1.950 -8.316 0.022 702 2HG2 ILE 146 1HG2 ILE 146 2.394 -6.807 -0.808 703 3HG2 ILE 146 2HG2 ILE 146 0.802 -7.536 -1.075 704 1HD1 ILE 146 3HD1 ILE 146 4.300 -10.405 -0.730 705 2HD1 ILE 146 1HD1 ILE 146 5.711 -9.324 -0.864 706 3HD1 ILE 146 2HD1 ILE 146 4.327 -8.835 0.123 707 H PHE 147 H PHE 147 -0.277 -10.598 -0.924 708 HA PHE 147 HA PHE 147 -2.392 -9.555 -2.905 709 1HB PHE 147 1HB PHE 147 -2.695 -12.123 -1.262 710 2HB PHE 147 2HB PHE 147 -3.881 -11.434 -2.344 711 HD1 PHE 147 HD2 PHE 147 -2.530 -10.802 -4.873 712 HD2 PHE 147 HD1 PHE 147 -1.789 -14.106 -2.209 713 HE1 PHE 147 HE2 PHE 147 -1.521 -12.082 -6.715 714 HE2 PHE 147 HE1 PHE 147 -0.844 -15.381 -4.096 715 HZ PHE 147 HZ PHE 147 -0.692 -14.369 -6.330 716 H LEU 148 H LEU 148 -3.553 -8.071 -2.087 717 HA LEU 148 HA LEU 148 -3.138 -7.078 0.614 718 1HB LEU 148 1HB LEU 148 -4.808 -6.163 -1.788 719 2HB LEU 148 2HB LEU 148 -5.075 -5.402 -0.252 720 HG LEU 148 HG LEU 148 -2.757 -4.632 -0.069 721 1HD1 LEU 148 2HD1 LEU 148 -2.234 -5.954 -2.808 722 2HD1 LEU 148 3HD1 LEU 148 -1.162 -4.769 -2.019 723 3HD1 LEU 148 1HD1 LEU 148 -1.436 -6.344 -1.266 724 1HD2 LEU 148 3HD2 LEU 148 -4.453 -3.194 -1.215 725 2HD2 LEU 148 1HD2 LEU 148 -2.854 -2.945 -1.933 726 3HD2 LEU 148 2HD2 LEU 148 -4.061 -3.936 -2.785 727 H ARG 149 H ARG 149 -4.339 -6.943 2.386 728 HA ARG 149 HA ARG 149 -7.121 -8.128 2.597 729 1HB ARG 149 1HB ARG 149 -5.042 -9.720 3.018 730 2HB ARG 149 2HB ARG 149 -4.687 -8.756 4.428 731 1HG ARG 149 1HG ARG 149 -7.354 -10.257 3.987 732 2HG ARG 149 2HG ARG 149 -5.910 -10.995 4.673 733 1HD ARG 149 1HD ARG 149 -5.893 -9.164 6.489 734 2HD ARG 149 2HD ARG 149 -7.466 -8.643 5.858 735 HE ARG 149 HE ARG 149 -7.495 -11.545 6.457 736 1HH1 ARG 149 2HH2 ARG 149 -7.805 -8.371 8.034 737 2HH1 ARG 149 1HH2 ARG 149 -8.818 -9.122 9.366 738 1HH2 ARG 149 1HH1 ARG 149 -8.655 -12.284 8.020 739 2HH2 ARG 149 2HH1 ARG 149 -9.265 -11.185 9.357 740 H ASP 150 H ASP 150 -8.288 -7.111 4.279 741 HA ASP 150 HA ASP 150 -7.461 -4.367 5.077 742 1HB ASP 150 1HB ASP 150 -9.892 -6.077 5.950 743 2HB ASP 150 2HB ASP 150 -9.637 -4.431 6.486 744 H ILE 151 H ILE 151 -7.323 -3.531 7.206 745 HA ILE 151 HA ILE 151 -5.546 -5.130 8.969 746 HB ILE 151 HB ILE 151 -5.492 -3.064 10.457 747 1HG1 ILE 151 1HG1 ILE 151 -6.086 -0.849 9.445 748 2HG1 ILE 151 2HG1 ILE 151 -7.031 -1.640 8.199 749 1HG2 ILE 151 2HG2 ILE 151 -3.725 -3.578 8.849 750 2HG2 ILE 151 3HG2 ILE 151 -4.615 -2.772 7.541 751 3HG2 ILE 151 1HG2 ILE 151 -3.984 -1.826 8.913 752 1HD1 ILE 151 3HD1 ILE 151 -7.626 -1.824 11.238 753 2HD1 ILE 151 1HD1 ILE 151 -8.405 -0.692 10.104 754 3HD1 ILE 151 2HD1 ILE 151 -8.671 -2.436 9.926 755 H GLU 152 H GLU 152 -5.753 -5.304 11.273 756 HA GLU 152 HA GLU 152 -8.407 -6.559 11.995 757 1HB GLU 152 1HB GLU 152 -6.301 -7.807 12.434 758 2HB GLU 152 2HB GLU 152 -5.768 -6.570 13.551 759 1HG GLU 152 1HG GLU 152 -6.635 -8.484 14.781 760 2HG GLU 152 2HG GLU 152 -7.629 -7.082 15.116 761 HXT GLU 152 HO OH 153 -6.153 -4.491 13.642 No H/Q in entry = 761 Start of MODEL 13 1 1H GLY 58 1H GLY 58 -10.751 -3.669 8.983 2 2H GLY 58 2H GLY 58 -10.420 -3.342 7.416 3 1HA GLY 58 1HA GLY 58 -12.241 -1.986 8.210 4 2HA GLY 58 2HA GLY 58 -11.201 -1.364 9.487 5 H SER 59 H SER 59 -9.865 0.317 9.002 6 HA SER 59 HA SER 59 -10.395 1.759 6.418 7 1HB SER 59 1HB SER 59 -10.703 2.895 8.615 8 2HB SER 59 2HB SER 59 -8.982 2.722 8.983 9 HG SER 59 HG SER 59 -9.501 4.724 8.078 10 H TRP 60 H TRP 60 -9.055 1.658 4.770 11 HA TRP 60 HA TRP 60 -6.096 1.130 5.120 12 1HB TRP 60 1HB TRP 60 -5.772 0.910 2.786 13 2HB TRP 60 2HB TRP 60 -6.867 -0.260 3.455 14 HD1 TRP 60 HD1 TRP 60 -9.368 -0.303 2.605 15 HE1 TRP 60 HE1 TRP 60 -10.609 0.556 0.399 16 HE3 TRP 60 HE3 TRP 60 -5.822 3.056 1.267 17 HZ2 TRP 60 HZ2 TRP 60 -9.895 2.530 -1.591 18 HZ3 TRP 60 HZ3 TRP 60 -6.145 4.436 -0.754 19 HH2 TRP 60 HH2 TRP 60 -8.149 4.173 -2.164 20 H PHE 61 H PHE 61 -8.184 3.713 3.706 21 HA PHE 61 HA PHE 61 -5.826 5.437 3.173 22 1HB PHE 61 1HB PHE 61 -7.950 5.407 1.750 23 2HB PHE 61 2HB PHE 61 -8.810 6.209 3.037 24 HD1 PHE 61 HD1 PHE 61 -5.958 6.554 0.609 25 HD2 PHE 61 HD2 PHE 61 -8.493 8.657 3.379 26 HE1 PHE 61 HE1 PHE 61 -5.094 8.701 -0.212 27 HE2 PHE 61 HE2 PHE 61 -7.591 10.796 2.563 28 HZ PHE 61 HZ PHE 61 -5.885 10.825 0.773 29 H PHE 62 H PHE 62 -5.032 7.009 4.362 30 HA PHE 62 HA PHE 62 -6.455 7.993 6.913 31 1HB PHE 62 1HB PHE 62 -3.545 7.157 6.678 32 2HB PHE 62 2HB PHE 62 -4.096 8.195 7.967 33 HD1 PHE 62 HD2 PHE 62 -5.766 7.353 9.689 34 HD2 PHE 62 HD1 PHE 62 -4.184 4.739 6.668 35 HE1 PHE 62 HE2 PHE 62 -6.632 5.401 10.914 36 HE2 PHE 62 HE1 PHE 62 -5.071 2.794 7.901 37 HZ PHE 62 HZ PHE 62 -6.299 3.121 10.016 38 H GLY 63 H GLY 63 -3.453 9.049 5.262 39 1HA GLY 63 1HA GLY 63 -4.551 11.159 3.686 40 2HA GLY 63 2HA GLY 63 -4.335 11.911 5.275 41 H LYS 64 H LYS 64 -2.361 12.719 5.652 42 HA LYS 64 HA LYS 64 0.126 11.497 4.321 43 1HB LYS 64 1HB LYS 64 -0.469 13.824 3.397 44 2HB LYS 64 2HB LYS 64 -0.155 14.491 4.993 45 1HG LYS 64 1HG LYS 64 2.242 13.591 4.846 46 2HG LYS 64 2HG LYS 64 1.861 12.884 3.289 47 1HD LYS 64 1HD LYS 64 3.022 14.859 2.730 48 2HD LYS 64 2HD LYS 64 1.352 15.186 2.351 49 1HE LYS 64 1HE LYS 64 2.246 17.177 3.373 50 2HE LYS 64 2HE LYS 64 1.128 16.495 4.551 51 1HZ LYS 64 1HZ LYS 64 4.099 16.189 4.609 52 2HZ LYS 64 2HZ LYS 64 3.208 17.186 5.578 53 3HZ LYS 64 3HZ LYS 64 3.065 15.547 5.726 54 H ILE 65 H ILE 65 0.078 10.055 6.064 55 HA ILE 65 HA ILE 65 0.329 11.147 8.861 56 HB ILE 65 HB ILE 65 -1.673 9.892 8.232 57 1HG1 ILE 65 1HG1 ILE 65 -0.774 9.881 10.589 58 2HG1 ILE 65 2HG1 ILE 65 -2.029 8.747 10.142 59 1HG2 ILE 65 3HG2 ILE 65 0.070 7.436 7.640 60 2HG2 ILE 65 1HG2 ILE 65 -1.681 7.387 7.887 61 3HG2 ILE 65 2HG2 ILE 65 -1.013 8.298 6.517 62 1HD1 ILE 65 2HD1 ILE 65 0.937 7.959 10.384 63 2HD1 ILE 65 3HD1 ILE 65 -0.337 7.678 11.608 64 3HD1 ILE 65 1HD1 ILE 65 -0.420 6.862 10.027 65 HA PRO 66 HA PRO 66 4.721 10.040 8.809 66 1HB PRO 66 1HB PRO 66 4.159 8.982 11.653 67 2HB PRO 66 2HB PRO 66 5.559 9.918 11.083 68 1HG PRO 66 1HG PRO 66 3.536 11.185 12.331 69 2HG PRO 66 2HG PRO 66 4.255 11.919 10.873 70 1HD PRO 66 1HD PRO 66 1.589 10.448 11.120 71 2HD PRO 66 2HD PRO 66 2.019 11.858 10.103 72 H ARG 67 H ARG 67 6.223 8.457 8.677 73 HA ARG 67 HA ARG 67 5.392 5.699 8.042 74 1HB ARG 67 1HB ARG 67 7.416 7.076 7.099 75 2HB ARG 67 2HB ARG 67 8.290 6.628 8.543 76 1HG ARG 67 1HG ARG 67 7.907 4.168 7.987 77 2HG ARG 67 2HG ARG 67 7.000 4.658 6.557 78 1HD ARG 67 1HD ARG 67 9.053 5.761 5.597 79 2HD ARG 67 2HD ARG 67 9.982 5.292 7.037 80 HE ARG 67 HE ARG 67 8.767 2.870 5.974 81 1HH1 ARG 67 2HH2 ARG 67 11.261 5.212 5.008 82 2HH1 ARG 67 1HH2 ARG 67 12.135 3.909 4.057 83 1HH2 ARG 67 1HH1 ARG 67 9.842 1.469 4.864 84 2HH2 ARG 67 2HH1 ARG 67 11.383 1.932 3.983 85 H ALA 68 H ALA 68 6.765 7.162 10.929 86 HA ALA 68 HA ALA 68 7.408 4.579 12.321 87 1HB ALA 68 2HB ALA 68 8.716 6.617 12.884 88 2HB ALA 68 3HB ALA 68 7.253 7.428 13.500 89 3HB ALA 68 1HB ALA 68 7.895 5.985 14.322 90 H LYS 69 H LYS 69 4.693 6.939 12.604 91 HA LYS 69 HA LYS 69 3.191 5.297 14.552 92 1HB LYS 69 1HB LYS 69 2.898 7.800 14.244 93 2HB LYS 69 2HB LYS 69 2.148 7.506 12.690 94 1HG LYS 69 1HG LYS 69 0.425 7.957 14.294 95 2HG LYS 69 2HG LYS 69 0.258 6.271 13.834 96 1HD LYS 69 1HD LYS 69 1.396 5.560 15.978 97 2HD LYS 69 2HD LYS 69 1.654 7.253 16.416 98 1HE LYS 69 1HE LYS 69 -0.865 7.619 16.465 99 2HE LYS 69 2HE LYS 69 -1.118 5.923 16.026 100 1HZ LYS 69 2HZ LYS 69 0.031 5.282 18.085 101 2HZ LYS 69 3HZ LYS 69 0.259 6.866 18.496 102 3HZ LYS 69 1HZ LYS 69 -1.270 6.247 18.412 103 H ALA 70 H ALA 70 3.207 5.376 11.003 104 HA ALA 70 HA ALA 70 0.966 3.477 10.577 105 1HB ALA 70 2HB ALA 70 1.727 4.927 8.724 106 2HB ALA 70 3HB ALA 70 3.351 4.194 8.744 107 3HB ALA 70 1HB ALA 70 1.943 3.225 8.261 108 H GLU 71 H GLU 71 4.513 2.983 10.783 109 HA GLU 71 HA GLU 71 4.436 0.036 10.623 110 1HB GLU 71 1HB GLU 71 6.580 1.983 11.671 111 2HB GLU 71 2HB GLU 71 6.813 0.244 11.653 112 1HG GLU 71 1HG GLU 71 6.504 0.141 9.177 113 2HG GLU 71 2HG GLU 71 6.197 1.867 9.104 114 H GLU 72 H GLU 72 4.214 2.233 13.443 115 HA GLU 72 HA GLU 72 4.350 0.192 15.515 116 1HB GLU 72 1HB GLU 72 4.640 2.655 15.865 117 2HB GLU 72 2HB GLU 72 2.931 2.923 15.545 118 1HG GLU 72 1HG GLU 72 2.350 1.541 17.602 119 2HG GLU 72 2HG GLU 72 4.063 1.236 17.880 120 H MET 73 H MET 73 1.456 1.606 13.897 121 HA MET 73 HA MET 73 -0.525 -0.149 15.183 122 1HB MET 73 1HB MET 73 -0.596 1.631 12.676 123 2HB MET 73 2HB MET 73 -1.923 0.546 13.015 124 1HG MET 73 1HG MET 73 -2.448 2.758 13.880 125 2HG MET 73 2HG MET 73 -2.392 1.592 15.200 126 1HE MET 73 2HE MET 73 -1.644 2.660 17.384 127 2HE MET 73 1HE MET 73 -0.311 1.512 17.041 128 3HE MET 73 3HE MET 73 0.054 3.160 17.625 129 H LEU 74 H LEU 74 1.097 -0.479 11.982 130 HA LEU 74 HA LEU 74 -0.178 -3.093 11.417 131 1HB LEU 74 1HB LEU 74 1.973 -1.436 10.034 132 2HB LEU 74 2HB LEU 74 1.907 -3.135 9.679 133 HG LEU 74 HG LEU 74 -0.450 -3.045 8.973 134 1HD1 LEU 74 1HD2 LEU 74 -0.315 0.000 9.456 135 2HD1 LEU 74 2HD2 LEU 74 -1.609 -0.840 8.555 136 3HD1 LEU 74 3HD2 LEU 74 -1.391 -1.152 10.283 137 1HD2 LEU 74 2HD1 LEU 74 1.361 -2.718 7.294 138 2HD2 LEU 74 3HD1 LEU 74 -0.088 -1.799 6.858 139 3HD2 LEU 74 1HD1 LEU 74 1.322 -0.955 7.545 140 H SER 75 H SER 75 2.719 -2.369 13.272 141 HA SER 75 HA SER 75 3.842 -5.083 13.289 142 1HB SER 75 1HB SER 75 5.082 -3.087 14.149 143 2HB SER 75 2HB SER 75 3.960 -2.947 15.509 144 HG SER 75 HG SER 75 5.845 -4.095 16.004 145 H LYS 76 H LYS 76 1.189 -3.612 15.148 146 HA LYS 76 HA LYS 76 0.563 -5.873 16.915 147 1HB LYS 76 1HB LYS 76 -1.552 -3.937 15.830 148 2HB LYS 76 2HB LYS 76 -1.590 -4.850 17.320 149 1HG LYS 76 1HG LYS 76 0.148 -2.400 16.683 150 2HG LYS 76 2HG LYS 76 -1.281 -2.441 17.692 151 1HD LYS 76 1HD LYS 76 -0.095 -3.856 19.404 152 2HD LYS 76 2HD LYS 76 1.315 -3.960 18.360 153 1HE LYS 76 1HE LYS 76 1.843 -2.303 20.013 154 2HE LYS 76 2HE LYS 76 1.634 -1.440 18.493 155 1HZ LYS 76 1HZ LYS 76 -0.403 -1.633 20.668 156 2HZ LYS 76 2HZ LYS 76 0.524 -0.311 20.318 157 3HZ LYS 76 3HZ LYS 76 -0.623 -0.823 19.245 158 H GLN 77 H GLN 77 -0.419 -5.166 13.559 159 HA GLN 77 HA GLN 77 -2.475 -7.226 13.291 160 1HB GLN 77 1HB GLN 77 -0.891 -5.533 11.277 161 2HB GLN 77 2HB GLN 77 -1.743 -6.932 10.697 162 1HG GLN 77 1HG GLN 77 -3.168 -5.085 10.359 163 2HG GLN 77 2HG GLN 77 -3.890 -6.157 11.525 164 1HE2 GLN 77 2HE2 GLN 77 -3.406 -2.276 12.556 165 2HE2 GLN 77 1HE2 GLN 77 -3.011 -2.950 10.896 166 H ARG 78 H ARG 78 -2.187 -9.205 13.370 167 HA ARG 78 HA ARG 78 0.300 -10.777 12.898 168 1HB ARG 78 1HB ARG 78 -1.050 -12.739 13.461 169 2HB ARG 78 2HB ARG 78 -1.310 -11.449 14.606 170 1HG ARG 78 1HG ARG 78 -3.520 -10.877 13.308 171 2HG ARG 78 2HG ARG 78 -3.228 -12.309 12.346 172 1HD ARG 78 1HD ARG 78 -4.853 -12.838 14.023 173 2HD ARG 78 2HD ARG 78 -3.390 -13.758 14.400 174 HE ARG 78 HE ARG 78 -3.185 -11.340 15.957 175 1HH1 ARG 78 2HH2 ARG 78 -5.482 -14.048 15.783 176 2HH1 ARG 78 1HH2 ARG 78 -5.949 -13.780 17.537 177 1HH2 ARG 78 1HH1 ARG 78 -3.791 -11.126 17.940 178 2HH2 ARG 78 2HH1 ARG 78 -5.054 -12.236 18.674 179 H HIS 79 H HIS 79 -2.205 -9.822 10.685 180 HA HIS 79 HA HIS 79 -2.024 -12.214 8.959 181 1HB HIS 79 1HB HIS 79 -3.465 -9.563 8.363 182 2HB HIS 79 2HB HIS 79 -3.723 -11.088 7.553 183 HD2 HIS 79 HD2 HIS 79 -4.674 -13.205 9.337 184 HE1 HIS 79 HE1 HIS 79 -6.536 -10.550 11.939 185 HE2 HIS 79 HE2 HIS 79 -6.430 -13.044 11.323 186 H ASP 80 H ASP 80 -1.164 -12.476 7.019 187 HA ASP 80 HA ASP 80 0.790 -10.488 5.838 188 1HB ASP 80 1HB ASP 80 0.032 -13.375 5.038 189 2HB ASP 80 2HB ASP 80 0.958 -12.342 3.975 190 H GLY 81 H GLY 81 0.080 -8.986 4.556 191 1HA GLY 81 1HA GLY 81 -1.201 -8.341 2.412 192 2HA GLY 81 2HA GLY 81 -2.556 -9.288 2.975 193 H ALA 82 H ALA 82 -2.041 -8.148 5.845 194 HA ALA 82 HA ALA 82 -4.132 -6.119 5.720 195 1HB ALA 82 2HB ALA 82 -2.190 -6.864 7.998 196 2HB ALA 82 3HB ALA 82 -3.560 -5.752 8.172 197 3HB ALA 82 1HB ALA 82 -3.860 -7.439 7.733 198 H PHE 83 H PHE 83 -3.877 -4.184 4.804 199 HA PHE 83 HA PHE 83 -1.225 -2.672 5.101 200 1HB PHE 83 1HB PHE 83 -1.181 -2.158 2.841 201 2HB PHE 83 2HB PHE 83 -1.585 -3.826 2.883 202 HD1 PHE 83 HD1 PHE 83 -4.055 -4.515 2.331 203 HD2 PHE 83 HD2 PHE 83 -2.707 -0.463 1.888 204 HE1 PHE 83 HE1 PHE 83 -6.160 -3.926 1.204 205 HE2 PHE 83 HE2 PHE 83 -4.770 0.087 0.675 206 HZ PHE 83 HZ PHE 83 -6.532 -1.617 0.403 207 H LEU 84 H LEU 84 -1.184 -0.479 4.621 208 HA LEU 84 HA LEU 84 -3.712 1.103 4.547 209 1HB LEU 84 1HB LEU 84 -3.347 2.673 6.229 210 2HB LEU 84 2HB LEU 84 -3.273 1.097 6.944 211 HG LEU 84 HG LEU 84 -0.641 1.406 6.928 212 1HD1 LEU 84 3HD1 LEU 84 -1.524 4.359 6.514 213 2HD1 LEU 84 1HD1 LEU 84 0.054 3.884 7.167 214 3HD1 LEU 84 2HD1 LEU 84 -0.360 3.463 5.520 215 1HD2 LEU 84 3HD2 LEU 84 -2.166 1.497 8.986 216 2HD2 LEU 84 1HD2 LEU 84 -0.730 2.527 9.120 217 3HD2 LEU 84 2HD2 LEU 84 -2.318 3.250 8.765 218 H ILE 85 H ILE 85 -3.554 2.584 2.940 219 HA ILE 85 HA ILE 85 -0.861 3.271 1.756 220 HB ILE 85 HB ILE 85 -3.734 3.972 0.958 221 1HG1 ILE 85 1HG1 ILE 85 -1.486 2.465 -0.539 222 2HG1 ILE 85 2HG1 ILE 85 -2.665 1.660 0.483 223 1HG2 ILE 85 3HG2 ILE 85 -1.155 5.089 -0.317 224 2HG2 ILE 85 1HG2 ILE 85 -2.762 5.140 -1.083 225 3HG2 ILE 85 2HG2 ILE 85 -2.488 6.011 0.421 226 1HD1 ILE 85 2HD1 ILE 85 -3.428 3.224 -2.045 227 2HD1 ILE 85 3HD1 ILE 85 -3.301 1.457 -1.872 228 3HD1 ILE 85 1HD1 ILE 85 -4.534 2.339 -0.957 229 H ARG 86 H ARG 86 0.282 4.761 2.654 230 HA ARG 86 HA ARG 86 -0.933 7.272 3.933 231 1HB ARG 86 1HB ARG 86 1.154 7.642 5.157 232 2HB ARG 86 2HB ARG 86 0.317 6.196 5.666 233 1HG ARG 86 1HG ARG 86 1.922 4.720 4.725 234 2HG ARG 86 2HG ARG 86 2.669 5.926 3.700 235 1HD ARG 86 1HD ARG 86 2.740 6.132 6.775 236 2HD ARG 86 2HD ARG 86 3.918 5.185 5.893 237 HE ARG 86 HE ARG 86 3.760 8.176 6.030 238 1HH1 ARG 86 2HH2 ARG 86 5.224 5.471 4.248 239 2HH1 ARG 86 1HH2 ARG 86 6.623 6.548 3.749 240 1HH2 ARG 86 1HH1 ARG 86 5.388 9.299 5.412 241 2HH2 ARG 86 2HH1 ARG 86 6.707 8.570 4.366 242 H GLU 87 H GLU 87 -0.298 9.199 3.133 243 HA GLU 87 HA GLU 87 1.254 9.299 0.569 244 1HB GLU 87 1HB GLU 87 -0.829 10.720 1.040 245 2HB GLU 87 2HB GLU 87 0.149 11.714 2.095 246 1HG GLU 87 1HG GLU 87 1.670 12.280 0.138 247 2HG GLU 87 2HG GLU 87 0.726 11.212 -0.902 248 H SER 88 H SER 88 3.264 10.048 0.326 249 HA SER 88 HA SER 88 5.149 9.857 2.539 250 1HB SER 88 1HB SER 88 5.698 9.178 0.212 251 2HB SER 88 2HB SER 88 5.635 10.855 -0.334 252 HG SER 88 HG SER 88 7.297 11.311 1.178 253 H GLU 89 H GLU 89 5.913 11.328 3.858 254 HA GLU 89 HA GLU 89 4.898 14.093 3.966 255 1HB GLU 89 1HB GLU 89 7.104 12.773 5.640 256 2HB GLU 89 2HB GLU 89 6.462 14.387 5.919 257 1HG GLU 89 1HG GLU 89 4.131 13.403 6.253 258 2HG GLU 89 2HG GLU 89 4.803 11.785 6.085 259 H SER 90 H SER 90 8.200 12.856 3.258 260 HA SER 90 HA SER 90 9.373 15.443 2.535 261 1HB SER 90 1HB SER 90 10.705 13.387 3.110 262 2HB SER 90 2HB SER 90 10.207 12.630 1.591 263 HG SER 90 HG SER 90 12.208 13.677 1.465 264 H ALA 91 H ALA 91 7.539 13.097 0.523 265 HA ALA 91 HA ALA 91 7.541 15.175 -1.753 266 1HB ALA 91 3HB ALA 91 7.546 12.114 -2.088 267 2HB ALA 91 1HB ALA 91 7.340 13.313 -3.385 268 3HB ALA 91 2HB ALA 91 8.873 13.233 -2.491 269 HA PRO 92 HA PRO 92 3.083 14.686 -0.330 270 1HB PRO 92 1HB PRO 92 3.007 17.433 -1.676 271 2HB PRO 92 2HB PRO 92 2.172 16.897 -0.201 272 1HG PRO 92 1HG PRO 92 4.427 18.399 0.013 273 2HG PRO 92 2HG PRO 92 4.216 17.004 1.099 274 1HD PRO 92 1HD PRO 92 5.921 17.150 -1.455 275 2HD PRO 92 2HD PRO 92 6.327 16.455 0.144 276 H GLY 93 H GLY 93 4.368 15.235 -3.439 277 1HA GLY 93 1HA GLY 93 1.807 14.297 -4.879 278 2HA GLY 93 2HA GLY 93 3.235 14.917 -5.676 279 H ASP 94 H ASP 94 3.062 12.427 -3.103 280 HA ASP 94 HA ASP 94 3.470 10.152 -5.024 281 1HB ASP 94 1HB ASP 94 5.832 11.164 -4.605 282 2HB ASP 94 2HB ASP 94 5.669 10.756 -2.913 283 H PHE 95 H PHE 95 2.370 8.468 -4.209 284 HA PHE 95 HA PHE 95 1.731 8.292 -1.233 285 1HB PHE 95 1HB PHE 95 0.435 6.978 -3.686 286 2HB PHE 95 2HB PHE 95 0.226 6.290 -2.113 287 HD1 PHE 95 HD1 PHE 95 -0.787 7.703 -0.200 288 HD2 PHE 95 HD2 PHE 95 -0.911 8.926 -4.310 289 HE1 PHE 95 HE1 PHE 95 -2.683 9.186 0.297 290 HE2 PHE 95 HE2 PHE 95 -2.811 10.421 -3.801 291 HZ PHE 95 HZ PHE 95 -3.697 10.552 -1.498 292 H SER 96 H SER 96 1.770 6.173 -0.270 293 HA SER 96 HA SER 96 3.980 4.292 -1.190 294 1HB SER 96 1HB SER 96 4.028 5.672 1.581 295 2HB SER 96 2HB SER 96 5.024 4.289 1.117 296 HG SER 96 HG SER 96 6.078 6.257 0.828 297 H LEU 97 H LEU 97 2.915 2.481 -1.252 298 HA LEU 97 HA LEU 97 0.561 1.738 0.463 299 1HB LEU 97 1HB LEU 97 0.654 1.158 -1.928 300 2HB LEU 97 2HB LEU 97 2.164 0.285 -1.727 301 HG LEU 97 HG LEU 97 0.856 -1.289 -0.121 302 1HD1 LEU 97 2HD1 LEU 97 -1.182 0.014 0.226 303 2HD1 LEU 97 3HD1 LEU 97 -1.587 -0.063 -1.513 304 3HD1 LEU 97 1HD1 LEU 97 -1.584 -1.542 -0.520 305 1HD2 LEU 97 3HD2 LEU 97 1.636 -1.971 -2.412 306 2HD2 LEU 97 1HD2 LEU 97 0.098 -2.738 -1.978 307 3HD2 LEU 97 2HD2 LEU 97 0.109 -1.363 -3.109 308 H SER 98 H SER 98 0.993 1.249 2.431 309 HA SER 98 HA SER 98 3.596 -0.052 3.405 310 1HB SER 98 1HB SER 98 1.425 1.217 5.112 311 2HB SER 98 2HB SER 98 3.066 0.837 5.593 312 HG SER 98 HG SER 98 2.282 2.690 3.597 313 H VAL 99 H VAL 99 3.244 -2.265 2.981 314 HA VAL 99 HA VAL 99 0.637 -3.570 3.939 315 HB VAL 99 HB VAL 99 2.699 -4.881 2.073 316 1HG1 VAL 99 1HG2 VAL 99 -0.223 -5.604 2.781 317 2HG1 VAL 99 2HG2 VAL 99 0.717 -6.395 1.508 318 3HG1 VAL 99 3HG2 VAL 99 1.229 -6.536 3.192 319 1HG2 VAL 99 1HG1 VAL 99 0.169 -3.357 1.197 320 2HG2 VAL 99 2HG1 VAL 99 1.868 -2.958 0.826 321 3HG2 VAL 99 3HG1 VAL 99 1.148 -4.426 0.160 322 H LYS 100 H LYS 100 0.735 -4.754 5.713 323 HA LYS 100 HA LYS 100 3.293 -5.618 7.041 324 1HB LYS 100 1HB LYS 100 1.338 -4.928 8.422 325 2HB LYS 100 2HB LYS 100 0.371 -6.235 7.777 326 1HG LYS 100 1HG LYS 100 1.122 -6.811 9.997 327 2HG LYS 100 2HG LYS 100 1.843 -7.935 8.860 328 1HD LYS 100 1HD LYS 100 4.036 -6.661 8.977 329 2HD LYS 100 2HD LYS 100 3.291 -5.498 10.080 330 1HE LYS 100 1HE LYS 100 2.894 -7.345 11.771 331 2HE LYS 100 2HE LYS 100 3.653 -8.511 10.673 332 1HZ LYS 100 1HZ LYS 100 4.985 -6.103 11.823 333 2HZ LYS 100 2HZ LYS 100 5.216 -7.663 12.312 334 3HZ LYS 100 3HZ LYS 100 5.704 -7.189 10.807 335 H PHE 101 H PHE 101 4.358 -7.236 6.095 336 HA PHE 101 HA PHE 101 2.898 -9.761 5.173 337 1HB PHE 101 1HB PHE 101 3.223 -8.117 3.234 338 2HB PHE 101 2HB PHE 101 4.947 -8.255 3.431 339 HD1 PHE 101 HD1 PHE 101 1.810 -10.130 2.570 340 HD2 PHE 101 HD2 PHE 101 6.113 -10.277 2.554 341 HE1 PHE 101 HE1 PHE 101 1.749 -12.138 1.150 342 HE2 PHE 101 HE2 PHE 101 6.029 -12.278 1.128 343 HZ PHE 101 HZ PHE 101 3.855 -13.222 0.437 344 H GLY 102 H GLY 102 3.645 -10.766 6.975 345 1HA GLY 102 1HA GLY 102 5.025 -12.425 7.960 346 2HA GLY 102 2HA GLY 102 6.071 -12.293 6.567 347 H ASN 103 H ASN 103 5.345 -10.767 9.696 348 HA ASN 103 HA ASN 103 6.642 -9.787 11.327 349 1HB ASN 103 1HB ASN 103 9.112 -11.148 10.107 350 2HB ASN 103 2HB ASN 103 9.065 -10.358 11.659 351 1HD2 ASN 103 1HD2 ASN 103 7.822 -14.189 11.563 352 2HD2 ASN 103 2HD2 ASN 103 8.538 -13.321 10.114 353 H ASP 104 H ASP 104 7.098 -8.652 8.247 354 HA ASP 104 HA ASP 104 8.429 -6.101 9.292 355 1HB ASP 104 1HB ASP 104 9.285 -7.543 6.690 356 2HB ASP 104 2HB ASP 104 9.777 -5.924 7.153 357 H VAL 105 H VAL 105 7.754 -4.280 8.348 358 HA VAL 105 HA VAL 105 5.244 -4.405 6.636 359 HB VAL 105 HB VAL 105 6.411 -1.963 8.066 360 1HG1 VAL 105 3HG2 VAL 105 4.879 -1.411 6.099 361 2HG1 VAL 105 1HG2 VAL 105 3.609 -2.415 6.809 362 3HG1 VAL 105 2HG2 VAL 105 4.149 -0.934 7.643 363 1HG2 VAL 105 2HG1 VAL 105 5.637 -3.610 9.803 364 2HG2 VAL 105 3HG1 VAL 105 4.561 -2.207 9.746 365 3HG2 VAL 105 1HG1 VAL 105 4.063 -3.737 8.986 366 H GLN 106 H GLN 106 5.616 -4.346 4.545 367 HA GLN 106 HA GLN 106 8.159 -3.178 3.361 368 1HB GLN 106 1HB GLN 106 6.012 -5.028 2.169 369 2HB GLN 106 2HB GLN 106 7.284 -4.279 1.209 370 1HG GLN 106 1HG GLN 106 9.066 -5.314 2.589 371 2HG GLN 106 2HG GLN 106 7.867 -6.063 3.635 372 1HE2 GLN 106 2HE2 GLN 106 8.684 -7.849 0.027 373 2HE2 GLN 106 1HE2 GLN 106 9.451 -6.264 0.541 374 H HIS 107 H HIS 107 8.120 -1.209 2.707 375 HA HIS 107 HA HIS 107 5.565 0.277 2.022 376 1HB HIS 107 1HB HIS 107 8.410 1.106 2.857 377 2HB HIS 107 2HB HIS 107 7.335 2.228 2.110 378 HD2 HIS 107 HD2 HIS 107 6.924 -0.318 5.108 379 HE1 HIS 107 HE1 HIS 107 4.867 3.082 6.150 380 HE2 HIS 107 HE2 HIS 107 5.580 0.826 7.060 381 H PHE 108 H PHE 108 5.096 -0.249 -0.011 382 HA PHE 108 HA PHE 108 7.184 -0.283 -2.216 383 1HB PHE 108 1HB PHE 108 4.219 -0.951 -2.554 384 2HB PHE 108 2HB PHE 108 5.525 -1.276 -3.655 385 HD1 PHE 108 HD2 PHE 108 7.377 -2.989 -2.962 386 HD2 PHE 108 HD1 PHE 108 3.606 -2.645 -0.914 387 HE1 PHE 108 HE2 PHE 108 7.632 -5.273 -2.082 388 HE2 PHE 108 HE1 PHE 108 3.871 -4.941 -0.066 389 HZ PHE 108 HZ PHE 108 5.882 -6.255 -0.650 390 H LYS 109 H LYS 109 7.448 1.457 -3.422 391 HA LYS 109 HA LYS 109 5.936 3.913 -2.820 392 1HB LYS 109 1HB LYS 109 7.505 5.171 -4.126 393 2HB LYS 109 2HB LYS 109 8.303 4.080 -3.018 394 1HG LYS 109 1HG LYS 109 8.812 2.504 -4.974 395 2HG LYS 109 2HG LYS 109 8.059 3.667 -6.067 396 1HD LYS 109 1HD LYS 109 9.733 5.432 -5.319 397 2HD LYS 109 2HD LYS 109 10.516 4.226 -4.290 398 1HE LYS 109 1HE LYS 109 11.006 2.799 -6.342 399 2HE LYS 109 2HE LYS 109 10.214 4.003 -7.369 400 1HZ LYS 109 1HZ LYS 109 11.880 5.633 -6.641 401 2HZ LYS 109 2HZ LYS 109 12.621 4.508 -5.685 402 3HZ LYS 109 3HZ LYS 109 12.606 4.317 -7.326 403 H VAL 110 H VAL 110 4.148 4.513 -3.661 404 HA VAL 110 HA VAL 110 3.118 3.546 -6.342 405 HB VAL 110 HB VAL 110 1.763 5.218 -4.155 406 1HG1 VAL 110 3HG1 VAL 110 0.511 4.049 -6.723 407 2HG1 VAL 110 1HG1 VAL 110 -0.396 4.807 -5.385 408 3HG1 VAL 110 2HG1 VAL 110 0.722 5.775 -6.354 409 1HG2 VAL 110 3HG2 VAL 110 2.105 2.838 -3.431 410 2HG2 VAL 110 1HG2 VAL 110 0.389 3.206 -3.666 411 3HG2 VAL 110 2HG2 VAL 110 1.272 2.269 -4.895 412 H LEU 111 H LEU 111 3.953 4.627 -7.996 413 HA LEU 111 HA LEU 111 4.849 7.492 -7.778 414 1HB LEU 111 1HB LEU 111 5.040 5.549 -10.149 415 2HB LEU 111 2HB LEU 111 5.870 7.087 -10.014 416 HG LEU 111 HG LEU 111 6.344 4.655 -8.189 417 1HD1 LEU 111 3HD2 LEU 111 7.076 4.184 -10.516 418 2HD1 LEU 111 1HD2 LEU 111 8.048 5.676 -10.554 419 3HD1 LEU 111 2HD2 LEU 111 8.486 4.345 -9.453 420 1HD2 LEU 111 1HD1 LEU 111 7.933 7.311 -8.368 421 2HD2 LEU 111 2HD1 LEU 111 6.969 6.740 -6.981 422 3HD2 LEU 111 3HD1 LEU 111 8.441 5.875 -7.445 423 H ARG 112 H ARG 112 4.081 9.186 -9.024 424 HA ARG 112 HA ARG 112 1.266 8.796 -10.219 425 1HB ARG 112 1HB ARG 112 2.378 11.144 -8.559 426 2HB ARG 112 2HB ARG 112 0.811 11.149 -9.353 427 1HG ARG 112 1HG ARG 112 -0.016 9.273 -7.980 428 2HG ARG 112 2HG ARG 112 1.572 9.003 -7.289 429 1HD ARG 112 1HD ARG 112 0.506 10.121 -5.570 430 2HD ARG 112 2HD ARG 112 1.498 11.377 -6.292 431 HE ARG 112 HE ARG 112 -1.138 11.537 -7.526 432 1HH1 ARG 112 2HH2 ARG 112 0.332 12.066 -4.330 433 2HH1 ARG 112 1HH2 ARG 112 -1.048 13.182 -3.864 434 1HH2 ARG 112 1HH1 ARG 112 -2.659 12.821 -6.885 435 2HH2 ARG 112 2HH1 ARG 112 -2.625 13.578 -5.214 436 H ASP 113 H ASP 113 1.066 9.368 -12.272 437 HA ASP 113 HA ASP 113 3.040 11.343 -13.554 438 1HB ASP 113 1HB ASP 113 2.810 10.337 -15.683 439 2HB ASP 113 2HB ASP 113 3.382 9.177 -14.524 440 H GLY 114 H GLY 114 2.047 13.237 -13.286 441 1HA GLY 114 1HA GLY 114 0.692 15.045 -14.080 442 2HA GLY 114 2HA GLY 114 -0.137 13.938 -15.148 443 H ALA 115 H ALA 115 -0.112 15.360 -11.974 444 HA ALA 115 HA ALA 115 -1.749 15.846 -10.433 445 1HB ALA 115 2HB ALA 115 -3.363 16.430 -12.188 446 2HB ALA 115 3HB ALA 115 -3.950 14.750 -12.253 447 3HB ALA 115 1HB ALA 115 -4.159 15.709 -10.772 448 H GLY 116 H GLY 116 -3.037 12.712 -11.554 449 1HA GLY 116 1HA GLY 116 -1.697 11.205 -9.390 450 2HA GLY 116 2HA GLY 116 -3.384 11.466 -8.959 451 H LYS 117 H LYS 117 -1.308 10.271 -11.583 452 HA LYS 117 HA LYS 117 -3.377 8.078 -12.240 453 1HB LYS 117 1HB LYS 117 -1.009 8.867 -14.007 454 2HB LYS 117 2HB LYS 117 -2.226 7.649 -14.331 455 1HG LYS 117 1HG LYS 117 -2.683 10.690 -14.201 456 2HG LYS 117 2HG LYS 117 -2.543 9.718 -15.656 457 1HD LYS 117 1HD LYS 117 -4.671 8.469 -15.037 458 2HD LYS 117 2HD LYS 117 -4.786 9.416 -13.562 459 1HE LYS 117 1HE LYS 117 -6.302 10.459 -15.074 460 2HE LYS 117 2HE LYS 117 -4.937 11.563 -14.947 461 1HZ LYS 117 3HZ LYS 117 -5.402 9.634 -17.181 462 2HZ LYS 117 1HZ LYS 117 -5.642 11.267 -17.243 463 3HZ LYS 117 2HZ LYS 117 -4.113 10.663 -17.081 464 H TYR 118 H TYR 118 -2.929 6.773 -10.661 465 HA TYR 118 HA TYR 118 -0.311 6.459 -9.397 466 1HB TYR 118 1HB TYR 118 -2.805 4.733 -8.844 467 2HB TYR 118 2HB TYR 118 -1.455 5.009 -7.786 468 HD1 TYR 118 HD1 TYR 118 -1.089 7.460 -6.855 469 HD2 TYR 118 HD2 TYR 118 -4.711 6.220 -8.819 470 HE1 TYR 118 HE1 TYR 118 -2.257 9.456 -6.012 471 HE2 TYR 118 HE2 TYR 118 -5.860 8.200 -7.940 472 HH TYR 118 HH TYR 118 -4.146 10.584 -5.916 473 H PHE 119 H PHE 119 1.228 5.382 -10.461 474 HA PHE 119 HA PHE 119 0.672 2.623 -11.654 475 1HB PHE 119 1HB PHE 119 2.334 2.790 -13.249 476 2HB PHE 119 2HB PHE 119 1.301 4.167 -13.419 477 HD1 PHE 119 HD1 PHE 119 2.155 6.482 -12.490 478 HD2 PHE 119 HD2 PHE 119 4.731 3.096 -13.096 479 HE1 PHE 119 HE1 PHE 119 4.097 7.983 -12.639 480 HE2 PHE 119 HE2 PHE 119 6.666 4.614 -13.263 481 HZ PHE 119 HZ PHE 119 6.353 7.056 -13.051 482 H LEU 120 H LEU 120 1.242 1.191 -10.332 483 HA LEU 120 HA LEU 120 3.720 1.430 -8.538 484 1HB LEU 120 1HB LEU 120 1.525 1.322 -7.340 485 2HB LEU 120 2HB LEU 120 1.124 -0.167 -8.181 486 HG LEU 120 HG LEU 120 3.004 -1.361 -7.021 487 1HD1 LEU 120 1HD2 LEU 120 3.364 1.255 -5.413 488 2HD1 LEU 120 2HD2 LEU 120 4.099 -0.312 -5.028 489 3HD1 LEU 120 3HD2 LEU 120 4.560 0.526 -6.515 490 1HD2 LEU 120 1HD1 LEU 120 0.932 0.022 -5.193 491 2HD2 LEU 120 2HD1 LEU 120 0.711 -1.488 -6.108 492 3HD2 LEU 120 3HD1 LEU 120 1.874 -1.423 -4.772 493 H TRP 121 H TRP 121 1.833 -0.848 -10.551 494 HA TRP 121 HA TRP 121 4.315 -2.606 -11.002 495 1HB TRP 121 1HB TRP 121 2.899 -3.614 -9.206 496 2HB TRP 121 2HB TRP 121 1.487 -3.545 -10.232 497 HD1 TRP 121 HD1 TRP 121 4.916 -5.421 -9.956 498 HE1 TRP 121 HE1 TRP 121 4.698 -7.878 -10.913 499 HE3 TRP 121 HE3 TRP 121 0.282 -4.817 -11.983 500 HZ2 TRP 121 HZ2 TRP 121 2.591 -9.241 -12.324 501 HZ3 TRP 121 HZ3 TRP 121 -0.740 -6.695 -13.206 502 HH2 TRP 121 HH2 TRP 121 0.381 -8.880 -13.354 503 H VAL 122 H VAL 122 4.624 -1.924 -13.028 504 HA VAL 122 HA VAL 122 4.439 -1.539 -15.245 505 HB VAL 122 HB VAL 122 3.323 -3.096 -16.763 506 1HG1 VAL 122 2HG1 VAL 122 5.651 -3.464 -15.938 507 2HG1 VAL 122 3HG1 VAL 122 5.032 -4.444 -14.587 508 3HG1 VAL 122 1HG1 VAL 122 4.820 -4.996 -16.266 509 1HG2 VAL 122 3HG2 VAL 122 1.321 -3.880 -15.429 510 2HG2 VAL 122 1HG2 VAL 122 2.321 -5.215 -16.016 511 3HG2 VAL 122 2HG2 VAL 122 2.416 -4.726 -14.312 512 H VAL 123 H VAL 123 0.938 -2.149 -15.164 513 HA VAL 123 HA VAL 123 0.559 0.273 -16.814 514 HB VAL 123 HB VAL 123 -0.617 -1.896 -17.190 515 1HG1 VAL 123 2HG1 VAL 123 -1.304 -2.512 -14.836 516 2HG1 VAL 123 3HG1 VAL 123 -2.490 -1.185 -14.847 517 3HG1 VAL 123 1HG1 VAL 123 -2.663 -2.549 -15.977 518 1HG2 VAL 123 3HG2 VAL 123 -1.420 0.197 -18.274 519 2HG2 VAL 123 1HG2 VAL 123 -2.728 -0.966 -17.988 520 3HG2 VAL 123 2HG2 VAL 123 -2.567 0.460 -16.938 521 H LYS 124 H LYS 124 -0.631 2.095 -16.393 522 HA LYS 124 HA LYS 124 -0.710 3.063 -13.559 523 1HB LYS 124 1HB LYS 124 -1.124 5.254 -14.379 524 2HB LYS 124 2HB LYS 124 0.174 4.544 -15.306 525 1HG LYS 124 1HG LYS 124 -1.517 4.088 -17.209 526 2HG LYS 124 2HG LYS 124 -2.742 4.920 -16.249 527 1HD LYS 124 1HD LYS 124 -1.199 6.979 -16.197 528 2HD LYS 124 2HD LYS 124 -0.107 6.162 -17.294 529 1HE LYS 124 1HE LYS 124 -3.080 6.817 -17.904 530 2HE LYS 124 2HE LYS 124 -1.715 7.829 -18.369 531 1HZ LYS 124 3HZ LYS 124 -0.866 6.004 -19.736 532 2HZ LYS 124 1HZ LYS 124 -2.133 5.035 -19.309 533 3HZ LYS 124 2HZ LYS 124 -2.403 6.406 -20.189 534 H PHE 125 H PHE 125 -2.480 3.991 -12.561 535 HA PHE 125 HA PHE 125 -5.243 2.851 -13.299 536 1HB PHE 125 1HB PHE 125 -3.956 2.758 -10.490 537 2HB PHE 125 2HB PHE 125 -5.633 2.428 -10.821 538 HD1 PHE 125 HD1 PHE 125 -2.171 1.110 -11.267 539 HD2 PHE 125 HD2 PHE 125 -6.351 0.310 -11.913 540 HE1 PHE 125 HE1 PHE 125 -1.649 -1.233 -11.784 541 HE2 PHE 125 HE2 PHE 125 -5.805 -2.031 -12.444 542 HZ PHE 125 HZ PHE 125 -3.453 -2.795 -12.411 543 H ASN 126 H ASN 126 -6.586 4.482 -13.476 544 HA ASN 126 HA ASN 126 -6.007 7.237 -12.834 545 1HB ASN 126 1HB ASN 126 -8.769 5.975 -13.379 546 2HB ASN 126 2HB ASN 126 -8.475 7.692 -13.275 547 1HD2 ASN 126 1HD2 ASN 126 -7.514 5.839 -16.783 548 2HD2 ASN 126 2HD2 ASN 126 -8.053 4.890 -15.308 549 H SER 127 H SER 127 -8.257 5.080 -11.021 550 HA SER 127 HA SER 127 -8.325 7.091 -8.731 551 1HB SER 127 1HB SER 127 -10.007 4.553 -9.190 552 2HB SER 127 2HB SER 127 -10.148 5.623 -7.796 553 HG SER 127 HG SER 127 -10.474 6.374 -10.510 554 H LEU 128 H LEU 128 -7.752 6.593 -6.711 555 HA LEU 128 HA LEU 128 -5.594 4.668 -6.176 556 1HB LEU 128 1HB LEU 128 -5.992 6.991 -5.088 557 2HB LEU 128 2HB LEU 128 -7.245 6.236 -4.126 558 HG LEU 128 HG LEU 128 -5.453 4.655 -3.175 559 1HD1 LEU 128 3HD2 LEU 128 -3.468 6.539 -4.626 560 2HD1 LEU 128 1HD2 LEU 128 -3.030 5.318 -3.412 561 3HD1 LEU 128 2HD2 LEU 128 -3.693 4.807 -4.970 562 1HD2 LEU 128 2HD1 LEU 128 -6.237 6.719 -1.969 563 2HD2 LEU 128 3HD1 LEU 128 -4.528 6.410 -1.635 564 3HD2 LEU 128 1HD1 LEU 128 -4.985 7.692 -2.779 565 H ASN 129 H ASN 129 -9.087 4.563 -5.452 566 HA ASN 129 HA ASN 129 -9.050 1.955 -4.051 567 1HB ASN 129 1HB ASN 129 -10.887 3.591 -3.769 568 2HB ASN 129 2HB ASN 129 -11.322 3.464 -5.460 569 1HD2 ASN 129 1HD2 ASN 129 -12.484 0.402 -2.913 570 2HD2 ASN 129 2HD2 ASN 129 -11.042 1.455 -2.492 571 H GLU 130 H GLU 130 -9.197 2.821 -7.541 572 HA GLU 130 HA GLU 130 -9.674 0.062 -8.513 573 1HB GLU 130 1HB GLU 130 -8.432 2.485 -9.937 574 2HB GLU 130 2HB GLU 130 -8.607 0.932 -10.716 575 1HG GLU 130 1HG GLU 130 -10.979 2.551 -9.596 576 2HG GLU 130 2HG GLU 130 -10.428 2.581 -11.262 577 H LEU 131 H LEU 131 -6.609 1.856 -7.875 578 HA LEU 131 HA LEU 131 -4.811 -0.352 -8.541 579 1HB LEU 131 1HB LEU 131 -4.025 1.978 -8.237 580 2HB LEU 131 2HB LEU 131 -4.488 1.960 -6.548 581 HG LEU 131 HG LEU 131 -2.742 0.210 -6.065 582 1HD1 LEU 131 2HD1 LEU 131 -2.555 -0.819 -8.401 583 2HD1 LEU 131 3HD1 LEU 131 -1.706 0.654 -8.941 584 3HD1 LEU 131 1HD1 LEU 131 -1.005 -0.386 -7.678 585 1HD2 LEU 131 3HD2 LEU 131 -2.253 2.651 -5.748 586 2HD2 LEU 131 1HD2 LEU 131 -0.799 1.737 -6.193 587 3HD2 LEU 131 2HD2 LEU 131 -1.619 2.741 -7.411 588 H VAL 132 H VAL 132 -6.430 0.404 -5.433 589 HA VAL 132 HA VAL 132 -5.387 -1.855 -3.880 590 HB VAL 132 HB VAL 132 -7.857 -0.060 -3.577 591 1HG1 VAL 132 3HG1 VAL 132 -7.155 -2.375 -1.682 592 2HG1 VAL 132 1HG1 VAL 132 -8.231 -1.009 -1.258 593 3HG1 VAL 132 2HG1 VAL 132 -8.675 -2.113 -2.559 594 1HG2 VAL 132 3HG2 VAL 132 -5.646 0.966 -3.041 595 2HG2 VAL 132 1HG2 VAL 132 -6.612 0.777 -1.568 596 3HG2 VAL 132 2HG2 VAL 132 -5.278 -0.355 -1.906 597 H ASP 133 H ASP 133 -8.649 -1.595 -5.385 598 HA ASP 133 HA ASP 133 -9.352 -4.314 -4.871 599 1HB ASP 133 1HB ASP 133 -10.502 -2.524 -7.099 600 2HB ASP 133 2HB ASP 133 -11.226 -4.027 -6.552 601 H TYR 134 H TYR 134 -7.585 -3.134 -7.692 602 HA TYR 134 HA TYR 134 -7.668 -5.642 -9.259 603 1HB TYR 134 1HB TYR 134 -7.069 -3.460 -10.287 604 2HB TYR 134 2HB TYR 134 -5.667 -3.295 -9.259 605 HD1 TYR 134 HD1 TYR 134 -7.134 -5.324 -12.065 606 HD2 TYR 134 HD2 TYR 134 -3.579 -4.489 -9.788 607 HE1 TYR 134 HE1 TYR 134 -5.799 -6.633 -13.652 608 HE2 TYR 134 HE2 TYR 134 -2.255 -5.785 -11.379 609 HH TYR 134 HH TYR 134 -2.287 -7.024 -13.256 610 H HIS 135 H HIS 135 -5.161 -4.309 -6.995 611 HA HIS 135 HA HIS 135 -3.716 -6.884 -6.960 612 1HB HIS 135 1HB HIS 135 -3.246 -4.369 -5.265 613 2HB HIS 135 2HB HIS 135 -2.271 -5.818 -5.127 614 HD2 HIS 135 HD2 HIS 135 -1.612 -2.692 -6.466 615 HE1 HIS 135 HE1 HIS 135 -0.031 -5.145 -9.420 616 HE2 HIS 135 HE2 HIS 135 0.024 -2.721 -8.551 617 H ARG 136 H ARG 136 -6.496 -6.136 -5.180 618 HA ARG 136 HA ARG 136 -6.207 -7.832 -2.848 619 1HB ARG 136 1HB ARG 136 -8.517 -6.944 -4.596 620 2HB ARG 136 2HB ARG 136 -8.793 -8.490 -3.883 621 1HG ARG 136 1HG ARG 136 -9.800 -6.911 -2.501 622 2HG ARG 136 2HG ARG 136 -8.470 -7.595 -1.582 623 1HD ARG 136 1HD ARG 136 -7.136 -5.545 -1.776 624 2HD ARG 136 2HD ARG 136 -8.103 -4.962 -3.109 625 HE ARG 136 HE ARG 136 -9.660 -3.984 -1.664 626 1HH1 ARG 136 2HH2 ARG 136 -7.747 -6.276 0.260 627 2HH1 ARG 136 1HH2 ARG 136 -8.400 -5.536 1.808 628 1HH2 ARG 136 1HH1 ARG 136 -10.328 -3.218 0.153 629 2HH2 ARG 136 2HH1 ARG 136 -9.761 -3.923 1.749 630 H SER 137 H SER 137 -6.477 -8.805 -6.223 631 HA SER 137 HA SER 137 -6.127 -11.721 -5.497 632 1HB SER 137 1HB SER 137 -7.353 -10.603 -8.090 633 2HB SER 137 2HB SER 137 -6.949 -12.299 -7.810 634 HG SER 137 HG SER 137 -8.725 -10.734 -6.252 635 H THR 138 H THR 138 -4.862 -9.037 -7.519 636 HA THR 138 HA THR 138 -2.752 -10.831 -8.716 637 HB THR 138 HB THR 138 -3.239 -7.827 -9.197 638 HG1 THR 138 HG1 THR 138 -4.230 -8.601 -11.067 639 1HG2 THR 138 3HG2 THR 138 -1.570 -9.889 -10.802 640 2HG2 THR 138 1HG2 THR 138 -2.055 -8.299 -11.419 641 3HG2 THR 138 2HG2 THR 138 -0.970 -8.400 -10.029 642 H SER 139 H SER 139 -0.539 -10.471 -8.551 643 HA SER 139 HA SER 139 0.472 -9.751 -5.871 644 1HB SER 139 1HB SER 139 1.387 -11.655 -7.185 645 2HB SER 139 2HB SER 139 2.021 -10.546 -8.412 646 HG SER 139 HG SER 139 3.563 -11.088 -6.874 647 H VAL 140 H VAL 140 1.491 -8.013 -5.199 648 HA VAL 140 HA VAL 140 1.814 -5.511 -6.808 649 HB VAL 140 HB VAL 140 2.739 -6.127 -3.942 650 1HG1 VAL 140 1HG2 VAL 140 2.749 -3.441 -5.448 651 2HG1 VAL 140 2HG2 VAL 140 2.927 -3.596 -3.680 652 3HG1 VAL 140 3HG2 VAL 140 4.148 -4.286 -4.754 653 1HG2 VAL 140 2HG1 VAL 140 0.227 -6.091 -4.146 654 2HG2 VAL 140 3HG1 VAL 140 0.838 -4.725 -3.201 655 3HG2 VAL 140 1HG1 VAL 140 0.304 -4.472 -4.882 656 H SER 141 H SER 141 4.121 -7.886 -5.360 657 HA SER 141 HA SER 141 6.456 -6.541 -6.768 658 1HB SER 141 1HB SER 141 6.325 -8.775 -4.645 659 2HB SER 141 2HB SER 141 7.822 -8.266 -5.403 660 HG SER 141 HG SER 141 7.385 -6.138 -4.725 661 H ARG 142 H ARG 142 7.876 -7.669 -8.068 662 HA ARG 142 HA ARG 142 6.668 -9.576 -10.002 663 1HB ARG 142 1HB ARG 142 9.524 -8.434 -9.844 664 2HB ARG 142 2HB ARG 142 9.008 -9.596 -11.041 665 1HG ARG 142 1HG ARG 142 8.859 -7.586 -12.173 666 2HG ARG 142 2HG ARG 142 7.187 -8.008 -11.839 667 1HD ARG 142 1HD ARG 142 7.148 -6.321 -9.938 668 2HD ARG 142 2HD ARG 142 8.856 -5.952 -10.225 669 HE ARG 142 HE ARG 142 7.488 -5.520 -12.741 670 1HH1 ARG 142 2HH2 ARG 142 7.460 -4.099 -9.479 671 2HH1 ARG 142 1HH2 ARG 142 6.981 -2.472 -10.178 672 1HH2 ARG 142 1HH1 ARG 142 6.945 -3.625 -13.423 673 2HH2 ARG 142 2HH1 ARG 142 6.709 -2.224 -12.261 674 H ASN 143 H ASN 143 9.469 -9.948 -7.743 675 HA ASN 143 HA ASN 143 9.524 -12.909 -8.072 676 1HB ASN 143 1HB ASN 143 11.573 -11.548 -7.595 677 2HB ASN 143 2HB ASN 143 10.961 -11.128 -6.011 678 1HD2 ASN 143 1HD2 ASN 143 12.204 -14.215 -4.619 679 2HD2 ASN 143 2HD2 ASN 143 11.406 -12.583 -4.357 680 H GLN 144 H GLN 144 8.685 -10.864 -5.196 681 HA GLN 144 HA GLN 144 7.480 -13.190 -3.775 682 1HB GLN 144 1HB GLN 144 7.595 -10.189 -3.079 683 2HB GLN 144 2HB GLN 144 6.826 -11.383 -2.046 684 1HG GLN 144 1HG GLN 144 8.987 -12.643 -1.794 685 2HG GLN 144 2HG GLN 144 9.797 -11.484 -2.836 686 1HE2 GLN 144 2HE2 GLN 144 9.012 -10.378 1.057 687 2HE2 GLN 144 1HE2 GLN 144 8.283 -11.896 0.327 688 H GLN 145 H GLN 145 5.368 -13.461 -3.135 689 HA GLN 145 HA GLN 145 3.230 -12.315 -4.992 690 1HB GLN 145 1HB GLN 145 3.637 -14.784 -4.953 691 2HB GLN 145 2HB GLN 145 3.183 -14.843 -3.253 692 1HG GLN 145 1HG GLN 145 0.860 -13.946 -3.895 693 2HG GLN 145 2HG GLN 145 1.361 -13.930 -5.577 694 1HE2 GLN 145 2HE2 GLN 145 0.301 -17.522 -3.879 695 2HE2 GLN 145 1HE2 GLN 145 0.483 -15.994 -2.879 696 H ILE 146 H ILE 146 2.697 -10.379 -3.995 697 HA ILE 146 HA ILE 146 1.737 -10.459 -1.089 698 HB ILE 146 HB ILE 146 2.496 -7.945 -2.599 699 1HG1 ILE 146 1HG1 ILE 146 4.274 -7.914 -0.549 700 2HG1 ILE 146 2HG1 ILE 146 4.056 -9.658 -0.564 701 1HG2 ILE 146 2HG2 ILE 146 0.711 -7.496 -0.924 702 2HG2 ILE 146 3HG2 ILE 146 1.661 -8.308 0.344 703 3HG2 ILE 146 1HG2 ILE 146 2.242 -6.794 -0.398 704 1HD1 ILE 146 1HD1 ILE 146 4.905 -7.935 -2.958 705 2HD1 ILE 146 2HD1 ILE 146 6.012 -8.838 -1.883 706 3HD1 ILE 146 3HD1 ILE 146 4.871 -9.719 -2.925 707 H PHE 147 H PHE 147 -0.323 -10.795 -1.045 708 HA PHE 147 HA PHE 147 -2.271 -9.484 -3.042 709 1HB PHE 147 1HB PHE 147 -2.786 -11.971 -1.335 710 2HB PHE 147 2HB PHE 147 -3.965 -11.177 -2.347 711 HD1 PHE 147 HD1 PHE 147 -1.396 -10.954 -4.665 712 HD2 PHE 147 HD2 PHE 147 -3.637 -13.976 -2.560 713 HE1 PHE 147 HE1 PHE 147 -0.910 -12.568 -6.439 714 HE2 PHE 147 HE2 PHE 147 -3.158 -15.564 -4.369 715 HZ PHE 147 HZ PHE 147 -1.794 -14.869 -6.307 716 H LEU 148 H LEU 148 -3.739 -8.147 -2.253 717 HA LEU 148 HA LEU 148 -3.208 -6.978 0.425 718 1HB LEU 148 1HB LEU 148 -4.834 -6.127 -2.025 719 2HB LEU 148 2HB LEU 148 -5.126 -5.334 -0.507 720 HG LEU 148 HG LEU 148 -2.843 -4.530 -0.301 721 1HD1 LEU 148 2HD1 LEU 148 -2.190 -5.991 -2.930 722 2HD1 LEU 148 3HD1 LEU 148 -1.174 -4.735 -2.172 723 3HD1 LEU 148 1HD1 LEU 148 -1.455 -6.266 -1.336 724 1HD2 LEU 148 2HD2 LEU 148 -4.506 -3.158 -1.575 725 2HD2 LEU 148 3HD2 LEU 148 -2.874 -2.918 -2.224 726 3HD2 LEU 148 1HD2 LEU 148 -4.037 -3.952 -3.093 727 H ARG 149 H ARG 149 -4.289 -7.181 2.194 728 HA ARG 149 HA ARG 149 -7.256 -7.893 2.257 729 1HB ARG 149 1HB ARG 149 -5.171 -9.137 4.176 730 2HB ARG 149 2HB ARG 149 -6.898 -9.196 4.389 731 1HG ARG 149 1HG ARG 149 -6.702 -11.239 3.465 732 2HG ARG 149 2HG ARG 149 -6.995 -10.342 1.979 733 1HD ARG 149 1HD ARG 149 -4.465 -10.222 1.624 734 2HD ARG 149 2HD ARG 149 -4.248 -11.118 3.136 735 HE ARG 149 HE ARG 149 -5.973 -12.621 1.239 736 1HH1 ARG 149 2HH2 ARG 149 -2.560 -11.877 1.915 737 2HH1 ARG 149 1HH2 ARG 149 -2.041 -13.406 1.043 738 1HH2 ARG 149 2HH1 ARG 149 -3.472 -14.699 0.177 739 2HH2 ARG 149 1HH1 ARG 149 -5.267 -14.331 0.272 740 H ASP 150 H ASP 150 -7.991 -7.571 4.538 741 HA ASP 150 HA ASP 150 -7.599 -4.613 5.081 742 1HB ASP 150 1HB ASP 150 -9.709 -4.575 6.198 743 2HB ASP 150 2HB ASP 150 -9.900 -5.420 4.692 744 H ILE 151 H ILE 151 -7.493 -3.706 7.172 745 HA ILE 151 HA ILE 151 -5.479 -5.034 8.905 746 HB ILE 151 HB ILE 151 -5.489 -2.983 10.298 747 1HG1 ILE 151 1HG1 ILE 151 -7.373 -1.664 8.258 748 2HG1 ILE 151 2HG1 ILE 151 -7.908 -2.263 9.819 749 1HG2 ILE 151 2HG2 ILE 151 -3.885 -3.281 8.433 750 2HG2 ILE 151 3HG2 ILE 151 -5.015 -2.496 7.308 751 3HG2 ILE 151 1HG2 ILE 151 -4.286 -1.571 8.643 752 1HD1 ILE 151 2HD1 ILE 151 -6.326 -0.694 11.015 753 2HD1 ILE 151 3HD1 ILE 151 -5.831 -0.017 9.439 754 3HD1 ILE 151 1HD1 ILE 151 -7.511 0.150 9.990 755 H GLU 152 H GLU 152 -5.552 -5.292 11.143 756 HA GLU 152 HA GLU 152 -8.079 -6.710 12.028 757 1HB GLU 152 1HB GLU 152 -5.840 -7.833 12.164 758 2HB GLU 152 2HB GLU 152 -5.290 -6.636 13.329 759 1HG GLU 152 1HG GLU 152 -7.049 -7.387 14.965 760 2HG GLU 152 2HG GLU 152 -7.706 -8.506 13.774 761 HXT GLU 152 HO OH 153 -9.432 -5.500 12.824 No H/Q in entry = 761 Start of MODEL 14 1 1H GLY 58 1H GLY 58 -11.058 -2.737 6.720 2 2H GLY 58 2H GLY 58 -10.024 -2.392 7.938 3 1HA GLY 58 1HA GLY 58 -12.856 -1.513 7.808 4 2HA GLY 58 2HA GLY 58 -11.753 -1.147 9.132 5 H SER 59 H SER 59 -10.493 0.627 8.912 6 HA SER 59 HA SER 59 -10.782 2.336 6.425 7 1HB SER 59 1HB SER 59 -10.012 4.214 7.789 8 2HB SER 59 2HB SER 59 -11.400 3.404 8.505 9 HG SER 59 HG SER 59 -9.939 2.300 9.888 10 H TRP 60 H TRP 60 -9.366 1.662 4.942 11 HA TRP 60 HA TRP 60 -6.523 1.031 5.539 12 1HB TRP 60 1HB TRP 60 -6.143 0.662 3.183 13 2HB TRP 60 2HB TRP 60 -7.409 -0.307 3.864 14 HD1 TRP 60 HD1 TRP 60 -9.938 0.097 3.023 15 HE1 TRP 60 HE1 TRP 60 -11.024 1.121 0.824 16 HE3 TRP 60 HE3 TRP 60 -5.849 2.741 1.584 17 HZ2 TRP 60 HZ2 TRP 60 -10.027 2.937 -1.175 18 HZ3 TRP 60 HZ3 TRP 60 -6.026 4.248 -0.369 19 HH2 TRP 60 HH2 TRP 60 -8.075 4.363 -1.690 20 H PHE 61 H PHE 61 -8.114 3.903 4.102 21 HA PHE 61 HA PHE 61 -5.493 5.101 3.358 22 1HB PHE 61 1HB PHE 61 -7.633 5.411 2.012 23 2HB PHE 61 2HB PHE 61 -8.277 6.415 3.279 24 HD1 PHE 61 HD1 PHE 61 -5.346 6.098 0.894 25 HD2 PHE 61 HD2 PHE 61 -7.670 8.790 3.320 26 HE1 PHE 61 HE1 PHE 61 -4.167 8.012 -0.085 27 HE2 PHE 61 HE2 PHE 61 -6.474 10.697 2.328 28 HZ PHE 61 HZ PHE 61 -4.725 10.318 0.625 29 H PHE 62 H PHE 62 -4.314 6.417 4.509 30 HA PHE 62 HA PHE 62 -5.447 8.126 6.752 31 1HB PHE 62 1HB PHE 62 -2.958 6.408 7.140 32 2HB PHE 62 2HB PHE 62 -3.426 7.699 8.212 33 HD1 PHE 62 HD1 PHE 62 -5.963 7.494 9.226 34 HD2 PHE 62 HD2 PHE 62 -3.658 4.208 7.699 35 HE1 PHE 62 HE1 PHE 62 -7.371 5.909 10.481 36 HE2 PHE 62 HE2 PHE 62 -5.074 2.633 8.949 37 HZ PHE 62 HZ PHE 62 -6.932 3.479 10.343 38 H GLY 63 H GLY 63 -5.254 9.898 5.593 39 1HA GLY 63 1HA GLY 63 -3.160 10.481 3.616 40 2HA GLY 63 2HA GLY 63 -4.398 11.591 4.158 41 H LYS 64 H LYS 64 -1.152 10.859 4.295 42 HA LYS 64 HA LYS 64 0.727 11.775 5.218 43 1HB LYS 64 1HB LYS 64 -0.244 13.959 4.505 44 2HB LYS 64 2HB LYS 64 -0.918 14.189 6.102 45 1HG LYS 64 1HG LYS 64 1.114 15.495 5.909 46 2HG LYS 64 2HG LYS 64 1.353 14.256 7.118 47 1HD LYS 64 1HD LYS 64 3.398 14.471 5.823 48 2HD LYS 64 2HD LYS 64 2.719 12.891 5.533 49 1HE LYS 64 1HE LYS 64 3.533 13.695 3.419 50 2HE LYS 64 2HE LYS 64 1.786 13.708 3.292 51 1HZ LYS 64 1HZ LYS 64 3.493 16.090 3.854 52 2HZ LYS 64 2HZ LYS 64 2.759 15.738 2.416 53 3HZ LYS 64 3HZ LYS 64 1.845 16.122 3.738 54 H ILE 65 H ILE 65 0.683 9.905 6.546 55 HA ILE 65 HA ILE 65 0.385 10.433 9.503 56 HB ILE 65 HB ILE 65 -1.303 8.990 8.395 57 1HG1 ILE 65 1HG1 ILE 65 -0.751 8.744 10.792 58 2HG1 ILE 65 2HG1 ILE 65 -1.571 7.405 10.013 59 1HG2 ILE 65 2HG2 ILE 65 -0.123 7.876 6.564 60 2HG2 ILE 65 3HG2 ILE 65 0.909 6.972 7.696 61 3HG2 ILE 65 1HG2 ILE 65 -0.831 6.655 7.635 62 1HD1 ILE 65 3HD1 ILE 65 0.559 6.083 9.918 63 2HD1 ILE 65 1HD1 ILE 65 1.432 7.422 10.703 64 3HD1 ILE 65 2HD1 ILE 65 0.147 6.558 11.580 65 HA PRO 66 HA PRO 66 4.914 9.945 9.247 66 1HB PRO 66 1HB PRO 66 5.602 9.477 11.929 67 2HB PRO 66 2HB PRO 66 5.160 11.045 11.236 68 1HG PRO 66 1HG PRO 66 3.347 9.084 12.718 69 2HG PRO 66 2HG PRO 66 3.518 10.831 12.999 70 1HD PRO 66 1HD PRO 66 1.443 9.849 11.492 71 2HD PRO 66 2HD PRO 66 2.238 11.373 11.001 72 H ARG 67 H ARG 67 6.448 8.421 8.984 73 HA ARG 67 HA ARG 67 5.591 5.787 8.323 74 1HB ARG 67 1HB ARG 67 7.605 7.166 7.437 75 2HB ARG 67 2HB ARG 67 8.542 6.541 8.773 76 1HG ARG 67 1HG ARG 67 8.077 4.168 7.965 77 2HG ARG 67 2HG ARG 67 7.106 4.823 6.647 78 1HD ARG 67 1HD ARG 67 9.121 6.003 5.707 79 2HD ARG 67 2HD ARG 67 10.115 5.398 7.048 80 HE ARG 67 HE ARG 67 8.909 3.063 5.852 81 1HH1 ARG 67 2HH2 ARG 67 11.197 5.593 4.847 82 2HH1 ARG 67 1HH2 ARG 67 12.025 4.412 3.713 83 1HH2 ARG 67 1HH1 ARG 67 9.927 1.807 4.532 84 2HH2 ARG 67 2HH1 ARG 67 11.353 2.414 3.549 85 H ALA 68 H ALA 68 7.237 6.716 11.277 86 HA ALA 68 HA ALA 68 7.754 3.954 12.291 87 1HB ALA 68 2HB ALA 68 9.130 5.850 13.126 88 2HB ALA 68 3HB ALA 68 7.698 6.604 13.873 89 3HB ALA 68 1HB ALA 68 8.302 5.039 14.469 90 H LYS 69 H LYS 69 5.143 6.348 13.009 91 HA LYS 69 HA LYS 69 3.571 4.515 14.694 92 1HB LYS 69 1HB LYS 69 3.368 7.064 14.623 93 2HB LYS 69 2HB LYS 69 2.529 6.916 13.085 94 1HG LYS 69 1HG LYS 69 0.689 5.590 14.229 95 2HG LYS 69 2HG LYS 69 1.605 5.612 15.728 96 1HD LYS 69 1HD LYS 69 -0.073 7.274 15.978 97 2HD LYS 69 2HD LYS 69 1.444 8.146 15.796 98 1HE LYS 69 1HE LYS 69 0.858 8.567 13.329 99 2HE LYS 69 2HE LYS 69 -0.672 7.712 13.567 100 1HZ LYS 69 1HZ LYS 69 0.156 10.181 15.017 101 2HZ LYS 69 2HZ LYS 69 -0.944 10.101 13.786 102 3HZ LYS 69 3HZ LYS 69 -1.275 9.385 15.238 103 H ALA 70 H ALA 70 3.633 4.993 11.178 104 HA ALA 70 HA ALA 70 1.324 3.252 10.519 105 1HB ALA 70 2HB ALA 70 2.220 4.875 8.839 106 2HB ALA 70 3HB ALA 70 3.772 4.009 8.783 107 3HB ALA 70 1HB ALA 70 2.292 3.222 8.197 108 H GLU 71 H GLU 71 4.827 2.595 10.777 109 HA GLU 71 HA GLU 71 4.666 -0.293 10.206 110 1HB GLU 71 1HB GLU 71 6.826 1.421 11.579 111 2HB GLU 71 2HB GLU 71 7.023 -0.299 11.294 112 1HG GLU 71 1HG GLU 71 6.830 -0.017 8.834 113 2HG GLU 71 2HG GLU 71 6.478 1.691 8.999 114 H GLU 72 H GLU 72 4.592 1.488 13.339 115 HA GLU 72 HA GLU 72 4.489 -0.894 15.026 116 1HB GLU 72 1HB GLU 72 3.559 1.981 15.579 117 2HB GLU 72 2HB GLU 72 3.481 0.723 16.788 118 1HG GLU 72 1HG GLU 72 6.102 1.653 15.458 119 2HG GLU 72 2HG GLU 72 5.485 2.222 16.996 120 H MET 73 H MET 73 1.797 1.052 13.652 121 HA MET 73 HA MET 73 -0.344 -0.579 14.893 122 1HB MET 73 1HB MET 73 -0.338 1.504 12.636 123 2HB MET 73 2HB MET 73 -1.761 0.538 12.945 124 1HG MET 73 1HG MET 73 -1.985 2.651 14.114 125 2HG MET 73 2HG MET 73 -1.941 1.336 15.287 126 1HE MET 73 3HE MET 73 -0.869 2.064 17.519 127 2HE MET 73 2HE MET 73 0.271 0.834 16.889 128 3HE MET 73 1HE MET 73 0.895 2.345 17.610 129 H LEU 74 H LEU 74 1.187 -0.761 11.643 130 HA LEU 74 HA LEU 74 -0.441 -3.108 10.826 131 1HB LEU 74 1HB LEU 74 2.164 -2.039 9.620 132 2HB LEU 74 2HB LEU 74 1.211 -3.345 8.943 133 HG LEU 74 HG LEU 74 0.254 -0.447 9.246 134 1HD1 LEU 74 3HD1 LEU 74 1.135 -2.091 6.790 135 2HD1 LEU 74 1HD1 LEU 74 0.381 -0.485 6.712 136 3HD1 LEU 74 2HD1 LEU 74 1.958 -0.672 7.494 137 1HD2 LEU 74 2HD2 LEU 74 -1.254 -2.844 8.009 138 2HD2 LEU 74 3HD2 LEU 74 -1.747 -1.898 9.430 139 3HD2 LEU 74 1HD2 LEU 74 -1.732 -1.137 7.837 140 H SER 75 H SER 75 2.672 -2.907 12.531 141 HA SER 75 HA SER 75 3.278 -5.793 12.360 142 1HB SER 75 1HB SER 75 4.842 -5.478 14.207 143 2HB SER 75 2HB SER 75 5.049 -4.220 12.995 144 HG SER 75 HG SER 75 3.770 -2.851 14.323 145 H LYS 76 H LYS 76 1.209 -3.924 14.561 146 HA LYS 76 HA LYS 76 0.428 -6.150 16.345 147 1HB LYS 76 1HB LYS 76 -1.034 -3.534 15.638 148 2HB LYS 76 2HB LYS 76 -1.615 -4.676 16.833 149 1HG LYS 76 1HG LYS 76 0.303 -4.327 18.307 150 2HG LYS 76 2HG LYS 76 1.172 -3.416 17.087 151 1HD LYS 76 1HD LYS 76 0.317 -1.822 18.674 152 2HD LYS 76 2HD LYS 76 -0.488 -1.579 17.143 153 1HE LYS 76 1HE LYS 76 -2.142 -1.305 18.883 154 2HE LYS 76 2HE LYS 76 -2.555 -2.784 18.024 155 1HZ LYS 76 2HZ LYS 76 -1.112 -2.647 20.635 156 2HZ LYS 76 3HZ LYS 76 -2.694 -3.075 20.420 157 3HZ LYS 76 1HZ LYS 76 -1.489 -4.047 19.843 158 H GLN 77 H GLN 77 -0.900 -5.034 13.203 159 HA GLN 77 HA GLN 77 -3.145 -6.890 13.058 160 1HB GLN 77 1HB GLN 77 -1.601 -5.251 10.986 161 2HB GLN 77 2HB GLN 77 -2.504 -6.616 10.403 162 1HG GLN 77 1HG GLN 77 -3.917 -4.747 10.164 163 2HG GLN 77 2HG GLN 77 -4.600 -5.817 11.355 164 1HE2 GLN 77 2HE2 GLN 77 -3.823 -1.977 12.428 165 2HE2 GLN 77 1HE2 GLN 77 -3.448 -2.632 10.754 166 H ARG 78 H ARG 78 -3.074 -8.881 13.044 167 HA ARG 78 HA ARG 78 -0.767 -10.647 12.768 168 1HB ARG 78 1HB ARG 78 -2.317 -12.486 13.196 169 2HB ARG 78 2HB ARG 78 -2.619 -11.152 14.279 170 1HG ARG 78 1HG ARG 78 -4.627 -10.456 12.906 171 2HG ARG 78 2HG ARG 78 -4.334 -11.756 11.770 172 1HD ARG 78 1HD ARG 78 -4.977 -12.169 14.765 173 2HD ARG 78 2HD ARG 78 -6.172 -12.164 13.462 174 HE ARG 78 HE ARG 78 -4.131 -14.136 12.774 175 1HH1 ARG 78 2HH2 ARG 78 -6.777 -13.706 15.111 176 2HH1 ARG 78 1HH2 ARG 78 -6.982 -15.526 15.233 177 1HH2 ARG 78 1HH1 ARG 78 -4.453 -16.187 12.990 178 2HH2 ARG 78 2HH1 ARG 78 -5.754 -16.834 14.112 179 H HIS 79 H HIS 79 -2.925 -9.685 10.196 180 HA HIS 79 HA HIS 79 -2.641 -12.172 8.645 181 1HB HIS 79 1HB HIS 79 -3.826 -9.490 7.698 182 2HB HIS 79 2HB HIS 79 -4.053 -11.045 6.944 183 HD2 HIS 79 HD2 HIS 79 -5.364 -13.005 8.621 184 HE1 HIS 79 HE1 HIS 79 -7.430 -10.155 10.825 185 HE2 HIS 79 HE2 HIS 79 -7.378 -12.675 10.325 186 H ASP 80 H ASP 80 -1.675 -12.567 6.758 187 HA ASP 80 HA ASP 80 0.653 -10.886 5.805 188 1HB ASP 80 1HB ASP 80 -0.444 -13.593 4.799 189 2HB ASP 80 2HB ASP 80 0.829 -12.704 3.991 190 H GLY 81 H GLY 81 0.167 -9.198 4.617 191 1HA GLY 81 1HA GLY 81 -0.850 -8.320 2.437 192 2HA GLY 81 2HA GLY 81 -2.350 -9.127 2.849 193 H ALA 82 H ALA 82 -1.645 -8.056 5.839 194 HA ALA 82 HA ALA 82 -3.661 -6.021 5.766 195 1HB ALA 82 1HB ALA 82 -3.234 -7.311 7.801 196 2HB ALA 82 2HB ALA 82 -1.629 -6.565 8.007 197 3HB ALA 82 3HB ALA 82 -3.107 -5.582 8.155 198 H PHE 83 H PHE 83 -3.494 -4.053 4.875 199 HA PHE 83 HA PHE 83 -0.832 -2.547 4.957 200 1HB PHE 83 1HB PHE 83 -0.990 -2.032 2.696 201 2HB PHE 83 2HB PHE 83 -1.448 -3.686 2.754 202 HD1 PHE 83 HD1 PHE 83 -4.074 -4.199 2.648 203 HD2 PHE 83 HD2 PHE 83 -2.462 -0.325 1.777 204 HE1 PHE 83 HE1 PHE 83 -6.293 -3.442 1.868 205 HE2 PHE 83 HE2 PHE 83 -4.636 0.383 0.895 206 HZ PHE 83 HZ PHE 83 -6.569 -1.166 0.966 207 H LEU 84 H LEU 84 -0.895 -0.309 4.347 208 HA LEU 84 HA LEU 84 -3.404 1.221 4.507 209 1HB LEU 84 1HB LEU 84 -3.035 2.753 6.242 210 2HB LEU 84 2HB LEU 84 -2.904 1.160 6.906 211 HG LEU 84 HG LEU 84 -0.229 1.606 6.617 212 1HD1 LEU 84 3HD2 LEU 84 -1.336 4.480 6.871 213 2HD1 LEU 84 1HD2 LEU 84 0.361 4.009 7.119 214 3HD1 LEU 84 2HD2 LEU 84 -0.368 3.858 5.523 215 1HD2 LEU 84 2HD1 LEU 84 -1.448 1.154 8.789 216 2HD2 LEU 84 3HD1 LEU 84 -0.144 2.336 8.967 217 3HD2 LEU 84 1HD1 LEU 84 -1.840 2.883 8.921 218 H ILE 85 H ILE 85 -3.322 2.866 3.037 219 HA ILE 85 HA ILE 85 -0.707 3.431 1.641 220 HB ILE 85 HB ILE 85 -3.596 4.243 1.071 221 1HG1 ILE 85 1HG1 ILE 85 -1.454 2.760 -0.603 222 2HG1 ILE 85 2HG1 ILE 85 -2.543 1.930 0.496 223 1HG2 ILE 85 3HG2 ILE 85 -1.126 5.307 -0.460 224 2HG2 ILE 85 1HG2 ILE 85 -2.821 5.464 -0.993 225 3HG2 ILE 85 2HG2 ILE 85 -2.288 6.283 0.471 226 1HD1 ILE 85 1HD1 ILE 85 -3.578 3.548 -1.889 227 2HD1 ILE 85 2HD1 ILE 85 -3.292 1.794 -1.858 228 3HD1 ILE 85 3HD1 ILE 85 -4.502 2.495 -0.777 229 H ARG 86 H ARG 86 0.615 4.701 2.521 230 HA ARG 86 HA ARG 86 -0.070 7.064 4.312 231 1HB ARG 86 1HB ARG 86 1.619 5.381 5.056 232 2HB ARG 86 2HB ARG 86 2.562 5.593 3.586 233 1HG ARG 86 1HG ARG 86 3.076 7.986 4.278 234 2HG ARG 86 2HG ARG 86 2.113 7.750 5.718 235 1HD ARG 86 1HD ARG 86 4.368 7.427 6.464 236 2HD ARG 86 2HD ARG 86 3.721 5.807 6.372 237 HE ARG 86 HE ARG 86 5.099 5.326 4.400 238 1HH1 ARG 86 2HH2 ARG 86 5.594 8.675 5.494 239 2HH1 ARG 86 1HH2 ARG 86 7.092 8.807 4.443 240 1HH2 ARG 86 1HH1 ARG 86 6.813 5.592 3.247 241 2HH2 ARG 86 2HH1 ARG 86 7.733 7.179 3.259 242 H GLU 87 H GLU 87 0.272 9.162 3.635 243 HA GLU 87 HA GLU 87 1.238 9.709 0.812 244 1HB GLU 87 1HB GLU 87 -0.745 10.988 1.799 245 2HB GLU 87 2HB GLU 87 0.384 11.831 2.848 246 1HG GLU 87 1HG GLU 87 1.637 12.689 0.804 247 2HG GLU 87 2HG GLU 87 0.536 11.804 -0.246 248 H SER 88 H SER 88 3.275 10.179 0.407 249 HA SER 88 HA SER 88 5.326 9.644 2.354 250 1HB SER 88 1HB SER 88 5.684 10.846 -0.463 251 2HB SER 88 2HB SER 88 6.964 10.147 0.529 252 HG SER 88 HG SER 88 5.779 8.196 0.556 253 H GLU 89 H GLU 89 6.443 10.857 3.658 254 HA GLU 89 HA GLU 89 5.714 13.604 4.260 255 1HB GLU 89 1HB GLU 89 8.039 11.907 5.321 256 2HB GLU 89 2HB GLU 89 7.622 13.493 5.955 257 1HG GLU 89 1HG GLU 89 5.345 12.719 6.633 258 2HG GLU 89 2HG GLU 89 5.630 11.131 5.934 259 H SER 90 H SER 90 8.838 12.436 2.897 260 HA SER 90 HA SER 90 9.928 15.125 2.389 261 1HB SER 90 1HB SER 90 11.338 13.053 2.565 262 2HB SER 90 2HB SER 90 10.679 12.463 1.034 263 HG SER 90 HG SER 90 12.061 14.911 1.460 264 H ALA 91 H ALA 91 7.950 12.949 0.314 265 HA ALA 91 HA ALA 91 7.838 15.156 -1.833 266 1HB ALA 91 3HB ALA 91 7.554 12.121 -2.206 267 2HB ALA 91 1HB ALA 91 7.342 13.360 -3.467 268 3HB ALA 91 2HB ALA 91 8.927 13.142 -2.700 269 HA PRO 92 HA PRO 92 3.487 14.852 0.005 270 1HB PRO 92 1HB PRO 92 2.741 17.523 -0.289 271 2HB PRO 92 2HB PRO 92 3.721 16.904 1.049 272 1HG PRO 92 1HG PRO 92 4.712 18.276 -1.495 273 2HG PRO 92 2HG PRO 92 5.181 18.619 0.187 274 1HD PRO 92 1HD PRO 92 6.716 17.029 -1.465 275 2HD PRO 92 2HD PRO 92 6.610 16.686 0.289 276 H GLY 93 H GLY 93 1.793 14.233 -1.136 277 1HA GLY 93 1HA GLY 93 0.218 14.246 -3.090 278 2HA GLY 93 2HA GLY 93 1.437 14.983 -4.107 279 H ASP 94 H ASP 94 3.574 13.106 -3.110 280 HA ASP 94 HA ASP 94 3.007 10.696 -4.844 281 1HB ASP 94 1HB ASP 94 5.310 11.935 -4.712 282 2HB ASP 94 2HB ASP 94 5.497 11.291 -3.096 283 H PHE 95 H PHE 95 2.545 8.713 -4.015 284 HA PHE 95 HA PHE 95 2.077 8.423 -1.005 285 1HB PHE 95 1HB PHE 95 0.666 7.174 -3.453 286 2HB PHE 95 2HB PHE 95 0.426 6.589 -1.838 287 HD1 PHE 95 HD1 PHE 95 -0.664 8.044 -0.068 288 HD2 PHE 95 HD2 PHE 95 -0.335 9.371 -4.148 289 HE1 PHE 95 HE1 PHE 95 -2.305 9.816 0.366 290 HE2 PHE 95 HE2 PHE 95 -1.983 11.143 -3.690 291 HZ PHE 95 HZ PHE 95 -2.974 11.366 -1.439 292 H SER 96 H SER 96 2.283 6.369 -0.069 293 HA SER 96 HA SER 96 4.189 4.361 -1.382 294 1HB SER 96 1HB SER 96 4.511 5.453 1.500 295 2HB SER 96 2HB SER 96 5.345 4.036 0.851 296 HG SER 96 HG SER 96 6.203 5.370 -0.782 297 H LEU 97 H LEU 97 3.033 2.589 -1.461 298 HA LEU 97 HA LEU 97 0.675 1.906 0.286 299 1HB LEU 97 1HB LEU 97 0.687 1.451 -2.123 300 2HB LEU 97 2HB LEU 97 2.151 0.486 -2.008 301 HG LEU 97 HG LEU 97 0.801 -1.102 -0.470 302 1HD1 LEU 97 3HD2 LEU 97 -1.156 0.284 0.012 303 2HD1 LEU 97 1HD2 LEU 97 -1.613 0.314 -1.716 304 3HD1 LEU 97 2HD2 LEU 97 -1.659 -1.211 -0.795 305 1HD2 LEU 97 2HD1 LEU 97 1.478 -1.671 -2.819 306 2HD2 LEU 97 3HD1 LEU 97 -0.090 -2.389 -2.409 307 3HD2 LEU 97 1HD1 LEU 97 -0.020 -0.936 -3.441 308 H SER 98 H SER 98 1.192 1.368 2.227 309 HA SER 98 HA SER 98 3.801 0.026 3.115 310 1HB SER 98 1HB SER 98 1.651 1.161 4.926 311 2HB SER 98 2HB SER 98 3.335 0.894 5.302 312 HG SER 98 HG SER 98 2.875 3.043 4.877 313 H VAL 99 H VAL 99 3.453 -2.206 2.585 314 HA VAL 99 HA VAL 99 0.878 -3.532 3.615 315 HB VAL 99 HB VAL 99 2.739 -4.760 1.506 316 1HG1 VAL 99 3HG1 VAL 99 -0.139 -5.412 2.420 317 2HG1 VAL 99 1HG1 VAL 99 0.601 -6.108 0.976 318 3HG1 VAL 99 2HG1 VAL 99 1.294 -6.445 2.571 319 1HG2 VAL 99 1HG2 VAL 99 0.231 -3.077 0.918 320 2HG2 VAL 99 2HG2 VAL 99 1.920 -2.705 0.475 321 3HG2 VAL 99 3HG2 VAL 99 1.108 -4.094 -0.256 322 H LYS 100 H LYS 100 1.103 -4.748 5.321 323 HA LYS 100 HA LYS 100 3.735 -5.930 6.253 324 1HB LYS 100 1HB LYS 100 2.155 -4.911 7.872 325 2HB LYS 100 2HB LYS 100 0.960 -6.147 7.564 326 1HG LYS 100 1HG LYS 100 3.809 -6.948 8.446 327 2HG LYS 100 2HG LYS 100 2.725 -6.233 9.618 328 1HD LYS 100 1HD LYS 100 1.016 -8.035 9.260 329 2HD LYS 100 2HD LYS 100 2.006 -8.751 8.001 330 1HE LYS 100 1HE LYS 100 2.343 -10.084 9.955 331 2HE LYS 100 2HE LYS 100 3.848 -9.223 9.649 332 1HZ LYS 100 1HZ LYS 100 1.811 -8.459 11.690 333 2HZ LYS 100 2HZ LYS 100 3.262 -9.189 11.991 334 3HZ LYS 100 3HZ LYS 100 3.221 -7.642 11.414 335 H PHE 101 H PHE 101 4.314 -7.576 4.930 336 HA PHE 101 HA PHE 101 2.380 -9.929 4.596 337 1HB PHE 101 1HB PHE 101 2.788 -8.556 2.424 338 2HB PHE 101 2HB PHE 101 4.420 -9.164 2.422 339 HD1 PHE 101 HD1 PHE 101 4.780 -11.731 2.179 340 HD2 PHE 101 HD2 PHE 101 0.878 -9.958 1.802 341 HE1 PHE 101 HE1 PHE 101 3.923 -13.801 1.162 342 HE2 PHE 101 HE2 PHE 101 0.038 -12.036 0.798 343 HZ PHE 101 HZ PHE 101 1.555 -13.960 0.472 344 H GLY 102 H GLY 102 3.111 -11.522 5.744 345 1HA GLY 102 1HA GLY 102 4.632 -13.252 6.518 346 2HA GLY 102 2HA GLY 102 6.002 -12.421 5.801 347 H ASN 103 H ASN 103 7.186 -11.129 7.117 348 HA ASN 103 HA ASN 103 6.025 -9.862 9.581 349 1HB ASN 103 1HB ASN 103 6.952 -12.139 10.344 350 2HB ASN 103 2HB ASN 103 8.556 -11.599 9.896 351 1HD2 ASN 103 1HD2 ASN 103 8.885 -10.008 13.115 352 2HD2 ASN 103 2HD2 ASN 103 9.660 -10.711 11.608 353 H ASP 104 H ASP 104 6.391 -8.495 7.459 354 HA ASP 104 HA ASP 104 8.499 -6.511 8.188 355 1HB ASP 104 1HB ASP 104 8.619 -7.690 5.328 356 2HB ASP 104 2HB ASP 104 9.437 -6.235 5.869 357 H VAL 105 H VAL 105 7.814 -4.559 7.661 358 HA VAL 105 HA VAL 105 5.177 -4.186 6.153 359 HB VAL 105 HB VAL 105 6.588 -2.170 7.958 360 1HG1 VAL 105 2HG1 VAL 105 5.187 -1.097 6.109 361 2HG1 VAL 105 3HG1 VAL 105 3.783 -2.041 6.621 362 3HG1 VAL 105 1HG1 VAL 105 4.479 -0.805 7.705 363 1HG2 VAL 105 3HG2 VAL 105 5.591 -3.997 9.356 364 2HG2 VAL 105 1HG2 VAL 105 4.669 -2.500 9.553 365 3HG2 VAL 105 2HG2 VAL 105 4.028 -3.806 8.531 366 H GLN 106 H GLN 106 5.582 -3.969 4.115 367 HA GLN 106 HA GLN 106 8.231 -2.884 3.065 368 1HB GLN 106 1HB GLN 106 6.118 -4.752 1.838 369 2HB GLN 106 2HB GLN 106 7.462 -4.085 0.919 370 1HG GLN 106 1HG GLN 106 9.147 -5.139 2.307 371 2HG GLN 106 2HG GLN 106 7.969 -5.642 3.507 372 1HE2 GLN 106 2HE2 GLN 106 8.466 -8.045 0.229 373 2HE2 GLN 106 1HE2 GLN 106 9.375 -6.465 0.440 374 H HIS 107 H HIS 107 8.197 -0.905 2.448 375 HA HIS 107 HA HIS 107 5.668 0.577 1.721 376 1HB HIS 107 1HB HIS 107 8.523 1.400 2.524 377 2HB HIS 107 2HB HIS 107 7.429 2.529 1.815 378 HD2 HIS 107 HD2 HIS 107 7.147 -0.040 4.812 379 HE1 HIS 107 HE1 HIS 107 4.963 3.273 5.873 380 HE2 HIS 107 HE2 HIS 107 5.805 1.064 6.790 381 H PHE 108 H PHE 108 5.185 -0.016 -0.285 382 HA PHE 108 HA PHE 108 7.220 -0.043 -2.525 383 1HB PHE 108 1HB PHE 108 4.239 -0.727 -2.694 384 2HB PHE 108 2HB PHE 108 5.423 -0.967 -3.940 385 HD1 PHE 108 HD1 PHE 108 7.394 -2.628 -3.522 386 HD2 PHE 108 HD2 PHE 108 3.897 -2.489 -1.016 387 HE1 PHE 108 HE1 PHE 108 7.857 -4.909 -2.730 388 HE2 PHE 108 HE2 PHE 108 4.354 -4.790 -0.271 389 HZ PHE 108 HZ PHE 108 6.334 -6.001 -1.124 390 H LYS 109 H LYS 109 7.466 1.631 -3.760 391 HA LYS 109 HA LYS 109 6.105 4.173 -3.146 392 1HB LYS 109 1HB LYS 109 8.181 3.582 -5.353 393 2HB LYS 109 2HB LYS 109 7.608 5.182 -4.957 394 1HG LYS 109 1HG LYS 109 9.185 3.332 -3.074 395 2HG LYS 109 2HG LYS 109 9.835 4.680 -3.979 396 1HD LYS 109 1HD LYS 109 7.796 4.879 -1.675 397 2HD LYS 109 2HD LYS 109 9.519 5.205 -1.581 398 1HE LYS 109 1HE LYS 109 9.227 7.120 -3.275 399 2HE LYS 109 2HE LYS 109 7.481 6.833 -3.245 400 1HZ LYS 109 1HZ LYS 109 9.133 7.570 -0.878 401 2HZ LYS 109 2HZ LYS 109 8.121 8.579 -1.707 402 3HZ LYS 109 3HZ LYS 109 7.502 7.308 -0.854 403 H VAL 110 H VAL 110 4.349 4.890 -3.927 404 HA VAL 110 HA VAL 110 3.195 4.053 -6.638 405 HB VAL 110 HB VAL 110 1.885 5.442 -4.230 406 1HG1 VAL 110 2HG1 VAL 110 0.802 6.259 -6.335 407 2HG1 VAL 110 3HG1 VAL 110 0.568 4.586 -6.891 408 3HG1 VAL 110 1HG1 VAL 110 -0.295 5.191 -5.451 409 1HG2 VAL 110 1HG2 VAL 110 2.239 2.981 -3.827 410 2HG2 VAL 110 2HG2 VAL 110 0.521 3.383 -3.966 411 3HG2 VAL 110 3HG2 VAL 110 1.362 2.611 -5.330 412 H LEU 111 H LEU 111 4.273 5.272 -8.097 413 HA LEU 111 HA LEU 111 4.542 8.281 -7.665 414 1HB LEU 111 1HB LEU 111 6.104 8.257 -9.559 415 2HB LEU 111 2HB LEU 111 6.665 7.435 -8.142 416 HG LEU 111 HG LEU 111 5.357 5.680 -10.247 417 1HD1 LEU 111 3HD2 LEU 111 6.814 7.235 -11.630 418 2HD1 LEU 111 1HD2 LEU 111 8.220 6.837 -10.616 419 3HD1 LEU 111 2HD2 LEU 111 7.464 5.583 -11.631 420 1HD2 LEU 111 3HD1 LEU 111 6.266 4.598 -8.192 421 2HD2 LEU 111 1HD1 LEU 111 7.151 4.057 -9.623 422 3HD2 LEU 111 2HD1 LEU 111 7.884 5.253 -8.523 423 H ARG 112 H ARG 112 3.842 9.726 -9.208 424 HA ARG 112 HA ARG 112 1.328 8.788 -10.679 425 1HB ARG 112 1HB ARG 112 2.043 11.534 -9.483 426 2HB ARG 112 2HB ARG 112 0.576 11.202 -10.391 427 1HG ARG 112 1HG ARG 112 -0.229 9.576 -8.712 428 2HG ARG 112 2HG ARG 112 1.294 9.635 -7.848 429 1HD ARG 112 1HD ARG 112 -0.122 10.932 -6.536 430 2HD ARG 112 2HD ARG 112 0.912 12.115 -7.332 431 HE ARG 112 HE ARG 112 -1.423 11.939 -9.001 432 1HH1 ARG 112 2HH2 ARG 112 -0.816 12.786 -5.599 433 2HH1 ARG 112 1HH2 ARG 112 -2.329 13.824 -5.573 434 1HH2 ARG 112 1HH1 ARG 112 -3.127 13.152 -8.848 435 2HH2 ARG 112 2HH1 ARG 112 -3.542 14.014 -7.283 436 H ASP 113 H ASP 113 1.203 8.964 -12.815 437 HA ASP 113 HA ASP 113 3.398 10.293 -14.376 438 1HB ASP 113 1HB ASP 113 2.513 9.309 -16.424 439 2HB ASP 113 2HB ASP 113 3.022 8.175 -15.218 440 H GLY 114 H GLY 114 -0.184 10.523 -14.866 441 1HA GLY 114 1HA GLY 114 0.225 13.213 -16.199 442 2HA GLY 114 2HA GLY 114 -1.252 12.275 -16.168 443 H ALA 115 H ALA 115 -2.802 13.108 -14.931 444 HA ALA 115 HA ALA 115 -2.265 15.216 -12.833 445 1HB ALA 115 2HB ALA 115 -4.131 15.635 -14.383 446 2HB ALA 115 3HB ALA 115 -4.958 14.146 -13.863 447 3HB ALA 115 1HB ALA 115 -4.725 15.487 -12.717 448 H GLY 116 H GLY 116 -4.402 12.311 -12.688 449 1HA GLY 116 1HA GLY 116 -2.892 11.366 -10.183 450 2HA GLY 116 2HA GLY 116 -4.640 11.506 -10.111 451 H LYS 117 H LYS 117 -2.112 10.147 -12.241 452 HA LYS 117 HA LYS 117 -3.710 7.521 -12.480 453 1HB LYS 117 1HB LYS 117 -1.771 8.841 -14.445 454 2HB LYS 117 2HB LYS 117 -1.882 7.103 -14.362 455 1HG LYS 117 1HG LYS 117 -3.319 7.800 -16.126 456 2HG LYS 117 2HG LYS 117 -4.274 7.076 -14.853 457 1HD LYS 117 1HD LYS 117 -5.493 8.944 -15.746 458 2HD LYS 117 2HD LYS 117 -5.053 9.337 -14.093 459 1HE LYS 117 1HE LYS 117 -3.134 10.785 -14.950 460 2HE LYS 117 2HE LYS 117 -3.555 10.356 -16.615 461 1HZ LYS 117 2HZ LYS 117 -5.343 11.789 -14.707 462 2HZ LYS 117 3HZ LYS 117 -4.524 12.472 -15.969 463 3HZ LYS 117 1HZ LYS 117 -5.740 11.392 -16.261 464 H TYR 118 H TYR 118 -3.136 6.670 -10.664 465 HA TYR 118 HA TYR 118 -0.438 6.888 -9.415 466 1HB TYR 118 1HB TYR 118 -2.937 5.294 -8.499 467 2HB TYR 118 2HB TYR 118 -1.540 5.615 -7.530 468 HD1 TYR 118 HD1 TYR 118 -1.120 7.952 -6.607 469 HD2 TYR 118 HD2 TYR 118 -4.684 7.027 -8.842 470 HE1 TYR 118 HE1 TYR 118 -2.201 9.990 -5.767 471 HE2 TYR 118 HE2 TYR 118 -5.736 9.070 -8.005 472 HH TYR 118 HH TYR 118 -4.015 11.256 -5.772 473 H PHE 119 H PHE 119 1.143 5.579 -10.097 474 HA PHE 119 HA PHE 119 0.550 2.650 -10.741 475 1HB PHE 119 1HB PHE 119 1.620 2.614 -12.755 476 2HB PHE 119 2HB PHE 119 0.690 4.072 -12.835 477 HD1 PHE 119 HD1 PHE 119 1.940 6.374 -12.474 478 HD2 PHE 119 HD2 PHE 119 3.991 2.655 -13.157 479 HE1 PHE 119 HE1 PHE 119 3.966 7.599 -13.144 480 HE2 PHE 119 HE2 PHE 119 5.987 3.902 -13.886 481 HZ PHE 119 HZ PHE 119 5.970 6.373 -13.901 482 H LEU 120 H LEU 120 1.888 1.221 -10.012 483 HA LEU 120 HA LEU 120 4.567 2.036 -8.808 484 1HB LEU 120 1HB LEU 120 4.368 0.665 -6.896 485 2HB LEU 120 2HB LEU 120 3.123 1.877 -6.912 486 HG LEU 120 HG LEU 120 2.635 -1.107 -7.513 487 1HD1 LEU 120 2HD1 LEU 120 2.175 0.497 -4.919 488 2HD1 LEU 120 3HD1 LEU 120 1.631 -1.166 -5.222 489 3HD1 LEU 120 1HD1 LEU 120 3.364 -0.798 -5.183 490 1HD2 LEU 120 2HD2 LEU 120 0.634 1.216 -7.147 491 2HD2 LEU 120 3HD2 LEU 120 0.808 0.156 -8.564 492 3HD2 LEU 120 1HD2 LEU 120 0.173 -0.498 -7.053 493 H TRP 121 H TRP 121 2.651 -0.830 -9.861 494 HA TRP 121 HA TRP 121 5.185 -2.426 -10.287 495 1HB TRP 121 1HB TRP 121 3.378 -3.350 -8.908 496 2HB TRP 121 2HB TRP 121 2.215 -3.179 -10.195 497 HD1 TRP 121 HD1 TRP 121 5.556 -5.226 -9.512 498 HE1 TRP 121 HE1 TRP 121 5.265 -7.701 -10.369 499 HE3 TRP 121 HE3 TRP 121 1.018 -4.530 -11.759 500 HZ2 TRP 121 HZ2 TRP 121 3.154 -9.055 -11.768 501 HZ3 TRP 121 HZ3 TRP 121 -0.078 -6.451 -12.846 502 HH2 TRP 121 HH2 TRP 121 0.965 -8.680 -12.841 503 H VAL 122 H VAL 122 2.215 -2.488 -12.313 504 HA VAL 122 HA VAL 122 3.928 -1.963 -14.799 505 HB VAL 122 HB VAL 122 1.970 -4.228 -14.533 506 1HG1 VAL 122 3HG2 VAL 122 1.808 -3.285 -16.846 507 2HG1 VAL 122 1HG2 VAL 122 3.574 -3.381 -17.032 508 3HG1 VAL 122 2HG2 VAL 122 2.598 -4.866 -16.888 509 1HG2 VAL 122 2HG1 VAL 122 4.212 -4.796 -13.521 510 2HG2 VAL 122 3HG1 VAL 122 3.905 -5.748 -14.978 511 3HG2 VAL 122 1HG1 VAL 122 5.007 -4.349 -15.044 512 H VAL 123 H VAL 123 0.446 -2.637 -14.321 513 HA VAL 123 HA VAL 123 -0.192 -0.452 -16.201 514 HB VAL 123 HB VAL 123 -1.303 -2.647 -16.272 515 1HG1 VAL 123 1HG1 VAL 123 -1.704 -3.124 -13.821 516 2HG1 VAL 123 2HG1 VAL 123 -2.953 -1.857 -13.795 517 3HG1 VAL 123 3HG1 VAL 123 -3.170 -3.307 -14.802 518 1HG2 VAL 123 3HG2 VAL 123 -2.337 -0.683 -17.403 519 2HG2 VAL 123 1HG2 VAL 123 -3.550 -1.867 -16.879 520 3HG2 VAL 123 2HG2 VAL 123 -3.329 -0.358 -15.962 521 H LYS 124 H LYS 124 -1.140 1.479 -15.869 522 HA LYS 124 HA LYS 124 -0.992 2.633 -13.133 523 1HB LYS 124 1HB LYS 124 -1.062 4.752 -14.003 524 2HB LYS 124 2HB LYS 124 -0.139 3.863 -15.176 525 1HG LYS 124 1HG LYS 124 -3.045 4.858 -15.442 526 2HG LYS 124 2HG LYS 124 -1.615 5.547 -16.193 527 1HD LYS 124 1HD LYS 124 -1.314 3.431 -17.561 528 2HD LYS 124 2HD LYS 124 -2.789 2.773 -16.838 529 1HE LYS 124 1HE LYS 124 -4.130 4.723 -17.769 530 2HE LYS 124 2HE LYS 124 -2.661 5.383 -18.504 531 1HZ LYS 124 2HZ LYS 124 -2.473 3.335 -19.823 532 2HZ LYS 124 3HZ LYS 124 -3.845 2.721 -19.137 533 3HZ LYS 124 1HZ LYS 124 -3.928 4.071 -20.086 534 H PHE 125 H PHE 125 -2.555 3.651 -12.004 535 HA PHE 125 HA PHE 125 -5.406 2.553 -12.402 536 1HB PHE 125 1HB PHE 125 -4.024 2.921 -9.681 537 2HB PHE 125 2HB PHE 125 -5.595 2.234 -9.986 538 HD1 PHE 125 HD1 PHE 125 -5.668 0.007 -11.476 539 HD2 PHE 125 HD2 PHE 125 -2.105 1.475 -9.555 540 HE1 PHE 125 HE1 PHE 125 -4.609 -2.200 -11.708 541 HE2 PHE 125 HE2 PHE 125 -1.078 -0.737 -9.780 542 HZ PHE 125 HZ PHE 125 -2.298 -2.563 -10.879 543 H ASN 126 H ASN 126 -6.593 4.273 -12.938 544 HA ASN 126 HA ASN 126 -6.066 7.032 -12.320 545 1HB ASN 126 1HB ASN 126 -8.284 7.588 -13.145 546 2HB ASN 126 2HB ASN 126 -7.430 6.500 -14.194 547 1HD2 ASN 126 1HD2 ASN 126 -10.143 4.141 -14.147 548 2HD2 ASN 126 2HD2 ASN 126 -8.544 4.693 -14.858 549 H SER 127 H SER 127 -7.799 4.791 -10.231 550 HA SER 127 HA SER 127 -8.357 7.093 -8.270 551 1HB SER 127 1HB SER 127 -10.429 6.161 -9.375 552 2HB SER 127 2HB SER 127 -10.050 4.549 -8.757 553 HG SER 127 HG SER 127 -11.489 5.694 -7.447 554 H LEU 128 H LEU 128 -7.968 6.773 -6.177 555 HA LEU 128 HA LEU 128 -6.342 4.386 -5.223 556 1HB LEU 128 1HB LEU 128 -7.194 6.915 -3.713 557 2HB LEU 128 2HB LEU 128 -6.331 5.580 -2.977 558 HG LEU 128 HG LEU 128 -5.238 7.190 -5.350 559 1HD1 LEU 128 3HD2 LEU 128 -5.487 8.660 -3.336 560 2HD1 LEU 128 1HD2 LEU 128 -4.557 7.500 -2.355 561 3HD1 LEU 128 2HD2 LEU 128 -3.776 8.368 -3.698 562 1HD2 LEU 128 1HD1 LEU 128 -3.782 5.196 -3.494 563 2HD2 LEU 128 2HD1 LEU 128 -4.159 4.947 -5.217 564 3HD2 LEU 128 3HD1 LEU 128 -3.005 6.200 -4.740 565 H ASN 129 H ASN 129 -7.580 2.756 -5.076 566 HA ASN 129 HA ASN 129 -9.395 1.685 -3.447 567 1HB ASN 129 1HB ASN 129 -11.074 3.508 -3.484 568 2HB ASN 129 2HB ASN 129 -11.284 3.332 -5.214 569 1HD2 ASN 129 1HD2 ASN 129 -13.100 0.645 -2.637 570 2HD2 ASN 129 2HD2 ASN 129 -11.763 1.764 -2.065 571 H GLU 130 H GLU 130 -9.527 2.522 -7.002 572 HA GLU 130 HA GLU 130 -9.762 -0.177 -8.050 573 1HB GLU 130 1HB GLU 130 -10.151 2.036 -9.257 574 2HB GLU 130 2HB GLU 130 -8.419 2.355 -9.221 575 1HG GLU 130 1HG GLU 130 -8.059 0.241 -10.605 576 2HG GLU 130 2HG GLU 130 -9.814 0.022 -10.661 577 H LEU 131 H LEU 131 -6.852 1.785 -7.239 578 HA LEU 131 HA LEU 131 -4.790 -0.148 -7.887 579 1HB LEU 131 1HB LEU 131 -4.518 2.301 -7.385 580 2HB LEU 131 2HB LEU 131 -4.806 2.032 -5.687 581 HG LEU 131 HG LEU 131 -2.474 0.646 -7.153 582 1HD1 LEU 131 3HD2 LEU 131 -2.286 3.082 -7.641 583 2HD1 LEU 131 1HD2 LEU 131 -2.427 3.476 -5.911 584 3HD1 LEU 131 2HD2 LEU 131 -1.012 2.591 -6.515 585 1HD2 LEU 131 1HD1 LEU 131 -2.811 1.444 -4.183 586 2HD2 LEU 131 2HD1 LEU 131 -2.823 -0.214 -4.828 587 3HD2 LEU 131 3HD1 LEU 131 -1.340 0.739 -4.895 588 H VAL 132 H VAL 132 -6.482 0.258 -4.714 589 HA VAL 132 HA VAL 132 -5.034 -1.943 -3.461 590 HB VAL 132 HB VAL 132 -6.338 -1.922 -1.563 591 1HG1 VAL 132 3HG2 VAL 132 -4.898 0.057 -1.817 592 2HG1 VAL 132 1HG2 VAL 132 -6.244 0.995 -2.524 593 3HG1 VAL 132 2HG2 VAL 132 -6.332 0.444 -0.838 594 1HG2 VAL 132 2HG1 VAL 132 -8.681 -2.032 -2.291 595 2HG2 VAL 132 3HG1 VAL 132 -8.475 -0.717 -1.137 596 3HG2 VAL 132 1HG1 VAL 132 -8.627 -0.356 -2.873 597 H ASP 133 H ASP 133 -8.305 -1.922 -4.880 598 HA ASP 133 HA ASP 133 -8.863 -4.657 -4.303 599 1HB ASP 133 1HB ASP 133 -10.542 -2.821 -4.863 600 2HB ASP 133 2HB ASP 133 -10.124 -2.970 -6.561 601 H TYR 134 H TYR 134 -7.221 -3.321 -7.211 602 HA TYR 134 HA TYR 134 -7.136 -5.820 -8.776 603 1HB TYR 134 1HB TYR 134 -6.733 -3.603 -9.802 604 2HB TYR 134 2HB TYR 134 -5.318 -3.338 -8.819 605 HD1 TYR 134 HD2 TYR 134 -6.668 -5.256 -11.726 606 HD2 TYR 134 HD1 TYR 134 -3.175 -4.517 -9.325 607 HE1 TYR 134 HE2 TYR 134 -5.256 -6.322 -13.428 608 HE2 TYR 134 HE1 TYR 134 -1.776 -5.568 -11.028 609 HH TYR 134 HH TYR 134 -1.724 -6.569 -13.024 610 H HIS 135 H HIS 135 -4.566 -4.319 -6.705 611 HA HIS 135 HA HIS 135 -2.969 -6.799 -6.717 612 1HB HIS 135 1HB HIS 135 -2.649 -4.212 -5.077 613 2HB HIS 135 2HB HIS 135 -1.576 -5.578 -4.893 614 HD2 HIS 135 HD2 HIS 135 -1.277 -2.444 -6.474 615 HE1 HIS 135 HE1 HIS 135 0.544 -4.928 -9.263 616 HE2 HIS 135 HE2 HIS 135 0.321 -2.450 -8.593 617 H ARG 136 H ARG 136 -5.659 -6.167 -4.809 618 HA ARG 136 HA ARG 136 -5.167 -7.687 -2.406 619 1HB ARG 136 1HB ARG 136 -7.187 -6.278 -3.170 620 2HB ARG 136 2HB ARG 136 -7.712 -7.602 -4.189 621 1HG ARG 136 1HG ARG 136 -8.201 -8.994 -2.228 622 2HG ARG 136 2HG ARG 136 -7.402 -7.878 -1.131 623 1HD ARG 136 1HD ARG 136 -9.888 -7.153 -2.821 624 2HD ARG 136 2HD ARG 136 -9.975 -7.715 -1.165 625 HE ARG 136 HE ARG 136 -9.109 -4.982 -2.103 626 1HH1 ARG 136 2HH2 ARG 136 -9.203 -7.171 0.694 627 2HH1 ARG 136 1HH2 ARG 136 -8.946 -5.751 1.828 628 1HH2 ARG 136 1HH1 ARG 136 -8.819 -3.447 -0.726 629 2HH2 ARG 136 2HH1 ARG 136 -8.743 -3.786 1.076 630 H SER 137 H SER 137 -5.502 -8.864 -5.697 631 HA SER 137 HA SER 137 -4.999 -11.702 -4.806 632 1HB SER 137 1HB SER 137 -6.728 -10.926 -7.240 633 2HB SER 137 2HB SER 137 -6.174 -12.562 -6.868 634 HG SER 137 HG SER 137 -8.242 -12.151 -6.083 635 H THR 138 H THR 138 -4.104 -9.075 -7.003 636 HA THR 138 HA THR 138 -2.091 -10.815 -8.462 637 HB THR 138 HB THR 138 -2.753 -7.820 -8.821 638 HG1 THR 138 HG1 THR 138 -3.455 -10.120 -10.314 639 1HG2 THR 138 3HG2 THR 138 -1.016 -9.686 -10.575 640 2HG2 THR 138 1HG2 THR 138 -1.650 -8.115 -11.106 641 3HG2 THR 138 2HG2 THR 138 -0.499 -8.184 -9.766 642 H SER 139 H SER 139 0.119 -10.415 -8.417 643 HA SER 139 HA SER 139 1.314 -9.813 -5.818 644 1HB SER 139 1HB SER 139 2.252 -11.478 -7.411 645 2HB SER 139 2HB SER 139 2.678 -10.194 -8.557 646 HG SER 139 HG SER 139 3.977 -9.290 -6.906 647 H VAL 140 H VAL 140 2.028 -7.982 -5.000 648 HA VAL 140 HA VAL 140 2.059 -5.381 -6.456 649 HB VAL 140 HB VAL 140 3.173 -5.900 -3.642 650 1HG1 VAL 140 3HG1 VAL 140 2.394 -3.280 -5.067 651 2HG1 VAL 140 1HG1 VAL 140 2.810 -3.410 -3.340 652 3HG1 VAL 140 2HG1 VAL 140 4.031 -3.761 -4.568 653 1HG2 VAL 140 2HG2 VAL 140 0.662 -6.411 -3.733 654 2HG2 VAL 140 3HG2 VAL 140 1.069 -5.029 -2.707 655 3HG2 VAL 140 1HG2 VAL 140 0.394 -4.754 -4.328 656 H SER 141 H SER 141 4.647 -7.574 -5.218 657 HA SER 141 HA SER 141 6.771 -5.806 -6.486 658 1HB SER 141 1HB SER 141 8.376 -6.824 -5.102 659 2HB SER 141 2HB SER 141 6.977 -6.682 -4.053 660 HG SER 141 HG SER 141 7.777 -8.984 -5.505 661 H ARG 142 H ARG 142 8.564 -6.945 -7.594 662 HA ARG 142 HA ARG 142 7.541 -8.511 -9.905 663 1HB ARG 142 1HB ARG 142 10.423 -7.718 -9.200 664 2HB ARG 142 2HB ARG 142 9.962 -8.517 -10.686 665 1HG ARG 142 1HG ARG 142 8.935 -5.737 -9.832 666 2HG ARG 142 2HG ARG 142 10.316 -6.034 -10.876 667 1HD ARG 142 1HD ARG 142 8.844 -7.190 -12.563 668 2HD ARG 142 2HD ARG 142 7.422 -6.892 -11.551 669 HE ARG 142 HE ARG 142 8.479 -4.294 -11.867 670 1HH1 ARG 142 2HH2 ARG 142 7.539 -6.818 -14.190 671 2HH1 ARG 142 1HH2 ARG 142 7.161 -5.537 -15.448 672 1HH2 ARG 142 1HH1 ARG 142 8.019 -2.925 -13.373 673 2HH2 ARG 142 2HH1 ARG 142 7.415 -3.482 -15.014 674 H ASN 143 H ASN 143 10.071 -9.371 -7.466 675 HA ASN 143 HA ASN 143 10.040 -12.220 -8.301 676 1HB ASN 143 1HB ASN 143 12.101 -11.024 -7.529 677 2HB ASN 143 2HB ASN 143 11.452 -10.893 -5.910 678 1HD2 ASN 143 1HD2 ASN 143 12.585 -14.219 -5.094 679 2HD2 ASN 143 2HD2 ASN 143 11.808 -12.648 -4.550 680 H GLN 144 H GLN 144 9.204 -10.757 -5.097 681 HA GLN 144 HA GLN 144 7.941 -13.282 -4.170 682 1HB GLN 144 1HB GLN 144 8.012 -10.473 -2.886 683 2HB GLN 144 2HB GLN 144 7.331 -11.892 -2.111 684 1HG GLN 144 1HG GLN 144 9.569 -13.058 -2.182 685 2HG GLN 144 2HG GLN 144 10.283 -11.650 -2.951 686 1HE2 GLN 144 2HE2 GLN 144 9.662 -11.522 1.100 687 2HE2 GLN 144 1HE2 GLN 144 9.108 -12.936 0.069 688 H GLN 145 H GLN 145 5.809 -13.653 -3.625 689 HA GLN 145 HA GLN 145 3.662 -12.091 -5.066 690 1HB GLN 145 1HB GLN 145 2.062 -13.753 -4.389 691 2HB GLN 145 2HB GLN 145 3.401 -14.434 -5.282 692 1HG GLN 145 1HG GLN 145 4.370 -15.399 -3.170 693 2HG GLN 145 2HG GLN 145 3.106 -14.653 -2.208 694 1HE2 GLN 145 2HE2 GLN 145 0.778 -17.301 -2.898 695 2HE2 GLN 145 1HE2 GLN 145 1.160 -15.738 -2.017 696 H ILE 146 H ILE 146 2.679 -10.445 -4.145 697 HA ILE 146 HA ILE 146 2.181 -10.427 -1.125 698 HB ILE 146 HB ILE 146 2.782 -7.891 -2.693 699 1HG1 ILE 146 1HG1 ILE 146 4.594 -7.549 -0.856 700 2HG1 ILE 146 2HG1 ILE 146 4.434 -9.249 -0.452 701 1HG2 ILE 146 2HG2 ILE 146 0.992 -7.502 -0.995 702 2HG2 ILE 146 3HG2 ILE 146 1.993 -8.232 0.271 703 3HG2 ILE 146 1HG2 ILE 146 2.482 -6.701 -0.490 704 1HD1 ILE 146 3HD1 ILE 146 5.200 -8.203 -3.250 705 2HD1 ILE 146 1HD1 ILE 146 6.383 -8.580 -1.972 706 3HD1 ILE 146 2HD1 ILE 146 5.385 -9.872 -2.651 707 H PHE 147 H PHE 147 0.189 -10.915 -1.043 708 HA PHE 147 HA PHE 147 -1.916 -9.833 -3.033 709 1HB PHE 147 1HB PHE 147 -2.095 -12.445 -1.439 710 2HB PHE 147 2HB PHE 147 -3.309 -11.805 -2.520 711 HD1 PHE 147 HD1 PHE 147 -0.776 -11.101 -4.707 712 HD2 PHE 147 HD2 PHE 147 -2.411 -14.546 -2.701 713 HE1 PHE 147 HE1 PHE 147 0.087 -12.553 -6.476 714 HE2 PHE 147 HE2 PHE 147 -1.561 -15.975 -4.506 715 HZ PHE 147 HZ PHE 147 -0.301 -14.989 -6.388 716 H LEU 148 H LEU 148 -2.756 -8.133 -2.009 717 HA LEU 148 HA LEU 148 -2.551 -7.859 0.885 718 1HB LEU 148 1HB LEU 148 -3.052 -5.605 0.742 719 2HB LEU 148 2HB LEU 148 -1.967 -6.082 -0.547 720 HG LEU 148 HG LEU 148 -3.851 -5.956 -2.141 721 1HD1 LEU 148 3HD2 LEU 148 -5.461 -4.846 0.212 722 2HD1 LEU 148 1HD2 LEU 148 -5.895 -4.476 -1.470 723 3HD1 LEU 148 2HD2 LEU 148 -5.908 -6.140 -0.882 724 1HD2 LEU 148 2HD1 LEU 148 -2.195 -4.098 -1.883 725 2HD2 LEU 148 3HD1 LEU 148 -3.784 -3.478 -2.354 726 3HD2 LEU 148 1HD1 LEU 148 -3.240 -3.324 -0.666 727 H ARG 149 H ARG 149 -4.193 -6.685 2.136 728 HA ARG 149 HA ARG 149 -6.933 -7.889 2.254 729 1HB ARG 149 1HB ARG 149 -5.094 -9.625 3.034 730 2HB ARG 149 2HB ARG 149 -4.757 -8.561 4.380 731 1HG ARG 149 1HG ARG 149 -7.502 -9.874 3.809 732 2HG ARG 149 2HG ARG 149 -6.223 -10.613 4.770 733 1HD ARG 149 1HD ARG 149 -6.250 -8.571 6.320 734 2HD ARG 149 2HD ARG 149 -7.653 -7.987 5.411 735 HE ARG 149 HE ARG 149 -8.151 -10.742 6.348 736 1HH1 ARG 149 2HH2 ARG 149 -8.188 -7.373 7.490 737 2HH1 ARG 149 1HH2 ARG 149 -9.480 -7.794 8.723 738 1HH2 ARG 149 1HH1 ARG 149 -9.619 -11.102 7.784 739 2HH2 ARG 149 2HH1 ARG 149 -10.233 -9.761 8.876 740 H ASP 150 H ASP 150 -8.143 -6.530 3.622 741 HA ASP 150 HA ASP 150 -6.973 -3.890 4.334 742 1HB ASP 150 1HB ASP 150 -9.634 -4.799 3.748 743 2HB ASP 150 2HB ASP 150 -9.731 -4.404 5.440 744 H ILE 151 H ILE 151 -7.596 -2.859 6.567 745 HA ILE 151 HA ILE 151 -5.843 -4.238 8.489 746 HB ILE 151 HB ILE 151 -6.133 -2.383 10.031 747 1HG1 ILE 151 1HG1 ILE 151 -8.006 -0.936 8.068 748 2HG1 ILE 151 2HG1 ILE 151 -8.613 -1.850 9.434 749 1HG2 ILE 151 2HG2 ILE 151 -4.443 -2.263 8.179 750 2HG2 ILE 151 3HG2 ILE 151 -5.604 -1.328 7.201 751 3HG2 ILE 151 1HG2 ILE 151 -4.975 -0.664 8.727 752 1HD1 ILE 151 2HD1 ILE 151 -7.326 -0.415 11.055 753 2HD1 ILE 151 3HD1 ILE 151 -6.732 0.577 9.696 754 3HD1 ILE 151 1HD1 ILE 151 -8.470 0.520 10.063 755 H GLU 152 H GLU 152 -6.250 -4.644 10.735 756 HA GLU 152 HA GLU 152 -8.769 -6.278 11.142 757 1HB GLU 152 1HB GLU 152 -6.513 -7.246 11.746 758 2HB GLU 152 2HB GLU 152 -6.300 -5.987 12.946 759 1HG GLU 152 1HG GLU 152 -6.936 -7.862 14.186 760 2HG GLU 152 2HG GLU 152 -8.385 -6.882 14.178 761 HXT GLU 152 HO OH 153 -6.971 -4.026 13.080 No H/Q in entry = 761 Start of MODEL 15 1 1H GLY 58 1H GLY 58 -11.936 -0.630 2.310 2 2H GLY 58 2H GLY 58 -11.413 -1.857 3.255 3 1HA GLY 58 1HA GLY 58 -13.708 -0.082 3.882 4 2HA GLY 58 2HA GLY 58 -13.168 -1.414 4.900 5 H SER 59 H SER 59 -11.469 -1.054 6.259 6 HA SER 59 HA SER 59 -10.486 1.758 6.627 7 1HB SER 59 1HB SER 59 -9.546 1.002 8.757 8 2HB SER 59 2HB SER 59 -11.241 0.556 8.605 9 HG SER 59 HG SER 59 -10.545 -1.545 7.991 10 H TRP 60 H TRP 60 -8.953 2.327 5.253 11 HA TRP 60 HA TRP 60 -6.235 1.136 5.546 12 1HB TRP 60 1HB TRP 60 -5.701 0.846 3.170 13 2HB TRP 60 2HB TRP 60 -6.822 -0.315 3.808 14 HD1 TRP 60 HD1 TRP 60 -9.399 -0.234 2.964 15 HE1 TRP 60 HE1 TRP 60 -10.572 0.617 0.736 16 HE3 TRP 60 HE3 TRP 60 -5.633 2.843 1.512 17 HZ2 TRP 60 HZ2 TRP 60 -9.757 2.464 -1.310 18 HZ3 TRP 60 HZ3 TRP 60 -5.922 4.231 -0.518 19 HH2 TRP 60 HH2 TRP 60 -7.959 4.066 -1.878 20 H PHE 61 H PHE 61 -8.085 3.777 3.963 21 HA PHE 61 HA PHE 61 -5.563 5.245 3.388 22 1HB PHE 61 1HB PHE 61 -7.616 5.297 1.882 23 2HB PHE 61 2HB PHE 61 -8.456 6.253 3.073 24 HD1 PHE 61 HD1 PHE 61 -5.318 6.197 0.939 25 HD2 PHE 61 HD2 PHE 61 -8.106 8.677 3.088 26 HE1 PHE 61 HE1 PHE 61 -4.204 8.208 0.086 27 HE2 PHE 61 HE2 PHE 61 -6.983 10.681 2.209 28 HZ PHE 61 HZ PHE 61 -5.036 10.458 0.711 29 H PHE 62 H PHE 62 -4.697 6.913 4.414 30 HA PHE 62 HA PHE 62 -6.018 8.085 6.934 31 1HB PHE 62 1HB PHE 62 -3.087 7.313 6.605 32 2HB PHE 62 2HB PHE 62 -3.632 8.456 7.800 33 HD1 PHE 62 HD2 PHE 62 -4.088 4.888 6.702 34 HD2 PHE 62 HD1 PHE 62 -4.627 7.717 9.891 35 HE1 PHE 62 HE2 PHE 62 -4.714 3.058 8.227 36 HE2 PHE 62 HE1 PHE 62 -5.226 5.877 11.411 37 HZ PHE 62 HZ PHE 62 -5.278 3.547 10.584 38 H GLY 63 H GLY 63 -3.152 8.992 4.957 39 1HA GLY 63 1HA GLY 63 -3.253 11.001 3.411 40 2HA GLY 63 2HA GLY 63 -4.462 11.738 4.437 41 H LYS 64 H LYS 64 -1.119 10.867 4.156 42 HA LYS 64 HA LYS 64 0.838 11.625 4.999 43 1HB LYS 64 1HB LYS 64 -0.114 13.832 4.200 44 2HB LYS 64 2HB LYS 64 -0.452 14.246 5.873 45 1HG LYS 64 1HG LYS 64 2.004 13.956 6.428 46 2HG LYS 64 2HG LYS 64 2.345 13.466 4.778 47 1HD LYS 64 1HD LYS 64 1.278 16.242 5.607 48 2HD LYS 64 2HD LYS 64 2.970 15.833 5.345 49 1HE LYS 64 1HE LYS 64 2.400 15.194 2.903 50 2HE LYS 64 2HE LYS 64 0.757 15.778 3.189 51 1HZ LYS 64 3HZ LYS 64 1.685 17.969 3.724 52 2HZ LYS 64 1HZ LYS 64 3.223 17.426 3.460 53 3HZ LYS 64 2HZ LYS 64 2.144 17.491 2.210 54 H ILE 65 H ILE 65 0.835 9.927 6.441 55 HA ILE 65 HA ILE 65 1.189 10.868 9.325 56 HB ILE 65 HB ILE 65 0.588 8.691 10.209 57 1HG1 ILE 65 1HG1 ILE 65 -0.533 7.769 7.513 58 2HG1 ILE 65 2HG1 ILE 65 1.079 7.326 8.052 59 1HG2 ILE 65 2HG2 ILE 65 -1.129 10.497 10.089 60 2HG2 ILE 65 3HG2 ILE 65 -1.730 9.834 8.551 61 3HG2 ILE 65 1HG2 ILE 65 -1.862 8.880 10.048 62 1HD1 ILE 65 3HD1 ILE 65 0.151 6.255 10.136 63 2HD1 ILE 65 1HD1 ILE 65 -1.504 6.619 9.571 64 3HD1 ILE 65 2HD1 ILE 65 -0.463 5.523 8.638 65 HA PRO 66 HA PRO 66 5.414 9.536 8.692 66 1HB PRO 66 1HB PRO 66 6.365 8.942 11.235 67 2HB PRO 66 2HB PRO 66 5.902 10.563 10.697 68 1HG PRO 66 1HG PRO 66 4.216 8.579 12.298 69 2HG PRO 66 2HG PRO 66 4.506 10.297 12.657 70 1HD PRO 66 1HD PRO 66 2.227 9.447 11.370 71 2HD PRO 66 2HD PRO 66 2.970 11.017 10.947 72 H ARG 67 H ARG 67 7.018 7.889 8.799 73 HA ARG 67 HA ARG 67 6.107 5.206 8.063 74 1HB ARG 67 1HB ARG 67 8.140 6.369 7.181 75 2HB ARG 67 2HB ARG 67 8.950 6.233 8.719 76 1HG ARG 67 1HG ARG 67 9.143 3.835 8.570 77 2HG ARG 67 2HG ARG 67 7.993 3.695 7.266 78 1HD ARG 67 1HD ARG 67 10.734 5.099 6.975 79 2HD ARG 67 2HD ARG 67 10.447 3.384 6.654 80 HE ARG 67 HE ARG 67 8.556 5.069 5.107 81 1HH1 ARG 67 2HH2 ARG 67 11.891 3.839 5.065 82 2HH1 ARG 67 1HH2 ARG 67 11.945 4.014 3.240 83 1HH2 ARG 67 1HH1 ARG 67 8.728 5.226 3.036 84 2HH2 ARG 67 2HH1 ARG 67 10.273 4.747 2.170 85 H ALA 68 H ALA 68 7.598 6.350 11.037 86 HA ALA 68 HA ALA 68 8.031 3.694 12.273 87 1HB ALA 68 2HB ALA 68 9.367 5.659 13.005 88 2HB ALA 68 3HB ALA 68 7.912 6.442 13.675 89 3HB ALA 68 1HB ALA 68 8.525 4.928 14.384 90 H LYS 69 H LYS 69 5.394 6.100 12.815 91 HA LYS 69 HA LYS 69 3.806 4.340 14.578 92 1HB LYS 69 1HB LYS 69 2.844 6.679 12.831 93 2HB LYS 69 2HB LYS 69 1.848 5.855 14.008 94 1HG LYS 69 1HG LYS 69 4.400 7.432 14.697 95 2HG LYS 69 2HG LYS 69 2.760 8.047 14.794 96 1HD LYS 69 1HD LYS 69 2.161 6.325 16.515 97 2HD LYS 69 2HD LYS 69 3.778 5.645 16.460 98 1HE LYS 69 1HE LYS 69 3.150 8.562 17.292 99 2HE LYS 69 2HE LYS 69 3.321 7.215 18.415 100 1HZ LYS 69 2HZ LYS 69 5.615 6.914 17.661 101 2HZ LYS 69 3HZ LYS 69 5.477 8.172 16.599 102 3HZ LYS 69 1HZ LYS 69 5.380 8.449 18.225 103 H ALA 70 H ALA 70 3.987 4.540 11.045 104 HA ALA 70 HA ALA 70 1.621 2.757 10.567 105 1HB ALA 70 2HB ALA 70 2.375 4.310 8.769 106 2HB ALA 70 3HB ALA 70 3.955 3.497 8.679 107 3HB ALA 70 1HB ALA 70 2.474 2.628 8.208 108 H GLU 71 H GLU 71 5.154 2.193 10.769 109 HA GLU 71 HA GLU 71 5.096 -0.713 10.399 110 1HB GLU 71 1HB GLU 71 7.108 1.092 11.876 111 2HB GLU 71 2HB GLU 71 7.354 -0.632 11.652 112 1HG GLU 71 1HG GLU 71 7.356 -0.395 9.170 113 2HG GLU 71 2HG GLU 71 7.013 1.322 9.296 114 H GLU 72 H GLU 72 4.947 1.215 13.433 115 HA GLU 72 HA GLU 72 4.838 -0.982 15.316 116 1HB GLU 72 1HB GLU 72 3.704 1.872 15.497 117 2HB GLU 72 2HB GLU 72 3.648 0.752 16.845 118 1HG GLU 72 1HG GLU 72 6.088 0.605 17.010 119 2HG GLU 72 2HG GLU 72 6.323 1.510 15.524 120 H MET 73 H MET 73 2.048 0.770 13.849 121 HA MET 73 HA MET 73 -0.022 -0.887 15.122 122 1HB MET 73 1HB MET 73 -0.057 1.079 12.757 123 2HB MET 73 2HB MET 73 -1.461 0.106 13.117 124 1HG MET 73 1HG MET 73 -1.787 2.221 14.189 125 2HG MET 73 2HG MET 73 -1.586 1.018 15.462 126 1HE MET 73 1HE MET 73 0.737 0.830 16.972 127 2HE MET 73 3HE MET 73 1.293 2.439 17.516 128 3HE MET 73 2HE MET 73 -0.450 2.034 17.563 129 H LEU 74 H LEU 74 1.346 -1.083 11.810 130 HA LEU 74 HA LEU 74 -0.342 -3.358 11.021 131 1HB LEU 74 1HB LEU 74 2.031 -1.886 9.777 132 2HB LEU 74 2HB LEU 74 1.566 -3.408 9.105 133 HG LEU 74 HG LEU 74 -0.660 -2.722 8.531 134 1HD1 LEU 74 3HD1 LEU 74 -0.134 0.055 9.769 135 2HD1 LEU 74 1HD1 LEU 74 -1.539 -0.415 8.767 136 3HD1 LEU 74 2HD1 LEU 74 -1.308 -1.152 10.355 137 1HD2 LEU 74 3HD2 LEU 74 1.169 -2.211 6.923 138 2HD2 LEU 74 1HD2 LEU 74 -0.078 -0.954 6.838 139 3HD2 LEU 74 2HD2 LEU 74 1.449 -0.622 7.682 140 H SER 75 H SER 75 2.954 -3.385 12.400 141 HA SER 75 HA SER 75 3.474 -6.249 11.972 142 1HB SER 75 1HB SER 75 4.539 -4.371 14.169 143 2HB SER 75 2HB SER 75 5.106 -6.023 13.899 144 HG SER 75 HG SER 75 5.126 -3.936 11.985 145 H LYS 76 H LYS 76 1.556 -4.623 14.490 146 HA LYS 76 HA LYS 76 1.093 -7.008 16.182 147 1HB LYS 76 1HB LYS 76 -0.595 -4.456 15.858 148 2HB LYS 76 2HB LYS 76 -0.924 -5.711 17.037 149 1HG LYS 76 1HG LYS 76 1.300 -5.362 18.123 150 2HG LYS 76 2HG LYS 76 1.690 -4.076 16.991 151 1HD LYS 76 1HD LYS 76 -0.724 -4.034 18.920 152 2HD LYS 76 2HD LYS 76 0.850 -3.331 19.273 153 1HE LYS 76 1HE LYS 76 0.627 -1.738 17.327 154 2HE LYS 76 2HE LYS 76 -0.955 -2.421 16.927 155 1HZ LYS 76 2HZ LYS 76 -0.274 -1.077 19.495 156 2HZ LYS 76 3HZ LYS 76 -1.169 -0.430 18.267 157 3HZ LYS 76 1HZ LYS 76 -1.750 -1.718 19.122 158 H GLN 77 H GLN 77 -0.598 -5.811 13.268 159 HA GLN 77 HA GLN 77 -2.961 -7.424 13.474 160 1HB GLN 77 1HB GLN 77 -1.649 -5.738 11.333 161 2HB GLN 77 2HB GLN 77 -2.560 -7.058 10.677 162 1HG GLN 77 1HG GLN 77 -3.964 -5.103 10.793 163 2HG GLN 77 2HG GLN 77 -4.608 -6.402 11.764 164 1HE2 GLN 77 2HE2 GLN 77 -3.678 -2.861 13.597 165 2HE2 GLN 77 1HE2 GLN 77 -3.156 -3.216 11.876 166 H ARG 78 H ARG 78 -3.295 -9.358 13.255 167 HA ARG 78 HA ARG 78 -1.441 -11.504 12.684 168 1HB ARG 78 1HB ARG 78 -3.281 -13.052 12.914 169 2HB ARG 78 2HB ARG 78 -3.408 -11.802 14.126 170 1HG ARG 78 1HG ARG 78 -5.228 -10.660 12.802 171 2HG ARG 78 2HG ARG 78 -5.090 -11.847 11.523 172 1HD ARG 78 1HD ARG 78 -5.957 -12.478 14.417 173 2HD ARG 78 2HD ARG 78 -7.041 -12.197 13.049 174 HE ARG 78 HE ARG 78 -5.224 -14.358 12.303 175 1HH1 ARG 78 2HH2 ARG 78 -7.982 -13.772 14.472 176 2HH1 ARG 78 1HH2 ARG 78 -8.441 -15.546 14.389 177 1HH2 ARG 78 1HH1 ARG 78 -5.839 -16.354 12.282 178 2HH2 ARG 78 2HH1 ARG 78 -7.308 -16.907 13.232 179 H HIS 79 H HIS 79 -3.347 -9.848 10.272 180 HA HIS 79 HA HIS 79 -3.452 -12.140 8.391 181 1HB HIS 79 1HB HIS 79 -4.190 -9.207 7.801 182 2HB HIS 79 2HB HIS 79 -4.642 -10.609 6.865 183 HD2 HIS 79 HD2 HIS 79 -6.269 -12.532 8.377 184 HE1 HIS 79 HE1 HIS 79 -7.952 -9.588 10.783 185 HE2 HIS 79 HE2 HIS 79 -8.257 -12.037 10.067 186 H ASP 80 H ASP 80 -2.131 -12.592 6.760 187 HA ASP 80 HA ASP 80 0.298 -10.958 6.124 188 1HB ASP 80 1HB ASP 80 0.975 -12.649 4.550 189 2HB ASP 80 2HB ASP 80 0.634 -13.319 6.121 190 H GLY 81 H GLY 81 0.089 -9.205 4.974 191 1HA GLY 81 1HA GLY 81 -0.620 -8.127 2.775 192 2HA GLY 81 2HA GLY 81 -2.205 -8.843 2.966 193 H ALA 82 H ALA 82 -1.451 -7.784 6.071 194 HA ALA 82 HA ALA 82 -3.623 -5.849 6.003 195 1HB ALA 82 2HB ALA 82 -3.112 -7.139 8.041 196 2HB ALA 82 3HB ALA 82 -1.553 -6.304 8.237 197 3HB ALA 82 1HB ALA 82 -3.080 -5.403 8.393 198 H PHE 83 H PHE 83 -3.521 -3.919 5.066 199 HA PHE 83 HA PHE 83 -0.910 -2.328 5.134 200 1HB PHE 83 1HB PHE 83 -1.009 -1.890 2.853 201 2HB PHE 83 2HB PHE 83 -1.320 -3.567 2.994 202 HD1 PHE 83 HD2 PHE 83 -3.743 -4.437 2.530 203 HD2 PHE 83 HD1 PHE 83 -2.723 -0.299 1.995 204 HE1 PHE 83 HE2 PHE 83 -5.919 -4.032 1.459 205 HE2 PHE 83 HE1 PHE 83 -4.861 0.083 0.885 206 HZ PHE 83 HZ PHE 83 -6.489 -1.769 0.634 207 H LEU 84 H LEU 84 -0.946 -0.180 4.606 208 HA LEU 84 HA LEU 84 -3.498 1.366 4.661 209 1HB LEU 84 1HB LEU 84 -2.938 3.025 6.276 210 2HB LEU 84 2HB LEU 84 -2.974 1.448 6.997 211 HG LEU 84 HG LEU 84 -0.358 1.502 6.966 212 1HD1 LEU 84 3HD1 LEU 84 -0.923 4.509 6.463 213 2HD1 LEU 84 1HD1 LEU 84 0.605 3.887 7.128 214 3HD1 LEU 84 2HD1 LEU 84 0.137 3.468 5.494 215 1HD2 LEU 84 3HD2 LEU 84 -1.845 1.817 9.029 216 2HD2 LEU 84 1HD2 LEU 84 -0.316 2.709 9.124 217 3HD2 LEU 84 2HD2 LEU 84 -1.830 3.562 8.745 218 H ILE 85 H ILE 85 -3.470 2.872 3.054 219 HA ILE 85 HA ILE 85 -0.801 3.653 1.806 220 HB ILE 85 HB ILE 85 -3.680 4.044 0.876 221 1HG1 ILE 85 1HG1 ILE 85 -1.270 2.636 -0.469 222 2HG1 ILE 85 2HG1 ILE 85 -2.345 1.790 0.628 223 1HG2 ILE 85 3HG2 ILE 85 -1.145 5.207 -0.463 224 2HG2 ILE 85 1HG2 ILE 85 -2.769 5.150 -1.198 225 3HG2 ILE 85 2HG2 ILE 85 -2.491 6.141 0.229 226 1HD1 ILE 85 3HD1 ILE 85 -3.294 3.071 -1.989 227 2HD1 ILE 85 1HD1 ILE 85 -2.985 1.340 -1.678 228 3HD1 ILE 85 2HD1 ILE 85 -4.294 2.173 -0.809 229 H ARG 86 H ARG 86 0.151 5.081 2.946 230 HA ARG 86 HA ARG 86 -1.185 7.571 4.114 231 1HB ARG 86 1HB ARG 86 0.876 7.947 5.347 232 2HB ARG 86 2HB ARG 86 0.292 6.334 5.664 233 1HG ARG 86 1HG ARG 86 2.055 5.456 3.952 234 2HG ARG 86 2HG ARG 86 2.646 7.111 3.841 235 1HD ARG 86 1HD ARG 86 3.000 6.972 6.467 236 2HD ARG 86 2HD ARG 86 2.662 5.263 6.310 237 HE ARG 86 HE ARG 86 4.784 4.904 5.218 238 1HH1 ARG 86 2HH2 ARG 86 4.220 8.407 5.502 239 2HH1 ARG 86 1HH2 ARG 86 5.935 8.739 4.941 240 1HH2 ARG 86 1HH1 ARG 86 6.708 5.407 4.588 241 2HH2 ARG 86 2HH1 ARG 86 7.242 7.158 4.460 242 H GLU 87 H GLU 87 -0.273 9.649 3.546 243 HA GLU 87 HA GLU 87 0.909 9.815 0.759 244 1HB GLU 87 1HB GLU 87 -0.966 11.393 1.530 245 2HB GLU 87 2HB GLU 87 0.218 12.206 2.541 246 1HG GLU 87 1HG GLU 87 1.619 12.720 0.479 247 2HG GLU 87 2HG GLU 87 0.464 11.851 -0.525 248 H SER 88 H SER 88 3.013 10.271 0.383 249 HA SER 88 HA SER 88 5.031 10.191 2.543 250 1HB SER 88 1HB SER 88 6.746 10.466 0.854 251 2HB SER 88 2HB SER 88 5.575 9.262 0.333 252 HG SER 88 HG SER 88 4.596 10.899 -0.947 253 H GLU 89 H GLU 89 5.648 11.804 3.764 254 HA GLU 89 HA GLU 89 4.532 14.491 3.488 255 1HB GLU 89 1HB GLU 89 5.588 15.097 5.546 256 2HB GLU 89 2HB GLU 89 4.690 13.587 5.622 257 1HG GLU 89 1HG GLU 89 6.938 12.311 5.516 258 2HG GLU 89 2HG GLU 89 7.768 13.862 5.604 259 H SER 90 H SER 90 7.857 13.402 2.871 260 HA SER 90 HA SER 90 8.932 16.068 2.207 261 1HB SER 90 1HB SER 90 10.342 14.039 2.745 262 2HB SER 90 2HB SER 90 9.864 13.300 1.211 263 HG SER 90 HG SER 90 11.827 14.416 1.103 264 H ALA 91 H ALA 91 6.728 14.020 0.400 265 HA ALA 91 HA ALA 91 6.941 15.917 -1.981 266 1HB ALA 91 3HB ALA 91 7.045 12.862 -2.318 267 2HB ALA 91 1HB ALA 91 6.830 14.055 -3.624 268 3HB ALA 91 2HB ALA 91 8.338 14.028 -2.688 269 HA PRO 92 HA PRO 92 2.467 15.191 -0.678 270 1HB PRO 92 1HB PRO 92 1.492 17.749 -1.226 271 2HB PRO 92 2HB PRO 92 2.312 17.283 0.271 272 1HG PRO 92 1HG PRO 92 3.524 18.683 -2.157 273 2HG PRO 92 2HG PRO 92 3.717 19.109 -0.441 274 1HD PRO 92 1HD PRO 92 5.611 17.653 -1.828 275 2HD PRO 92 2HD PRO 92 5.325 17.351 -0.088 276 H GLY 93 H GLY 93 0.984 14.373 -1.981 277 1HA GLY 93 1HA GLY 93 -0.295 14.148 -4.147 278 2HA GLY 93 2HA GLY 93 1.036 14.866 -5.032 279 H ASP 94 H ASP 94 3.114 13.297 -3.628 280 HA ASP 94 HA ASP 94 2.916 10.619 -5.037 281 1HB ASP 94 1HB ASP 94 5.152 11.986 -3.385 282 2HB ASP 94 2HB ASP 94 5.255 10.305 -3.815 283 H PHE 95 H PHE 95 2.249 8.860 -4.033 284 HA PHE 95 HA PHE 95 1.721 8.866 -1.023 285 1HB PHE 95 1HB PHE 95 0.331 7.397 -3.358 286 2HB PHE 95 2HB PHE 95 0.074 6.961 -1.698 287 HD1 PHE 95 HD1 PHE 95 -1.136 8.489 -0.111 288 HD2 PHE 95 HD2 PHE 95 -0.550 9.589 -4.224 289 HE1 PHE 95 HE1 PHE 95 -2.748 10.324 0.142 290 HE2 PHE 95 HE2 PHE 95 -2.202 11.399 -3.967 291 HZ PHE 95 HZ PHE 95 -3.300 11.774 -1.784 292 H SER 96 H SER 96 1.692 6.715 -0.042 293 HA SER 96 HA SER 96 3.933 4.865 -0.944 294 1HB SER 96 1HB SER 96 3.856 6.173 1.868 295 2HB SER 96 2HB SER 96 4.921 4.847 1.390 296 HG SER 96 HG SER 96 5.896 6.868 1.211 297 H LEU 97 H LEU 97 3.053 2.970 -0.966 298 HA LEU 97 HA LEU 97 0.759 2.052 0.778 299 1HB LEU 97 1HB LEU 97 0.870 1.325 -1.573 300 2HB LEU 97 2HB LEU 97 2.487 0.675 -1.360 301 HG LEU 97 HG LEU 97 1.478 -0.957 0.383 302 1HD1 LEU 97 3HD2 LEU 97 -0.700 0.123 0.811 303 2HD1 LEU 97 1HD2 LEU 97 -1.197 -0.123 -0.887 304 3HD1 LEU 97 2HD2 LEU 97 -0.933 -1.520 0.188 305 1HD2 LEU 97 2HD1 LEU 97 2.197 -1.659 -1.917 306 2HD2 LEU 97 3HD1 LEU 97 0.793 -2.579 -1.347 307 3HD2 LEU 97 1HD1 LEU 97 0.574 -1.274 -2.545 308 H SER 98 H SER 98 1.251 1.598 2.750 309 HA SER 98 HA SER 98 3.899 0.333 3.706 310 1HB SER 98 1HB SER 98 1.636 1.387 5.449 311 2HB SER 98 2HB SER 98 3.278 0.992 5.938 312 HG SER 98 HG SER 98 3.988 2.698 4.584 313 H VAL 99 H VAL 99 3.619 -1.871 3.242 314 HA VAL 99 HA VAL 99 0.950 -3.223 3.980 315 HB VAL 99 HB VAL 99 0.974 -3.034 1.648 316 1HG1 VAL 99 2HG1 VAL 99 3.381 -2.834 1.043 317 2HG1 VAL 99 3HG1 VAL 99 3.650 -4.552 1.427 318 3HG1 VAL 99 1HG1 VAL 99 2.586 -4.087 0.081 319 1HG2 VAL 99 3HG2 VAL 99 0.074 -5.191 2.676 320 2HG2 VAL 99 1HG2 VAL 99 0.536 -5.336 0.970 321 3HG2 VAL 99 2HG2 VAL 99 1.588 -5.991 2.248 322 H LYS 100 H LYS 100 1.164 -4.529 5.521 323 HA LYS 100 HA LYS 100 3.707 -5.890 6.406 324 1HB LYS 100 1HB LYS 100 2.048 -5.101 8.055 325 2HB LYS 100 2HB LYS 100 0.818 -6.162 7.432 326 1HG LYS 100 1HG LYS 100 3.390 -7.560 8.265 327 2HG LYS 100 2HG LYS 100 2.620 -6.667 9.552 328 1HD LYS 100 1HD LYS 100 0.486 -7.900 9.284 329 2HD LYS 100 2HD LYS 100 1.063 -8.669 7.813 330 1HE LYS 100 1HE LYS 100 1.127 -10.278 9.643 331 2HE LYS 100 2HE LYS 100 2.750 -9.980 9.040 332 1HZ LYS 100 2HZ LYS 100 1.596 -8.799 11.525 333 2HZ LYS 100 3HZ LYS 100 2.699 -10.027 11.455 334 3HZ LYS 100 1HZ LYS 100 3.124 -8.507 10.968 335 H PHE 101 H PHE 101 4.256 -8.012 6.055 336 HA PHE 101 HA PHE 101 2.302 -10.009 5.126 337 1HB PHE 101 1HB PHE 101 3.024 -8.738 2.929 338 2HB PHE 101 2HB PHE 101 4.558 -9.531 3.079 339 HD1 PHE 101 HD1 PHE 101 4.638 -12.113 2.863 340 HD2 PHE 101 HD2 PHE 101 1.006 -9.907 2.201 341 HE1 PHE 101 HE1 PHE 101 3.654 -14.054 1.710 342 HE2 PHE 101 HE2 PHE 101 0.028 -11.863 1.080 343 HZ PHE 101 HZ PHE 101 1.350 -13.934 0.821 344 H GLY 102 H GLY 102 2.911 -11.113 6.900 345 1HA GLY 102 1HA GLY 102 4.141 -12.736 8.160 346 2HA GLY 102 2HA GLY 102 5.314 -12.825 6.865 347 H ASN 103 H ASN 103 4.313 -10.837 9.621 348 HA ASN 103 HA ASN 103 5.432 -9.749 11.253 349 1HB ASN 103 1HB ASN 103 6.989 -11.746 11.328 350 2HB ASN 103 2HB ASN 103 8.129 -10.850 10.352 351 1HD2 ASN 103 1HD2 ASN 103 7.824 -9.947 14.357 352 2HD2 ASN 103 2HD2 ASN 103 6.602 -11.030 13.521 353 H ASP 104 H ASP 104 7.181 -9.236 8.336 354 HA ASP 104 HA ASP 104 8.113 -6.496 9.279 355 1HB ASP 104 1HB ASP 104 8.919 -8.023 6.727 356 2HB ASP 104 2HB ASP 104 9.530 -6.447 7.191 357 H VAL 105 H VAL 105 7.661 -4.622 8.348 358 HA VAL 105 HA VAL 105 5.234 -4.462 6.504 359 HB VAL 105 HB VAL 105 6.324 -2.282 8.339 360 1HG1 VAL 105 2HG1 VAL 105 4.978 -1.416 6.347 361 2HG1 VAL 105 3HG1 VAL 105 3.619 -2.444 6.825 362 3HG1 VAL 105 1HG1 VAL 105 4.152 -1.114 7.885 363 1HG2 VAL 105 2HG2 VAL 105 3.926 -4.169 8.816 364 2HG2 VAL 105 3HG2 VAL 105 5.412 -4.085 9.780 365 3HG2 VAL 105 1HG2 VAL 105 4.284 -2.725 9.789 366 H GLN 106 H GLN 106 5.760 -4.234 4.506 367 HA GLN 106 HA GLN 106 8.411 -3.061 3.607 368 1HB GLN 106 1HB GLN 106 6.284 -4.719 2.121 369 2HB GLN 106 2HB GLN 106 7.671 -3.987 1.323 370 1HG GLN 106 1HG GLN 106 9.278 -5.220 2.686 371 2HG GLN 106 2HG GLN 106 8.019 -5.891 3.709 372 1HE2 GLN 106 2HE2 GLN 106 7.113 -8.461 1.303 373 2HE2 GLN 106 1HE2 GLN 106 6.597 -7.520 2.792 374 H HIS 107 H HIS 107 8.472 -1.045 3.110 375 HA HIS 107 HA HIS 107 5.994 0.572 2.448 376 1HB HIS 107 1HB HIS 107 8.806 1.224 3.518 377 2HB HIS 107 2HB HIS 107 7.848 2.450 2.773 378 HD2 HIS 107 HD2 HIS 107 7.092 -0.271 5.551 379 HE1 HIS 107 HE1 HIS 107 5.094 3.168 6.639 380 HE2 HIS 107 HE2 HIS 107 5.616 0.810 7.452 381 H PHE 108 H PHE 108 5.607 0.179 0.372 382 HA PHE 108 HA PHE 108 7.738 0.519 -1.791 383 1HB PHE 108 1HB PHE 108 4.845 -0.486 -2.034 384 2HB PHE 108 2HB PHE 108 6.014 -0.446 -3.329 385 HD1 PHE 108 HD2 PHE 108 8.406 -1.783 -2.588 386 HD2 PHE 108 HD1 PHE 108 4.411 -2.655 -1.242 387 HE1 PHE 108 HE2 PHE 108 9.049 -4.118 -2.147 388 HE2 PHE 108 HE1 PHE 108 5.074 -4.984 -0.816 389 HZ PHE 108 HZ PHE 108 7.388 -5.718 -1.262 390 H LYS 109 H LYS 109 7.677 2.233 -3.154 391 HA LYS 109 HA LYS 109 5.916 4.561 -2.505 392 1HB LYS 109 1HB LYS 109 8.170 4.227 -4.570 393 2HB LYS 109 2HB LYS 109 7.203 5.675 -4.500 394 1HG LYS 109 1HG LYS 109 8.966 4.630 -2.218 395 2HG LYS 109 2HG LYS 109 9.353 5.932 -3.322 396 1HD LYS 109 1HD LYS 109 7.158 5.933 -1.179 397 2HD LYS 109 2HD LYS 109 8.661 6.814 -1.119 398 1HE LYS 109 1HE LYS 109 6.363 7.385 -3.121 399 2HE LYS 109 2HE LYS 109 6.648 8.252 -1.621 400 1HZ LYS 109 1HZ LYS 109 8.803 8.983 -2.489 401 2HZ LYS 109 2HZ LYS 109 8.552 8.173 -3.907 402 3HZ LYS 109 3HZ LYS 109 7.575 9.440 -3.495 403 H VAL 110 H VAL 110 4.087 5.042 -3.382 404 HA VAL 110 HA VAL 110 3.037 3.819 -5.962 405 HB VAL 110 HB VAL 110 1.726 5.754 -3.965 406 1HG1 VAL 110 2HG1 VAL 110 0.707 6.082 -6.236 407 2HG1 VAL 110 3HG1 VAL 110 0.417 4.334 -6.386 408 3HG1 VAL 110 1HG1 VAL 110 -0.450 5.294 -5.159 409 1HG2 VAL 110 3HG2 VAL 110 1.966 3.436 -2.995 410 2HG2 VAL 110 1HG2 VAL 110 0.283 3.940 -3.199 411 3HG2 VAL 110 2HG2 VAL 110 1.002 2.788 -4.346 412 H LEU 111 H LEU 111 3.839 4.802 -7.800 413 HA LEU 111 HA LEU 111 4.393 7.802 -7.768 414 1HB LEU 111 1HB LEU 111 6.044 7.376 -9.489 415 2HB LEU 111 2HB LEU 111 6.446 6.629 -7.978 416 HG LEU 111 HG LEU 111 5.024 4.854 -9.989 417 1HD1 LEU 111 3HD2 LEU 111 6.721 6.091 -11.425 418 2HD1 LEU 111 1HD2 LEU 111 8.021 5.655 -10.291 419 3HD1 LEU 111 2HD2 LEU 111 7.195 4.392 -11.235 420 1HD2 LEU 111 1HD1 LEU 111 7.333 4.290 -8.037 421 2HD2 LEU 111 2HD1 LEU 111 5.630 3.780 -7.907 422 3HD2 LEU 111 3HD1 LEU 111 6.644 3.105 -9.179 423 H ARG 112 H ARG 112 3.738 9.052 -9.430 424 HA ARG 112 HA ARG 112 1.325 8.052 -10.965 425 1HB ARG 112 1HB ARG 112 2.371 10.906 -10.463 426 2HB ARG 112 2HB ARG 112 0.946 10.534 -11.416 427 1HG ARG 112 1HG ARG 112 -0.196 9.508 -9.431 428 2HG ARG 112 2HG ARG 112 1.211 9.883 -8.420 429 1HD ARG 112 1HD ARG 112 0.980 12.335 -9.015 430 2HD ARG 112 2HD ARG 112 -0.431 11.952 -10.016 431 HE ARG 112 HE ARG 112 -0.940 11.002 -7.298 432 1HH1 ARG 112 2HH2 ARG 112 -0.658 14.062 -9.090 433 2HH1 ARG 112 1HH2 ARG 112 -1.766 14.890 -7.884 434 1HH2 ARG 112 1HH1 ARG 112 -2.194 12.056 -5.984 435 2HH2 ARG 112 2HH1 ARG 112 -2.572 13.831 -6.250 436 H ASP 113 H ASP 113 0.903 8.645 -13.096 437 HA ASP 113 HA ASP 113 3.240 9.502 -14.873 438 1HB ASP 113 1HB ASP 113 2.530 8.148 -16.747 439 2HB ASP 113 2HB ASP 113 3.078 7.191 -15.405 440 H GLY 114 H GLY 114 2.710 11.561 -15.058 441 1HA GLY 114 1HA GLY 114 1.675 13.342 -16.309 442 2HA GLY 114 2HA GLY 114 0.326 12.317 -16.733 443 H ALA 115 H ALA 115 -1.534 12.702 -15.660 444 HA ALA 115 HA ALA 115 -1.649 15.001 -13.744 445 1HB ALA 115 2HB ALA 115 -3.163 14.976 -15.686 446 2HB ALA 115 3HB ALA 115 -3.937 13.475 -15.124 447 3HB ALA 115 1HB ALA 115 -4.094 14.972 -14.175 448 H GLY 116 H GLY 116 -3.561 11.962 -13.555 449 1HA GLY 116 1HA GLY 116 -2.512 11.406 -10.750 450 2HA GLY 116 2HA GLY 116 -4.237 11.734 -10.875 451 H LYS 117 H LYS 117 -1.661 9.744 -12.291 452 HA LYS 117 HA LYS 117 -3.630 7.399 -12.697 453 1HB LYS 117 1HB LYS 117 -1.212 8.180 -14.425 454 2HB LYS 117 2HB LYS 117 -2.112 6.694 -14.600 455 1HG LYS 117 1HG LYS 117 -3.313 9.500 -15.013 456 2HG LYS 117 2HG LYS 117 -2.647 8.483 -16.282 457 1HD LYS 117 1HD LYS 117 -4.359 6.695 -15.800 458 2HD LYS 117 2HD LYS 117 -5.059 7.698 -14.523 459 1HE LYS 117 1HE LYS 117 -5.614 9.502 -16.198 460 2HE LYS 117 2HE LYS 117 -4.869 8.555 -17.494 461 1HZ LYS 117 3HZ LYS 117 -7.218 7.685 -15.879 462 2HZ LYS 117 1HZ LYS 117 -7.262 8.239 -17.435 463 3HZ LYS 117 2HZ LYS 117 -6.521 6.803 -17.089 464 H TYR 118 H TYR 118 -3.199 6.644 -10.689 465 HA TYR 118 HA TYR 118 -0.503 6.456 -9.536 466 1HB TYR 118 1HB TYR 118 -3.053 5.060 -8.481 467 2HB TYR 118 2HB TYR 118 -1.585 5.344 -7.598 468 HD1 TYR 118 HD2 TYR 118 -0.914 7.793 -7.002 469 HD2 TYR 118 HD1 TYR 118 -4.785 6.747 -8.566 470 HE1 TYR 118 HE2 TYR 118 -1.859 9.872 -6.099 471 HE2 TYR 118 HE1 TYR 118 -5.709 8.834 -7.661 472 HH TYR 118 HH TYR 118 -3.673 11.123 -5.845 473 H PHE 119 H PHE 119 0.917 4.963 -10.083 474 HA PHE 119 HA PHE 119 0.068 2.040 -10.416 475 1HB PHE 119 1HB PHE 119 1.517 1.535 -12.127 476 2HB PHE 119 2HB PHE 119 0.621 2.917 -12.647 477 HD1 PHE 119 HD2 PHE 119 1.785 5.282 -12.592 478 HD2 PHE 119 HD1 PHE 119 3.913 1.556 -12.278 479 HE1 PHE 119 HE2 PHE 119 3.833 6.368 -13.412 480 HE2 PHE 119 HE1 PHE 119 5.944 2.656 -13.135 481 HZ PHE 119 HZ PHE 119 5.901 5.056 -13.724 482 H LEU 120 H LEU 120 0.827 0.926 -8.868 483 HA LEU 120 HA LEU 120 3.335 1.644 -7.301 484 1HB LEU 120 1HB LEU 120 1.179 1.019 -6.130 485 2HB LEU 120 2HB LEU 120 1.239 -0.575 -6.829 486 HG LEU 120 HG LEU 120 1.870 -0.501 -4.485 487 1HD1 LEU 120 3HD2 LEU 120 2.908 -2.302 -5.919 488 2HD1 LEU 120 1HD2 LEU 120 4.395 -1.335 -6.037 489 3HD1 LEU 120 2HD2 LEU 120 3.852 -1.916 -4.454 490 1HD2 LEU 120 3HD1 LEU 120 3.013 1.833 -4.581 491 2HD2 LEU 120 1HD1 LEU 120 3.716 0.628 -3.509 492 3HD2 LEU 120 2HD1 LEU 120 4.484 0.977 -5.078 493 H TRP 121 H TRP 121 1.973 -1.265 -8.900 494 HA TRP 121 HA TRP 121 4.612 -2.630 -9.079 495 1HB TRP 121 1HB TRP 121 2.495 -3.734 -8.425 496 2HB TRP 121 2HB TRP 121 1.752 -3.323 -9.951 497 HD1 TRP 121 HD1 TRP 121 4.913 -5.453 -8.812 498 HE1 TRP 121 HE1 TRP 121 4.777 -7.850 -9.890 499 HE3 TRP 121 HE3 TRP 121 0.753 -4.582 -11.650 500 HZ2 TRP 121 HZ2 TRP 121 2.955 -9.075 -11.720 501 HZ3 TRP 121 HZ3 TRP 121 -0.157 -6.418 -13.019 502 HH2 TRP 121 HH2 TRP 121 0.918 -8.633 -13.050 503 H VAL 122 H VAL 122 2.302 -2.403 -11.806 504 HA VAL 122 HA VAL 122 4.271 -0.857 -13.476 505 HB VAL 122 HB VAL 122 4.072 -2.367 -15.473 506 1HG1 VAL 122 2HG2 VAL 122 6.182 -2.196 -14.148 507 2HG1 VAL 122 3HG2 VAL 122 5.682 -3.590 -13.159 508 3HG1 VAL 122 1HG2 VAL 122 5.982 -3.789 -14.901 509 1HG2 VAL 122 3HG1 VAL 122 2.213 -3.931 -14.776 510 2HG2 VAL 122 1HG1 VAL 122 3.682 -4.795 -15.253 511 3HG2 VAL 122 2HG1 VAL 122 3.277 -4.625 -13.532 512 H VAL 123 H VAL 123 1.031 -2.471 -13.685 513 HA VAL 123 HA VAL 123 0.127 -0.543 -15.698 514 HB VAL 123 HB VAL 123 -2.117 -1.708 -15.339 515 1HG1 VAL 123 3HG2 VAL 123 -0.594 -2.288 -17.208 516 2HG1 VAL 123 1HG2 VAL 123 0.232 -3.491 -16.189 517 3HG1 VAL 123 2HG2 VAL 123 -1.479 -3.713 -16.632 518 1HG2 VAL 123 2HG1 VAL 123 -1.756 -2.653 -13.005 519 2HG2 VAL 123 3HG1 VAL 123 -2.319 -3.842 -14.197 520 3HG2 VAL 123 1HG1 VAL 123 -0.613 -3.819 -13.691 521 H LYS 124 H LYS 124 -1.261 1.083 -15.583 522 HA LYS 124 HA LYS 124 -1.414 2.471 -12.925 523 1HB LYS 124 1HB LYS 124 -1.400 4.505 -14.002 524 2HB LYS 124 2HB LYS 124 -0.275 3.540 -14.906 525 1HG LYS 124 1HG LYS 124 -3.120 4.367 -15.769 526 2HG LYS 124 2HG LYS 124 -1.609 5.060 -16.322 527 1HD LYS 124 1HD LYS 124 -0.975 2.821 -17.353 528 2HD LYS 124 2HD LYS 124 -2.552 2.182 -16.908 529 1HE LYS 124 1HE LYS 124 -2.106 4.619 -18.771 530 2HE LYS 124 2HE LYS 124 -2.356 2.965 -19.323 531 1HZ LYS 124 3HZ LYS 124 -4.555 2.982 -18.276 532 2HZ LYS 124 1HZ LYS 124 -4.339 4.532 -17.748 533 3HZ LYS 124 2HZ LYS 124 -4.415 4.214 -19.368 534 H PHE 125 H PHE 125 -3.074 3.677 -12.187 535 HA PHE 125 HA PHE 125 -5.921 2.895 -12.966 536 1HB PHE 125 1HB PHE 125 -4.831 2.457 -10.105 537 2HB PHE 125 2HB PHE 125 -6.482 2.240 -10.613 538 HD1 PHE 125 HD2 PHE 125 -6.950 0.415 -12.513 539 HD2 PHE 125 HD1 PHE 125 -3.259 0.651 -10.324 540 HE1 PHE 125 HE2 PHE 125 -6.341 -1.842 -13.270 541 HE2 PHE 125 HE1 PHE 125 -2.681 -1.614 -11.050 542 HZ PHE 125 HZ PHE 125 -4.206 -2.851 -12.573 543 H ASN 126 H ASN 126 -7.017 4.715 -13.002 544 HA ASN 126 HA ASN 126 -6.044 7.264 -12.207 545 1HB ASN 126 1HB ASN 126 -7.819 6.790 -13.947 546 2HB ASN 126 2HB ASN 126 -8.988 6.527 -12.673 547 1HD2 ASN 126 1HD2 ASN 126 -7.896 10.406 -13.620 548 2HD2 ASN 126 2HD2 ASN 126 -6.891 8.975 -14.177 549 H SER 127 H SER 127 -8.225 5.223 -10.232 550 HA SER 127 HA SER 127 -8.076 7.277 -7.959 551 1HB SER 127 1HB SER 127 -10.364 6.505 -8.699 552 2HB SER 127 2HB SER 127 -9.941 4.835 -8.303 553 HG SER 127 HG SER 127 -11.041 5.900 -6.645 554 H LEU 128 H LEU 128 -7.452 6.619 -5.918 555 HA LEU 128 HA LEU 128 -5.463 4.416 -5.613 556 1HB LEU 128 1HB LEU 128 -6.786 6.216 -3.508 557 2HB LEU 128 2HB LEU 128 -5.625 4.979 -3.088 558 HG LEU 128 HG LEU 128 -4.960 7.299 -4.982 559 1HD1 LEU 128 2HD1 LEU 128 -5.507 8.147 -2.689 560 2HD1 LEU 128 3HD1 LEU 128 -4.322 7.022 -1.978 561 3HD1 LEU 128 1HD1 LEU 128 -3.783 8.335 -3.053 562 1HD2 LEU 128 2HD2 LEU 128 -3.109 5.242 -3.585 563 2HD2 LEU 128 3HD2 LEU 128 -3.411 5.369 -5.333 564 3HD2 LEU 128 1HD2 LEU 128 -2.553 6.669 -4.492 565 H ASN 129 H ASN 129 -8.940 4.681 -4.875 566 HA ASN 129 HA ASN 129 -9.147 2.105 -3.455 567 1HB ASN 129 1HB ASN 129 -11.442 3.409 -4.974 568 2HB ASN 129 2HB ASN 129 -11.517 2.126 -3.772 569 1HD2 ASN 129 1HD2 ASN 129 -12.125 4.548 -1.246 570 2HD2 ASN 129 2HD2 ASN 129 -12.462 2.906 -1.991 571 H GLU 130 H GLU 130 -9.432 2.952 -6.943 572 HA GLU 130 HA GLU 130 -9.955 0.280 -7.966 573 1HB GLU 130 1HB GLU 130 -10.259 2.530 -9.122 574 2HB GLU 130 2HB GLU 130 -8.511 2.690 -9.254 575 1HG GLU 130 1HG GLU 130 -8.460 0.608 -10.677 576 2HG GLU 130 2HG GLU 130 -10.212 0.448 -10.497 577 H LEU 131 H LEU 131 -6.839 1.976 -7.360 578 HA LEU 131 HA LEU 131 -5.008 -0.140 -8.134 579 1HB LEU 131 1HB LEU 131 -4.338 2.234 -7.735 580 2HB LEU 131 2HB LEU 131 -4.749 2.091 -6.042 581 HG LEU 131 HG LEU 131 -2.870 0.389 -5.749 582 1HD1 LEU 131 3HD2 LEU 131 -2.593 -0.340 -8.159 583 2HD1 LEU 131 1HD2 LEU 131 -1.975 1.283 -8.569 584 3HD1 LEU 131 2HD2 LEU 131 -1.075 0.235 -7.451 585 1HD2 LEU 131 2HD1 LEU 131 -2.604 2.785 -5.103 586 2HD2 LEU 131 3HD1 LEU 131 -1.077 2.116 -5.705 587 3HD2 LEU 131 1HD1 LEU 131 -2.046 3.187 -6.745 588 H VAL 132 H VAL 132 -6.545 0.376 -4.883 589 HA VAL 132 HA VAL 132 -5.182 -1.940 -3.696 590 HB VAL 132 HB VAL 132 -6.522 -1.970 -1.796 591 1HG1 VAL 132 2HG1 VAL 132 -4.825 -0.218 -1.866 592 2HG1 VAL 132 3HG1 VAL 132 -5.989 0.955 -2.542 593 3HG1 VAL 132 1HG1 VAL 132 -6.223 0.318 -0.903 594 1HG2 VAL 132 2HG2 VAL 132 -8.859 -1.695 -2.565 595 2HG2 VAL 132 3HG2 VAL 132 -8.483 -0.581 -1.263 596 3HG2 VAL 132 1HG2 VAL 132 -8.558 0.016 -2.937 597 H ASP 133 H ASP 133 -8.505 -1.690 -5.050 598 HA ASP 133 HA ASP 133 -9.148 -4.420 -4.454 599 1HB ASP 133 1HB ASP 133 -10.429 -2.607 -6.602 600 2HB ASP 133 2HB ASP 133 -11.070 -4.178 -6.154 601 H TYR 134 H TYR 134 -7.598 -3.162 -7.425 602 HA TYR 134 HA TYR 134 -7.529 -5.722 -8.898 603 1HB TYR 134 1HB TYR 134 -7.068 -3.574 -10.022 604 2HB TYR 134 2HB TYR 134 -5.711 -3.235 -8.982 605 HD1 TYR 134 HD2 TYR 134 -6.893 -5.486 -11.752 606 HD2 TYR 134 HD1 TYR 134 -3.503 -4.208 -9.431 607 HE1 TYR 134 HE2 TYR 134 -5.379 -6.612 -13.325 608 HE2 TYR 134 HE1 TYR 134 -2.000 -5.335 -11.009 609 HH TYR 134 HH TYR 134 -3.279 -7.072 -13.854 610 H HIS 135 H HIS 135 -5.122 -4.177 -6.707 611 HA HIS 135 HA HIS 135 -3.431 -6.601 -6.627 612 1HB HIS 135 1HB HIS 135 -3.250 -3.918 -5.138 613 2HB HIS 135 2HB HIS 135 -2.155 -5.234 -4.815 614 HD2 HIS 135 HD2 HIS 135 -1.716 -2.235 -6.492 615 HE1 HIS 135 HE1 HIS 135 0.136 -4.834 -9.129 616 HE2 HIS 135 HE2 HIS 135 -0.073 -2.334 -8.560 617 H ARG 136 H ARG 136 -6.224 -6.109 -4.854 618 HA ARG 136 HA ARG 136 -5.520 -7.676 -2.431 619 1HB ARG 136 1HB ARG 136 -8.171 -7.032 -3.850 620 2HB ARG 136 2HB ARG 136 -8.126 -8.172 -2.517 621 1HG ARG 136 1HG ARG 136 -7.134 -6.470 -0.987 622 2HG ARG 136 2HG ARG 136 -7.043 -5.305 -2.288 623 1HD ARG 136 1HD ARG 136 -9.630 -5.501 -2.517 624 2HD ARG 136 2HD ARG 136 -9.628 -6.477 -1.060 625 HE ARG 136 HE ARG 136 -9.228 -3.512 -1.266 626 1HH1 ARG 136 2HH2 ARG 136 -8.683 -6.297 0.873 627 2HH1 ARG 136 1HH2 ARG 136 -8.689 -5.190 2.336 628 1HH2 ARG 136 1HH1 ARG 136 -9.218 -2.349 0.466 629 2HH2 ARG 136 2HH1 ARG 136 -8.971 -3.106 2.119 630 H SER 137 H SER 137 -6.057 -8.602 -5.745 631 HA SER 137 HA SER 137 -5.717 -11.530 -5.049 632 1HB SER 137 1HB SER 137 -6.882 -10.348 -7.643 633 2HB SER 137 2HB SER 137 -6.518 -12.056 -7.379 634 HG SER 137 HG SER 137 -8.666 -11.554 -6.939 635 H THR 138 H THR 138 -4.489 -8.863 -7.137 636 HA THR 138 HA THR 138 -2.261 -10.604 -8.201 637 HB THR 138 HB THR 138 -2.983 -7.664 -8.844 638 HG1 THR 138 HG1 THR 138 -3.565 -10.076 -10.206 639 1HG2 THR 138 1HG2 THR 138 -1.154 -9.627 -10.383 640 2HG2 THR 138 2HG2 THR 138 -1.775 -8.097 -11.040 641 3HG2 THR 138 3HG2 THR 138 -0.676 -8.070 -9.656 642 H SER 139 H SER 139 -0.056 -9.986 -8.139 643 HA SER 139 HA SER 139 0.899 -9.224 -5.458 644 1HB SER 139 1HB SER 139 1.981 -10.997 -6.805 645 2HB SER 139 2HB SER 139 2.467 -9.828 -8.043 646 HG SER 139 HG SER 139 4.107 -10.235 -6.568 647 H VAL 140 H VAL 140 1.622 -7.312 -4.710 648 HA VAL 140 HA VAL 140 1.909 -4.880 -6.417 649 HB VAL 140 HB VAL 140 2.661 -3.808 -4.228 650 1HG1 VAL 140 3HG2 VAL 140 0.432 -3.470 -5.150 651 2HG1 VAL 140 1HG2 VAL 140 -0.138 -4.963 -4.350 652 3HG1 VAL 140 2HG2 VAL 140 0.340 -3.551 -3.389 653 1HG2 VAL 140 2HG1 VAL 140 3.333 -5.746 -2.844 654 2HG2 VAL 140 3HG1 VAL 140 2.117 -4.723 -2.065 655 3HG2 VAL 140 1HG1 VAL 140 1.626 -6.273 -2.778 656 H SER 141 H SER 141 4.187 -7.122 -4.788 657 HA SER 141 HA SER 141 6.467 -5.265 -5.031 658 1HB SER 141 1HB SER 141 6.133 -6.882 -3.134 659 2HB SER 141 2HB SER 141 6.474 -8.226 -4.219 660 HG SER 141 HG SER 141 8.186 -6.033 -3.653 661 H ARG 142 H ARG 142 5.632 -8.206 -6.922 662 HA ARG 142 HA ARG 142 6.406 -8.909 -9.013 663 1HB ARG 142 1HB ARG 142 7.132 -6.497 -9.626 664 2HB ARG 142 2HB ARG 142 8.729 -6.915 -9.058 665 1HG ARG 142 1HG ARG 142 8.869 -7.206 -11.371 666 2HG ARG 142 2HG ARG 142 8.757 -8.856 -10.778 667 1HD ARG 142 1HD ARG 142 6.269 -8.875 -11.376 668 2HD ARG 142 2HD ARG 142 6.406 -7.193 -11.917 669 HE ARG 142 HE ARG 142 8.346 -8.911 -13.354 670 1HH1 ARG 142 2HH2 ARG 142 4.901 -8.023 -13.307 671 2HH1 ARG 142 1HH2 ARG 142 4.747 -8.473 -15.079 672 1HH2 ARG 142 1HH1 ARG 142 8.053 -9.392 -15.367 673 2HH2 ARG 142 2HH1 ARG 142 6.412 -9.195 -16.164 674 H ASN 143 H ASN 143 7.227 -10.849 -8.854 675 HA ASN 143 HA ASN 143 8.627 -12.653 -8.431 676 1HB ASN 143 1HB ASN 143 10.764 -10.960 -7.044 677 2HB ASN 143 2HB ASN 143 10.844 -12.666 -7.383 678 1HD2 ASN 143 1HD2 ASN 143 11.927 -10.161 -10.368 679 2HD2 ASN 143 2HD2 ASN 143 11.473 -9.589 -8.685 680 H GLN 144 H GLN 144 8.584 -10.510 -5.561 681 HA GLN 144 HA GLN 144 7.823 -12.797 -3.728 682 1HB GLN 144 1HB GLN 144 7.900 -9.756 -3.203 683 2HB GLN 144 2HB GLN 144 7.461 -10.968 -2.012 684 1HG GLN 144 1HG GLN 144 9.742 -11.983 -2.118 685 2HG GLN 144 2HG GLN 144 10.230 -10.842 -3.364 686 1HE2 GLN 144 2HE2 GLN 144 10.760 -8.162 -0.986 687 2HE2 GLN 144 1HE2 GLN 144 10.664 -8.670 -2.747 688 H GLN 145 H GLN 145 5.759 -13.418 -3.495 689 HA GLN 145 HA GLN 145 3.547 -11.951 -4.943 690 1HB GLN 145 1HB GLN 145 3.537 -14.712 -3.616 691 2HB GLN 145 2HB GLN 145 2.172 -13.993 -4.436 692 1HG GLN 145 1HG GLN 145 4.859 -14.738 -5.744 693 2HG GLN 145 2HG GLN 145 3.358 -15.627 -5.865 694 1HE2 GLN 145 2HE2 GLN 145 3.946 -12.602 -8.504 695 2HE2 GLN 145 1HE2 GLN 145 5.210 -13.160 -7.297 696 H ILE 146 H ILE 146 3.046 -10.221 -3.771 697 HA ILE 146 HA ILE 146 2.277 -10.522 -0.819 698 HB ILE 146 HB ILE 146 3.033 -7.955 -2.256 699 1HG1 ILE 146 1HG1 ILE 146 5.043 -9.223 -2.249 700 2HG1 ILE 146 2HG1 ILE 146 5.165 -7.904 -1.106 701 1HG2 ILE 146 2HG2 ILE 146 1.558 -7.529 -0.285 702 2HG2 ILE 146 3HG2 ILE 146 2.622 -8.487 0.752 703 3HG2 ILE 146 1HG2 ILE 146 3.199 -6.956 0.062 704 1HD1 ILE 146 2HD1 ILE 146 4.731 -10.872 -0.348 705 2HD1 ILE 146 3HD1 ILE 146 6.253 -9.955 -0.224 706 3HD1 ILE 146 1HD1 ILE 146 4.879 -9.522 0.810 707 H PHE 147 H PHE 147 0.258 -10.776 -0.671 708 HA PHE 147 HA PHE 147 -1.752 -9.526 -2.645 709 1HB PHE 147 1HB PHE 147 -2.169 -12.083 -1.019 710 2HB PHE 147 2HB PHE 147 -3.278 -11.389 -2.178 711 HD1 PHE 147 HD2 PHE 147 -1.415 -10.716 -4.532 712 HD2 PHE 147 HD1 PHE 147 -1.645 -14.193 -2.001 713 HE1 PHE 147 HE2 PHE 147 -0.487 -12.096 -6.332 714 HE2 PHE 147 HE1 PHE 147 -0.732 -15.558 -3.831 715 HZ PHE 147 HZ PHE 147 -0.148 -14.520 -5.989 716 H LEU 148 H LEU 148 -2.939 -8.026 -1.901 717 HA LEU 148 HA LEU 148 -2.656 -7.039 0.811 718 1HB LEU 148 1HB LEU 148 -4.138 -6.066 -1.683 719 2HB LEU 148 2HB LEU 148 -4.480 -5.305 -0.166 720 HG LEU 148 HG LEU 148 -2.152 -4.632 0.186 721 1HD1 LEU 148 1HD2 LEU 148 -1.462 -5.917 -2.537 722 2HD1 LEU 148 2HD2 LEU 148 -0.403 -4.836 -1.586 723 3HD1 LEU 148 3HD2 LEU 148 -0.841 -6.418 -0.945 724 1HD2 LEU 148 2HD1 LEU 148 -3.702 -3.116 -1.076 725 2HD2 LEU 148 3HD1 LEU 148 -2.034 -2.922 -1.642 726 3HD2 LEU 148 1HD1 LEU 148 -3.201 -3.850 -2.616 727 H ARG 149 H ARG 149 -3.848 -6.964 2.491 728 HA ARG 149 HA ARG 149 -6.741 -7.961 2.584 729 1HB ARG 149 1HB ARG 149 -4.592 -8.519 4.738 730 2HB ARG 149 2HB ARG 149 -6.262 -9.036 4.792 731 1HG ARG 149 1HG ARG 149 -4.139 -10.036 2.806 732 2HG ARG 149 2HG ARG 149 -4.633 -10.851 4.281 733 1HD ARG 149 1HD ARG 149 -6.937 -11.196 3.375 734 2HD ARG 149 2HD ARG 149 -6.551 -10.292 1.918 735 HE ARG 149 HE ARG 149 -5.401 -13.027 2.705 736 1HH1 ARG 149 2HH2 ARG 149 -5.729 -10.547 0.179 737 2HH1 ARG 149 1HH2 ARG 149 -5.002 -11.695 -1.055 738 1HH2 ARG 149 1HH1 ARG 149 -4.588 -14.240 1.221 739 2HH2 ARG 149 2HH1 ARG 149 -4.402 -13.641 -0.503 740 H ASP 150 H ASP 150 -7.986 -6.987 4.251 741 HA ASP 150 HA ASP 150 -7.257 -4.153 4.758 742 1HB ASP 150 1HB ASP 150 -9.602 -5.146 4.102 743 2HB ASP 150 2HB ASP 150 -9.780 -5.613 5.781 744 H ILE 151 H ILE 151 -7.369 -3.070 6.790 745 HA ILE 151 HA ILE 151 -5.701 -4.304 8.864 746 HB ILE 151 HB ILE 151 -7.239 -1.706 9.303 747 1HG1 ILE 151 1HG1 ILE 151 -4.452 -1.809 7.966 748 2HG1 ILE 151 2HG1 ILE 151 -5.926 -1.606 7.051 749 1HG2 ILE 151 2HG2 ILE 151 -6.030 -2.530 11.325 750 2HG2 ILE 151 3HG2 ILE 151 -4.509 -2.609 10.399 751 3HG2 ILE 151 1HG2 ILE 151 -5.289 -1.051 10.753 752 1HD1 ILE 151 3HD1 ILE 151 -6.473 0.525 8.331 753 2HD1 ILE 151 1HD1 ILE 151 -4.867 0.416 9.106 754 3HD1 ILE 151 2HD1 ILE 151 -4.997 0.591 7.349 755 H GLU 152 H GLU 152 -6.255 -4.536 11.071 756 HA GLU 152 HA GLU 152 -9.067 -5.692 11.546 757 1HB GLU 152 1HB GLU 152 -7.182 -7.379 11.631 758 2HB GLU 152 2HB GLU 152 -6.483 -6.511 12.993 759 1HG GLU 152 1HG GLU 152 -8.556 -6.949 14.360 760 2HG GLU 152 2HG GLU 152 -9.314 -7.741 12.981 761 HXT GLU 152 HO OH 153 -10.073 -4.195 12.361 No H/Q in entry = 761 Start of MODEL 16 1 1H GLY 58 1H GLY 58 -9.943 5.926 7.380 2 2H GLY 58 2H GLY 58 -10.318 6.966 6.176 3 1HA GLY 58 1HA GLY 58 -12.306 5.409 7.748 4 2HA GLY 58 2HA GLY 58 -12.697 6.525 6.441 5 H SER 59 H SER 59 -11.559 3.390 7.227 6 HA SER 59 HA SER 59 -11.214 1.425 6.055 7 1HB SER 59 1HB SER 59 -12.603 2.699 3.638 8 2HB SER 59 2HB SER 59 -12.171 0.996 3.807 9 HG SER 59 HG SER 59 -13.839 2.476 5.562 10 H TRP 60 H TRP 60 -9.151 1.067 5.919 11 HA TRP 60 HA TRP 60 -6.897 1.332 5.608 12 1HB TRP 60 1HB TRP 60 -6.031 0.852 3.355 13 2HB TRP 60 2HB TRP 60 -7.252 -0.224 3.954 14 HD1 TRP 60 HD1 TRP 60 -9.570 -0.373 2.726 15 HE1 TRP 60 HE1 TRP 60 -10.570 0.411 0.383 16 HE3 TRP 60 HE3 TRP 60 -5.986 3.051 1.739 17 HZ2 TRP 60 HZ2 TRP 60 -9.755 2.429 -1.492 18 HZ3 TRP 60 HZ3 TRP 60 -6.184 4.479 -0.276 19 HH2 TRP 60 HH2 TRP 60 -8.048 4.174 -1.857 20 H PHE 61 H PHE 61 -8.398 4.128 4.717 21 HA PHE 61 HA PHE 61 -5.895 5.457 3.630 22 1HB PHE 61 1HB PHE 61 -8.177 5.687 2.510 23 2HB PHE 61 2HB PHE 61 -8.741 6.620 3.871 24 HD1 PHE 61 HD2 PHE 61 -6.458 6.583 0.924 25 HD2 PHE 61 HD1 PHE 61 -7.872 8.976 4.212 26 HE1 PHE 61 HE2 PHE 61 -5.496 8.594 -0.109 27 HE2 PHE 61 HE1 PHE 61 -6.877 10.972 3.172 28 HZ PHE 61 HZ PHE 61 -5.683 10.785 1.014 29 H PHE 62 H PHE 62 -4.678 6.762 4.753 30 HA PHE 62 HA PHE 62 -5.576 7.895 7.472 31 1HB PHE 62 1HB PHE 62 -2.809 6.984 6.606 32 2HB PHE 62 2HB PHE 62 -3.029 8.179 7.853 33 HD1 PHE 62 HD1 PHE 62 -4.225 4.667 6.975 34 HD2 PHE 62 HD2 PHE 62 -3.404 7.511 10.102 35 HE1 PHE 62 HE1 PHE 62 -4.682 2.950 8.675 36 HE2 PHE 62 HE2 PHE 62 -3.829 5.770 11.782 37 HZ PHE 62 HZ PHE 62 -4.472 3.490 11.076 38 H GLY 63 H GLY 63 -3.219 8.845 4.912 39 1HA GLY 63 1HA GLY 63 -3.483 10.920 3.578 40 2HA GLY 63 2HA GLY 63 -4.558 11.599 4.776 41 H LYS 64 H LYS 64 -1.246 10.657 4.165 42 HA LYS 64 HA LYS 64 0.786 11.555 4.647 43 1HB LYS 64 1HB LYS 64 -0.476 13.690 3.906 44 2HB LYS 64 2HB LYS 64 -0.431 14.184 5.591 45 1HG LYS 64 1HG LYS 64 2.125 13.940 5.529 46 2HG LYS 64 2HG LYS 64 2.015 13.435 3.843 47 1HD LYS 64 1HD LYS 64 0.921 15.689 3.286 48 2HD LYS 64 2HD LYS 64 1.170 16.180 4.966 49 1HE LYS 64 1HE LYS 64 3.700 15.814 4.648 50 2HE LYS 64 2HE LYS 64 3.399 15.404 2.954 51 1HZ LYS 64 1HZ LYS 64 2.453 17.635 2.648 52 2HZ LYS 64 2HZ LYS 64 2.734 18.014 4.231 53 3HZ LYS 64 3HZ LYS 64 4.003 17.728 3.214 54 H ILE 65 H ILE 65 0.832 9.874 6.172 55 HA ILE 65 HA ILE 65 1.660 10.946 8.912 56 HB ILE 65 HB ILE 65 1.266 8.816 9.972 57 1HG1 ILE 65 1HG1 ILE 65 -0.250 7.719 7.549 58 2HG1 ILE 65 2HG1 ILE 65 1.445 7.354 7.827 59 1HG2 ILE 65 2HG2 ILE 65 -0.505 10.567 10.055 60 2HG2 ILE 65 3HG2 ILE 65 -1.327 9.819 8.665 61 3HG2 ILE 65 1HG2 ILE 65 -1.184 8.935 10.203 62 1HD1 ILE 65 1HD1 ILE 65 0.947 6.352 10.067 63 2HD1 ILE 65 2HD1 ILE 65 -0.792 6.655 9.820 64 3HD1 ILE 65 3HD1 ILE 65 0.079 5.536 8.748 65 HA PRO 66 HA PRO 66 5.743 9.515 7.604 66 1HB PRO 66 1HB PRO 66 7.120 9.237 9.988 67 2HB PRO 66 2HB PRO 66 6.536 10.789 9.371 68 1HG PRO 66 1HG PRO 66 5.196 8.989 11.450 69 2HG PRO 66 2HG PRO 66 5.523 10.735 11.572 70 1HD PRO 66 1HD PRO 66 3.060 9.746 10.787 71 2HD PRO 66 2HD PRO 66 3.685 11.281 10.116 72 H ARG 67 H ARG 67 7.406 7.808 7.882 73 HA ARG 67 HA ARG 67 6.345 5.118 7.480 74 1HB ARG 67 1HB ARG 67 8.427 6.087 6.468 75 2HB ARG 67 2HB ARG 67 9.257 6.011 8.000 76 1HG ARG 67 1HG ARG 67 9.276 3.598 8.029 77 2HG ARG 67 2HG ARG 67 8.072 3.448 6.775 78 1HD ARG 67 1HD ARG 67 10.903 4.593 6.301 79 2HD ARG 67 2HD ARG 67 10.449 2.897 6.085 80 HE ARG 67 HE ARG 67 8.652 4.649 4.509 81 1HH1 ARG 67 2HH2 ARG 67 11.894 3.192 4.434 82 2HH1 ARG 67 1HH2 ARG 67 11.916 3.304 2.603 83 1HH2 ARG 67 1HH1 ARG 67 8.785 4.729 2.431 84 2HH2 ARG 67 2HH1 ARG 67 10.272 4.117 1.547 85 H ALA 68 H ALA 68 7.908 6.520 10.297 86 HA ALA 68 HA ALA 68 8.144 4.012 11.873 87 1HB ALA 68 2HB ALA 68 9.649 5.938 12.335 88 2HB ALA 68 3HB ALA 68 8.270 6.926 12.883 89 3HB ALA 68 1HB ALA 68 8.756 5.477 13.796 90 H LYS 69 H LYS 69 5.686 6.652 11.980 91 HA LYS 69 HA LYS 69 3.992 5.267 13.996 92 1HB LYS 69 1HB LYS 69 3.255 7.517 12.039 93 2HB LYS 69 2HB LYS 69 2.163 6.884 13.248 94 1HG LYS 69 1HG LYS 69 4.837 8.269 13.887 95 2HG LYS 69 2HG LYS 69 3.252 9.026 13.905 96 1HD LYS 69 1HD LYS 69 2.496 7.431 15.730 97 2HD LYS 69 2HD LYS 69 4.102 6.696 15.745 98 1HE LYS 69 1HE LYS 69 5.131 8.930 16.378 99 2HE LYS 69 2HE LYS 69 3.521 9.667 16.382 100 1HZ LYS 69 2HZ LYS 69 4.376 7.415 18.139 101 2HZ LYS 69 3HZ LYS 69 4.193 8.990 18.603 102 3HZ LYS 69 1HZ LYS 69 2.875 8.106 18.145 103 H ALA 70 H ALA 70 4.166 5.034 10.475 104 HA ALA 70 HA ALA 70 1.650 3.430 10.160 105 1HB ALA 70 3HB ALA 70 4.087 3.767 8.300 106 2HB ALA 70 1HB ALA 70 2.585 2.917 7.867 107 3HB ALA 70 2HB ALA 70 2.546 4.655 8.228 108 H GLU 71 H GLU 71 5.107 2.596 10.532 109 HA GLU 71 HA GLU 71 4.780 -0.337 10.578 110 1HB GLU 71 1HB GLU 71 6.983 1.484 11.730 111 2HB GLU 71 2HB GLU 71 7.061 -0.269 11.789 112 1HG GLU 71 1HG GLU 71 7.037 -0.449 9.311 113 2HG GLU 71 2HG GLU 71 6.831 1.285 9.140 114 H GLU 72 H GLU 72 4.801 2.091 13.225 115 HA GLU 72 HA GLU 72 4.452 0.357 15.503 116 1HB GLU 72 1HB GLU 72 4.975 2.830 15.519 117 2HB GLU 72 2HB GLU 72 3.326 3.181 15.019 118 1HG GLU 72 1HG GLU 72 2.509 2.113 17.222 119 2HG GLU 72 2HG GLU 72 4.194 1.891 17.688 120 H MET 73 H MET 73 1.858 1.798 13.453 121 HA MET 73 HA MET 73 -0.397 0.497 14.818 122 1HB MET 73 1HB MET 73 -0.202 1.594 11.944 123 2HB MET 73 2HB MET 73 -1.687 1.010 12.670 124 1HG MET 73 1HG MET 73 -0.083 3.452 13.633 125 2HG MET 73 2HG MET 73 -1.619 3.450 12.770 126 1HE MET 73 3HE MET 73 -0.346 4.324 16.026 127 2HE MET 73 2HE MET 73 -1.116 3.296 17.270 128 3HE MET 73 1HE MET 73 0.187 2.629 16.244 129 H LEU 74 H LEU 74 1.373 -0.502 11.851 130 HA LEU 74 HA LEU 74 -0.161 -3.045 11.611 131 1HB LEU 74 1HB LEU 74 2.313 -1.984 10.136 132 2HB LEU 74 2HB LEU 74 1.588 -3.526 9.763 133 HG LEU 74 HG LEU 74 0.063 -0.871 9.571 134 1HD1 LEU 74 1HD2 LEU 74 1.916 -0.923 7.922 135 2HD1 LEU 74 2HD2 LEU 74 1.366 -2.509 7.308 136 3HD1 LEU 74 3HD2 LEU 74 0.345 -1.062 7.118 137 1HD2 LEU 74 1HD1 LEU 74 -0.717 -3.708 8.618 138 2HD2 LEU 74 2HD1 LEU 74 -1.544 -2.736 9.853 139 3HD2 LEU 74 3HD1 LEU 74 -1.586 -2.219 8.164 140 H SER 75 H SER 75 2.555 -2.398 13.627 141 HA SER 75 HA SER 75 3.805 -5.021 13.679 142 1HB SER 75 1HB SER 75 3.468 -2.988 15.972 143 2HB SER 75 2HB SER 75 4.468 -4.440 16.073 144 HG SER 75 HG SER 75 5.640 -2.636 15.435 145 H LYS 76 H LYS 76 0.823 -3.959 15.347 146 HA LYS 76 HA LYS 76 0.303 -6.409 16.876 147 1HB LYS 76 1HB LYS 76 -0.757 -4.118 17.229 148 2HB LYS 76 2HB LYS 76 -1.651 -4.318 15.730 149 1HG LYS 76 1HG LYS 76 -2.787 -6.392 16.791 150 2HG LYS 76 2HG LYS 76 -1.884 -6.061 18.262 151 1HD LYS 76 1HD LYS 76 -4.072 -5.180 18.598 152 2HD LYS 76 2HD LYS 76 -3.021 -3.779 18.417 153 1HE LYS 76 1HE LYS 76 -3.804 -3.506 16.006 154 2HE LYS 76 2HE LYS 76 -4.796 -4.963 16.159 155 1HZ LYS 76 1HZ LYS 76 -5.143 -2.481 17.772 156 2HZ LYS 76 2HZ LYS 76 -6.093 -2.956 16.507 157 3HZ LYS 76 3HZ LYS 76 -6.075 -3.838 17.903 158 H GLN 77 H GLN 77 -0.384 -5.585 13.481 159 HA GLN 77 HA GLN 77 -2.454 -7.563 13.027 160 1HB GLN 77 1HB GLN 77 -0.775 -5.769 11.197 161 2HB GLN 77 2HB GLN 77 -1.670 -7.076 10.480 162 1HG GLN 77 1HG GLN 77 -3.000 -5.110 10.327 163 2HG GLN 77 2HG GLN 77 -3.797 -6.304 11.315 164 1HE2 GLN 77 2HE2 GLN 77 -3.405 -2.622 12.864 165 2HE2 GLN 77 1HE2 GLN 77 -3.087 -3.069 11.113 166 H ARG 78 H ARG 78 -2.178 -9.575 13.209 167 HA ARG 78 HA ARG 78 0.252 -11.163 12.559 168 1HB ARG 78 1HB ARG 78 -1.026 -13.112 13.268 169 2HB ARG 78 2HB ARG 78 -1.200 -11.803 14.411 170 1HG ARG 78 1HG ARG 78 -3.515 -11.272 13.345 171 2HG ARG 78 2HG ARG 78 -3.298 -12.675 12.322 172 1HD ARG 78 1HD ARG 78 -4.752 -13.282 14.120 173 2HD ARG 78 2HD ARG 78 -3.246 -14.183 14.337 174 HE ARG 78 HE ARG 78 -2.924 -11.825 15.949 175 1HH1 ARG 78 2HH2 ARG 78 -5.243 -14.519 15.876 176 2HH1 ARG 78 1HH2 ARG 78 -5.557 -14.314 17.673 177 1HH2 ARG 78 1HH1 ARG 78 -3.357 -11.682 17.983 178 2HH2 ARG 78 2HH1 ARG 78 -4.559 -12.814 18.783 179 H HIS 79 H HIS 79 -2.426 -10.240 10.551 180 HA HIS 79 HA HIS 79 -2.369 -12.649 8.829 181 1HB HIS 79 1HB HIS 79 -3.869 -10.009 8.313 182 2HB HIS 79 2HB HIS 79 -4.173 -11.549 7.550 183 HD2 HIS 79 HD2 HIS 79 -4.982 -13.639 9.425 184 HE1 HIS 79 HE1 HIS 79 -6.578 -10.972 12.183 185 HE2 HIS 79 HE2 HIS 79 -6.534 -13.466 11.572 186 H ASP 80 H ASP 80 -1.484 -12.922 6.880 187 HA ASP 80 HA ASP 80 0.522 -10.985 5.848 188 1HB ASP 80 1HB ASP 80 1.226 -12.588 4.238 189 2HB ASP 80 2HB ASP 80 1.123 -13.319 5.813 190 H GLY 81 H GLY 81 -0.004 -9.340 4.687 191 1HA GLY 81 1HA GLY 81 -1.009 -8.433 2.483 192 2HA GLY 81 2HA GLY 81 -2.468 -9.321 2.839 193 H ALA 82 H ALA 82 -2.019 -8.392 5.863 194 HA ALA 82 HA ALA 82 -4.053 -6.349 5.870 195 1HB ALA 82 3HB ALA 82 -2.008 -7.085 8.051 196 2HB ALA 82 1HB ALA 82 -3.454 -6.084 8.295 197 3HB ALA 82 2HB ALA 82 -3.635 -7.776 7.811 198 H PHE 83 H PHE 83 -3.886 -4.345 5.078 199 HA PHE 83 HA PHE 83 -1.230 -2.809 5.336 200 1HB PHE 83 1HB PHE 83 -1.315 -2.172 3.062 201 2HB PHE 83 2HB PHE 83 -1.579 -3.867 3.091 202 HD1 PHE 83 HD1 PHE 83 -3.978 -4.765 2.554 203 HD2 PHE 83 HD2 PHE 83 -3.058 -0.577 2.299 204 HE1 PHE 83 HE1 PHE 83 -6.200 -4.330 1.606 205 HE2 PHE 83 HE2 PHE 83 -5.252 -0.163 1.294 206 HZ PHE 83 HZ PHE 83 -6.855 -2.020 1.003 207 H LEU 84 H LEU 84 -1.221 -0.619 4.878 208 HA LEU 84 HA LEU 84 -3.751 0.970 4.981 209 1HB LEU 84 1HB LEU 84 -3.234 2.492 6.714 210 2HB LEU 84 2HB LEU 84 -3.248 0.878 7.340 211 HG LEU 84 HG LEU 84 -0.533 1.096 7.012 212 1HD1 LEU 84 3HD1 LEU 84 -0.592 3.460 6.068 213 2HD1 LEU 84 1HD1 LEU 84 -1.390 4.023 7.545 214 3HD1 LEU 84 2HD1 LEU 84 0.268 3.388 7.608 215 1HD2 LEU 84 3HD2 LEU 84 -1.725 0.585 9.171 216 2HD2 LEU 84 1HD2 LEU 84 -0.352 1.685 9.406 217 3HD2 LEU 84 2HD2 LEU 84 -2.015 2.319 9.428 218 H ILE 85 H ILE 85 -3.639 2.320 3.315 219 HA ILE 85 HA ILE 85 -0.998 3.054 2.030 220 HB ILE 85 HB ILE 85 -3.905 3.531 1.228 221 1HG1 ILE 85 1HG1 ILE 85 -1.623 2.085 -0.269 222 2HG1 ILE 85 2HG1 ILE 85 -2.654 1.257 0.879 223 1HG2 ILE 85 3HG2 ILE 85 -1.450 4.695 -0.226 224 2HG2 ILE 85 1HG2 ILE 85 -3.107 4.628 -0.892 225 3HG2 ILE 85 2HG2 ILE 85 -2.779 5.602 0.535 226 1HD1 ILE 85 3HD1 ILE 85 -3.718 2.578 -1.680 227 2HD1 ILE 85 1HD1 ILE 85 -3.427 0.844 -1.405 228 3HD1 ILE 85 2HD1 ILE 85 -4.681 1.683 -0.467 229 H ARG 86 H ARG 86 0.063 4.609 2.906 230 HA ARG 86 HA ARG 86 -1.210 7.087 4.187 231 1HB ARG 86 1HB ARG 86 0.894 7.498 5.279 232 2HB ARG 86 2HB ARG 86 0.457 5.835 5.596 233 1HG ARG 86 1HG ARG 86 2.123 5.131 3.728 234 2HG ARG 86 2HG ARG 86 2.570 6.828 3.575 235 1HD ARG 86 1HD ARG 86 3.228 6.752 6.120 236 2HD ARG 86 2HD ARG 86 2.960 5.021 6.022 237 HE ARG 86 HE ARG 86 4.934 4.725 4.677 238 1HH1 ARG 86 2HH2 ARG 86 4.346 8.204 5.114 239 2HH1 ARG 86 1HH2 ARG 86 6.004 8.579 4.422 240 1HH2 ARG 86 1HH1 ARG 86 6.789 5.271 3.907 241 2HH2 ARG 86 2HH1 ARG 86 7.289 7.033 3.787 242 H GLU 87 H GLU 87 -0.327 9.169 3.561 243 HA GLU 87 HA GLU 87 0.672 9.343 0.692 244 1HB GLU 87 1HB GLU 87 -1.155 10.934 1.543 245 2HB GLU 87 2HB GLU 87 0.076 11.722 2.513 246 1HG GLU 87 1HG GLU 87 1.410 12.233 0.407 247 2HG GLU 87 2HG GLU 87 0.159 11.455 -0.557 248 H SER 88 H SER 88 2.801 9.818 0.240 249 HA SER 88 HA SER 88 4.818 9.373 2.301 250 1HB SER 88 1HB SER 88 6.525 9.685 0.621 251 2HB SER 88 2HB SER 88 5.220 8.698 -0.030 252 HG SER 88 HG SER 88 4.406 10.595 -1.028 253 H GLU 89 H GLU 89 5.840 10.690 3.574 254 HA GLU 89 HA GLU 89 4.763 13.255 4.189 255 1HB GLU 89 1HB GLU 89 5.983 11.486 5.692 256 2HB GLU 89 2HB GLU 89 7.478 12.245 5.194 257 1HG GLU 89 1HG GLU 89 6.866 13.130 7.355 258 2HG GLU 89 2HG GLU 89 6.664 14.443 6.208 259 H SER 90 H SER 90 7.958 12.665 2.664 260 HA SER 90 HA SER 90 8.600 15.547 2.317 261 1HB SER 90 1HB SER 90 9.816 13.073 0.941 262 2HB SER 90 2HB SER 90 10.427 14.722 0.786 263 HG SER 90 HG SER 90 10.666 14.780 3.053 264 H ALA 91 H ALA 91 6.837 13.220 0.256 265 HA ALA 91 HA ALA 91 6.649 15.375 -1.950 266 1HB ALA 91 3HB ALA 91 6.773 12.331 -2.317 267 2HB ALA 91 1HB ALA 91 6.483 13.529 -3.601 268 3HB ALA 91 2HB ALA 91 8.030 13.520 -2.730 269 HA PRO 92 HA PRO 92 2.221 14.791 -0.596 270 1HB PRO 92 1HB PRO 92 1.951 17.410 -2.150 271 2HB PRO 92 2HB PRO 92 1.217 16.961 -0.595 272 1HG PRO 92 1HG PRO 92 3.398 18.592 -0.642 273 2HG PRO 92 2HG PRO 92 3.298 17.307 0.584 274 1HD PRO 92 1HD PRO 92 4.898 17.270 -2.036 275 2HD PRO 92 2HD PRO 92 5.393 16.760 -0.393 276 H GLY 93 H GLY 93 3.316 15.320 -3.801 277 1HA GLY 93 1HA GLY 93 0.788 14.123 -5.082 278 2HA GLY 93 2HA GLY 93 2.144 14.781 -5.967 279 H ASP 94 H ASP 94 2.269 12.438 -3.298 280 HA ASP 94 HA ASP 94 2.767 10.067 -5.082 281 1HB ASP 94 1HB ASP 94 5.035 11.276 -4.920 282 2HB ASP 94 2HB ASP 94 4.993 11.097 -3.186 283 H PHE 95 H PHE 95 1.937 8.364 -4.071 284 HA PHE 95 HA PHE 95 1.479 8.376 -1.043 285 1HB PHE 95 1HB PHE 95 -0.100 7.087 -3.351 286 2HB PHE 95 2HB PHE 95 -0.200 6.430 -1.753 287 HD1 PHE 95 HD2 PHE 95 -0.782 9.640 -3.665 288 HD2 PHE 95 HD1 PHE 95 -1.512 7.482 -0.018 289 HE1 PHE 95 HE2 PHE 95 -2.425 11.339 -2.970 290 HE2 PHE 95 HE1 PHE 95 -3.120 9.198 0.670 291 HZ PHE 95 HZ PHE 95 -3.592 11.125 -0.805 292 H SER 96 H SER 96 1.364 6.097 -0.174 293 HA SER 96 HA SER 96 3.564 4.283 -1.161 294 1HB SER 96 1HB SER 96 3.761 5.652 1.610 295 2HB SER 96 2HB SER 96 4.696 4.231 1.132 296 HG SER 96 HG SER 96 4.676 6.727 -0.208 297 H LEU 97 H LEU 97 2.714 2.367 -1.048 298 HA LEU 97 HA LEU 97 0.474 1.524 0.801 299 1HB LEU 97 1HB LEU 97 0.504 0.745 -1.525 300 2HB LEU 97 2HB LEU 97 2.117 0.072 -1.351 301 HG LEU 97 HG LEU 97 1.145 -1.508 0.446 302 1HD1 LEU 97 3HD2 LEU 97 -0.993 -0.394 0.951 303 2HD1 LEU 97 1HD2 LEU 97 -1.565 -0.640 -0.722 304 3HD1 LEU 97 2HD2 LEU 97 -1.286 -2.034 0.351 305 1HD2 LEU 97 2HD1 LEU 97 1.756 -2.278 -1.858 306 2HD2 LEU 97 3HD1 LEU 97 0.349 -3.153 -1.234 307 3HD2 LEU 97 1HD1 LEU 97 0.125 -1.863 -2.446 308 H SER 98 H SER 98 1.033 1.212 2.779 309 HA SER 98 HA SER 98 3.685 -0.062 3.717 310 1HB SER 98 1HB SER 98 1.528 1.068 5.538 311 2HB SER 98 2HB SER 98 3.216 0.743 5.907 312 HG SER 98 HG SER 98 2.226 2.689 4.096 313 H VAL 99 H VAL 99 3.346 -2.266 3.347 314 HA VAL 99 HA VAL 99 0.665 -3.546 4.145 315 HB VAL 99 HB VAL 99 0.734 -3.409 1.819 316 1HG1 VAL 99 3HG2 VAL 99 3.158 -3.293 1.245 317 2HG1 VAL 99 1HG2 VAL 99 3.360 -5.016 1.648 318 3HG1 VAL 99 2HG2 VAL 99 2.326 -4.514 0.284 319 1HG2 VAL 99 2HG1 VAL 99 -0.200 -5.524 2.951 320 2HG2 VAL 99 3HG1 VAL 99 0.154 -5.661 1.220 321 3HG2 VAL 99 1HG1 VAL 99 1.258 -6.371 2.431 322 H LYS 100 H LYS 100 0.761 -4.895 5.680 323 HA LYS 100 HA LYS 100 3.290 -6.072 6.809 324 1HB LYS 100 1HB LYS 100 1.468 -5.085 8.234 325 2HB LYS 100 2HB LYS 100 0.346 -6.302 7.677 326 1HG LYS 100 1HG LYS 100 1.018 -6.939 9.841 327 2HG LYS 100 2HG LYS 100 1.768 -8.108 8.766 328 1HD LYS 100 1HD LYS 100 3.975 -6.880 8.981 329 2HD LYS 100 2HD LYS 100 3.187 -5.661 9.995 330 1HE LYS 100 1HE LYS 100 2.663 -7.367 11.748 331 2HE LYS 100 2HE LYS 100 3.390 -8.640 10.757 332 1HZ LYS 100 2HZ LYS 100 5.517 -7.430 10.903 333 2HZ LYS 100 3HZ LYS 100 4.822 -6.250 11.828 334 3HZ LYS 100 1HZ LYS 100 4.941 -7.792 12.409 335 H PHE 101 H PHE 101 4.039 -7.692 5.457 336 HA PHE 101 HA PHE 101 2.124 -9.959 4.644 337 1HB PHE 101 1HB PHE 101 2.716 -8.505 2.719 338 2HB PHE 101 2HB PHE 101 4.418 -8.781 2.988 339 HD1 PHE 101 HD2 PHE 101 1.175 -10.623 2.262 340 HD2 PHE 101 HD1 PHE 101 5.465 -10.692 1.921 341 HE1 PHE 101 HE2 PHE 101 1.046 -12.683 0.926 342 HE2 PHE 101 HE1 PHE 101 5.313 -12.738 0.562 343 HZ PHE 101 HZ PHE 101 3.110 -13.750 0.087 344 H GLY 102 H GLY 102 2.590 -11.196 6.396 345 1HA GLY 102 1HA GLY 102 3.666 -13.037 7.462 346 2HA GLY 102 2HA GLY 102 4.836 -13.047 6.162 347 H ASN 103 H ASN 103 4.015 -11.129 9.063 348 HA ASN 103 HA ASN 103 5.261 -9.960 10.606 349 1HB ASN 103 1HB ASN 103 5.764 -12.379 11.210 350 2HB ASN 103 2HB ASN 103 7.311 -12.225 10.406 351 1HD2 ASN 103 1HD2 ASN 103 8.693 -10.956 13.477 352 2HD2 ASN 103 2HD2 ASN 103 8.901 -11.853 11.890 353 H ASP 104 H ASP 104 5.549 -8.780 8.191 354 HA ASP 104 HA ASP 104 7.917 -7.108 8.712 355 1HB ASP 104 1HB ASP 104 8.966 -7.176 6.436 356 2HB ASP 104 2HB ASP 104 9.282 -8.542 7.476 357 H VAL 105 H VAL 105 7.540 -5.108 8.138 358 HA VAL 105 HA VAL 105 4.973 -4.449 6.606 359 HB VAL 105 HB VAL 105 6.635 -2.565 8.347 360 1HG1 VAL 105 2HG1 VAL 105 5.222 -1.427 6.531 361 2HG1 VAL 105 3HG1 VAL 105 3.784 -2.232 7.152 362 3HG1 VAL 105 1HG1 VAL 105 4.636 -1.028 8.157 363 1HG2 VAL 105 3HG2 VAL 105 5.498 -4.300 9.809 364 2HG2 VAL 105 1HG2 VAL 105 4.831 -2.679 10.055 365 3HG2 VAL 105 2HG2 VAL 105 3.936 -3.860 9.073 366 H GLN 106 H GLN 106 5.460 -4.407 4.522 367 HA GLN 106 HA GLN 106 8.106 -3.316 3.480 368 1HB GLN 106 1HB GLN 106 5.920 -4.967 2.084 369 2HB GLN 106 2HB GLN 106 7.290 -4.238 1.250 370 1HG GLN 106 1HG GLN 106 8.919 -5.471 2.621 371 2HG GLN 106 2HG GLN 106 7.642 -6.201 3.579 372 1HE2 GLN 106 2HE2 GLN 106 6.767 -8.593 0.935 373 2HE2 GLN 106 1HE2 GLN 106 6.127 -7.688 2.397 374 H HIS 107 H HIS 107 8.177 -1.328 2.898 375 HA HIS 107 HA HIS 107 5.695 0.314 2.292 376 1HB HIS 107 1HB HIS 107 8.582 0.948 3.184 377 2HB HIS 107 2HB HIS 107 7.616 2.161 2.430 378 HD2 HIS 107 HD2 HIS 107 7.032 -0.374 5.401 379 HE1 HIS 107 HE1 HIS 107 4.962 3.058 6.321 380 HE2 HIS 107 HE2 HIS 107 5.621 0.805 7.290 381 H PHE 108 H PHE 108 5.194 0.235 0.212 382 HA PHE 108 HA PHE 108 7.349 0.286 -1.983 383 1HB PHE 108 1HB PHE 108 4.455 -0.691 -2.259 384 2HB PHE 108 2HB PHE 108 5.679 -0.701 -3.495 385 HD1 PHE 108 HD2 PHE 108 7.943 -2.077 -2.908 386 HD2 PHE 108 HD1 PHE 108 4.108 -2.746 -1.070 387 HE1 PHE 108 HE2 PHE 108 8.595 -4.386 -2.360 388 HE2 PHE 108 HE1 PHE 108 4.770 -5.062 -0.564 389 HZ PHE 108 HZ PHE 108 7.003 -5.886 -1.214 390 H LYS 109 H LYS 109 7.392 2.011 -3.232 391 HA LYS 109 HA LYS 109 5.626 4.318 -2.677 392 1HB LYS 109 1HB LYS 109 6.934 5.654 -4.212 393 2HB LYS 109 2HB LYS 109 7.910 4.836 -3.016 394 1HG LYS 109 1HG LYS 109 8.763 3.213 -4.706 395 2HG LYS 109 2HG LYS 109 7.636 3.811 -5.909 396 1HD LYS 109 1HD LYS 109 9.767 4.728 -6.452 397 2HD LYS 109 2HD LYS 109 8.746 6.058 -5.918 398 1HE LYS 109 1HE LYS 109 9.896 6.020 -3.640 399 2HE LYS 109 2HE LYS 109 10.888 4.652 -4.165 400 1HZ LYS 109 2HZ LYS 109 10.885 7.353 -5.428 401 2HZ LYS 109 3HZ LYS 109 12.054 6.752 -4.427 402 3HZ LYS 109 1HZ LYS 109 11.816 6.078 -5.916 403 H VAL 110 H VAL 110 3.992 5.071 -3.696 404 HA VAL 110 HA VAL 110 2.928 3.824 -6.292 405 HB VAL 110 HB VAL 110 1.461 5.456 -4.132 406 1HG1 VAL 110 1HG2 VAL 110 0.338 4.183 -6.710 407 2HG1 VAL 110 2HG2 VAL 110 -0.645 4.905 -5.405 408 3HG1 VAL 110 3HG2 VAL 110 0.449 5.918 -6.355 409 1HG2 VAL 110 1HG1 VAL 110 1.903 3.119 -3.336 410 2HG2 VAL 110 2HG1 VAL 110 0.178 3.384 -3.629 411 3HG2 VAL 110 3HG1 VAL 110 1.147 2.465 -4.806 412 H LEU 111 H LEU 111 3.900 4.972 -7.899 413 HA LEU 111 HA LEU 111 4.386 7.950 -7.578 414 1HB LEU 111 1HB LEU 111 6.017 7.717 -9.384 415 2HB LEU 111 2HB LEU 111 6.435 6.889 -7.922 416 HG LEU 111 HG LEU 111 5.064 5.184 -10.026 417 1HD1 LEU 111 2HD1 LEU 111 6.642 6.541 -11.439 418 2HD1 LEU 111 3HD1 LEU 111 7.999 6.131 -10.362 419 3HD1 LEU 111 1HD1 LEU 111 7.205 4.862 -11.327 420 1HD2 LEU 111 2HD2 LEU 111 5.824 4.117 -7.901 421 2HD2 LEU 111 3HD2 LEU 111 6.676 3.441 -9.295 422 3HD2 LEU 111 1HD2 LEU 111 7.502 4.607 -8.230 423 H ARG 112 H ARG 112 3.428 9.362 -8.790 424 HA ARG 112 HA ARG 112 1.205 8.577 -10.650 425 1HB ARG 112 1HB ARG 112 2.194 11.366 -9.775 426 2HB ARG 112 2HB ARG 112 0.764 11.065 -10.748 427 1HG ARG 112 1HG ARG 112 -0.310 9.794 -8.855 428 2HG ARG 112 2HG ARG 112 1.113 10.101 -7.846 429 1HD ARG 112 1HD ARG 112 0.783 12.613 -8.205 430 2HD ARG 112 2HD ARG 112 -0.688 12.260 -9.121 431 HE ARG 112 HE ARG 112 -0.825 11.029 -6.436 432 1HH1 ARG 112 2HH2 ARG 112 -1.121 14.180 -8.060 433 2HH1 ARG 112 1HH2 ARG 112 -2.143 14.815 -6.674 434 1HH2 ARG 112 1HH1 ARG 112 -1.998 11.862 -4.915 435 2HH2 ARG 112 2HH1 ARG 112 -2.604 13.591 -5.019 436 H ASP 113 H ASP 113 0.899 9.587 -12.700 437 HA ASP 113 HA ASP 113 3.360 9.834 -14.419 438 1HB ASP 113 1HB ASP 113 2.005 9.815 -16.342 439 2HB ASP 113 2HB ASP 113 1.487 8.528 -15.289 440 H GLY 114 H GLY 114 0.828 12.057 -13.246 441 1HA GLY 114 1HA GLY 114 2.463 14.487 -13.588 442 2HA GLY 114 2HA GLY 114 1.384 14.308 -14.977 443 H ALA 115 H ALA 115 -0.941 14.064 -14.501 444 HA ALA 115 HA ALA 115 -1.882 15.972 -12.415 445 1HB ALA 115 2HB ALA 115 -2.929 15.998 -14.647 446 2HB ALA 115 3HB ALA 115 -3.520 14.331 -14.441 447 3HB ALA 115 1HB ALA 115 -4.140 15.635 -13.402 448 H GLY 116 H GLY 116 -3.080 12.603 -13.008 449 1HA GLY 116 1HA GLY 116 -2.485 11.679 -10.277 450 2HA GLY 116 2HA GLY 116 -4.163 12.204 -10.335 451 H LYS 117 H LYS 117 -1.857 10.196 -12.182 452 HA LYS 117 HA LYS 117 -3.971 7.966 -12.304 453 1HB LYS 117 1HB LYS 117 -1.810 8.269 -14.435 454 2HB LYS 117 2HB LYS 117 -3.068 7.064 -14.352 455 1HG LYS 117 1HG LYS 117 -3.483 10.071 -14.868 456 2HG LYS 117 2HG LYS 117 -3.484 8.801 -16.080 457 1HD LYS 117 1HD LYS 117 -5.536 7.765 -15.051 458 2HD LYS 117 2HD LYS 117 -5.531 8.997 -13.784 459 1HE LYS 117 1HE LYS 117 -5.843 10.821 -15.499 460 2HE LYS 117 2HE LYS 117 -5.844 9.616 -16.795 461 1HZ LYS 117 1HZ LYS 117 -7.821 8.608 -15.772 462 2HZ LYS 117 2HZ LYS 117 -7.819 9.737 -14.565 463 3HZ LYS 117 3HZ LYS 117 -8.090 10.199 -16.128 464 H TYR 118 H TYR 118 -3.365 6.898 -10.623 465 HA TYR 118 HA TYR 118 -0.640 6.818 -9.505 466 1HB TYR 118 1HB TYR 118 -3.149 5.224 -8.635 467 2HB TYR 118 2HB TYR 118 -1.693 5.398 -7.710 468 HD1 TYR 118 HD2 TYR 118 -1.068 7.693 -6.711 469 HD2 TYR 118 HD1 TYR 118 -4.861 6.984 -8.623 470 HE1 TYR 118 HE2 TYR 118 -2.018 9.656 -5.589 471 HE2 TYR 118 HE1 TYR 118 -5.784 8.964 -7.508 472 HH TYR 118 HH TYR 118 -5.401 10.639 -6.105 473 H PHE 119 H PHE 119 0.893 5.363 -10.059 474 HA PHE 119 HA PHE 119 0.117 2.481 -10.700 475 1HB PHE 119 1HB PHE 119 1.748 2.132 -12.380 476 2HB PHE 119 2HB PHE 119 0.595 3.305 -12.872 477 HD1 PHE 119 HD1 PHE 119 1.246 5.798 -13.046 478 HD2 PHE 119 HD2 PHE 119 4.132 2.659 -12.445 479 HE1 PHE 119 HE1 PHE 119 3.029 7.252 -13.916 480 HE2 PHE 119 HE2 PHE 119 5.895 4.129 -13.329 481 HZ PHE 119 HZ PHE 119 5.351 6.429 -14.054 482 H LEU 120 H LEU 120 0.965 1.218 -9.308 483 HA LEU 120 HA LEU 120 3.520 1.856 -7.768 484 1HB LEU 120 1HB LEU 120 1.397 1.069 -6.608 485 2HB LEU 120 2HB LEU 120 1.563 -0.490 -7.374 486 HG LEU 120 HG LEU 120 3.552 0.800 -5.394 487 1HD1 LEU 120 3HD1 LEU 120 1.390 0.178 -4.322 488 2HD1 LEU 120 1HD1 LEU 120 1.497 -1.470 -4.980 489 3HD1 LEU 120 2HD1 LEU 120 2.675 -0.906 -3.771 490 1HD2 LEU 120 2HD2 LEU 120 3.643 -2.001 -6.697 491 2HD2 LEU 120 3HD2 LEU 120 4.901 -0.741 -6.730 492 3HD2 LEU 120 1HD2 LEU 120 4.545 -1.584 -5.223 493 H TRP 121 H TRP 121 2.168 -1.021 -9.442 494 HA TRP 121 HA TRP 121 4.866 -2.179 -9.883 495 1HB TRP 121 1HB TRP 121 2.843 -3.420 -9.108 496 2HB TRP 121 2HB TRP 121 2.043 -3.130 -10.632 497 HD1 TRP 121 HD1 TRP 121 5.478 -4.808 -9.519 498 HE1 TRP 121 HE1 TRP 121 5.488 -7.343 -10.238 499 HE3 TRP 121 HE3 TRP 121 1.091 -4.677 -12.128 500 HZ2 TRP 121 HZ2 TRP 121 3.558 -8.989 -11.621 501 HZ3 TRP 121 HZ3 TRP 121 0.258 -6.768 -13.153 502 HH2 TRP 121 HH2 TRP 121 1.463 -8.880 -12.882 503 H VAL 122 H VAL 122 2.220 -1.476 -12.265 504 HA VAL 122 HA VAL 122 4.200 -0.376 -14.210 505 HB VAL 122 HB VAL 122 4.503 -2.753 -14.578 506 1HG1 VAL 122 2HG2 VAL 122 2.239 -3.698 -14.074 507 2HG1 VAL 122 3HG2 VAL 122 1.661 -3.114 -15.648 508 3HG1 VAL 122 1HG2 VAL 122 2.963 -4.317 -15.569 509 1HG2 VAL 122 2HG1 VAL 122 4.887 -1.167 -16.462 510 2HG2 VAL 122 3HG1 VAL 122 4.402 -2.771 -17.045 511 3HG2 VAL 122 1HG1 VAL 122 3.225 -1.435 -17.041 512 H VAL 123 H VAL 123 0.902 -1.684 -14.499 513 HA VAL 123 HA VAL 123 0.042 0.538 -16.138 514 HB VAL 123 HB VAL 123 -2.259 -0.533 -15.928 515 1HG1 VAL 123 2HG1 VAL 123 -0.767 -0.984 -17.842 516 2HG1 VAL 123 3HG1 VAL 123 -0.018 -2.342 -16.972 517 3HG1 VAL 123 1HG1 VAL 123 -1.736 -2.412 -17.431 518 1HG2 VAL 123 3HG2 VAL 123 -2.025 -1.731 -13.718 519 2HG2 VAL 123 1HG2 VAL 123 -2.589 -2.776 -15.036 520 3HG2 VAL 123 2HG2 VAL 123 -0.901 -2.873 -14.478 521 H LYS 124 H LYS 124 -1.293 2.183 -15.855 522 HA LYS 124 HA LYS 124 -1.518 3.263 -13.045 523 1HB LYS 124 1HB LYS 124 -1.568 5.469 -13.974 524 2HB LYS 124 2HB LYS 124 -0.226 4.563 -14.623 525 1HG LYS 124 1HG LYS 124 -1.587 4.197 -16.793 526 2HG LYS 124 2HG LYS 124 -2.847 5.210 -16.104 527 1HD LYS 124 1HD LYS 124 -1.569 6.634 -17.538 528 2HD LYS 124 2HD LYS 124 -1.213 7.121 -15.896 529 1HE LYS 124 1HE LYS 124 0.848 7.193 -17.193 530 2HE LYS 124 2HE LYS 124 1.021 5.926 -15.987 531 1HZ LYS 124 3HZ LYS 124 0.350 5.498 -18.864 532 2HZ LYS 124 1HZ LYS 124 1.815 5.216 -18.155 533 3HZ LYS 124 2HZ LYS 124 0.508 4.291 -17.747 534 H PHE 125 H PHE 125 -3.212 4.535 -12.356 535 HA PHE 125 HA PHE 125 -6.011 3.692 -13.282 536 1HB PHE 125 1HB PHE 125 -4.959 3.228 -10.403 537 2HB PHE 125 2HB PHE 125 -6.604 3.008 -10.926 538 HD1 PHE 125 HD2 PHE 125 -7.184 1.144 -12.622 539 HD2 PHE 125 HD1 PHE 125 -3.289 1.493 -10.837 540 HE1 PHE 125 HE2 PHE 125 -6.626 -1.137 -13.362 541 HE2 PHE 125 HE1 PHE 125 -2.756 -0.793 -11.553 542 HZ PHE 125 HZ PHE 125 -4.409 -2.096 -12.863 543 H ASN 126 H ASN 126 -7.428 5.276 -13.042 544 HA ASN 126 HA ASN 126 -6.804 7.934 -12.257 545 1HB ASN 126 1HB ASN 126 -9.134 8.523 -12.450 546 2HB ASN 126 2HB ASN 126 -8.661 7.450 -13.731 547 1HD2 ASN 126 1HD2 ASN 126 -11.802 6.333 -11.404 548 2HD2 ASN 126 2HD2 ASN 126 -10.902 7.917 -11.183 549 H SER 127 H SER 127 -8.259 5.538 -10.067 550 HA SER 127 HA SER 127 -7.770 7.489 -7.751 551 1HB SER 127 1HB SER 127 -9.739 6.630 -6.594 552 2HB SER 127 2HB SER 127 -10.212 7.231 -8.178 553 HG SER 127 HG SER 127 -11.131 5.225 -7.668 554 H LEU 128 H LEU 128 -7.311 6.594 -5.758 555 HA LEU 128 HA LEU 128 -5.434 4.318 -5.647 556 1HB LEU 128 1HB LEU 128 -6.849 5.841 -3.389 557 2HB LEU 128 2HB LEU 128 -5.653 4.603 -3.088 558 HG LEU 128 HG LEU 128 -5.011 7.119 -4.735 559 1HD1 LEU 128 3HD2 LEU 128 -5.733 7.767 -2.431 560 2HD1 LEU 128 1HD2 LEU 128 -4.520 6.669 -1.723 561 3HD1 LEU 128 2HD2 LEU 128 -4.011 8.073 -2.696 562 1HD2 LEU 128 1HD1 LEU 128 -3.139 5.059 -3.375 563 2HD2 LEU 128 2HD1 LEU 128 -3.380 5.257 -5.128 564 3HD2 LEU 128 3HD1 LEU 128 -2.617 6.552 -4.192 565 H ASN 129 H ASN 129 -8.944 4.472 -5.024 566 HA ASN 129 HA ASN 129 -9.151 1.739 -3.938 567 1HB ASN 129 1HB ASN 129 -10.870 3.545 -3.600 568 2HB ASN 129 2HB ASN 129 -11.358 3.392 -5.276 569 1HD2 ASN 129 1HD2 ASN 129 -13.320 0.430 -4.548 570 2HD2 ASN 129 2HD2 ASN 129 -12.617 1.554 -5.819 571 H GLU 130 H GLU 130 -9.203 2.982 -7.297 572 HA GLU 130 HA GLU 130 -9.769 0.376 -8.592 573 1HB GLU 130 1HB GLU 130 -8.432 2.925 -9.657 574 2HB GLU 130 2HB GLU 130 -8.663 1.505 -10.653 575 1HG GLU 130 1HG GLU 130 -10.966 3.066 -9.318 576 2HG GLU 130 2HG GLU 130 -10.394 3.316 -10.956 577 H LEU 131 H LEU 131 -6.645 2.048 -7.886 578 HA LEU 131 HA LEU 131 -4.910 -0.174 -8.676 579 1HB LEU 131 1HB LEU 131 -4.105 2.148 -8.397 580 2HB LEU 131 2HB LEU 131 -4.476 2.113 -6.684 581 HG LEU 131 HG LEU 131 -2.692 0.385 -6.306 582 1HD1 LEU 131 1HD1 LEU 131 -2.583 -0.685 -8.607 583 2HD1 LEU 131 2HD1 LEU 131 -1.848 0.807 -9.250 584 3HD1 LEU 131 3HD1 LEU 131 -0.997 -0.153 -8.024 585 1HD2 LEU 131 3HD2 LEU 131 -2.225 2.830 -6.025 586 2HD2 LEU 131 1HD2 LEU 131 -0.782 1.944 -6.550 587 3HD2 LEU 131 2HD2 LEU 131 -1.688 2.933 -7.721 588 H VAL 132 H VAL 132 -6.515 0.432 -5.513 589 HA VAL 132 HA VAL 132 -5.044 -1.681 -4.140 590 HB VAL 132 HB VAL 132 -6.330 0.397 -3.121 591 1HG1 VAL 132 2HG1 VAL 132 -8.717 -0.387 -3.665 592 2HG1 VAL 132 3HG1 VAL 132 -8.495 -1.710 -2.514 593 3HG1 VAL 132 1HG1 VAL 132 -8.421 -0.025 -1.958 594 1HG2 VAL 132 3HG2 VAL 132 -4.809 -1.091 -1.879 595 2HG2 VAL 132 1HG2 VAL 132 -6.202 -0.573 -0.916 596 3HG2 VAL 132 2HG2 VAL 132 -6.148 -2.232 -1.579 597 H ASP 133 H ASP 133 -8.412 -1.736 -5.375 598 HA ASP 133 HA ASP 133 -8.877 -4.590 -4.986 599 1HB ASP 133 1HB ASP 133 -10.157 -2.642 -7.003 600 2HB ASP 133 2HB ASP 133 -10.675 -4.304 -6.807 601 H TYR 134 H TYR 134 -7.278 -2.949 -7.739 602 HA TYR 134 HA TYR 134 -6.916 -5.288 -9.427 603 1HB TYR 134 1HB TYR 134 -6.450 -3.022 -10.232 604 2HB TYR 134 2HB TYR 134 -5.200 -2.768 -9.047 605 HD1 TYR 134 HD2 TYR 134 -6.070 -4.995 -11.987 606 HD2 TYR 134 HD1 TYR 134 -2.914 -3.293 -9.604 607 HE1 TYR 134 HE2 TYR 134 -4.403 -5.831 -13.581 608 HE2 TYR 134 HE1 TYR 134 -1.260 -4.123 -11.211 609 HH TYR 134 HH TYR 134 -0.931 -5.183 -13.145 610 H HIS 135 H HIS 135 -4.624 -4.043 -6.889 611 HA HIS 135 HA HIS 135 -3.080 -6.580 -7.039 612 1HB HIS 135 1HB HIS 135 -2.665 -4.131 -5.234 613 2HB HIS 135 2HB HIS 135 -1.688 -5.577 -5.110 614 HD2 HIS 135 HD2 HIS 135 -0.964 -2.427 -6.333 615 HE1 HIS 135 HE1 HIS 135 0.630 -4.784 -9.362 616 HE2 HIS 135 HE2 HIS 135 0.704 -2.399 -8.392 617 H ARG 136 H ARG 136 -5.888 -6.005 -5.246 618 HA ARG 136 HA ARG 136 -5.384 -7.964 -3.078 619 1HB ARG 136 1HB ARG 136 -8.008 -7.197 -4.500 620 2HB ARG 136 2HB ARG 136 -7.932 -8.351 -3.178 621 1HG ARG 136 1HG ARG 136 -6.979 -6.624 -1.639 622 2HG ARG 136 2HG ARG 136 -7.007 -5.434 -2.927 623 1HD ARG 136 1HD ARG 136 -9.559 -5.776 -3.101 624 2HD ARG 136 2HD ARG 136 -9.481 -6.834 -1.703 625 HE ARG 136 HE ARG 136 -9.264 -3.841 -1.738 626 1HH1 ARG 136 2HH2 ARG 136 -8.584 -6.712 0.249 627 2HH1 ARG 136 1HH2 ARG 136 -8.707 -5.697 1.773 628 1HH2 ARG 136 1HH1 ARG 136 -9.383 -2.792 0.053 629 2HH2 ARG 136 2HH1 ARG 136 -9.128 -3.628 1.667 630 H SER 137 H SER 137 -5.984 -8.371 -6.505 631 HA SER 137 HA SER 137 -6.059 -11.385 -6.261 632 1HB SER 137 1HB SER 137 -6.958 -9.671 -8.652 633 2HB SER 137 2HB SER 137 -6.847 -11.433 -8.652 634 HG SER 137 HG SER 137 -8.419 -9.870 -6.887 635 H THR 138 H THR 138 -4.394 -8.666 -7.935 636 HA THR 138 HA THR 138 -2.332 -10.571 -9.089 637 HB THR 138 HB THR 138 -2.684 -7.513 -9.459 638 HG1 THR 138 HG1 THR 138 -4.349 -8.815 -10.284 639 1HG2 THR 138 3HG2 THR 138 -0.864 -9.456 -11.043 640 2HG2 THR 138 1HG2 THR 138 -1.289 -7.807 -11.556 641 3HG2 THR 138 2HG2 THR 138 -0.342 -8.052 -10.085 642 H SER 139 H SER 139 -0.128 -10.317 -8.792 643 HA SER 139 HA SER 139 0.717 -9.791 -6.001 644 1HB SER 139 1HB SER 139 1.604 -11.696 -7.314 645 2HB SER 139 2HB SER 139 2.375 -10.594 -8.472 646 HG SER 139 HG SER 139 2.838 -10.718 -5.680 647 H VAL 140 H VAL 140 1.714 -8.104 -5.187 648 HA VAL 140 HA VAL 140 2.183 -5.554 -6.652 649 HB VAL 140 HB VAL 140 3.066 -6.265 -3.806 650 1HG1 VAL 140 1HG1 VAL 140 2.772 -3.504 -5.121 651 2HG1 VAL 140 2HG1 VAL 140 3.107 -3.782 -3.396 652 3HG1 VAL 140 3HG1 VAL 140 4.300 -4.260 -4.609 653 1HG2 VAL 140 2HG2 VAL 140 0.545 -6.399 -3.987 654 2HG2 VAL 140 3HG2 VAL 140 1.087 -5.064 -2.963 655 3HG2 VAL 140 1HG2 VAL 140 0.515 -4.733 -4.617 656 H SER 141 H SER 141 4.380 -8.041 -5.243 657 HA SER 141 HA SER 141 6.706 -6.872 -6.883 658 1HB SER 141 1HB SER 141 6.774 -8.021 -4.012 659 2HB SER 141 2HB SER 141 8.209 -7.701 -4.964 660 HG SER 141 HG SER 141 7.644 -5.966 -3.658 661 H ARG 142 H ARG 142 8.243 -8.329 -7.627 662 HA ARG 142 HA ARG 142 7.086 -10.906 -8.569 663 1HB ARG 142 1HB ARG 142 9.783 -9.575 -9.171 664 2HB ARG 142 2HB ARG 142 9.299 -11.125 -9.845 665 1HG ARG 142 1HG ARG 142 7.284 -10.143 -10.913 666 2HG ARG 142 2HG ARG 142 7.615 -8.571 -10.193 667 1HD ARG 142 1HD ARG 142 9.800 -8.425 -11.501 668 2HD ARG 142 2HD ARG 142 9.448 -9.988 -12.226 669 HE ARG 142 HE ARG 142 7.756 -9.014 -13.639 670 1HH1 ARG 142 2HH2 ARG 142 8.811 -6.577 -11.271 671 2HH1 ARG 142 1HH2 ARG 142 7.898 -5.276 -12.187 672 1HH2 ARG 142 1HH1 ARG 142 6.756 -7.454 -14.595 673 2HH2 ARG 142 2HH1 ARG 142 6.815 -5.741 -13.940 674 H ASN 143 H ASN 143 9.768 -10.200 -6.281 675 HA ASN 143 HA ASN 143 10.331 -13.114 -5.846 676 1HB ASN 143 1HB ASN 143 11.326 -10.671 -4.272 677 2HB ASN 143 2HB ASN 143 11.757 -12.319 -3.889 678 1HD2 ASN 143 1HD2 ASN 143 14.122 -12.605 -6.615 679 2HD2 ASN 143 2HD2 ASN 143 13.075 -13.521 -5.418 680 H GLN 144 H GLN 144 9.123 -10.645 -3.488 681 HA GLN 144 HA GLN 144 7.551 -12.743 -1.975 682 1HB GLN 144 1HB GLN 144 7.763 -9.685 -1.632 683 2HB GLN 144 2HB GLN 144 6.686 -10.666 -0.669 684 1HG GLN 144 1HG GLN 144 9.750 -11.051 -0.722 685 2HG GLN 144 2HG GLN 144 8.889 -10.043 0.416 686 1HE2 GLN 144 2HE2 GLN 144 8.917 -14.070 1.120 687 2HE2 GLN 144 1HE2 GLN 144 9.653 -13.340 -0.394 688 H GLN 145 H GLN 145 5.523 -13.274 -2.517 689 HA GLN 145 HA GLN 145 4.089 -11.728 -4.693 690 1HB GLN 145 1HB GLN 145 2.724 -13.620 -5.112 691 2HB GLN 145 2HB GLN 145 4.415 -13.994 -5.251 692 1HG GLN 145 1HG GLN 145 2.584 -14.876 -2.918 693 2HG GLN 145 2HG GLN 145 3.004 -15.833 -4.309 694 1HE2 GLN 145 2HE2 GLN 145 5.516 -16.073 -1.202 695 2HE2 GLN 145 1HE2 GLN 145 3.839 -15.328 -1.148 696 H ILE 146 H ILE 146 3.395 -9.958 -3.512 697 HA ILE 146 HA ILE 146 1.921 -10.324 -0.995 698 HB ILE 146 HB ILE 146 2.272 -7.630 -2.304 699 1HG1 ILE 146 1HG1 ILE 146 4.091 -7.577 -0.220 700 2HG1 ILE 146 2HG1 ILE 146 4.173 -9.299 -0.572 701 1HG2 ILE 146 2HG2 ILE 146 0.485 -7.639 -0.583 702 2HG2 ILE 146 3HG2 ILE 146 1.580 -8.390 0.597 703 3HG2 ILE 146 1HG2 ILE 146 1.903 -6.752 -0.020 704 1HD1 ILE 146 1HD1 ILE 146 4.632 -8.618 -3.035 705 2HD1 ILE 146 2HD1 ILE 146 4.756 -6.951 -2.447 706 3HD1 ILE 146 3HD1 ILE 146 5.884 -8.196 -1.831 707 H PHE 147 H PHE 147 -0.192 -10.638 -0.828 708 HA PHE 147 HA PHE 147 -2.154 -9.594 -2.958 709 1HB PHE 147 1HB PHE 147 -2.470 -12.236 -1.422 710 2HB PHE 147 2HB PHE 147 -3.631 -11.532 -2.521 711 HD1 PHE 147 HD2 PHE 147 -2.812 -11.045 -5.022 712 HD2 PHE 147 HD1 PHE 147 -0.757 -13.707 -2.332 713 HE1 PHE 147 HE2 PHE 147 -1.622 -12.080 -6.922 714 HE2 PHE 147 HE1 PHE 147 0.404 -14.721 -4.257 715 HZ PHE 147 HZ PHE 147 -0.017 -13.904 -6.536 716 H LEU 148 H LEU 148 -3.256 -8.054 -2.138 717 HA LEU 148 HA LEU 148 -3.011 -7.197 0.600 718 1HB LEU 148 1HB LEU 148 -4.617 -6.139 -1.788 719 2HB LEU 148 2HB LEU 148 -4.848 -5.439 -0.216 720 HG LEU 148 HG LEU 148 -2.434 -4.854 -0.017 721 1HD1 LEU 148 3HD1 LEU 148 -2.187 -5.893 -2.913 722 2HD1 LEU 148 1HD1 LEU 148 -0.997 -4.842 -2.109 723 3HD1 LEU 148 2HD1 LEU 148 -1.289 -6.472 -1.492 724 1HD2 LEU 148 2HD2 LEU 148 -3.870 -3.766 -2.531 725 2HD2 LEU 148 3HD2 LEU 148 -4.066 -3.193 -0.856 726 3HD2 LEU 148 1HD2 LEU 148 -2.520 -2.968 -1.685 727 H ARG 149 H ARG 149 -4.168 -7.267 2.306 728 HA ARG 149 HA ARG 149 -7.050 -8.299 2.373 729 1HB ARG 149 1HB ARG 149 -4.850 -9.063 4.407 730 2HB ARG 149 2HB ARG 149 -6.513 -9.603 4.435 731 1HG ARG 149 1HG ARG 149 -4.410 -10.376 2.331 732 2HG ARG 149 2HG ARG 149 -4.904 -11.346 3.705 733 1HD ARG 149 1HD ARG 149 -7.200 -11.609 2.785 734 2HD ARG 149 2HD ARG 149 -6.854 -10.514 1.456 735 HE ARG 149 HE ARG 149 -5.543 -13.273 1.869 736 1HH1 ARG 149 2HH2 ARG 149 -6.398 -10.656 -0.386 737 2HH1 ARG 149 1HH2 ARG 149 -5.819 -11.676 -1.798 738 1HH2 ARG 149 1HH1 ARG 149 -4.919 -14.332 0.195 739 2HH2 ARG 149 2HH1 ARG 149 -5.040 -13.613 -1.488 740 H ASP 150 H ASP 150 -8.160 -7.714 4.373 741 HA ASP 150 HA ASP 150 -7.622 -4.893 5.173 742 1HB ASP 150 1HB ASP 150 -9.746 -4.911 6.324 743 2HB ASP 150 2HB ASP 150 -9.936 -5.606 4.739 744 H ILE 151 H ILE 151 -7.589 -4.109 7.322 745 HA ILE 151 HA ILE 151 -5.504 -5.477 8.927 746 HB ILE 151 HB ILE 151 -5.529 -3.423 10.394 747 1HG1 ILE 151 1HG1 ILE 151 -6.509 -1.295 9.486 748 2HG1 ILE 151 2HG1 ILE 151 -7.500 -2.206 8.364 749 1HG2 ILE 151 2HG2 ILE 151 -3.918 -3.714 8.563 750 2HG2 ILE 151 3HG2 ILE 151 -5.049 -2.980 7.409 751 3HG2 ILE 151 1HG2 ILE 151 -4.357 -2.007 8.733 752 1HD1 ILE 151 3HD1 ILE 151 -7.666 -2.449 11.453 753 2HD1 ILE 151 1HD1 ILE 151 -8.721 -1.426 10.446 754 3HD1 ILE 151 2HD1 ILE 151 -8.791 -3.190 10.281 755 H GLU 152 H GLU 152 -5.496 -5.560 11.238 756 HA GLU 152 HA GLU 152 -7.934 -7.076 12.277 757 1HB GLU 152 1HB GLU 152 -5.705 -8.208 12.299 758 2HB GLU 152 2HB GLU 152 -5.044 -6.956 13.340 759 1HG GLU 152 1HG GLU 152 -6.643 -7.596 15.173 760 2HG GLU 152 2HG GLU 152 -7.415 -8.774 14.114 761 HXT GLU 152 HO OH 153 -9.228 -5.893 13.178 No H/Q in entry = 761 Start of MODEL 17 1 1H GLY 58 1H GLY 58 -14.550 0.154 3.641 2 2H GLY 58 2H GLY 58 -15.037 -1.407 3.644 3 1HA GLY 58 1HA GLY 58 -12.799 -2.217 4.036 4 2HA GLY 58 2HA GLY 58 -12.926 -1.260 2.563 5 H SER 59 H SER 59 -11.494 -1.466 5.661 6 HA SER 59 HA SER 59 -10.479 1.363 5.802 7 1HB SER 59 1HB SER 59 -9.865 -1.091 7.559 8 2HB SER 59 2HB SER 59 -9.214 0.529 7.825 9 HG SER 59 HG SER 59 -11.959 -0.162 7.700 10 H TRP 60 H TRP 60 -9.105 1.828 4.186 11 HA TRP 60 HA TRP 60 -6.606 0.156 3.760 12 1HB TRP 60 1HB TRP 60 -6.961 0.264 1.305 13 2HB TRP 60 2HB TRP 60 -8.061 -0.748 2.187 14 HD1 TRP 60 HD1 TRP 60 -8.240 3.032 1.014 15 HE1 TRP 60 HE1 TRP 60 -10.245 3.375 -0.673 16 HE3 TRP 60 HE3 TRP 60 -10.045 -1.714 1.332 17 HZ2 TRP 60 HZ2 TRP 60 -12.170 1.584 -1.758 18 HZ3 TRP 60 HZ3 TRP 60 -11.938 -2.371 -0.105 19 HH2 TRP 60 HH2 TRP 60 -12.987 -0.751 -1.634 20 H PHE 61 H PHE 61 -7.921 3.417 3.557 21 HA PHE 61 HA PHE 61 -5.081 4.432 2.958 22 1HB PHE 61 1HB PHE 61 -6.612 4.953 1.088 23 2HB PHE 61 2HB PHE 61 -7.781 5.682 2.158 24 HD1 PHE 61 HD1 PHE 61 -4.139 6.037 1.126 25 HD2 PHE 61 HD2 PHE 61 -7.662 8.066 2.525 26 HE1 PHE 61 HE1 PHE 61 -2.946 8.178 1.042 27 HE2 PHE 61 HE2 PHE 61 -6.473 10.213 2.368 28 HZ PHE 61 HZ PHE 61 -4.112 10.276 1.640 29 H PHE 62 H PHE 62 -4.210 5.413 4.619 30 HA PHE 62 HA PHE 62 -5.959 6.609 6.869 31 1HB PHE 62 1HB PHE 62 -3.430 4.934 7.157 32 2HB PHE 62 2HB PHE 62 -4.018 5.969 8.414 33 HD1 PHE 62 HD2 PHE 62 -5.214 3.042 6.272 34 HD2 PHE 62 HD1 PHE 62 -5.654 5.217 9.966 35 HE1 PHE 62 HE2 PHE 62 -6.694 1.291 7.137 36 HE2 PHE 62 HE1 PHE 62 -7.141 3.452 10.808 37 HZ PHE 62 HZ PHE 62 -7.663 1.491 9.404 38 H GLY 63 H GLY 63 -5.718 8.385 5.240 39 1HA GLY 63 1HA GLY 63 -5.039 10.603 4.860 40 2HA GLY 63 2HA GLY 63 -4.686 10.568 6.563 41 H LYS 64 H LYS 64 -2.774 11.239 7.037 42 HA LYS 64 HA LYS 64 -0.369 11.126 5.138 43 1HB LYS 64 1HB LYS 64 -1.607 13.226 4.645 44 2HB LYS 64 2HB LYS 64 -1.685 13.646 6.343 45 1HG LYS 64 1HG LYS 64 -0.068 15.063 5.355 46 2HG LYS 64 2HG LYS 64 0.811 13.972 6.412 47 1HD LYS 64 1HD LYS 64 1.456 12.577 4.406 48 2HD LYS 64 2HD LYS 64 0.597 13.675 3.337 49 1HE LYS 64 1HE LYS 64 3.013 14.452 5.112 50 2HE LYS 64 2HE LYS 64 3.105 14.003 3.411 51 1HZ LYS 64 2HZ LYS 64 1.727 15.921 2.851 52 2HZ LYS 64 3HZ LYS 64 1.616 16.362 4.439 53 3HZ LYS 64 1HZ LYS 64 3.079 16.395 3.674 54 H ILE 65 H ILE 65 0.639 9.674 6.539 55 HA ILE 65 HA ILE 65 1.657 10.901 9.128 56 HB ILE 65 HB ILE 65 1.673 8.864 10.333 57 1HG1 ILE 65 1HG1 ILE 65 2.035 7.149 8.602 58 2HG1 ILE 65 2HG1 ILE 65 0.884 6.726 9.837 59 1HG2 ILE 65 1HG2 ILE 65 -0.349 10.245 10.549 60 2HG2 ILE 65 2HG2 ILE 65 -1.174 9.281 9.302 61 3HG2 ILE 65 3HG2 ILE 65 -0.697 8.522 10.841 62 1HD1 ILE 65 1HD1 ILE 65 0.066 7.617 6.993 63 2HD1 ILE 65 2HD1 ILE 65 0.189 5.945 7.578 64 3HD1 ILE 65 3HD1 ILE 65 -1.030 7.029 8.276 65 HA PRO 66 HA PRO 66 5.742 9.853 7.376 66 1HB PRO 66 1HB PRO 66 7.318 9.684 9.677 67 2HB PRO 66 2HB PRO 66 6.691 11.197 9.008 68 1HG PRO 66 1HG PRO 66 5.498 9.524 11.277 69 2HG PRO 66 2HG PRO 66 5.831 11.274 11.272 70 1HD PRO 66 1HD PRO 66 3.323 10.299 10.738 71 2HD PRO 66 2HD PRO 66 3.924 11.733 9.864 72 H ARG 67 H ARG 67 7.511 8.217 7.579 73 HA ARG 67 HA ARG 67 6.446 5.579 7.138 74 1HB ARG 67 1HB ARG 67 8.626 6.681 6.221 75 2HB ARG 67 2HB ARG 67 9.418 6.175 7.699 76 1HG ARG 67 1HG ARG 67 8.745 3.750 7.159 77 2HG ARG 67 2HG ARG 67 7.997 4.344 5.675 78 1HD ARG 67 1HD ARG 67 10.229 5.180 4.858 79 2HD ARG 67 2HD ARG 67 11.009 4.604 6.326 80 HE ARG 67 HE ARG 67 9.954 2.922 4.034 81 1HH1 ARG 67 2HH2 ARG 67 11.265 2.828 7.341 82 2HH1 ARG 67 1HH2 ARG 67 11.664 1.048 7.143 83 1HH2 ARG 67 1HH1 ARG 67 10.453 0.897 3.927 84 2HH2 ARG 67 2HH1 ARG 67 11.236 0.033 5.345 85 H ALA 68 H ALA 68 8.038 6.787 10.032 86 HA ALA 68 HA ALA 68 8.274 4.172 11.443 87 1HB ALA 68 2HB ALA 68 9.819 6.029 12.016 88 2HB ALA 68 3HB ALA 68 8.463 7.022 12.608 89 3HB ALA 68 1HB ALA 68 8.904 5.514 13.445 90 H LYS 69 H LYS 69 5.885 6.874 11.706 91 HA LYS 69 HA LYS 69 4.151 5.478 13.659 92 1HB LYS 69 1HB LYS 69 3.473 7.765 11.718 93 2HB LYS 69 2HB LYS 69 2.344 7.099 12.889 94 1HG LYS 69 1HG LYS 69 3.964 7.654 14.774 95 2HG LYS 69 2HG LYS 69 5.020 8.440 13.600 96 1HD LYS 69 1HD LYS 69 3.117 10.008 12.977 97 2HD LYS 69 2HD LYS 69 2.095 9.265 14.195 98 1HE LYS 69 1HE LYS 69 4.787 10.694 14.781 99 2HE LYS 69 2HE LYS 69 3.206 11.463 14.875 100 1HZ LYS 69 1HZ LYS 69 2.577 9.890 16.625 101 2HZ LYS 69 2HZ LYS 69 4.055 9.156 16.553 102 3HZ LYS 69 3HZ LYS 69 3.937 10.728 17.046 103 H ALA 70 H ALA 70 4.307 5.285 10.136 104 HA ALA 70 HA ALA 70 1.800 3.699 9.776 105 1HB ALA 70 3HB ALA 70 4.275 4.031 7.967 106 2HB ALA 70 1HB ALA 70 2.797 3.156 7.504 107 3HB ALA 70 2HB ALA 70 2.720 4.892 7.855 108 H GLU 71 H GLU 71 5.248 2.809 10.172 109 HA GLU 71 HA GLU 71 4.911 -0.110 10.185 110 1HB GLU 71 1HB GLU 71 7.095 1.661 11.439 111 2HB GLU 71 2HB GLU 71 7.165 -0.094 11.420 112 1HG GLU 71 1HG GLU 71 7.218 -0.172 8.947 113 2HG GLU 71 2HG GLU 71 6.962 1.559 8.833 114 H GLU 72 H GLU 72 4.919 2.231 12.923 115 HA GLU 72 HA GLU 72 4.526 0.346 15.088 116 1HB GLU 72 1HB GLU 72 3.657 3.283 14.802 117 2HB GLU 72 2HB GLU 72 3.444 2.381 16.291 118 1HG GLU 72 1HG GLU 72 5.850 2.051 16.605 119 2HG GLU 72 2HG GLU 72 6.229 2.704 15.021 120 H MET 73 H MET 73 2.006 1.969 13.104 121 HA MET 73 HA MET 73 -0.302 0.726 14.448 122 1HB MET 73 1HB MET 73 -0.034 1.932 11.635 123 2HB MET 73 2HB MET 73 -1.551 1.326 12.277 124 1HG MET 73 1HG MET 73 0.048 3.668 13.482 125 2HG MET 73 2HG MET 73 -1.411 3.775 12.498 126 1HE MET 73 1HE MET 73 0.070 2.666 16.031 127 2HE MET 73 3HE MET 73 -0.428 4.384 15.919 128 3HE MET 73 2HE MET 73 -1.309 3.263 17.000 129 H LEU 74 H LEU 74 1.438 -0.277 11.442 130 HA LEU 74 HA LEU 74 -0.144 -2.795 11.231 131 1HB LEU 74 1HB LEU 74 2.364 -1.865 9.739 132 2HB LEU 74 2HB LEU 74 1.574 -3.391 9.413 133 HG LEU 74 HG LEU 74 0.174 -0.674 9.130 134 1HD1 LEU 74 2HD1 LEU 74 1.994 -0.866 7.476 135 2HD1 LEU 74 3HD1 LEU 74 1.401 -2.466 6.944 136 3HD1 LEU 74 1HD1 LEU 74 0.422 -1.004 6.680 137 1HD2 LEU 74 2HD2 LEU 74 -0.763 -3.497 8.282 138 2HD2 LEU 74 3HD2 LEU 74 -1.523 -2.450 9.499 139 3HD2 LEU 74 1HD2 LEU 74 -1.558 -1.977 7.799 140 H SER 75 H SER 75 2.570 -2.137 13.236 141 HA SER 75 HA SER 75 3.605 -4.890 13.479 142 1HB SER 75 1HB SER 75 3.607 -2.605 15.550 143 2HB SER 75 2HB SER 75 4.442 -4.148 15.756 144 HG SER 75 HG SER 75 5.777 -2.556 14.902 145 H LYS 76 H LYS 76 0.860 -3.239 15.047 146 HA LYS 76 HA LYS 76 -0.002 -5.419 16.834 147 1HB LYS 76 1HB LYS 76 -1.641 -3.186 15.482 148 2HB LYS 76 2HB LYS 76 -2.271 -4.257 16.720 149 1HG LYS 76 1HG LYS 76 -0.654 -3.423 18.398 150 2HG LYS 76 2HG LYS 76 0.110 -2.363 17.225 151 1HD LYS 76 1HD LYS 76 -2.855 -2.156 18.060 152 2HD LYS 76 2HD LYS 76 -1.543 -1.260 18.816 153 1HE LYS 76 1HE LYS 76 -0.996 -0.127 16.618 154 2HE LYS 76 2HE LYS 76 -2.312 -1.004 15.825 155 1HZ LYS 76 2HZ LYS 76 -2.650 0.890 18.098 156 2HZ LYS 76 3HZ LYS 76 -3.016 1.193 16.516 157 3HZ LYS 76 1HZ LYS 76 -3.877 0.065 17.362 158 H GLN 77 H GLN 77 -0.652 -4.812 13.378 159 HA GLN 77 HA GLN 77 -2.751 -6.832 13.045 160 1HB GLN 77 1HB GLN 77 -1.008 -5.203 11.112 161 2HB GLN 77 2HB GLN 77 -1.861 -6.590 10.498 162 1HG GLN 77 1HG GLN 77 -3.195 -4.660 10.080 163 2HG GLN 77 2HG GLN 77 -4.027 -5.761 11.141 164 1HE2 GLN 77 2HE2 GLN 77 -3.674 -1.947 12.354 165 2HE2 GLN 77 1HE2 GLN 77 -3.227 -2.555 10.682 166 H ARG 78 H ARG 78 -2.477 -8.822 13.284 167 HA ARG 78 HA ARG 78 0.054 -10.380 12.893 168 1HB ARG 78 1HB ARG 78 -1.128 -12.281 13.751 169 2HB ARG 78 2HB ARG 78 -1.515 -10.898 14.742 170 1HG ARG 78 1HG ARG 78 -3.744 -10.687 13.425 171 2HG ARG 78 2HG ARG 78 -3.360 -12.189 12.615 172 1HD ARG 78 1HD ARG 78 -3.732 -11.840 15.661 173 2HD ARG 78 2HD ARG 78 -4.956 -12.428 14.533 174 HE ARG 78 HE ARG 78 -2.655 -14.168 14.217 175 1HH1 ARG 78 2HH2 ARG 78 -5.078 -13.421 16.712 176 2HH1 ARG 78 1HH2 ARG 78 -4.894 -15.107 17.414 177 1HH2 ARG 78 1HH1 ARG 78 -2.528 -16.058 15.100 178 2HH2 ARG 78 2HH1 ARG 78 -3.548 -16.496 16.561 179 H HIS 79 H HIS 79 -2.576 -9.667 10.742 180 HA HIS 79 HA HIS 79 -2.435 -12.202 9.212 181 1HB HIS 79 1HB HIS 79 -3.960 -9.613 8.520 182 2HB HIS 79 2HB HIS 79 -4.197 -11.174 7.782 183 HD2 HIS 79 HD2 HIS 79 -4.924 -13.256 9.782 184 HE1 HIS 79 HE1 HIS 79 -6.990 -10.519 12.137 185 HE2 HIS 79 HE2 HIS 79 -6.682 -13.047 11.762 186 H ASP 80 H ASP 80 -1.374 -12.628 7.404 187 HA ASP 80 HA ASP 80 0.538 -10.734 6.183 188 1HB ASP 80 1HB ASP 80 1.227 -12.449 4.655 189 2HB ASP 80 2HB ASP 80 1.182 -13.054 6.288 190 H GLY 81 H GLY 81 0.158 -9.315 4.700 191 1HA GLY 81 1HA GLY 81 -0.870 -8.552 2.515 192 2HA GLY 81 2HA GLY 81 -2.348 -9.400 2.913 193 H ALA 82 H ALA 82 -1.750 -8.127 5.854 194 HA ALA 82 HA ALA 82 -3.877 -6.145 5.552 195 1HB ALA 82 2HB ALA 82 -3.635 -7.439 7.638 196 2HB ALA 82 3HB ALA 82 -2.047 -6.702 7.975 197 3HB ALA 82 1HB ALA 82 -3.523 -5.710 7.998 198 H PHE 83 H PHE 83 -3.710 -4.081 4.957 199 HA PHE 83 HA PHE 83 -1.012 -2.632 5.143 200 1HB PHE 83 1HB PHE 83 -0.987 -2.107 2.857 201 2HB PHE 83 2HB PHE 83 -1.325 -3.785 2.936 202 HD1 PHE 83 HD1 PHE 83 -3.687 -4.627 2.337 203 HD2 PHE 83 HD2 PHE 83 -2.657 -0.481 1.964 204 HE1 PHE 83 HE1 PHE 83 -5.835 -4.187 1.211 205 HE2 PHE 83 HE2 PHE 83 -4.747 -0.073 0.741 206 HZ PHE 83 HZ PHE 83 -6.373 -1.919 0.433 207 H LEU 84 H LEU 84 -0.955 -0.484 4.812 208 HA LEU 84 HA LEU 84 -3.475 1.153 4.707 209 1HB LEU 84 1HB LEU 84 -2.966 2.705 6.444 210 2HB LEU 84 2HB LEU 84 -3.169 1.095 7.061 211 HG LEU 84 HG LEU 84 -0.430 1.099 7.000 212 1HD1 LEU 84 1HD2 LEU 84 -1.136 4.091 7.330 213 2HD1 LEU 84 2HD2 LEU 84 0.448 3.366 7.680 214 3HD1 LEU 84 3HD2 LEU 84 -0.154 3.407 6.020 215 1HD2 LEU 84 2HD1 LEU 84 -1.842 0.727 9.038 216 2HD2 LEU 84 3HD1 LEU 84 -0.453 1.773 9.387 217 3HD2 LEU 84 1HD1 LEU 84 -2.081 2.484 9.214 218 H ILE 85 H ILE 85 -3.262 2.572 3.134 219 HA ILE 85 HA ILE 85 -0.561 3.133 1.882 220 HB ILE 85 HB ILE 85 -3.384 3.918 0.998 221 1HG1 ILE 85 1HG1 ILE 85 -1.359 2.037 -0.374 222 2HG1 ILE 85 2HG1 ILE 85 -2.553 1.456 0.767 223 1HG2 ILE 85 3HG2 ILE 85 -0.697 4.522 -0.427 224 2HG2 ILE 85 1HG2 ILE 85 -2.312 4.776 -1.135 225 3HG2 ILE 85 2HG2 ILE 85 -1.807 5.729 0.258 226 1HD1 ILE 85 3HD1 ILE 85 -4.426 2.301 -0.677 227 2HD1 ILE 85 1HD1 ILE 85 -3.223 2.796 -1.907 228 3HD1 ILE 85 2HD1 ILE 85 -3.394 1.080 -1.466 229 H ARG 86 H ARG 86 0.573 4.643 2.776 230 HA ARG 86 HA ARG 86 -0.599 7.058 4.217 231 1HB ARG 86 1HB ARG 86 1.650 7.569 4.992 232 2HB ARG 86 2HB ARG 86 1.170 5.953 5.457 233 1HG ARG 86 1HG ARG 86 2.626 4.932 3.751 234 2HG ARG 86 2HG ARG 86 3.060 6.484 3.071 235 1HD ARG 86 1HD ARG 86 3.596 5.978 6.054 236 2HD ARG 86 2HD ARG 86 4.612 5.177 4.885 237 HE ARG 86 HE ARG 86 4.492 8.149 5.446 238 1HH1 ARG 86 2HH2 ARG 86 5.923 5.609 3.407 239 2HH1 ARG 86 1HH2 ARG 86 7.320 6.722 2.988 240 1HH2 ARG 86 1HH1 ARG 86 6.122 9.317 4.905 241 2HH2 ARG 86 2HH1 ARG 86 7.423 8.678 3.780 242 H GLU 87 H GLU 87 -0.123 9.130 3.562 243 HA GLU 87 HA GLU 87 0.734 9.562 0.676 244 1HB GLU 87 1HB GLU 87 -1.292 10.740 1.535 245 2HB GLU 87 2HB GLU 87 -0.313 11.621 2.699 246 1HG GLU 87 1HG GLU 87 0.990 12.683 0.796 247 2HG GLU 87 2HG GLU 87 0.101 11.714 -0.375 248 H SER 88 H SER 88 2.748 10.102 0.224 249 HA SER 88 HA SER 88 4.833 9.636 2.124 250 1HB SER 88 1HB SER 88 5.177 10.923 -0.653 251 2HB SER 88 2HB SER 88 6.470 10.249 0.335 252 HG SER 88 HG SER 88 4.183 8.854 -0.592 253 H GLU 89 H GLU 89 6.052 10.818 3.359 254 HA GLU 89 HA GLU 89 5.253 13.464 4.176 255 1HB GLU 89 1HB GLU 89 6.349 11.544 5.551 256 2HB GLU 89 2HB GLU 89 7.890 12.091 4.930 257 1HG GLU 89 1HG GLU 89 7.574 13.016 7.150 258 2HG GLU 89 2HG GLU 89 7.500 14.360 6.023 259 H SER 90 H SER 90 8.310 12.548 2.521 260 HA SER 90 HA SER 90 9.181 15.322 2.019 261 1HB SER 90 1HB SER 90 10.881 14.369 0.527 262 2HB SER 90 2HB SER 90 10.828 13.509 2.060 263 HG SER 90 HG SER 90 9.544 11.912 1.025 264 H ALA 91 H ALA 91 7.178 13.073 0.030 265 HA ALA 91 HA ALA 91 6.872 15.313 -2.061 266 1HB ALA 91 3HB ALA 91 6.742 12.280 -2.504 267 2HB ALA 91 1HB ALA 91 6.441 13.544 -3.723 268 3HB ALA 91 2HB ALA 91 8.052 13.380 -2.999 269 HA PRO 92 HA PRO 92 2.633 14.727 -0.078 270 1HB PRO 92 1HB PRO 92 1.705 17.347 -0.305 271 2HB PRO 92 2HB PRO 92 2.784 16.780 0.979 272 1HG PRO 92 1HG PRO 92 3.563 18.235 -1.594 273 2HG PRO 92 2HG PRO 92 4.094 18.591 0.067 274 1HD PRO 92 1HD PRO 92 5.634 17.112 -1.689 275 2HD PRO 92 2HD PRO 92 5.652 16.759 0.066 276 H GLY 93 H GLY 93 0.886 14.075 -1.100 277 1HA GLY 93 1HA GLY 93 -0.778 13.968 -2.967 278 2HA GLY 93 2HA GLY 93 0.345 14.756 -4.057 279 H ASP 94 H ASP 94 2.653 13.101 -3.274 280 HA ASP 94 HA ASP 94 2.166 10.668 -5.010 281 1HB ASP 94 1HB ASP 94 4.684 11.830 -3.625 282 2HB ASP 94 2HB ASP 94 4.714 10.265 -4.379 283 H PHE 95 H PHE 95 1.796 8.702 -4.201 284 HA PHE 95 HA PHE 95 1.500 8.387 -1.202 285 1HB PHE 95 1HB PHE 95 0.299 6.769 -3.536 286 2HB PHE 95 2HB PHE 95 -0.029 6.486 -1.851 287 HD1 PHE 95 HD2 PHE 95 -1.024 8.519 -0.441 288 HD2 PHE 95 HD1 PHE 95 -1.108 8.334 -4.740 289 HE1 PHE 95 HE2 PHE 95 -2.770 10.254 -0.496 290 HE2 PHE 95 HE1 PHE 95 -2.874 10.048 -4.763 291 HZ PHE 95 HZ PHE 95 -3.708 11.007 -2.649 292 H SER 96 H SER 96 1.723 6.202 -0.322 293 HA SER 96 HA SER 96 3.802 4.391 -1.529 294 1HB SER 96 1HB SER 96 4.325 5.721 1.212 295 2HB SER 96 2HB SER 96 5.149 4.264 0.645 296 HG SER 96 HG SER 96 6.287 6.149 0.177 297 H LEU 97 H LEU 97 3.068 2.446 -1.296 298 HA LEU 97 HA LEU 97 0.793 1.672 0.522 299 1HB LEU 97 1HB LEU 97 0.860 0.905 -1.794 300 2HB LEU 97 2HB LEU 97 2.454 0.196 -1.588 301 HG LEU 97 HG LEU 97 1.377 -1.368 0.191 302 1HD1 LEU 97 3HD1 LEU 97 -1.243 -0.444 -1.136 303 2HD1 LEU 97 1HD1 LEU 97 -1.056 -1.850 -0.058 304 3HD1 LEU 97 2HD1 LEU 97 -0.766 -0.217 0.570 305 1HD2 LEU 97 3HD2 LEU 97 2.101 -2.094 -2.121 306 2HD2 LEU 97 1HD2 LEU 97 0.711 -3.001 -1.510 307 3HD2 LEU 97 2HD2 LEU 97 0.469 -1.719 -2.730 308 H SER 98 H SER 98 1.327 1.400 2.524 309 HA SER 98 HA SER 98 3.903 0.031 3.527 310 1HB SER 98 1HB SER 98 1.717 1.068 5.363 311 2HB SER 98 2HB SER 98 3.413 0.801 5.708 312 HG SER 98 HG SER 98 3.885 2.531 4.294 313 H VAL 99 H VAL 99 3.593 -2.184 3.236 314 HA VAL 99 HA VAL 99 0.899 -3.459 4.000 315 HB VAL 99 HB VAL 99 0.799 -3.293 1.675 316 1HG1 VAL 99 2HG1 VAL 99 3.138 -3.049 0.918 317 2HG1 VAL 99 3HG1 VAL 99 3.488 -4.748 1.317 318 3HG1 VAL 99 1HG1 VAL 99 2.335 -4.343 0.019 319 1HG2 VAL 99 1HG2 VAL 99 -0.008 -5.470 2.770 320 2HG2 VAL 99 2HG2 VAL 99 0.316 -5.586 1.028 321 3HG2 VAL 99 3HG2 VAL 99 1.475 -6.245 2.213 322 H LYS 100 H LYS 100 1.161 -4.753 5.549 323 HA LYS 100 HA LYS 100 3.801 -6.023 6.308 324 1HB LYS 100 1HB LYS 100 2.072 -5.009 7.972 325 2HB LYS 100 2HB LYS 100 1.127 -6.457 7.764 326 1HG LYS 100 1HG LYS 100 4.041 -6.269 8.792 327 2HG LYS 100 2HG LYS 100 2.619 -6.389 9.802 328 1HD LYS 100 1HD LYS 100 3.740 -8.590 7.969 329 2HD LYS 100 2HD LYS 100 3.841 -8.505 9.717 330 1HE LYS 100 1HE LYS 100 1.290 -8.674 9.872 331 2HE LYS 100 2HE LYS 100 1.218 -8.830 8.115 332 1HZ LYS 100 2HZ LYS 100 2.572 -10.845 8.289 333 2HZ LYS 100 3HZ LYS 100 2.642 -10.705 9.933 334 3HZ LYS 100 1HZ LYS 100 1.194 -10.984 9.189 335 H PHE 101 H PHE 101 4.373 -7.849 5.293 336 HA PHE 101 HA PHE 101 2.294 -10.029 4.813 337 1HB PHE 101 1HB PHE 101 2.798 -8.700 2.639 338 2HB PHE 101 2HB PHE 101 4.399 -9.385 2.661 339 HD1 PHE 101 HD1 PHE 101 4.639 -11.977 2.481 340 HD2 PHE 101 HD2 PHE 101 0.859 -10.001 1.936 341 HE1 PHE 101 HE1 PHE 101 3.713 -14.007 1.448 342 HE2 PHE 101 HE2 PHE 101 -0.054 -12.039 0.913 343 HZ PHE 101 HZ PHE 101 1.369 -14.046 0.665 344 H GLY 102 H GLY 102 2.912 -11.650 5.996 345 1HA GLY 102 1HA GLY 102 4.318 -13.521 6.649 346 2HA GLY 102 2HA GLY 102 5.738 -12.752 5.971 347 H ASN 103 H ASN 103 6.647 -10.969 7.172 348 HA ASN 103 HA ASN 103 5.731 -10.460 9.969 349 1HB ASN 103 1HB ASN 103 7.816 -10.828 11.126 350 2HB ASN 103 2HB ASN 103 7.311 -12.307 10.368 351 1HD2 ASN 103 1HD2 ASN 103 10.333 -12.533 8.375 352 2HD2 ASN 103 2HD2 ASN 103 8.638 -13.171 8.665 353 H ASP 104 H ASP 104 7.386 -9.308 7.253 354 HA ASP 104 HA ASP 104 8.366 -6.789 8.681 355 1HB ASP 104 1HB ASP 104 8.965 -7.725 5.802 356 2HB ASP 104 2HB ASP 104 9.590 -6.266 6.549 357 H VAL 105 H VAL 105 7.719 -4.804 8.164 358 HA VAL 105 HA VAL 105 5.179 -4.388 6.548 359 HB VAL 105 HB VAL 105 6.670 -2.336 8.253 360 1HG1 VAL 105 3HG2 VAL 105 5.283 -1.298 6.397 361 2HG1 VAL 105 1HG2 VAL 105 3.869 -2.212 6.927 362 3HG1 VAL 105 2HG2 VAL 105 4.567 -0.950 7.978 363 1HG2 VAL 105 2HG1 VAL 105 5.643 -4.089 9.741 364 2HG2 VAL 105 3HG1 VAL 105 4.801 -2.540 9.901 365 3HG2 VAL 105 1HG1 VAL 105 4.067 -3.852 8.949 366 H GLN 106 H GLN 106 5.555 -4.244 4.498 367 HA GLN 106 HA GLN 106 8.229 -3.316 3.379 368 1HB GLN 106 1HB GLN 106 5.988 -5.057 2.192 369 2HB GLN 106 2HB GLN 106 7.365 -4.482 1.263 370 1HG GLN 106 1HG GLN 106 8.991 -5.612 2.669 371 2HG GLN 106 2HG GLN 106 7.779 -6.054 3.859 372 1HE2 GLN 106 2HE2 GLN 106 8.227 -8.522 0.646 373 2HE2 GLN 106 1HE2 GLN 106 9.254 -7.025 0.911 374 H HIS 107 H HIS 107 8.297 -1.333 2.785 375 HA HIS 107 HA HIS 107 5.854 0.264 2.002 376 1HB HIS 107 1HB HIS 107 8.716 0.959 2.889 377 2HB HIS 107 2HB HIS 107 7.729 2.129 2.097 378 HD2 HIS 107 HD2 HIS 107 7.260 -0.295 5.174 379 HE1 HIS 107 HE1 HIS 107 5.153 3.136 6.030 380 HE2 HIS 107 HE2 HIS 107 5.897 0.939 7.065 381 H PHE 108 H PHE 108 5.402 -0.141 -0.077 382 HA PHE 108 HA PHE 108 7.573 -0.034 -2.246 383 1HB PHE 108 1HB PHE 108 4.706 -1.028 -2.604 384 2HB PHE 108 2HB PHE 108 6.015 -1.131 -3.750 385 HD1 PHE 108 HD2 PHE 108 8.250 -2.461 -2.800 386 HD2 PHE 108 HD1 PHE 108 4.199 -3.086 -1.490 387 HE1 PHE 108 HE2 PHE 108 8.818 -4.749 -2.093 388 HE2 PHE 108 HE1 PHE 108 4.784 -5.377 -0.812 389 HZ PHE 108 HZ PHE 108 7.084 -6.214 -1.116 390 H LYS 109 H LYS 109 7.637 1.757 -3.410 391 HA LYS 109 HA LYS 109 5.860 4.015 -2.713 392 1HB LYS 109 1HB LYS 109 8.191 3.989 -4.711 393 2HB LYS 109 2HB LYS 109 7.209 5.393 -4.335 394 1HG LYS 109 1HG LYS 109 7.831 5.021 -1.810 395 2HG LYS 109 2HG LYS 109 9.013 3.861 -2.391 396 1HD LYS 109 1HD LYS 109 10.218 5.881 -2.096 397 2HD LYS 109 2HD LYS 109 10.048 5.725 -3.841 398 1HE LYS 109 1HE LYS 109 8.108 7.404 -3.779 399 2HE LYS 109 2HE LYS 109 8.271 7.515 -2.022 400 1HZ LYS 109 2HZ LYS 109 10.537 8.363 -2.349 401 2HZ LYS 109 3HZ LYS 109 10.384 8.254 -3.991 402 3HZ LYS 109 1HZ LYS 109 9.437 9.308 -3.141 403 H VAL 110 H VAL 110 4.109 4.600 -3.592 404 HA VAL 110 HA VAL 110 3.136 3.643 -6.319 405 HB VAL 110 HB VAL 110 1.687 5.091 -4.022 406 1HG1 VAL 110 3HG2 VAL 110 0.518 3.966 -6.644 407 2HG1 VAL 110 1HG2 VAL 110 -0.454 4.472 -5.234 408 3HG1 VAL 110 2HG2 VAL 110 0.537 5.660 -6.079 409 1HG2 VAL 110 3HG1 VAL 110 2.243 2.723 -3.380 410 2HG2 VAL 110 1HG1 VAL 110 0.501 2.985 -3.538 411 3HG2 VAL 110 2HG1 VAL 110 1.391 2.138 -4.822 412 H LEU 111 H LEU 111 4.291 4.884 -7.732 413 HA LEU 111 HA LEU 111 4.962 7.748 -7.175 414 1HB LEU 111 1HB LEU 111 5.649 5.993 -9.606 415 2HB LEU 111 2HB LEU 111 6.355 7.559 -9.267 416 HG LEU 111 HG LEU 111 6.663 5.088 -7.464 417 1HD1 LEU 111 2HD1 LEU 111 7.753 4.727 -9.679 418 2HD1 LEU 111 3HD1 LEU 111 8.658 6.252 -9.516 419 3HD1 LEU 111 1HD1 LEU 111 8.975 4.896 -8.404 420 1HD2 LEU 111 2HD2 LEU 111 8.165 7.800 -7.363 421 2HD2 LEU 111 3HD2 LEU 111 6.996 7.205 -6.159 422 3HD2 LEU 111 1HD2 LEU 111 8.544 6.371 -6.368 423 H ARG 112 H ARG 112 4.161 9.537 -8.125 424 HA ARG 112 HA ARG 112 1.862 9.294 -10.060 425 1HB ARG 112 1HB ARG 112 2.975 11.684 -8.477 426 2HB ARG 112 2HB ARG 112 1.846 11.921 -9.796 427 1HG ARG 112 1HG ARG 112 0.149 10.443 -8.754 428 2HG ARG 112 2HG ARG 112 1.242 10.087 -7.418 429 1HD ARG 112 1HD ARG 112 -0.371 11.672 -6.673 430 2HD ARG 112 2HD ARG 112 1.194 12.467 -6.682 431 HE ARG 112 HE ARG 112 -1.171 12.998 -8.557 432 1HH1 ARG 112 2HH2 ARG 112 2.090 14.003 -7.543 433 2HH1 ARG 112 1HH2 ARG 112 1.865 15.616 -8.390 434 1HH2 ARG 112 1HH1 ARG 112 -1.311 14.858 -9.477 435 2HH2 ARG 112 2HH1 ARG 112 0.071 16.063 -9.408 436 H ASP 113 H ASP 113 1.715 10.061 -12.011 437 HA ASP 113 HA ASP 113 4.230 10.533 -13.600 438 1HB ASP 113 1HB ASP 113 2.862 10.263 -15.638 439 2HB ASP 113 2HB ASP 113 2.906 8.879 -14.585 440 H GLY 114 H GLY 114 1.095 12.349 -13.269 441 1HA GLY 114 1HA GLY 114 2.545 14.962 -13.636 442 2HA GLY 114 2HA GLY 114 1.663 14.456 -15.069 443 H ALA 115 H ALA 115 -0.659 14.274 -14.906 444 HA ALA 115 HA ALA 115 -1.794 16.581 -13.545 445 1HB ALA 115 2HB ALA 115 -2.577 15.864 -15.779 446 2HB ALA 115 3HB ALA 115 -3.272 14.371 -15.103 447 3HB ALA 115 1HB ALA 115 -3.942 15.953 -14.648 448 H GLY 116 H GLY 116 -2.930 13.195 -13.123 449 1HA GLY 116 1HA GLY 116 -2.828 13.415 -10.163 450 2HA GLY 116 2HA GLY 116 -4.492 13.461 -10.732 451 H LYS 117 H LYS 117 -2.466 11.448 -12.683 452 HA LYS 117 HA LYS 117 -3.696 8.935 -11.518 453 1HB LYS 117 1HB LYS 117 -2.103 9.444 -14.115 454 2HB LYS 117 2HB LYS 117 -2.485 7.841 -13.541 455 1HG LYS 117 1HG LYS 117 -4.057 8.375 -15.209 456 2HG LYS 117 2HG LYS 117 -4.927 8.252 -13.689 457 1HD LYS 117 1HD LYS 117 -5.176 10.665 -13.508 458 2HD LYS 117 2HD LYS 117 -4.028 10.987 -14.799 459 1HE LYS 117 1HE LYS 117 -6.782 9.619 -15.173 460 2HE LYS 117 2HE LYS 117 -6.459 11.334 -15.425 461 1HZ LYS 117 2HZ LYS 117 -4.903 10.755 -17.200 462 2HZ LYS 117 3HZ LYS 117 -5.180 9.141 -16.979 463 3HZ LYS 117 1HZ LYS 117 -6.398 10.124 -17.508 464 H TYR 118 H TYR 118 -2.455 7.222 -10.876 465 HA TYR 118 HA TYR 118 0.489 7.637 -10.279 466 1HB TYR 118 1HB TYR 118 0.068 6.592 -7.928 467 2HB TYR 118 2HB TYR 118 0.045 8.271 -8.219 468 HD1 TYR 118 HD1 TYR 118 -2.139 9.579 -8.335 469 HD2 TYR 118 HD2 TYR 118 -1.987 5.490 -6.997 470 HE1 TYR 118 HE1 TYR 118 -4.320 9.848 -7.252 471 HE2 TYR 118 HE2 TYR 118 -4.140 5.796 -5.857 472 HH TYR 118 HH TYR 118 -5.919 8.888 -6.080 473 H PHE 119 H PHE 119 1.710 5.937 -10.232 474 HA PHE 119 HA PHE 119 0.544 3.274 -11.177 475 1HB PHE 119 1HB PHE 119 2.305 3.012 -12.793 476 2HB PHE 119 2HB PHE 119 1.382 4.435 -13.126 477 HD1 PHE 119 HD1 PHE 119 2.414 6.751 -12.872 478 HD2 PHE 119 HD2 PHE 119 4.727 3.185 -12.192 479 HE1 PHE 119 HE1 PHE 119 4.500 8.056 -13.011 480 HE2 PHE 119 HE2 PHE 119 6.796 4.510 -12.344 481 HZ PHE 119 HZ PHE 119 6.684 6.945 -12.746 482 H LEU 120 H LEU 120 1.062 1.711 -9.916 483 HA LEU 120 HA LEU 120 3.620 1.731 -8.229 484 1HB LEU 120 1HB LEU 120 1.526 1.448 -6.929 485 2HB LEU 120 2HB LEU 120 1.060 0.074 -7.908 486 HG LEU 120 HG LEU 120 3.009 -1.252 -7.067 487 1HD1 LEU 120 3HD2 LEU 120 4.643 0.552 -6.485 488 2HD1 LEU 120 1HD2 LEU 120 3.583 1.123 -5.171 489 3HD1 LEU 120 2HD2 LEU 120 4.328 -0.489 -5.092 490 1HD2 LEU 120 2HD1 LEU 120 0.789 -1.425 -5.939 491 2HD2 LEU 120 3HD1 LEU 120 2.119 -1.662 -4.788 492 3HD2 LEU 120 1HD1 LEU 120 1.232 -0.125 -4.810 493 H TRP 121 H TRP 121 1.599 -0.494 -10.210 494 HA TRP 121 HA TRP 121 4.120 -1.967 -11.188 495 1HB TRP 121 1HB TRP 121 2.983 -3.134 -9.226 496 2HB TRP 121 2HB TRP 121 1.519 -3.246 -10.167 497 HD1 TRP 121 HD1 TRP 121 5.144 -4.623 -10.004 498 HE1 TRP 121 HE1 TRP 121 5.242 -7.094 -10.951 499 HE3 TRP 121 HE3 TRP 121 0.469 -4.635 -12.043 500 HZ2 TRP 121 HZ2 TRP 121 3.324 -8.729 -12.345 501 HZ3 TRP 121 HZ3 TRP 121 -0.317 -6.664 -13.218 502 HH2 TRP 121 HH2 TRP 121 1.085 -8.671 -13.358 503 H VAL 122 H VAL 122 4.038 -1.204 -13.228 504 HA VAL 122 HA VAL 122 3.534 -1.213 -15.462 505 HB VAL 122 HB VAL 122 1.247 -3.083 -14.993 506 1HG1 VAL 122 3HG2 VAL 122 1.110 -2.065 -17.270 507 2HG1 VAL 122 1HG2 VAL 122 2.803 -2.509 -17.593 508 3HG1 VAL 122 2HG2 VAL 122 1.562 -3.772 -17.385 509 1HG2 VAL 122 3HG1 VAL 122 3.357 -4.113 -14.128 510 2HG2 VAL 122 1HG1 VAL 122 2.827 -4.934 -15.601 511 3HG2 VAL 122 2HG1 VAL 122 4.178 -3.772 -15.669 512 H VAL 123 H VAL 123 0.073 -1.208 -14.517 513 HA VAL 123 HA VAL 123 -0.415 0.959 -16.389 514 HB VAL 123 HB VAL 123 -2.789 0.698 -15.711 515 1HG1 VAL 123 1HG1 VAL 123 -1.844 -0.665 -17.559 516 2HG1 VAL 123 2HG1 VAL 123 -1.461 -1.975 -16.416 517 3HG1 VAL 123 3HG1 VAL 123 -3.154 -1.514 -16.717 518 1HG2 VAL 123 3HG2 VAL 123 -2.643 0.028 -13.315 519 2HG2 VAL 123 1HG2 VAL 123 -3.612 -1.118 -14.253 520 3HG2 VAL 123 2HG2 VAL 123 -1.950 -1.544 -13.778 521 H LYS 124 H LYS 124 -1.021 3.001 -16.158 522 HA LYS 124 HA LYS 124 -0.815 4.354 -13.448 523 1HB LYS 124 1HB LYS 124 -0.753 6.470 -14.481 524 2HB LYS 124 2HB LYS 124 0.481 5.457 -15.184 525 1HG LYS 124 1HG LYS 124 -0.761 5.241 -17.305 526 2HG LYS 124 2HG LYS 124 -2.215 5.956 -16.608 527 1HD LYS 124 1HD LYS 124 -1.009 8.135 -16.227 528 2HD LYS 124 2HD LYS 124 0.451 7.445 -16.922 529 1HE LYS 124 1HE LYS 124 -0.549 8.780 -18.651 530 2HE LYS 124 2HE LYS 124 -0.803 7.106 -19.140 531 1HZ LYS 124 1HZ LYS 124 -2.837 8.853 -17.821 532 2HZ LYS 124 2HZ LYS 124 -2.804 8.440 -19.420 533 3HZ LYS 124 3HZ LYS 124 -3.096 7.286 -18.274 534 H PHE 125 H PHE 125 -2.436 5.303 -12.466 535 HA PHE 125 HA PHE 125 -5.173 5.665 -13.437 536 1HB PHE 125 1HB PHE 125 -6.359 3.876 -12.180 537 2HB PHE 125 2HB PHE 125 -5.531 3.375 -13.617 538 HD1 PHE 125 HD2 PHE 125 -2.791 3.167 -11.355 539 HD2 PHE 125 HD1 PHE 125 -6.628 1.371 -12.147 540 HE1 PHE 125 HE2 PHE 125 -2.077 1.135 -10.226 541 HE2 PHE 125 HE1 PHE 125 -5.890 -0.660 -10.983 542 HZ PHE 125 HZ PHE 125 -3.621 -0.785 -10.022 543 H ASN 126 H ASN 126 -6.447 6.724 -12.005 544 HA ASN 126 HA ASN 126 -5.222 7.721 -9.427 545 1HB ASN 126 1HB ASN 126 -7.069 9.266 -9.211 546 2HB ASN 126 2HB ASN 126 -6.170 9.461 -10.685 547 1HD2 ASN 126 1HD2 ASN 126 -9.069 8.955 -12.778 548 2HD2 ASN 126 2HD2 ASN 126 -7.240 9.082 -12.696 549 H SER 127 H SER 127 -5.336 5.356 -9.066 550 HA SER 127 HA SER 127 -7.562 4.037 -8.076 551 1HB SER 127 1HB SER 127 -5.796 2.270 -8.194 552 2HB SER 127 2HB SER 127 -5.668 3.332 -9.531 553 HG SER 127 HG SER 127 -4.117 3.416 -7.144 554 H LEU 128 H LEU 128 -7.921 5.595 -6.026 555 HA LEU 128 HA LEU 128 -6.970 3.917 -3.603 556 1HB LEU 128 1HB LEU 128 -8.238 6.701 -3.613 557 2HB LEU 128 2HB LEU 128 -8.103 5.704 -2.179 558 HG LEU 128 HG LEU 128 -5.676 6.608 -3.837 559 1HD1 LEU 128 2HD1 LEU 128 -6.825 8.576 -2.804 560 2HD1 LEU 128 3HD1 LEU 128 -6.761 7.798 -1.201 561 3HD1 LEU 128 1HD1 LEU 128 -5.259 8.280 -2.025 562 1HD2 LEU 128 2HD2 LEU 128 -5.771 5.265 -1.063 563 2HD2 LEU 128 3HD2 LEU 128 -5.094 4.574 -2.556 564 3HD2 LEU 128 1HD2 LEU 128 -4.319 5.976 -1.807 565 H ASN 129 H ASN 129 -8.100 2.235 -4.257 566 HA ASN 129 HA ASN 129 -10.338 1.061 -3.628 567 1HB ASN 129 1HB ASN 129 -11.949 2.902 -3.973 568 2HB ASN 129 2HB ASN 129 -11.536 3.013 -5.671 569 1HD2 ASN 129 1HD2 ASN 129 -14.260 0.181 -4.498 570 2HD2 ASN 129 2HD2 ASN 129 -13.343 1.204 -3.282 571 H GLU 130 H GLU 130 -9.419 2.337 -6.884 572 HA GLU 130 HA GLU 130 -9.570 -0.147 -8.341 573 1HB GLU 130 1HB GLU 130 -7.648 2.156 -9.004 574 2HB GLU 130 2HB GLU 130 -8.130 0.922 -10.095 575 1HG GLU 130 1HG GLU 130 -9.914 3.146 -8.945 576 2HG GLU 130 2HG GLU 130 -9.248 3.053 -10.559 577 H LEU 131 H LEU 131 -6.639 1.227 -6.714 578 HA LEU 131 HA LEU 131 -4.835 -0.924 -7.515 579 1HB LEU 131 1HB LEU 131 -4.258 1.466 -6.651 580 2HB LEU 131 2HB LEU 131 -4.655 0.913 -5.045 581 HG LEU 131 HG LEU 131 -2.766 -0.869 -5.364 582 1HD1 LEU 131 2HD1 LEU 131 -2.570 -0.721 -7.883 583 2HD1 LEU 131 3HD1 LEU 131 -2.032 0.970 -7.752 584 3HD1 LEU 131 1HD1 LEU 131 -1.032 -0.351 -7.096 585 1HD2 LEU 131 3HD2 LEU 131 -2.492 1.165 -3.944 586 2HD2 LEU 131 1HD2 LEU 131 -0.980 0.792 -4.790 587 3HD2 LEU 131 2HD2 LEU 131 -2.011 2.128 -5.362 588 H VAL 132 H VAL 132 -6.881 -0.522 -4.648 589 HA VAL 132 HA VAL 132 -5.963 -2.797 -3.103 590 HB VAL 132 HB VAL 132 -8.814 -1.629 -3.094 591 1HG1 VAL 132 1HG2 VAL 132 -7.360 -3.432 -1.057 592 2HG1 VAL 132 2HG2 VAL 132 -8.876 -2.563 -0.715 593 3HG1 VAL 132 3HG2 VAL 132 -8.834 -3.793 -1.973 594 1HG2 VAL 132 2HG1 VAL 132 -6.365 -0.715 -1.491 595 2HG2 VAL 132 3HG1 VAL 132 -7.353 0.229 -2.629 596 3HG2 VAL 132 1HG1 VAL 132 -8.055 -0.292 -1.097 597 H ASP 133 H ASP 133 -8.970 -2.630 -5.079 598 HA ASP 133 HA ASP 133 -9.433 -5.458 -4.873 599 1HB ASP 133 1HB ASP 133 -10.640 -3.486 -6.924 600 2HB ASP 133 2HB ASP 133 -11.217 -5.123 -6.678 601 H TYR 134 H TYR 134 -7.781 -3.667 -7.488 602 HA TYR 134 HA TYR 134 -7.399 -5.848 -9.408 603 1HB TYR 134 1HB TYR 134 -7.086 -3.497 -10.020 604 2HB TYR 134 2HB TYR 134 -5.854 -3.268 -8.804 605 HD1 TYR 134 HD1 TYR 134 -6.436 -5.506 -11.843 606 HD2 TYR 134 HD2 TYR 134 -3.634 -3.184 -9.546 607 HE1 TYR 134 HE1 TYR 134 -4.690 -5.947 -13.509 608 HE2 TYR 134 HE2 TYR 134 -1.907 -3.608 -11.227 609 HH TYR 134 HH TYR 134 -1.425 -4.542 -13.184 610 H HIS 135 H HIS 135 -5.059 -4.614 -6.942 611 HA HIS 135 HA HIS 135 -3.399 -7.054 -7.240 612 1HB HIS 135 1HB HIS 135 -3.009 -4.658 -5.371 613 2HB HIS 135 2HB HIS 135 -1.948 -6.052 -5.391 614 HD2 HIS 135 HD2 HIS 135 -1.790 -2.773 -6.715 615 HE1 HIS 135 HE1 HIS 135 0.206 -5.008 -9.569 616 HE2 HIS 135 HE2 HIS 135 -0.155 -2.582 -8.786 617 H ARG 136 H ARG 136 -6.134 -6.696 -5.364 618 HA ARG 136 HA ARG 136 -5.609 -8.405 -3.072 619 1HB ARG 136 1HB ARG 136 -7.650 -7.021 -3.594 620 2HB ARG 136 2HB ARG 136 -8.146 -8.176 -4.816 621 1HG ARG 136 1HG ARG 136 -8.618 -9.863 -3.130 622 2HG ARG 136 2HG ARG 136 -7.763 -8.995 -1.865 623 1HD ARG 136 1HD ARG 136 -10.248 -7.831 -3.300 624 2HD ARG 136 2HD ARG 136 -10.385 -8.834 -1.874 625 HE ARG 136 HE ARG 136 -9.347 -5.991 -1.991 626 1HH1 ARG 136 2HH2 ARG 136 -9.797 -8.847 0.082 627 2HH1 ARG 136 1HH2 ARG 136 -9.562 -7.812 1.579 628 1HH2 ARG 136 1HH1 ARG 136 -9.092 -4.916 -0.218 629 2HH2 ARG 136 2HH1 ARG 136 -9.191 -5.741 1.418 630 H SER 137 H SER 137 -5.872 -9.266 -6.475 631 HA SER 137 HA SER 137 -5.374 -12.188 -5.851 632 1HB SER 137 1HB SER 137 -6.542 -11.005 -8.443 633 2HB SER 137 2HB SER 137 -6.075 -12.694 -8.219 634 HG SER 137 HG SER 137 -7.973 -11.279 -6.659 635 H THR 138 H THR 138 -4.267 -9.410 -7.872 636 HA THR 138 HA THR 138 -1.894 -10.988 -8.874 637 HB THR 138 HB THR 138 -2.806 -8.098 -9.498 638 HG1 THR 138 HG1 THR 138 -3.565 -9.060 -11.381 639 1HG2 THR 138 3HG2 THR 138 -0.759 -9.857 -11.014 640 2HG2 THR 138 1HG2 THR 138 -1.460 -8.338 -11.619 641 3HG2 THR 138 2HG2 THR 138 -0.419 -8.316 -10.188 642 H SER 139 H SER 139 0.271 -10.384 -8.584 643 HA SER 139 HA SER 139 0.906 -9.358 -5.873 644 1HB SER 139 1HB SER 139 2.049 -11.339 -6.885 645 2HB SER 139 2HB SER 139 2.833 -10.297 -8.079 646 HG SER 139 HG SER 139 3.013 -10.087 -5.249 647 H VAL 140 H VAL 140 1.659 -7.417 -5.274 648 HA VAL 140 HA VAL 140 2.004 -5.127 -7.080 649 HB VAL 140 HB VAL 140 2.889 -3.952 -5.037 650 1HG1 VAL 140 2HG1 VAL 140 0.557 -3.761 -5.715 651 2HG1 VAL 140 3HG1 VAL 140 0.109 -5.199 -4.760 652 3HG1 VAL 140 1HG1 VAL 140 0.686 -3.715 -3.961 653 1HG2 VAL 140 2HG2 VAL 140 3.744 -5.850 -3.622 654 2HG2 VAL 140 3HG2 VAL 140 2.583 -4.821 -2.767 655 3HG2 VAL 140 1HG2 VAL 140 2.064 -6.400 -3.394 656 H SER 141 H SER 141 4.375 -7.239 -5.441 657 HA SER 141 HA SER 141 6.671 -5.714 -6.781 658 1HB SER 141 1HB SER 141 6.535 -5.746 -4.230 659 2HB SER 141 2HB SER 141 6.774 -7.491 -4.265 660 HG SER 141 HG SER 141 8.696 -6.332 -4.011 661 H ARG 142 H ARG 142 5.621 -9.042 -5.986 662 HA ARG 142 HA ARG 142 6.100 -11.118 -6.900 663 1HB ARG 142 1HB ARG 142 7.688 -9.848 -9.176 664 2HB ARG 142 2HB ARG 142 7.356 -11.556 -8.982 665 1HG ARG 142 1HG ARG 142 4.911 -11.193 -9.133 666 2HG ARG 142 2HG ARG 142 5.107 -9.452 -9.224 667 1HD ARG 142 1HD ARG 142 6.221 -11.435 -11.325 668 2HD ARG 142 2HD ARG 142 4.656 -10.622 -11.432 669 HE ARG 142 HE ARG 142 6.771 -8.604 -11.057 670 1HH1 ARG 142 2HH2 ARG 142 5.415 -10.735 -13.560 671 2HH1 ARG 142 1HH2 ARG 142 5.979 -9.578 -14.868 672 1HH2 ARG 142 1HH1 ARG 142 7.364 -7.363 -12.624 673 2HH2 ARG 142 2HH1 ARG 142 7.008 -7.797 -14.371 674 H ASN 143 H ASN 143 7.020 -11.136 -4.848 675 HA ASN 143 HA ASN 143 9.711 -12.347 -4.951 676 1HB ASN 143 1HB ASN 143 10.898 -11.206 -3.234 677 2HB ASN 143 2HB ASN 143 10.530 -10.109 -4.532 678 1HD2 ASN 143 1HD2 ASN 143 9.555 -8.899 -0.842 679 2HD2 ASN 143 2HD2 ASN 143 10.633 -10.331 -1.236 680 H GLN 144 H GLN 144 7.412 -11.201 -2.408 681 HA GLN 144 HA GLN 144 7.140 -14.106 -1.468 682 1HB GLN 144 1HB GLN 144 6.242 -11.505 -0.063 683 2HB GLN 144 2HB GLN 144 5.975 -13.121 0.549 684 1HG GLN 144 1HG GLN 144 8.456 -13.511 0.754 685 2HG GLN 144 2HG GLN 144 8.753 -11.873 0.188 686 1HE2 GLN 144 2HE2 GLN 144 7.554 -12.381 4.083 687 2HE2 GLN 144 1HE2 GLN 144 7.653 -13.781 2.901 688 H GLN 145 H GLN 145 5.699 -12.492 -3.737 689 HA GLN 145 HA GLN 145 3.552 -12.201 -4.689 690 1HB GLN 145 1HB GLN 145 2.937 -14.851 -3.290 691 2HB GLN 145 2HB GLN 145 1.836 -14.065 -4.390 692 1HG GLN 145 1HG GLN 145 4.668 -15.014 -5.150 693 2HG GLN 145 2HG GLN 145 3.184 -15.895 -5.441 694 1HE2 GLN 145 2HE2 GLN 145 4.227 -13.151 -8.211 695 2HE2 GLN 145 1HE2 GLN 145 5.305 -13.678 -6.823 696 H ILE 146 H ILE 146 3.512 -10.284 -3.391 697 HA ILE 146 HA ILE 146 2.012 -10.314 -0.842 698 HB ILE 146 HB ILE 146 3.221 -7.911 -2.244 699 1HG1 ILE 146 1HG1 ILE 146 4.780 -8.096 -0.059 700 2HG1 ILE 146 2HG1 ILE 146 4.293 -9.778 -0.050 701 1HG2 ILE 146 3HG2 ILE 146 1.973 -8.127 0.565 702 2HG2 ILE 146 1HG2 ILE 146 2.940 -6.749 -0.009 703 3HG2 ILE 146 2HG2 ILE 146 1.398 -7.123 -0.781 704 1HD1 ILE 146 3HD1 ILE 146 5.669 -8.308 -2.401 705 2HD1 ILE 146 1HD1 ILE 146 6.487 -9.343 -1.205 706 3HD1 ILE 146 2HD1 ILE 146 5.334 -10.058 -2.348 707 H PHE 147 H PHE 147 -0.054 -10.226 -0.727 708 HA PHE 147 HA PHE 147 -1.792 -9.009 -2.955 709 1HB PHE 147 1HB PHE 147 -2.516 -11.424 -1.214 710 2HB PHE 147 2HB PHE 147 -3.509 -10.718 -2.465 711 HD1 PHE 147 HD2 PHE 147 -1.151 -10.408 -4.647 712 HD2 PHE 147 HD1 PHE 147 -2.510 -13.640 -2.143 713 HE1 PHE 147 HE2 PHE 147 -0.247 -12.040 -6.239 714 HE2 PHE 147 HE1 PHE 147 -1.635 -15.248 -3.784 715 HZ PHE 147 HZ PHE 147 -0.485 -14.454 -5.816 716 H LEU 148 H LEU 148 -3.363 -7.686 -2.407 717 HA LEU 148 HA LEU 148 -3.097 -6.351 0.214 718 1HB LEU 148 1HB LEU 148 -4.475 -5.672 -2.429 719 2HB LEU 148 2HB LEU 148 -4.921 -4.788 -1.007 720 HG LEU 148 HG LEU 148 -2.563 -4.105 -0.563 721 1HD1 LEU 148 1HD2 LEU 148 -1.872 -5.545 -3.198 722 2HD1 LEU 148 2HD2 LEU 148 -0.823 -4.356 -2.392 723 3HD1 LEU 148 3HD2 LEU 148 -1.203 -5.876 -1.584 724 1HD2 LEU 148 2HD1 LEU 148 -4.047 -2.591 -1.834 725 2HD2 LEU 148 3HD1 LEU 148 -2.389 -2.455 -2.439 726 3HD2 LEU 148 1HD1 LEU 148 -3.596 -3.371 -3.373 727 H ARG 149 H ARG 149 -4.087 -6.992 1.945 728 HA ARG 149 HA ARG 149 -7.052 -7.730 1.987 729 1HB ARG 149 1HB ARG 149 -5.247 -9.478 2.486 730 2HB ARG 149 2HB ARG 149 -4.654 -8.470 3.798 731 1HG ARG 149 1HG ARG 149 -6.867 -8.780 5.005 732 2HG ARG 149 2HG ARG 149 -7.411 -9.827 3.682 733 1HD ARG 149 1HD ARG 149 -5.373 -11.310 4.061 734 2HD ARG 149 2HD ARG 149 -4.871 -10.266 5.402 735 HE ARG 149 HE ARG 149 -7.534 -11.048 6.095 736 1HH1 ARG 149 2HH2 ARG 149 -4.512 -12.804 5.425 737 2HH1 ARG 149 1HH2 ARG 149 -5.051 -14.175 6.519 738 1HH2 ARG 149 1HH1 ARG 149 -8.043 -12.665 7.314 739 2HH2 ARG 149 2HH1 ARG 149 -6.915 -14.099 7.515 740 H ASP 150 H ASP 150 -8.282 -6.852 3.723 741 HA ASP 150 HA ASP 150 -7.461 -4.133 4.660 742 1HB ASP 150 1HB ASP 150 -10.022 -5.774 5.211 743 2HB ASP 150 2HB ASP 150 -9.748 -4.184 5.891 744 H ILE 151 H ILE 151 -7.498 -3.386 6.792 745 HA ILE 151 HA ILE 151 -5.661 -4.960 8.455 746 HB ILE 151 HB ILE 151 -5.567 -2.956 9.968 747 1HG1 ILE 151 1HG1 ILE 151 -6.410 -0.742 9.128 748 2HG1 ILE 151 2HG1 ILE 151 -7.468 -1.558 7.996 749 1HG2 ILE 151 2HG2 ILE 151 -3.974 -3.278 8.122 750 2HG2 ILE 151 3HG2 ILE 151 -5.063 -2.422 7.008 751 3HG2 ILE 151 1HG2 ILE 151 -4.305 -1.553 8.368 752 1HD1 ILE 151 3HD1 ILE 151 -7.605 -1.866 11.082 753 2HD1 ILE 151 1HD1 ILE 151 -8.616 -0.767 10.114 754 3HD1 ILE 151 2HD1 ILE 151 -8.788 -2.520 9.915 755 H GLU 152 H GLU 152 -5.720 -4.979 10.795 756 HA GLU 152 HA GLU 152 -8.152 -6.582 11.695 757 1HB GLU 152 1HB GLU 152 -5.838 -7.550 11.919 758 2HB GLU 152 2HB GLU 152 -5.394 -6.258 13.024 759 1HG GLU 152 1HG GLU 152 -7.164 -7.043 14.657 760 2HG GLU 152 2HG GLU 152 -7.652 -8.300 13.524 761 HXT GLU 152 HO OH 153 -9.585 -5.346 12.311 No H/Q in entry = 761 Start of MODEL 18 1 1H GLY 58 1H GLY 58 -13.672 -0.586 2.400 2 2H GLY 58 2H GLY 58 -14.015 -2.051 3.039 3 1HA GLY 58 1HA GLY 58 -12.123 -1.978 4.519 4 2HA GLY 58 2HA GLY 58 -11.651 -1.819 2.830 5 H SER 59 H SER 59 -11.521 -0.367 5.874 6 HA SER 59 HA SER 59 -10.948 2.444 4.990 7 1HB SER 59 1HB SER 59 -12.054 1.987 7.179 8 2HB SER 59 2HB SER 59 -10.615 1.143 7.766 9 HG SER 59 HG SER 59 -9.448 3.084 7.402 10 H TRP 60 H TRP 60 -9.120 2.799 3.939 11 HA TRP 60 HA TRP 60 -6.506 1.544 4.844 12 1HB TRP 60 1HB TRP 60 -5.885 1.035 2.521 13 2HB TRP 60 2HB TRP 60 -7.102 0.030 3.245 14 HD1 TRP 60 HD1 TRP 60 -7.380 3.279 0.983 15 HE1 TRP 60 HE1 TRP 60 -8.939 2.817 -1.111 16 HE3 TRP 60 HE3 TRP 60 -8.519 -1.532 2.190 17 HZ2 TRP 60 HZ2 TRP 60 -10.372 0.483 -2.000 18 HZ3 TRP 60 HZ3 TRP 60 -9.990 -2.829 0.700 19 HH2 TRP 60 HH2 TRP 60 -10.892 -1.843 -1.367 20 H PHE 61 H PHE 61 -7.831 4.408 3.170 21 HA PHE 61 HA PHE 61 -5.059 5.456 2.759 22 1HB PHE 61 1HB PHE 61 -6.761 6.046 1.114 23 2HB PHE 61 2HB PHE 61 -7.748 6.843 2.317 24 HD1 PHE 61 HD1 PHE 61 -4.158 6.960 0.996 25 HD2 PHE 61 HD2 PHE 61 -7.489 9.224 2.516 26 HE1 PHE 61 HE1 PHE 61 -2.867 9.031 0.764 27 HE2 PHE 61 HE2 PHE 61 -6.198 11.295 2.218 28 HZ PHE 61 HZ PHE 61 -3.890 11.208 1.351 29 H PHE 62 H PHE 62 -3.925 6.230 4.295 30 HA PHE 62 HA PHE 62 -5.083 7.986 6.525 31 1HB PHE 62 1HB PHE 62 -3.003 5.780 6.947 32 2HB PHE 62 2HB PHE 62 -3.342 7.032 8.108 33 HD1 PHE 62 HD1 PHE 62 -5.577 7.094 9.321 34 HD2 PHE 62 HD2 PHE 62 -4.639 3.905 6.592 35 HE1 PHE 62 HE1 PHE 62 -7.478 5.783 10.175 36 HE2 PHE 62 HE2 PHE 62 -6.550 2.621 7.437 37 HZ PHE 62 HZ PHE 62 -7.975 3.551 9.231 38 H GLY 63 H GLY 63 -4.502 9.771 5.396 39 1HA GLY 63 1HA GLY 63 -2.100 10.052 3.772 40 2HA GLY 63 2HA GLY 63 -3.223 11.334 4.170 41 H LYS 64 H LYS 64 -0.171 10.559 4.392 42 HA LYS 64 HA LYS 64 1.713 11.116 5.602 43 1HB LYS 64 1HB LYS 64 2.095 13.356 6.396 44 2HB LYS 64 2HB LYS 64 1.417 13.277 4.790 45 1HG LYS 64 1HG LYS 64 -0.834 13.983 5.657 46 2HG LYS 64 2HG LYS 64 -0.201 14.035 7.304 47 1HD LYS 64 1HD LYS 64 1.448 15.814 6.608 48 2HD LYS 64 2HD LYS 64 0.849 15.733 4.946 49 1HE LYS 64 1HE LYS 64 -1.453 16.468 5.740 50 2HE LYS 64 2HE LYS 64 -0.851 16.552 7.403 51 1HZ LYS 64 2HZ LYS 64 0.755 18.242 6.672 52 2HZ LYS 64 3HZ LYS 64 0.186 18.168 5.123 53 3HZ LYS 64 1HZ LYS 64 -0.792 18.716 6.336 54 H ILE 65 H ILE 65 0.980 9.206 6.867 55 HA ILE 65 HA ILE 65 0.523 9.802 9.777 56 HB ILE 65 HB ILE 65 -1.097 8.491 8.540 57 1HG1 ILE 65 1HG1 ILE 65 -0.853 8.203 10.984 58 2HG1 ILE 65 2HG1 ILE 65 -1.665 6.918 10.116 59 1HG2 ILE 65 2HG2 ILE 65 0.185 7.275 6.855 60 2HG2 ILE 65 3HG2 ILE 65 0.978 6.269 8.087 61 3HG2 ILE 65 1HG2 ILE 65 -0.777 6.144 7.812 62 1HD1 ILE 65 2HD1 ILE 65 0.393 5.466 10.254 63 2HD1 ILE 65 3HD1 ILE 65 1.228 6.748 11.164 64 3HD1 ILE 65 1HD1 ILE 65 -0.209 5.960 11.855 65 HA PRO 66 HA PRO 66 4.983 9.102 10.206 66 1HB PRO 66 1HB PRO 66 5.276 9.020 12.988 67 2HB PRO 66 2HB PRO 66 4.913 10.475 12.050 68 1HG PRO 66 1HG PRO 66 2.929 8.667 13.517 69 2HG PRO 66 2HG PRO 66 3.058 10.440 13.602 70 1HD PRO 66 1HD PRO 66 1.222 9.220 11.960 71 2HD PRO 66 2HD PRO 66 2.044 10.718 11.426 72 H ARG 67 H ARG 67 6.639 7.658 10.903 73 HA ARG 67 HA ARG 67 5.876 4.924 10.242 74 1HB ARG 67 1HB ARG 67 7.973 6.257 9.541 75 2HB ARG 67 2HB ARG 67 8.709 5.790 11.048 76 1HG ARG 67 1HG ARG 67 8.639 3.423 10.492 77 2HG ARG 67 2HG ARG 67 7.517 3.642 9.168 78 1HD ARG 67 1HD ARG 67 10.415 4.721 9.146 79 2HD ARG 67 2HD ARG 67 9.916 3.145 8.520 80 HE ARG 67 HE ARG 67 8.348 5.403 7.329 81 1HH1 ARG 67 2HH2 ARG 67 11.317 3.480 6.969 82 2HH1 ARG 67 1HH2 ARG 67 11.420 3.950 5.199 83 1HH2 ARG 67 1HH1 ARG 67 8.566 5.871 5.310 84 2HH2 ARG 67 2HH1 ARG 67 9.967 5.212 4.325 85 H ALA 68 H ALA 68 6.850 6.184 13.303 86 HA ALA 68 HA ALA 68 7.060 3.534 14.688 87 1HB ALA 68 2HB ALA 68 8.164 5.533 15.698 88 2HB ALA 68 3HB ALA 68 6.582 6.311 15.961 89 3HB ALA 68 1HB ALA 68 7.003 4.817 16.832 90 H LYS 69 H LYS 69 4.355 5.860 14.321 91 HA LYS 69 HA LYS 69 2.365 4.131 15.704 92 1HB LYS 69 1HB LYS 69 2.183 6.659 15.443 93 2HB LYS 69 2HB LYS 69 1.948 6.449 13.712 94 1HG LYS 69 1HG LYS 69 -0.186 5.131 14.210 95 2HG LYS 69 2HG LYS 69 0.069 5.410 15.934 96 1HD LYS 69 1HD LYS 69 -0.063 7.901 15.568 97 2HD LYS 69 2HD LYS 69 -0.223 7.655 13.825 98 1HE LYS 69 1HE LYS 69 -2.401 6.397 14.193 99 2HE LYS 69 2HE LYS 69 -2.252 6.651 15.939 100 1HZ LYS 69 1HZ LYS 69 -2.455 8.822 13.905 101 2HZ LYS 69 2HZ LYS 69 -3.666 8.322 14.911 102 3HZ LYS 69 3HZ LYS 69 -2.325 9.057 15.535 103 H ALA 70 H ALA 70 3.358 4.467 12.307 104 HA ALA 70 HA ALA 70 1.290 2.630 11.193 105 1HB ALA 70 2HB ALA 70 2.445 4.294 9.718 106 2HB ALA 70 3HB ALA 70 3.996 3.453 9.957 107 3HB ALA 70 1HB ALA 70 2.657 2.641 9.113 108 H GLU 71 H GLU 71 4.664 2.125 12.296 109 HA GLU 71 HA GLU 71 4.718 -0.796 11.755 110 1HB GLU 71 1HB GLU 71 6.454 1.042 13.518 111 2HB GLU 71 2HB GLU 71 6.734 -0.684 13.410 112 1HG GLU 71 1HG GLU 71 7.169 -0.600 11.004 113 2HG GLU 71 2HG GLU 71 6.740 1.091 10.873 114 H GLU 72 H GLU 72 4.004 1.115 14.748 115 HA GLU 72 HA GLU 72 3.520 -1.101 16.535 116 1HB GLU 72 1HB GLU 72 3.776 1.282 17.230 117 2HB GLU 72 2HB GLU 72 2.228 1.686 16.511 118 1HG GLU 72 1HG GLU 72 2.018 1.530 18.934 119 2HG GLU 72 2HG GLU 72 1.035 0.283 18.195 120 H MET 73 H MET 73 1.227 0.389 14.232 121 HA MET 73 HA MET 73 -0.969 -1.551 14.895 122 1HB MET 73 1HB MET 73 -0.656 0.579 12.697 123 2HB MET 73 2HB MET 73 -1.946 -0.599 12.648 124 1HG MET 73 1HG MET 73 -2.837 1.394 13.641 125 2HG MET 73 2HG MET 73 -2.819 0.137 14.877 126 1HE MET 73 1HE MET 73 -1.253 0.212 17.050 127 2HE MET 73 3HE MET 73 -0.992 1.852 17.714 128 3HE MET 73 2HE MET 73 -2.626 1.356 17.180 129 H LEU 74 H LEU 74 0.988 -1.131 11.879 130 HA LEU 74 HA LEU 74 -0.102 -3.537 10.704 131 1HB LEU 74 1HB LEU 74 2.168 -1.676 9.843 132 2HB LEU 74 2HB LEU 74 1.835 -3.128 8.958 133 HG LEU 74 HG LEU 74 -0.456 -2.495 8.432 134 1HD1 LEU 74 3HD1 LEU 74 0.013 0.183 9.896 135 2HD1 LEU 74 1HD1 LEU 74 -1.333 -0.168 8.782 136 3HD1 LEU 74 2HD1 LEU 74 -1.200 -1.062 10.297 137 1HD2 LEU 74 3HD2 LEU 74 1.433 -1.860 6.920 138 2HD2 LEU 74 1HD2 LEU 74 0.113 -0.681 6.830 139 3HD2 LEU 74 2HD2 LEU 74 1.591 -0.285 7.741 140 H SER 75 H SER 75 3.293 -3.190 11.971 141 HA SER 75 HA SER 75 3.996 -5.958 11.283 142 1HB SER 75 1HB SER 75 5.997 -5.751 12.561 143 2HB SER 75 2HB SER 75 5.745 -4.255 11.672 144 HG SER 75 HG SER 75 4.869 -3.367 13.605 145 H LYS 76 H LYS 76 2.441 -4.649 14.172 146 HA LYS 76 HA LYS 76 2.377 -7.245 15.641 147 1HB LYS 76 1HB LYS 76 0.917 -4.580 16.110 148 2HB LYS 76 2HB LYS 76 0.590 -6.004 17.060 149 1HG LYS 76 1HG LYS 76 2.059 -4.667 18.329 150 2HG LYS 76 2HG LYS 76 2.912 -6.139 17.895 151 1HD LYS 76 1HD LYS 76 4.257 -4.920 16.188 152 2HD LYS 76 2HD LYS 76 3.295 -3.460 16.411 153 1HE LYS 76 1HE LYS 76 4.129 -3.341 18.839 154 2HE LYS 76 2HE LYS 76 5.123 -4.772 18.538 155 1HZ LYS 76 2HZ LYS 76 6.281 -3.518 16.786 156 2HZ LYS 76 3HZ LYS 76 5.350 -2.184 17.073 157 3HZ LYS 76 1HZ LYS 76 6.386 -2.734 18.236 158 H GLN 77 H GLN 77 -0.011 -5.632 13.445 159 HA GLN 77 HA GLN 77 -2.210 -7.135 13.754 160 1HB GLN 77 1HB GLN 77 -1.102 -5.485 11.617 161 2HB GLN 77 2HB GLN 77 -1.649 -6.916 10.823 162 1HG GLN 77 1HG GLN 77 -3.452 -5.432 10.735 163 2HG GLN 77 2HG GLN 77 -3.934 -6.609 11.950 164 1HE2 GLN 77 2HE2 GLN 77 -3.199 -2.718 13.102 165 2HE2 GLN 77 1HE2 GLN 77 -3.000 -3.295 11.377 166 H ARG 78 H ARG 78 -2.948 -8.979 13.474 167 HA ARG 78 HA ARG 78 -1.480 -11.428 12.933 168 1HB ARG 78 1HB ARG 78 -3.527 -12.662 13.110 169 2HB ARG 78 2HB ARG 78 -3.442 -11.469 14.366 170 1HG ARG 78 1HG ARG 78 -5.149 -11.133 11.803 171 2HG ARG 78 2HG ARG 78 -5.736 -11.914 13.246 172 1HD ARG 78 1HD ARG 78 -4.898 -8.952 13.047 173 2HD ARG 78 2HD ARG 78 -6.531 -9.573 13.030 174 HE ARG 78 HE ARG 78 -6.098 -10.529 15.423 175 1HH1 ARG 78 2HH2 ARG 78 -4.387 -7.616 14.306 176 2HH1 ARG 78 1HH2 ARG 78 -4.190 -7.062 16.044 177 1HH2 ARG 78 1HH1 ARG 78 -5.814 -9.799 17.343 178 2HH2 ARG 78 2HH1 ARG 78 -4.942 -8.212 17.641 179 H HIS 79 H HIS 79 -3.094 -9.455 10.540 180 HA HIS 79 HA HIS 79 -3.466 -11.660 8.598 181 1HB HIS 79 1HB HIS 79 -3.754 -8.627 8.110 182 2HB HIS 79 2HB HIS 79 -4.328 -9.917 7.086 183 HD2 HIS 79 HD2 HIS 79 -6.229 -11.701 8.411 184 HE1 HIS 79 HE1 HIS 79 -7.831 -8.600 10.668 185 HE2 HIS 79 HE2 HIS 79 -8.323 -10.997 9.890 186 H ASP 80 H ASP 80 -2.179 -12.253 6.994 187 HA ASP 80 HA ASP 80 0.523 -10.990 6.536 188 1HB ASP 80 1HB ASP 80 0.207 -13.505 6.653 189 2HB ASP 80 2HB ASP 80 -0.725 -13.459 5.167 190 H GLY 81 H GLY 81 0.380 -9.194 5.475 191 1HA GLY 81 1HA GLY 81 0.033 -8.144 3.096 192 2HA GLY 81 2HA GLY 81 -1.593 -8.780 3.153 193 H ALA 82 H ALA 82 -0.768 -7.585 6.273 194 HA ALA 82 HA ALA 82 -2.975 -5.741 6.184 195 1HB ALA 82 1HB ALA 82 -2.240 -6.863 8.274 196 2HB ALA 82 2HB ALA 82 -0.757 -5.880 8.326 197 3HB ALA 82 3HB ALA 82 -2.348 -5.115 8.516 198 H PHE 83 H PHE 83 -3.091 -3.810 5.201 199 HA PHE 83 HA PHE 83 -0.580 -2.076 4.975 200 1HB PHE 83 1HB PHE 83 -0.961 -1.767 2.677 201 2HB PHE 83 2HB PHE 83 -1.072 -3.441 2.982 202 HD1 PHE 83 HD2 PHE 83 -3.120 -0.440 2.102 203 HD2 PHE 83 HD1 PHE 83 -3.205 -4.706 2.566 204 HE1 PHE 83 HE2 PHE 83 -5.385 -0.532 1.127 205 HE2 PHE 83 HE1 PHE 83 -5.480 -4.761 1.667 206 HZ PHE 83 HZ PHE 83 -6.589 -2.663 0.985 207 H LEU 84 H LEU 84 -0.679 0.020 4.339 208 HA LEU 84 HA LEU 84 -3.210 1.574 4.411 209 1HB LEU 84 1HB LEU 84 -2.575 3.331 5.950 210 2HB LEU 84 2HB LEU 84 -2.708 1.782 6.732 211 HG LEU 84 HG LEU 84 -0.104 1.667 6.733 212 1HD1 LEU 84 3HD2 LEU 84 -0.390 4.650 5.956 213 2HD1 LEU 84 1HD2 LEU 84 1.074 3.942 6.687 214 3HD1 LEU 84 2HD2 LEU 84 0.542 3.409 5.096 215 1HD2 LEU 84 1HD1 LEU 84 -1.488 2.196 8.766 216 2HD2 LEU 84 2HD1 LEU 84 0.033 3.103 8.778 217 3HD2 LEU 84 3HD1 LEU 84 -1.489 3.919 8.340 218 H ILE 85 H ILE 85 -3.040 3.654 3.379 219 HA ILE 85 HA ILE 85 -0.590 3.891 1.533 220 HB ILE 85 HB ILE 85 -3.427 4.801 0.809 221 1HG1 ILE 85 1HG1 ILE 85 -3.011 3.160 -1.189 222 2HG1 ILE 85 2HG1 ILE 85 -1.721 2.456 -0.235 223 1HG2 ILE 85 3HG2 ILE 85 -0.759 5.011 -0.750 224 2HG2 ILE 85 1HG2 ILE 85 -2.358 5.319 -1.460 225 3HG2 ILE 85 2HG2 ILE 85 -1.765 6.357 -0.165 226 1HD1 ILE 85 2HD1 ILE 85 -4.700 2.625 0.619 227 2HD1 ILE 85 3HD1 ILE 85 -3.922 1.219 -0.148 228 3HD1 ILE 85 1HD1 ILE 85 -3.428 1.716 1.474 229 H ARG 86 H ARG 86 0.589 5.530 1.924 230 HA ARG 86 HA ARG 86 -0.207 7.892 3.651 231 1HB ARG 86 1HB ARG 86 2.486 7.147 2.332 232 2HB ARG 86 2HB ARG 86 2.243 8.492 3.428 233 1HG ARG 86 1HG ARG 86 1.638 6.940 5.279 234 2HG ARG 86 2HG ARG 86 1.905 5.543 4.227 235 1HD ARG 86 1HD ARG 86 4.311 6.196 3.904 236 2HD ARG 86 2HD ARG 86 4.052 7.680 4.847 237 HE ARG 86 HE ARG 86 3.275 5.239 6.370 238 1HH1 ARG 86 2HH2 ARG 86 6.067 7.283 5.522 239 2HH1 ARG 86 1HH2 ARG 86 6.913 6.768 7.067 240 1HH2 ARG 86 1HH1 ARG 86 4.315 4.741 8.060 241 2HH2 ARG 86 2HH1 ARG 86 5.982 5.424 8.405 242 H GLU 87 H GLU 87 0.529 10.003 3.003 243 HA GLU 87 HA GLU 87 0.726 10.580 0.004 244 1HB GLU 87 1HB GLU 87 -1.606 11.142 0.787 245 2HB GLU 87 2HB GLU 87 -0.959 12.248 1.993 246 1HG GLU 87 1HG GLU 87 0.074 13.628 0.079 247 2HG GLU 87 2HG GLU 87 -0.645 12.513 -1.079 248 H SER 88 H SER 88 2.724 11.336 -0.227 249 HA SER 88 HA SER 88 4.403 12.004 2.077 250 1HB SER 88 1HB SER 88 5.116 12.143 -0.916 251 2HB SER 88 2HB SER 88 6.265 12.287 0.412 252 HG SER 88 HG SER 88 6.111 10.186 -0.371 253 H GLU 89 H GLU 89 5.116 13.838 2.850 254 HA GLU 89 HA GLU 89 3.971 16.465 2.043 255 1HB GLU 89 1HB GLU 89 6.033 15.772 4.214 256 2HB GLU 89 2HB GLU 89 5.424 17.394 3.918 257 1HG GLU 89 1HG GLU 89 3.074 16.667 4.408 258 2HG GLU 89 2HG GLU 89 3.616 15.015 4.689 259 H SER 90 H SER 90 7.404 15.334 2.236 260 HA SER 90 HA SER 90 8.549 17.636 0.881 261 1HB SER 90 1HB SER 90 9.824 16.044 2.352 262 2HB SER 90 2HB SER 90 9.733 14.800 1.098 263 HG SER 90 HG SER 90 10.879 17.390 0.852 264 H ALA 91 H ALA 91 7.419 14.558 -0.544 265 HA ALA 91 HA ALA 91 7.887 15.697 -3.362 266 1HB ALA 91 1HB ALA 91 7.438 12.777 -2.517 267 2HB ALA 91 2HB ALA 91 7.571 13.374 -4.189 268 3HB ALA 91 3HB ALA 91 8.956 13.512 -3.088 269 HA PRO 92 HA PRO 92 3.327 16.235 -2.364 270 1HB PRO 92 1HB PRO 92 2.739 18.384 -4.022 271 2HB PRO 92 2HB PRO 92 3.594 18.519 -2.477 272 1HG PRO 92 1HG PRO 92 4.825 18.398 -5.276 273 2HG PRO 92 2HG PRO 92 5.188 19.554 -3.973 274 1HD PRO 92 1HD PRO 92 6.764 17.334 -4.432 275 2HD PRO 92 2HD PRO 92 6.497 17.944 -2.769 276 H GLY 93 H GLY 93 1.813 14.972 -3.147 277 1HA GLY 93 1HA GLY 93 0.401 13.794 -4.736 278 2HA GLY 93 2HA GLY 93 1.303 14.445 -6.081 279 H ASP 94 H ASP 94 3.434 12.987 -3.793 280 HA ASP 94 HA ASP 94 3.543 10.376 -5.389 281 1HB ASP 94 1HB ASP 94 5.691 11.702 -5.148 282 2HB ASP 94 2HB ASP 94 5.614 11.508 -3.405 283 H PHE 95 H PHE 95 2.377 8.825 -4.498 284 HA PHE 95 HA PHE 95 1.637 8.855 -1.536 285 1HB PHE 95 1HB PHE 95 0.386 7.435 -3.982 286 2HB PHE 95 2HB PHE 95 -0.079 7.098 -2.344 287 HD1 PHE 95 HD2 PHE 95 0.174 10.012 -4.774 288 HD2 PHE 95 HD1 PHE 95 -1.810 8.419 -1.303 289 HE1 PHE 95 HE2 PHE 95 -1.391 11.897 -4.786 290 HE2 PHE 95 HE1 PHE 95 -3.419 10.280 -1.396 291 HZ PHE 95 HZ PHE 95 -3.212 12.017 -3.128 292 H SER 96 H SER 96 1.923 6.987 -0.272 293 HA SER 96 HA SER 96 3.927 4.900 -1.357 294 1HB SER 96 1HB SER 96 4.211 6.264 1.379 295 2HB SER 96 2HB SER 96 5.234 5.000 0.704 296 HG SER 96 HG SER 96 4.780 7.564 -0.422 297 H LEU 97 H LEU 97 2.934 3.051 -1.326 298 HA LEU 97 HA LEU 97 0.843 2.189 0.663 299 1HB LEU 97 1HB LEU 97 0.693 1.519 -1.674 300 2HB LEU 97 2HB LEU 97 2.277 0.762 -1.632 301 HG LEU 97 HG LEU 97 1.297 -0.836 0.190 302 1HD1 LEU 97 2HD1 LEU 97 -0.805 0.382 0.748 303 2HD1 LEU 97 3HD1 LEU 97 -1.401 0.161 -0.919 304 3HD1 LEU 97 1HD1 LEU 97 -1.157 -1.246 0.142 305 1HD2 LEU 97 3HD2 LEU 97 1.838 -1.540 -2.156 306 2HD2 LEU 97 1HD2 LEU 97 0.420 -2.392 -1.530 307 3HD2 LEU 97 2HD2 LEU 97 0.210 -1.054 -2.690 308 H SER 98 H SER 98 1.607 1.915 2.585 309 HA SER 98 HA SER 98 4.223 0.484 3.328 310 1HB SER 98 1HB SER 98 2.216 1.728 5.231 311 2HB SER 98 2HB SER 98 3.842 1.170 5.610 312 HG SER 98 HG SER 98 3.158 3.266 3.826 313 H VAL 99 H VAL 99 3.722 -1.596 2.646 314 HA VAL 99 HA VAL 99 1.222 -2.965 3.772 315 HB VAL 99 HB VAL 99 1.015 -2.904 1.441 316 1HG1 VAL 99 1HG2 VAL 99 3.741 -4.291 1.069 317 2HG1 VAL 99 2HG2 VAL 99 2.533 -4.012 -0.211 318 3HG1 VAL 99 3HG2 VAL 99 3.304 -2.631 0.587 319 1HG2 VAL 99 2HG1 VAL 99 0.279 -5.033 2.617 320 2HG2 VAL 99 3HG1 VAL 99 0.676 -5.287 0.907 321 3HG2 VAL 99 1HG1 VAL 99 1.810 -5.782 2.182 322 H LYS 100 H LYS 100 1.496 -4.393 5.173 323 HA LYS 100 HA LYS 100 4.151 -5.473 6.079 324 1HB LYS 100 1HB LYS 100 2.520 -4.817 7.732 325 2HB LYS 100 2HB LYS 100 1.313 -5.929 7.135 326 1HG LYS 100 1HG LYS 100 3.991 -7.118 8.043 327 2HG LYS 100 2HG LYS 100 2.984 -6.380 9.266 328 1HD LYS 100 1HD LYS 100 1.025 -7.830 8.597 329 2HD LYS 100 2HD LYS 100 2.033 -8.627 7.383 330 1HE LYS 100 1HE LYS 100 3.610 -9.401 9.212 331 2HE LYS 100 2HE LYS 100 2.603 -8.606 10.431 332 1HZ LYS 100 3HZ LYS 100 1.700 -10.806 8.631 333 2HZ LYS 100 1HZ LYS 100 2.071 -10.955 10.234 334 3HZ LYS 100 2HZ LYS 100 0.760 -10.065 9.769 335 H PHE 101 H PHE 101 5.045 -7.344 5.518 336 HA PHE 101 HA PHE 101 3.394 -9.553 4.215 337 1HB PHE 101 1HB PHE 101 5.926 -8.327 2.966 338 2HB PHE 101 2HB PHE 101 5.284 -9.876 2.499 339 HD1 PHE 101 HD2 PHE 101 2.224 -9.178 2.379 340 HD2 PHE 101 HD1 PHE 101 5.755 -7.242 0.836 341 HE1 PHE 101 HE2 PHE 101 0.951 -8.368 0.465 342 HE2 PHE 101 HE1 PHE 101 4.448 -6.437 -1.079 343 HZ PHE 101 HZ PHE 101 2.050 -7.003 -1.273 344 H GLY 102 H GLY 102 3.707 -11.199 5.458 345 1HA GLY 102 1HA GLY 102 4.928 -13.050 6.432 346 2HA GLY 102 2HA GLY 102 6.452 -12.229 6.177 347 H ASN 103 H ASN 103 7.137 -10.752 7.719 348 HA ASN 103 HA ASN 103 5.489 -10.233 10.193 349 1HB ASN 103 1HB ASN 103 7.166 -10.695 11.810 350 2HB ASN 103 2HB ASN 103 6.938 -12.122 10.845 351 1HD2 ASN 103 1HD2 ASN 103 10.699 -10.699 11.172 352 2HD2 ASN 103 2HD2 ASN 103 9.267 -10.092 12.145 353 H ASP 104 H ASP 104 7.630 -8.983 7.918 354 HA ASP 104 HA ASP 104 8.178 -6.443 9.568 355 1HB ASP 104 1HB ASP 104 9.737 -7.532 7.133 356 2HB ASP 104 2HB ASP 104 10.048 -5.997 7.921 357 H VAL 105 H VAL 105 7.757 -4.496 8.718 358 HA VAL 105 HA VAL 105 5.747 -4.350 6.527 359 HB VAL 105 HB VAL 105 5.395 -3.225 8.723 360 1HG1 VAL 105 1HG2 VAL 105 7.523 -1.225 7.831 361 2HG1 VAL 105 2HG2 VAL 105 6.278 -0.918 9.063 362 3HG1 VAL 105 3HG2 VAL 105 7.477 -2.215 9.302 363 1HG2 VAL 105 1HG1 VAL 105 3.968 -2.716 6.792 364 2HG2 VAL 105 2HG1 VAL 105 4.227 -1.259 7.763 365 3HG2 VAL 105 3HG1 VAL 105 5.096 -1.470 6.219 366 H GLN 106 H GLN 106 6.096 -3.895 4.527 367 HA GLN 106 HA GLN 106 8.808 -2.796 3.590 368 1HB GLN 106 1HB GLN 106 6.829 -4.716 2.219 369 2HB GLN 106 2HB GLN 106 8.104 -3.878 1.342 370 1HG GLN 106 1HG GLN 106 9.875 -4.863 2.766 371 2HG GLN 106 2HG GLN 106 8.676 -5.672 3.764 372 1HE2 GLN 106 2HE2 GLN 106 9.561 -7.298 0.064 373 2HE2 GLN 106 1HE2 GLN 106 10.084 -5.596 0.506 374 H HIS 107 H HIS 107 8.758 -0.823 2.902 375 HA HIS 107 HA HIS 107 6.168 0.594 2.290 376 1HB HIS 107 1HB HIS 107 8.970 1.499 3.180 377 2HB HIS 107 2HB HIS 107 7.761 2.603 2.632 378 HD2 HIS 107 HD2 HIS 107 7.360 -0.430 5.164 379 HE1 HIS 107 HE1 HIS 107 5.792 2.840 7.053 380 HE2 HIS 107 HE2 HIS 107 6.261 0.414 7.386 381 H PHE 108 H PHE 108 5.722 0.147 0.258 382 HA PHE 108 HA PHE 108 7.696 0.458 -2.016 383 1HB PHE 108 1HB PHE 108 4.735 -0.435 -1.973 384 2HB PHE 108 2HB PHE 108 5.679 -0.294 -3.418 385 HD1 PHE 108 HD2 PHE 108 5.307 -2.278 -0.298 386 HD2 PHE 108 HD1 PHE 108 7.375 -1.977 -4.053 387 HE1 PHE 108 HE2 PHE 108 6.026 -4.623 -0.096 388 HE2 PHE 108 HE1 PHE 108 8.112 -4.316 -3.823 389 HZ PHE 108 HZ PHE 108 7.437 -5.643 -1.847 390 H LYS 109 H LYS 109 7.574 2.024 -3.553 391 HA LYS 109 HA LYS 109 5.970 4.521 -2.875 392 1HB LYS 109 1HB LYS 109 8.316 4.181 -4.832 393 2HB LYS 109 2HB LYS 109 7.481 5.687 -4.518 394 1HG LYS 109 1HG LYS 109 9.106 4.097 -2.439 395 2HG LYS 109 2HG LYS 109 9.652 5.507 -3.334 396 1HD LYS 109 1HD LYS 109 7.796 6.894 -2.262 397 2HD LYS 109 2HD LYS 109 7.328 5.478 -1.311 398 1HE LYS 109 1HE LYS 109 9.612 5.414 -0.232 399 2HE LYS 109 2HE LYS 109 10.113 6.816 -1.189 400 1HZ LYS 109 3HZ LYS 109 7.872 6.804 0.776 401 2HZ LYS 109 1HZ LYS 109 9.366 7.466 1.015 402 3HZ LYS 109 2HZ LYS 109 8.348 8.112 -0.115 403 H VAL 110 H VAL 110 4.120 4.735 -3.781 404 HA VAL 110 HA VAL 110 3.349 3.608 -6.473 405 HB VAL 110 HB VAL 110 1.717 5.249 -4.441 406 1HG1 VAL 110 1HG2 VAL 110 0.769 3.991 -7.088 407 2HG1 VAL 110 2HG2 VAL 110 -0.313 4.594 -5.800 408 3HG1 VAL 110 3HG2 VAL 110 0.753 5.713 -6.655 409 1HG2 VAL 110 2HG1 VAL 110 2.195 2.916 -3.629 410 2HG2 VAL 110 3HG1 VAL 110 0.480 3.107 -4.021 411 3HG2 VAL 110 1HG1 VAL 110 1.558 2.237 -5.145 412 H LEU 111 H LEU 111 3.754 4.688 -8.238 413 HA LEU 111 HA LEU 111 4.466 7.629 -8.242 414 1HB LEU 111 1HB LEU 111 4.663 5.545 -10.494 415 2HB LEU 111 2HB LEU 111 5.386 7.142 -10.503 416 HG LEU 111 HG LEU 111 6.132 4.845 -8.599 417 1HD1 LEU 111 3HD2 LEU 111 6.767 4.332 -10.951 418 2HD1 LEU 111 1HD2 LEU 111 7.636 5.880 -11.093 419 3HD1 LEU 111 2HD2 LEU 111 8.219 4.621 -9.973 420 1HD2 LEU 111 1HD1 LEU 111 7.552 7.575 -8.976 421 2HD2 LEU 111 2HD1 LEU 111 6.665 7.044 -7.526 422 3HD2 LEU 111 3HD1 LEU 111 8.162 6.221 -7.991 423 H ARG 112 H ARG 112 3.210 9.178 -9.167 424 HA ARG 112 HA ARG 112 0.719 8.355 -10.733 425 1HB ARG 112 1HB ARG 112 1.216 11.071 -9.409 426 2HB ARG 112 2HB ARG 112 -0.210 10.550 -10.290 427 1HG ARG 112 1HG ARG 112 -0.313 8.583 -8.466 428 2HG ARG 112 2HG ARG 112 0.756 9.620 -7.539 429 1HD ARG 112 1HD ARG 112 -2.107 10.176 -8.494 430 2HD ARG 112 2HD ARG 112 -1.541 9.984 -6.841 431 HE ARG 112 HE ARG 112 -0.150 12.298 -7.838 432 1HH1 ARG 112 2HH2 ARG 112 -3.532 11.387 -7.225 433 2HH1 ARG 112 1HH2 ARG 112 -3.967 13.146 -6.935 434 1HH2 ARG 112 1HH1 ARG 112 -0.755 14.261 -7.489 435 2HH2 ARG 112 2HH1 ARG 112 -2.497 14.663 -7.075 436 H ASP 113 H ASP 113 0.588 8.796 -12.828 437 HA ASP 113 HA ASP 113 2.694 10.541 -14.179 438 1HB ASP 113 1HB ASP 113 2.128 9.554 -16.301 439 2HB ASP 113 2HB ASP 113 2.682 8.390 -15.137 440 H GLY 114 H GLY 114 2.093 12.585 -14.070 441 1HA GLY 114 1HA GLY 114 1.056 14.504 -15.082 442 2HA GLY 114 2HA GLY 114 -0.222 13.514 -15.741 443 H ALA 115 H ALA 115 -2.159 13.618 -14.723 444 HA ALA 115 HA ALA 115 -2.541 15.609 -12.536 445 1HB ALA 115 2HB ALA 115 -4.053 15.638 -14.477 446 2HB ALA 115 3HB ALA 115 -4.651 14.004 -14.096 447 3HB ALA 115 1HB ALA 115 -4.968 15.356 -12.983 448 H GLY 116 H GLY 116 -3.957 12.292 -12.752 449 1HA GLY 116 1HA GLY 116 -2.750 11.531 -10.134 450 2HA GLY 116 2HA GLY 116 -4.492 11.771 -9.996 451 H LYS 117 H LYS 117 -2.021 10.071 -11.878 452 HA LYS 117 HA LYS 117 -3.996 7.801 -12.560 453 1HB LYS 117 1HB LYS 117 -1.633 8.969 -14.133 454 2HB LYS 117 2HB LYS 117 -2.275 7.393 -14.464 455 1HG LYS 117 1HG LYS 117 -3.184 8.859 -16.059 456 2HG LYS 117 2HG LYS 117 -4.505 8.287 -15.053 457 1HD LYS 117 1HD LYS 117 -4.711 10.410 -13.912 458 2HD LYS 117 2HD LYS 117 -3.185 11.025 -14.530 459 1HE LYS 117 1HE LYS 117 -5.665 10.397 -16.285 460 2HE LYS 117 2HE LYS 117 -5.309 11.982 -15.601 461 1HZ LYS 117 3HZ LYS 117 -3.227 12.026 -16.860 462 2HZ LYS 117 1HZ LYS 117 -3.538 10.540 -17.511 463 3HZ LYS 117 2HZ LYS 117 -4.518 11.821 -17.871 464 H TYR 118 H TYR 118 -3.582 6.692 -10.687 465 HA TYR 118 HA TYR 118 -0.925 6.333 -9.500 466 1HB TYR 118 1HB TYR 118 -3.535 4.843 -8.787 467 2HB TYR 118 2HB TYR 118 -2.079 4.838 -7.853 468 HD1 TYR 118 HD1 TYR 118 -4.713 7.246 -9.151 469 HD2 TYR 118 HD2 TYR 118 -1.844 6.381 -6.057 470 HE1 TYR 118 HE1 TYR 118 -5.604 9.083 -7.799 471 HE2 TYR 118 HE2 TYR 118 -2.788 8.184 -4.700 472 HH TYR 118 HH TYR 118 -5.474 10.198 -5.879 473 H PHE 119 H PHE 119 0.566 4.966 -10.182 474 HA PHE 119 HA PHE 119 -0.163 2.133 -11.052 475 1HB PHE 119 1HB PHE 119 1.248 2.031 -12.894 476 2HB PHE 119 2HB PHE 119 0.276 3.440 -13.129 477 HD1 PHE 119 HD2 PHE 119 1.318 5.788 -12.850 478 HD2 PHE 119 HD1 PHE 119 3.689 2.202 -12.856 479 HE1 PHE 119 HE2 PHE 119 3.332 7.111 -13.334 480 HE2 PHE 119 HE1 PHE 119 5.690 3.536 -13.377 481 HZ PHE 119 HZ PHE 119 5.517 5.991 -13.620 482 H LEU 120 H LEU 120 0.980 0.668 -9.970 483 HA LEU 120 HA LEU 120 3.514 1.473 -8.470 484 1HB LEU 120 1HB LEU 120 1.782 0.425 -7.046 485 2HB LEU 120 2HB LEU 120 1.813 -1.029 -8.029 486 HG LEU 120 HG LEU 120 4.194 -1.459 -7.373 487 1HD1 LEU 120 2HD1 LEU 120 5.014 0.886 -6.946 488 2HD1 LEU 120 3HD1 LEU 120 3.984 0.995 -5.496 489 3HD1 LEU 120 1HD1 LEU 120 5.330 -0.175 -5.580 490 1HD2 LEU 120 3HD2 LEU 120 2.397 -2.481 -6.001 491 2HD2 LEU 120 1HD2 LEU 120 3.774 -2.063 -4.972 492 3HD2 LEU 120 2HD2 LEU 120 2.315 -1.040 -4.957 493 H TRP 121 H TRP 121 2.330 -1.245 -10.564 494 HA TRP 121 HA TRP 121 5.133 -1.973 -11.379 495 1HB TRP 121 1HB TRP 121 2.411 -2.985 -12.388 496 2HB TRP 121 2HB TRP 121 3.940 -3.483 -13.066 497 HD1 TRP 121 HD1 TRP 121 4.816 -3.594 -9.464 498 HE1 TRP 121 HE1 TRP 121 4.601 -6.033 -8.493 499 HE3 TRP 121 HE3 TRP 121 1.928 -5.473 -13.237 500 HZ2 TRP 121 HZ2 TRP 121 3.324 -8.424 -9.448 501 HZ3 TRP 121 HZ3 TRP 121 1.239 -7.845 -13.146 502 HH2 TRP 121 HH2 TRP 121 1.936 -9.296 -11.283 503 H VAL 122 H VAL 122 2.546 -1.397 -13.742 504 HA VAL 122 HA VAL 122 4.005 0.931 -14.985 505 HB VAL 122 HB VAL 122 4.004 -0.067 -17.285 506 1HG1 VAL 122 3HG2 VAL 122 6.113 0.194 -15.979 507 2HG1 VAL 122 1HG2 VAL 122 5.953 -1.474 -15.376 508 3HG1 VAL 122 2HG2 VAL 122 6.176 -1.168 -17.114 509 1HG2 VAL 122 2HG1 VAL 122 2.520 -2.064 -17.041 510 2HG2 VAL 122 3HG1 VAL 122 4.116 -2.527 -17.647 511 3HG2 VAL 122 1HG1 VAL 122 3.694 -2.830 -15.945 512 H VAL 123 H VAL 123 1.164 -1.239 -15.305 513 HA VAL 123 HA VAL 123 -0.287 0.743 -16.951 514 HB VAL 123 HB VAL 123 -0.544 -1.658 -17.319 515 1HG1 VAL 123 1HG1 VAL 123 -0.577 -2.586 -14.977 516 2HG1 VAL 123 2HG1 VAL 123 -2.194 -1.889 -14.725 517 3HG1 VAL 123 3HG1 VAL 123 -1.948 -3.156 -15.947 518 1HG2 VAL 123 3HG2 VAL 123 -2.301 -0.093 -18.136 519 2HG2 VAL 123 1HG2 VAL 123 -2.962 -1.699 -17.774 520 3HG2 VAL 123 2HG2 VAL 123 -3.244 -0.349 -16.648 521 H LYS 124 H LYS 124 -1.639 2.254 -16.348 522 HA LYS 124 HA LYS 124 -1.758 2.941 -13.438 523 1HB LYS 124 1HB LYS 124 -2.206 5.205 -14.095 524 2HB LYS 124 2HB LYS 124 -0.833 4.565 -14.939 525 1HG LYS 124 1HG LYS 124 -1.922 5.929 -16.496 526 2HG LYS 124 2HG LYS 124 -2.256 4.299 -17.055 527 1HD LYS 124 1HD LYS 124 -4.586 4.420 -16.183 528 2HD LYS 124 2HD LYS 124 -4.249 5.940 -15.354 529 1HE LYS 124 1HE LYS 124 -3.836 7.052 -17.623 530 2HE LYS 124 2HE LYS 124 -4.221 5.521 -18.423 531 1HZ LYS 124 1HZ LYS 124 -6.445 5.626 -17.411 532 2HZ LYS 124 2HZ LYS 124 -6.082 7.059 -16.672 533 3HZ LYS 124 3HZ LYS 124 -6.147 6.972 -18.321 534 H PHE 125 H PHE 125 -3.474 4.014 -12.487 535 HA PHE 125 HA PHE 125 -6.285 2.965 -13.059 536 1HB PHE 125 1HB PHE 125 -4.697 2.384 -10.464 537 2HB PHE 125 2HB PHE 125 -6.398 2.121 -10.654 538 HD1 PHE 125 HD2 PHE 125 -7.258 0.269 -12.204 539 HD2 PHE 125 HD1 PHE 125 -3.062 0.806 -11.430 540 HE1 PHE 125 HE2 PHE 125 -6.784 -1.960 -13.136 541 HE2 PHE 125 HE1 PHE 125 -2.609 -1.428 -12.331 542 HZ PHE 125 HZ PHE 125 -4.463 -2.806 -13.224 543 H ASN 126 H ASN 126 -7.421 4.788 -12.910 544 HA ASN 126 HA ASN 126 -6.367 7.259 -12.086 545 1HB ASN 126 1HB ASN 126 -8.318 6.752 -13.705 546 2HB ASN 126 2HB ASN 126 -9.377 6.709 -12.317 547 1HD2 ASN 126 1HD2 ASN 126 -7.979 10.357 -13.695 548 2HD2 ASN 126 2HD2 ASN 126 -7.176 8.783 -14.190 549 H SER 127 H SER 127 -8.004 5.160 -9.776 550 HA SER 127 HA SER 127 -7.752 7.407 -7.702 551 1HB SER 127 1HB SER 127 -9.810 6.753 -6.627 552 2HB SER 127 2HB SER 127 -10.159 7.026 -8.328 553 HG SER 127 HG SER 127 -9.692 4.518 -7.072 554 H LEU 128 H LEU 128 -7.670 6.750 -5.547 555 HA LEU 128 HA LEU 128 -5.608 4.885 -4.732 556 1HB LEU 128 1HB LEU 128 -7.966 6.120 -3.181 557 2HB LEU 128 2HB LEU 128 -6.763 5.154 -2.375 558 HG LEU 128 HG LEU 128 -5.931 7.638 -3.979 559 1HD1 LEU 128 1HD2 LEU 128 -6.767 7.543 -1.013 560 2HD1 LEU 128 2HD2 LEU 128 -5.981 8.923 -1.821 561 3HD1 LEU 128 3HD2 LEU 128 -7.605 8.409 -2.321 562 1HD2 LEU 128 2HD1 LEU 128 -4.082 6.036 -3.347 563 2HD2 LEU 128 3HD1 LEU 128 -3.937 7.567 -2.470 564 3HD2 LEU 128 1HD1 LEU 128 -4.577 6.134 -1.636 565 H ASN 129 H ASN 129 -9.163 4.415 -4.603 566 HA ASN 129 HA ASN 129 -9.098 1.671 -3.590 567 1HB ASN 129 1HB ASN 129 -11.358 2.953 -5.232 568 2HB ASN 129 2HB ASN 129 -11.445 1.452 -4.339 569 1HD2 ASN 129 1HD2 ASN 129 -11.743 4.946 -2.189 570 2HD2 ASN 129 2HD2 ASN 129 -11.134 4.961 -3.919 571 H GLU 130 H GLU 130 -9.248 2.888 -6.990 572 HA GLU 130 HA GLU 130 -9.504 0.314 -8.299 573 1HB GLU 130 1HB GLU 130 -8.261 2.917 -9.350 574 2HB GLU 130 2HB GLU 130 -8.502 1.483 -10.342 575 1HG GLU 130 1HG GLU 130 -10.941 1.553 -10.087 576 2HG GLU 130 2HG GLU 130 -10.848 2.891 -8.951 577 H LEU 131 H LEU 131 -6.369 2.090 -7.666 578 HA LEU 131 HA LEU 131 -4.708 -0.071 -8.727 579 1HB LEU 131 1HB LEU 131 -3.792 2.216 -8.448 580 2HB LEU 131 2HB LEU 131 -3.967 2.107 -6.711 581 HG LEU 131 HG LEU 131 -2.278 0.222 -6.656 582 1HD1 LEU 131 2HD1 LEU 131 -2.472 -0.641 -9.033 583 2HD1 LEU 131 3HD1 LEU 131 -1.719 0.864 -9.623 584 3HD1 LEU 131 1HD1 LEU 131 -0.801 -0.254 -8.590 585 1HD2 LEU 131 3HD2 LEU 131 -1.615 2.596 -6.224 586 2HD2 LEU 131 1HD2 LEU 131 -0.296 1.628 -6.911 587 3HD2 LEU 131 2HD2 LEU 131 -1.175 2.775 -7.943 588 H VAL 132 H VAL 132 -5.676 0.573 -5.298 589 HA VAL 132 HA VAL 132 -4.185 -1.777 -4.387 590 HB VAL 132 HB VAL 132 -4.643 0.336 -3.028 591 1HG1 VAL 132 1HG2 VAL 132 -7.185 0.340 -3.091 592 2HG1 VAL 132 2HG2 VAL 132 -7.193 -1.135 -2.101 593 3HG1 VAL 132 3HG2 VAL 132 -6.511 0.372 -1.445 594 1HG2 VAL 132 3HG1 VAL 132 -3.415 -1.713 -2.250 595 2HG2 VAL 132 1HG1 VAL 132 -4.230 -0.825 -0.972 596 3HG2 VAL 132 2HG1 VAL 132 -4.940 -2.348 -1.578 597 H ASP 133 H ASP 133 -7.631 -1.458 -5.211 598 HA ASP 133 HA ASP 133 -8.343 -4.236 -4.461 599 1HB ASP 133 1HB ASP 133 -9.699 -2.323 -6.446 600 2HB ASP 133 2HB ASP 133 -10.265 -3.954 -6.147 601 H TYR 134 H TYR 134 -6.884 -2.876 -7.447 602 HA TYR 134 HA TYR 134 -6.741 -5.380 -8.943 603 1HB TYR 134 1HB TYR 134 -6.278 -3.397 -10.148 604 2HB TYR 134 2HB TYR 134 -5.117 -2.800 -9.011 605 HD1 TYR 134 HD1 TYR 134 -5.582 -5.593 -11.531 606 HD2 TYR 134 HD2 TYR 134 -2.773 -3.162 -9.356 607 HE1 TYR 134 HE1 TYR 134 -3.733 -6.521 -12.860 608 HE2 TYR 134 HE2 TYR 134 -0.941 -4.082 -10.704 609 HH TYR 134 HH TYR 134 -1.543 -6.517 -13.233 610 H HIS 135 H HIS 135 -4.247 -4.010 -6.655 611 HA HIS 135 HA HIS 135 -2.868 -6.645 -6.602 612 1HB HIS 135 1HB HIS 135 -2.204 -4.029 -5.177 613 2HB HIS 135 2HB HIS 135 -1.391 -5.511 -4.743 614 HD2 HIS 135 HD2 HIS 135 -0.038 -2.888 -6.273 615 HE1 HIS 135 HE1 HIS 135 0.998 -5.781 -9.055 616 HE2 HIS 135 HE2 HIS 135 1.595 -3.402 -8.291 617 H ARG 136 H ARG 136 -5.587 -5.830 -4.924 618 HA ARG 136 HA ARG 136 -5.084 -7.807 -2.684 619 1HB ARG 136 1HB ARG 136 -7.592 -6.306 -3.625 620 2HB ARG 136 2HB ARG 136 -7.668 -7.559 -2.404 621 1HG ARG 136 1HG ARG 136 -6.325 -6.376 -0.815 622 2HG ARG 136 2HG ARG 136 -5.658 -5.288 -2.006 623 1HD ARG 136 1HD ARG 136 -7.176 -4.019 -0.651 624 2HD ARG 136 2HD ARG 136 -7.798 -4.086 -2.272 625 HE ARG 136 HE ARG 136 -9.764 -5.113 -1.484 626 1HH1 ARG 136 2HH2 ARG 136 -7.286 -5.510 1.035 627 2HH1 ARG 136 1HH2 ARG 136 -8.556 -6.121 2.210 628 1HH2 ARG 136 1HH1 ARG 136 -11.119 -5.854 -0.071 629 2HH2 ARG 136 2HH1 ARG 136 -10.578 -6.302 1.624 630 H SER 137 H SER 137 -5.948 -8.042 -6.022 631 HA SER 137 HA SER 137 -6.691 -10.963 -5.722 632 1HB SER 137 1HB SER 137 -7.269 -9.119 -8.117 633 2HB SER 137 2HB SER 137 -7.550 -10.863 -8.087 634 HG SER 137 HG SER 137 -8.670 -8.973 -6.294 635 H THR 138 H THR 138 -4.680 -8.699 -7.660 636 HA THR 138 HA THR 138 -2.842 -10.924 -8.598 637 HB THR 138 HB THR 138 -2.836 -7.861 -9.109 638 HG1 THR 138 HG1 THR 138 -4.549 -9.044 -10.004 639 1HG2 THR 138 1HG2 THR 138 -1.094 -9.997 -10.503 640 2HG2 THR 138 2HG2 THR 138 -1.322 -8.323 -11.069 641 3HG2 THR 138 3HG2 THR 138 -0.519 -8.623 -9.526 642 H SER 139 H SER 139 -0.605 -10.908 -8.114 643 HA SER 139 HA SER 139 0.077 -10.155 -5.291 644 1HB SER 139 1HB SER 139 0.750 -12.345 -6.307 645 2HB SER 139 2HB SER 139 1.797 -11.509 -7.466 646 HG SER 139 HG SER 139 2.883 -12.186 -5.610 647 H VAL 140 H VAL 140 1.626 -8.798 -4.608 648 HA VAL 140 HA VAL 140 2.590 -6.512 -6.333 649 HB VAL 140 HB VAL 140 3.110 -7.181 -3.380 650 1HG1 VAL 140 3HG1 VAL 140 4.081 -4.675 -4.897 651 2HG1 VAL 140 1HG1 VAL 140 4.120 -4.901 -3.126 652 3HG1 VAL 140 2HG1 VAL 140 5.104 -5.936 -4.164 653 1HG2 VAL 140 3HG2 VAL 140 0.784 -6.370 -3.832 654 2HG2 VAL 140 1HG2 VAL 140 1.703 -5.157 -2.920 655 3HG2 VAL 140 2HG2 VAL 140 1.420 -4.930 -4.662 656 H SER 141 H SER 141 4.094 -9.280 -4.541 657 HA SER 141 HA SER 141 6.693 -8.972 -6.123 658 1HB SER 141 1HB SER 141 6.894 -9.353 -3.656 659 2HB SER 141 2HB SER 141 6.026 -10.877 -3.801 660 HG SER 141 HG SER 141 7.660 -11.569 -5.254 661 H ARG 142 H ARG 142 6.315 -9.725 -8.128 662 HA ARG 142 HA ARG 142 4.381 -11.690 -8.904 663 1HB ARG 142 1HB ARG 142 5.004 -11.519 -11.094 664 2HB ARG 142 2HB ARG 142 5.124 -9.937 -10.384 665 1HG ARG 142 1HG ARG 142 7.429 -11.813 -11.116 666 2HG ARG 142 2HG ARG 142 6.885 -10.416 -12.031 667 1HD ARG 142 1HD ARG 142 8.287 -10.379 -9.288 668 2HD ARG 142 2HD ARG 142 9.017 -9.953 -10.828 669 HE ARG 142 HE ARG 142 7.015 -8.066 -10.817 670 1HH1 ARG 142 2HH2 ARG 142 9.182 -9.004 -8.155 671 2HH1 ARG 142 1HH2 ARG 142 9.065 -7.313 -7.451 672 1HH2 ARG 142 1HH1 ARG 142 6.959 -6.182 -9.925 673 2HH2 ARG 142 2HH1 ARG 142 7.893 -5.828 -8.386 674 H ASN 143 H ASN 143 7.829 -12.362 -8.313 675 HA ASN 143 HA ASN 143 7.612 -15.181 -9.199 676 1HB ASN 143 1HB ASN 143 9.881 -15.534 -8.458 677 2HB ASN 143 2HB ASN 143 9.722 -14.172 -9.524 678 1HD2 ASN 143 1HD2 ASN 143 11.065 -11.840 -7.094 679 2HD2 ASN 143 2HD2 ASN 143 10.120 -12.031 -8.656 680 H GLN 144 H GLN 144 8.211 -13.938 -5.860 681 HA GLN 144 HA GLN 144 6.841 -16.428 -4.705 682 1HB GLN 144 1HB GLN 144 8.443 -14.186 -3.320 683 2HB GLN 144 2HB GLN 144 7.584 -15.464 -2.472 684 1HG GLN 144 1HG GLN 144 8.994 -17.222 -3.566 685 2HG GLN 144 2HG GLN 144 9.850 -16.008 -4.500 686 1HE2 GLN 144 2HE2 GLN 144 11.991 -15.094 -1.734 687 2HE2 GLN 144 1HE2 GLN 144 11.421 -14.715 -3.437 688 H GLN 145 H GLN 145 4.696 -16.104 -4.923 689 HA GLN 145 HA GLN 145 3.529 -13.445 -5.099 690 1HB GLN 145 1HB GLN 145 2.109 -16.148 -5.125 691 2HB GLN 145 2HB GLN 145 1.309 -14.599 -5.346 692 1HG GLN 145 1HG GLN 145 2.895 -14.088 -7.312 693 2HG GLN 145 2HG GLN 145 3.513 -15.723 -7.174 694 1HE2 GLN 145 2HE2 GLN 145 -0.069 -15.157 -9.056 695 2HE2 GLN 145 1HE2 GLN 145 0.906 -13.781 -8.333 696 H ILE 146 H ILE 146 3.030 -12.147 -3.570 697 HA ILE 146 HA ILE 146 1.805 -13.146 -0.961 698 HB ILE 146 HB ILE 146 3.124 -10.433 -0.840 699 1HG1 ILE 146 1HG1 ILE 146 4.974 -11.447 -1.947 700 2HG1 ILE 146 2HG1 ILE 146 5.329 -10.994 -0.302 701 1HG2 ILE 146 2HG2 ILE 146 1.902 -11.387 1.117 702 2HG2 ILE 146 3HG2 ILE 146 2.946 -12.824 1.131 703 3HG2 ILE 146 1HG2 ILE 146 3.620 -11.235 1.527 704 1HD1 ILE 146 3HD1 ILE 146 4.879 -13.903 -1.250 705 2HD1 ILE 146 1HD1 ILE 146 6.441 -13.127 -0.924 706 3HD1 ILE 146 2HD1 ILE 146 5.301 -13.409 0.413 707 H PHE 147 H PHE 147 -0.059 -12.250 -0.399 708 HA PHE 147 HA PHE 147 -1.336 -10.194 -2.297 709 1HB PHE 147 1HB PHE 147 -2.690 -12.586 -0.908 710 2HB PHE 147 2HB PHE 147 -3.503 -11.406 -1.899 711 HD1 PHE 147 HD1 PHE 147 -2.902 -11.196 -4.418 712 HD2 PHE 147 HD2 PHE 147 -1.467 -14.445 -1.981 713 HE1 PHE 147 HE1 PHE 147 -2.345 -12.497 -6.441 714 HE2 PHE 147 HE2 PHE 147 -0.929 -15.716 -4.023 715 HZ PHE 147 HZ PHE 147 -1.372 -14.748 -6.243 716 H LEU 148 H LEU 148 -2.926 -8.844 -1.550 717 HA LEU 148 HA LEU 148 -2.193 -7.636 1.069 718 1HB LEU 148 1HB LEU 148 -3.704 -6.694 -1.414 719 2HB LEU 148 2HB LEU 148 -4.012 -5.861 0.073 720 HG LEU 148 HG LEU 148 -1.607 -5.344 0.387 721 1HD1 LEU 148 3HD2 LEU 148 -0.514 -7.171 -0.952 722 2HD1 LEU 148 1HD2 LEU 148 -1.196 -6.503 -2.453 723 3HD1 LEU 148 2HD2 LEU 148 -0.004 -5.572 -1.505 724 1HD2 LEU 148 2HD1 LEU 148 -3.156 -3.717 -0.679 725 2HD2 LEU 148 3HD1 LEU 148 -1.539 -3.569 -1.380 726 3HD2 LEU 148 1HD1 LEU 148 -2.827 -4.398 -2.291 727 H ARG 149 H ARG 149 -3.350 -7.269 2.803 728 HA ARG 149 HA ARG 149 -6.269 -8.155 3.060 729 1HB ARG 149 1HB ARG 149 -3.917 -8.468 5.062 730 2HB ARG 149 2HB ARG 149 -5.586 -8.811 5.449 731 1HG ARG 149 1HG ARG 149 -3.970 -10.298 3.290 732 2HG ARG 149 2HG ARG 149 -4.140 -10.844 4.940 733 1HD ARG 149 1HD ARG 149 -6.499 -10.443 2.989 734 2HD ARG 149 2HD ARG 149 -5.669 -11.978 3.268 735 HE ARG 149 HE ARG 149 -6.464 -11.125 5.888 736 1HH1 ARG 149 2HH2 ARG 149 -8.172 -11.922 2.874 737 2HH1 ARG 149 1HH2 ARG 149 -9.658 -12.414 3.832 738 1HH2 ARG 149 1HH1 ARG 149 -8.204 -11.709 6.874 739 2HH2 ARG 149 2HH1 ARG 149 -9.672 -12.301 5.946 740 H ASP 150 H ASP 150 -7.566 -6.832 4.272 741 HA ASP 150 HA ASP 150 -6.655 -4.054 4.826 742 1HB ASP 150 1HB ASP 150 -8.967 -4.673 3.934 743 2HB ASP 150 2HB ASP 150 -9.386 -5.305 5.516 744 H ILE 151 H ILE 151 -6.390 -3.062 6.753 745 HA ILE 151 HA ILE 151 -5.218 -4.562 8.928 746 HB ILE 151 HB ILE 151 -5.127 -2.378 10.206 747 1HG1 ILE 151 1HG1 ILE 151 -6.289 -0.999 7.711 748 2HG1 ILE 151 2HG1 ILE 151 -7.237 -1.330 9.147 749 1HG2 ILE 151 3HG2 ILE 151 -3.974 -2.401 7.367 750 2HG2 ILE 151 1HG2 ILE 151 -3.426 -1.335 8.682 751 3HG2 ILE 151 2HG2 ILE 151 -3.247 -3.085 8.838 752 1HD1 ILE 151 1HD1 ILE 151 -5.632 0.065 10.551 753 2HD1 ILE 151 2HD1 ILE 151 -4.777 0.519 9.050 754 3HD1 ILE 151 3HD1 ILE 151 -6.480 0.972 9.280 755 H GLU 152 H GLU 152 -5.731 -4.920 11.030 756 HA GLU 152 HA GLU 152 -8.651 -5.261 11.695 757 1HB GLU 152 1HB GLU 152 -6.852 -7.048 12.192 758 2HB GLU 152 2HB GLU 152 -6.196 -5.983 13.408 759 1HG GLU 152 1HG GLU 152 -7.568 -7.543 14.577 760 2HG GLU 152 2HG GLU 152 -8.464 -6.041 14.628 761 HXT GLU 152 HO OH 153 -9.632 -3.723 12.414 No H/Q in entry = 761 Start of MODEL 19 1 1H GLY 58 1H GLY 58 -14.284 0.998 1.873 2 2H GLY 58 2H GLY 58 -13.949 1.346 3.435 3 1HA GLY 58 1HA GLY 58 -12.210 -0.030 2.461 4 2HA GLY 58 2HA GLY 58 -11.983 1.201 1.221 5 H SER 59 H SER 59 -11.485 0.410 4.574 6 HA SER 59 HA SER 59 -10.284 3.072 5.295 7 1HB SER 59 1HB SER 59 -11.778 1.838 6.870 8 2HB SER 59 2HB SER 59 -10.600 0.524 6.995 9 HG SER 59 HG SER 59 -10.173 3.264 7.619 10 H TRP 60 H TRP 60 -8.475 3.212 3.994 11 HA TRP 60 HA TRP 60 -6.035 1.712 4.941 12 1HB TRP 60 1HB TRP 60 -5.239 1.412 2.566 13 2HB TRP 60 2HB TRP 60 -6.446 0.325 3.178 14 HD1 TRP 60 HD1 TRP 60 -6.552 3.644 1.085 15 HE1 TRP 60 HE1 TRP 60 -8.264 3.455 -0.936 16 HE3 TRP 60 HE3 TRP 60 -8.266 -0.979 2.279 17 HZ2 TRP 60 HZ2 TRP 60 -10.105 1.410 -1.724 18 HZ3 TRP 60 HZ3 TRP 60 -10.049 -1.993 0.901 19 HH2 TRP 60 HH2 TRP 60 -10.945 -0.828 -1.071 20 H PHE 61 H PHE 61 -7.164 4.545 3.046 21 HA PHE 61 HA PHE 61 -4.465 5.800 3.263 22 1HB PHE 61 1HB PHE 61 -5.900 6.118 1.235 23 2HB PHE 61 2HB PHE 61 -7.070 7.015 2.172 24 HD1 PHE 61 HD2 PHE 61 -3.394 6.979 1.274 25 HD2 PHE 61 HD1 PHE 61 -6.743 9.431 2.380 26 HE1 PHE 61 HE2 PHE 61 -2.025 8.995 0.953 27 HE2 PHE 61 HE1 PHE 61 -5.371 11.446 2.032 28 HZ PHE 61 HZ PHE 61 -3.016 11.237 1.318 29 H PHE 62 H PHE 62 -3.812 7.009 4.878 30 HA PHE 62 HA PHE 62 -5.832 8.233 6.874 31 1HB PHE 62 1HB PHE 62 -3.322 6.743 7.735 32 2HB PHE 62 2HB PHE 62 -4.444 7.561 8.786 33 HD1 PHE 62 HD1 PHE 62 -7.111 6.725 8.321 34 HD2 PHE 62 HD2 PHE 62 -3.552 4.377 7.741 35 HE1 PHE 62 HE1 PHE 62 -8.436 4.659 8.476 36 HE2 PHE 62 HE2 PHE 62 -4.897 2.320 7.915 37 HZ PHE 62 HZ PHE 62 -7.334 2.458 8.261 38 H GLY 63 H GLY 63 -5.431 10.077 5.504 39 1HA GLY 63 1HA GLY 63 -4.604 12.282 5.261 40 2HA GLY 63 2HA GLY 63 -4.037 12.109 6.907 41 H LYS 64 H LYS 64 -1.938 12.337 7.158 42 HA LYS 64 HA LYS 64 0.035 11.201 5.250 43 1HB LYS 64 1HB LYS 64 1.445 12.992 4.783 44 2HB LYS 64 2HB LYS 64 -0.158 13.463 4.277 45 1HG LYS 64 1HG LYS 64 -0.366 14.999 6.260 46 2HG LYS 64 2HG LYS 64 1.234 14.496 6.820 47 1HD LYS 64 1HD LYS 64 2.250 15.294 4.628 48 2HD LYS 64 2HD LYS 64 0.663 15.897 4.136 49 1HE LYS 64 1HE LYS 64 0.629 17.445 6.153 50 2HE LYS 64 2HE LYS 64 2.204 16.819 6.664 51 1HZ LYS 64 1HZ LYS 64 3.149 17.647 4.573 52 2HZ LYS 64 2HZ LYS 64 1.681 18.233 4.094 53 3HZ LYS 64 3HZ LYS 64 2.433 18.872 5.418 54 H ILE 65 H ILE 65 1.036 9.888 6.560 55 HA ILE 65 HA ILE 65 1.877 10.841 9.334 56 HB ILE 65 HB ILE 65 1.630 8.628 10.264 57 1HG1 ILE 65 1HG1 ILE 65 0.206 7.747 7.689 58 2HG1 ILE 65 2HG1 ILE 65 1.832 7.266 8.155 59 1HG2 ILE 65 1HG2 ILE 65 -0.169 10.349 10.519 60 2HG2 ILE 65 2HG2 ILE 65 -1.034 9.657 9.128 61 3HG2 ILE 65 3HG2 ILE 65 -0.803 8.698 10.610 62 1HD1 ILE 65 2HD1 ILE 65 0.952 6.162 10.246 63 2HD1 ILE 65 3HD1 ILE 65 -0.714 6.543 9.722 64 3HD1 ILE 65 1HD1 ILE 65 0.305 5.462 8.744 65 HA PRO 66 HA PRO 66 6.147 9.670 8.211 66 1HB PRO 66 1HB PRO 66 6.295 8.544 11.069 67 2HB PRO 66 2HB PRO 66 7.439 9.611 10.233 68 1HG PRO 66 1HG PRO 66 5.714 10.637 12.057 69 2HG PRO 66 2HG PRO 66 6.003 11.528 10.539 70 1HD PRO 66 1HD PRO 66 3.601 9.743 11.238 71 2HD PRO 66 2HD PRO 66 3.646 11.330 10.416 72 H ARG 67 H ARG 67 7.639 7.862 8.080 73 HA ARG 67 HA ARG 67 6.491 5.226 7.436 74 1HB ARG 67 1HB ARG 67 8.551 6.235 6.410 75 2HB ARG 67 2HB ARG 67 9.449 5.989 7.887 76 1HG ARG 67 1HG ARG 67 9.346 3.581 7.713 77 2HG ARG 67 2HG ARG 67 8.074 3.600 6.517 78 1HD ARG 67 1HD ARG 67 10.928 4.648 5.964 79 2HD ARG 67 2HD ARG 67 10.397 2.986 5.679 80 HE ARG 67 HE ARG 67 8.599 4.925 4.320 81 1HH1 ARG 67 2HH2 ARG 67 11.703 3.231 3.951 82 2HH1 ARG 67 1HH2 ARG 67 11.596 3.408 2.127 83 1HH2 ARG 67 1HH1 ARG 67 8.581 5.069 2.241 84 2HH2 ARG 67 2HH1 ARG 67 9.945 4.379 1.227 85 H ALA 68 H ALA 68 8.090 6.457 10.277 86 HA ALA 68 HA ALA 68 8.261 3.904 11.823 87 1HB ALA 68 2HB ALA 68 9.776 5.787 12.398 88 2HB ALA 68 3HB ALA 68 8.389 6.805 12.864 89 3HB ALA 68 1HB ALA 68 8.781 5.340 13.795 90 H LYS 69 H LYS 69 5.853 6.573 11.741 91 HA LYS 69 HA LYS 69 4.004 5.352 13.688 92 1HB LYS 69 1HB LYS 69 4.054 7.818 13.003 93 2HB LYS 69 2HB LYS 69 3.388 7.368 11.451 94 1HG LYS 69 1HG LYS 69 1.623 8.258 12.846 95 2HG LYS 69 2HG LYS 69 1.283 6.572 12.539 96 1HD LYS 69 1HD LYS 69 0.720 7.072 14.851 97 2HD LYS 69 2HD LYS 69 2.045 5.935 14.823 98 1HE LYS 69 1HE LYS 69 2.486 7.526 16.590 99 2HE LYS 69 2HE LYS 69 3.687 7.818 15.341 100 1HZ LYS 69 3HZ LYS 69 1.203 9.422 15.756 101 2HZ LYS 69 1HZ LYS 69 2.735 9.882 16.169 102 3HZ LYS 69 2HZ LYS 69 2.324 9.714 14.578 103 H ALA 70 H ALA 70 4.347 4.978 10.182 104 HA ALA 70 HA ALA 70 1.877 3.346 9.763 105 1HB ALA 70 3HB ALA 70 4.390 3.700 8.014 106 2HB ALA 70 1HB ALA 70 2.918 2.828 7.517 107 3HB ALA 70 2HB ALA 70 2.839 4.565 7.864 108 H GLU 71 H GLU 71 5.314 2.530 10.301 109 HA GLU 71 HA GLU 71 4.980 -0.409 10.320 110 1HB GLU 71 1HB GLU 71 7.163 1.386 11.538 111 2HB GLU 71 2HB GLU 71 7.234 -0.370 11.543 112 1HG GLU 71 1HG GLU 71 7.289 -0.485 9.073 113 2HG GLU 71 2HG GLU 71 7.035 1.242 8.922 114 H GLU 72 H GLU 72 4.840 2.027 12.952 115 HA GLU 72 HA GLU 72 4.489 0.203 15.183 116 1HB GLU 72 1HB GLU 72 5.123 2.620 15.340 117 2HB GLU 72 2HB GLU 72 3.513 3.099 14.817 118 1HG GLU 72 1HG GLU 72 2.554 2.020 16.933 119 2HG GLU 72 2HG GLU 72 4.188 1.582 17.427 120 H MET 73 H MET 73 1.854 1.985 13.353 121 HA MET 73 HA MET 73 -0.351 0.658 14.555 122 1HB MET 73 1HB MET 73 -0.251 2.826 13.214 123 2HB MET 73 2HB MET 73 -0.063 1.897 11.741 124 1HG MET 73 1HG MET 73 -2.380 2.712 12.122 125 2HG MET 73 2HG MET 73 -2.308 0.943 11.990 126 1HE MET 73 3HE MET 73 -2.615 4.038 14.465 127 2HE MET 73 2HE MET 73 -2.946 3.248 16.038 128 3HE MET 73 1HE MET 73 -1.312 3.160 15.325 129 H LEU 74 H LEU 74 1.386 -0.330 11.548 130 HA LEU 74 HA LEU 74 -0.325 -2.753 11.194 131 1HB LEU 74 1HB LEU 74 2.254 -1.895 9.791 132 2HB LEU 74 2HB LEU 74 1.451 -3.409 9.446 133 HG LEU 74 HG LEU 74 0.127 -0.664 9.098 134 1HD1 LEU 74 3HD1 LEU 74 1.368 -2.539 6.987 135 2HD1 LEU 74 1HD1 LEU 74 0.421 -1.072 6.649 136 3HD1 LEU 74 2HD1 LEU 74 1.969 -0.932 7.491 137 1HD2 LEU 74 2HD2 LEU 74 -0.889 -3.467 8.270 138 2HD2 LEU 74 3HD2 LEU 74 -1.645 -2.371 9.447 139 3HD2 LEU 74 1HD2 LEU 74 -1.615 -1.929 7.739 140 H SER 75 H SER 75 2.536 -2.238 13.142 141 HA SER 75 HA SER 75 3.285 -5.069 13.441 142 1HB SER 75 1HB SER 75 4.750 -3.198 14.220 143 2HB SER 75 2HB SER 75 3.595 -2.793 15.497 144 HG SER 75 HG SER 75 4.876 -5.303 15.120 145 H LYS 76 H LYS 76 0.782 -3.088 15.020 146 HA LYS 76 HA LYS 76 -0.298 -5.076 16.901 147 1HB LYS 76 1HB LYS 76 -1.712 -2.762 15.435 148 2HB LYS 76 2HB LYS 76 -2.431 -3.686 16.734 149 1HG LYS 76 1HG LYS 76 -0.911 -2.819 18.411 150 2HG LYS 76 2HG LYS 76 0.196 -2.176 17.211 151 1HD LYS 76 1HD LYS 76 -0.985 -0.321 18.146 152 2HD LYS 76 2HD LYS 76 -1.448 -0.481 16.457 153 1HE LYS 76 1HE LYS 76 -3.637 -1.581 17.163 154 2HE LYS 76 2HE LYS 76 -3.155 -1.443 18.860 155 1HZ LYS 76 2HZ LYS 76 -3.528 0.854 16.996 156 2HZ LYS 76 3HZ LYS 76 -4.585 0.386 18.176 157 3HZ LYS 76 1HZ LYS 76 -3.099 0.980 18.586 158 H GLN 77 H GLN 77 -0.984 -4.475 13.440 159 HA GLN 77 HA GLN 77 -3.067 -6.551 13.127 160 1HB GLN 77 1HB GLN 77 -1.347 -4.938 11.152 161 2HB GLN 77 2HB GLN 77 -2.160 -6.367 10.586 162 1HG GLN 77 1HG GLN 77 -3.554 -4.526 10.068 163 2HG GLN 77 2HG GLN 77 -4.347 -5.562 11.221 164 1HE2 GLN 77 2HE2 GLN 77 -3.959 -1.656 12.170 165 2HE2 GLN 77 1HE2 GLN 77 -3.504 -2.373 10.543 166 H ARG 78 H ARG 78 -2.673 -8.526 13.500 167 HA ARG 78 HA ARG 78 -0.075 -9.961 13.201 168 1HB ARG 78 1HB ARG 78 -1.224 -11.899 14.068 169 2HB ARG 78 2HB ARG 78 -1.667 -10.499 15.010 170 1HG ARG 78 1HG ARG 78 -3.867 -10.382 13.606 171 2HG ARG 78 2HG ARG 78 -3.427 -11.920 12.895 172 1HD ARG 78 1HD ARG 78 -3.891 -11.394 15.904 173 2HD ARG 78 2HD ARG 78 -5.080 -12.066 14.784 174 HE ARG 78 HE ARG 78 -2.790 -13.813 14.602 175 1HH1 ARG 78 2HH2 ARG 78 -5.153 -12.876 17.091 176 2HH1 ARG 78 1HH2 ARG 78 -4.951 -14.502 17.915 177 1HH2 ARG 78 1HH1 ARG 78 -2.640 -15.629 15.623 178 2HH2 ARG 78 2HH1 ARG 78 -3.623 -15.955 17.138 179 H HIS 79 H HIS 79 -2.563 -9.379 10.886 180 HA HIS 79 HA HIS 79 -2.335 -11.974 9.490 181 1HB HIS 79 1HB HIS 79 -3.850 -9.448 8.604 182 2HB HIS 79 2HB HIS 79 -4.044 -11.050 7.935 183 HD2 HIS 79 HD2 HIS 79 -4.822 -13.041 9.982 184 HE1 HIS 79 HE1 HIS 79 -6.971 -10.246 12.185 185 HE2 HIS 79 HE2 HIS 79 -6.631 -12.779 11.909 186 H ASP 80 H ASP 80 -1.546 -12.471 7.601 187 HA ASP 80 HA ASP 80 0.588 -10.928 6.222 188 1HB ASP 80 1HB ASP 80 0.618 -13.414 6.456 189 2HB ASP 80 2HB ASP 80 -0.896 -13.572 5.586 190 H GLY 81 H GLY 81 0.334 -9.510 4.557 191 1HA GLY 81 1HA GLY 81 -0.675 -8.594 2.543 192 2HA GLY 81 2HA GLY 81 -2.152 -9.482 2.804 193 H ALA 82 H ALA 82 -1.883 -8.250 5.800 194 HA ALA 82 HA ALA 82 -3.937 -6.228 5.367 195 1HB ALA 82 3HB ALA 82 -2.236 -6.780 7.885 196 2HB ALA 82 1HB ALA 82 -3.675 -5.738 7.834 197 3HB ALA 82 2HB ALA 82 -3.833 -7.466 7.480 198 H PHE 83 H PHE 83 -3.737 -4.166 4.702 199 HA PHE 83 HA PHE 83 -0.989 -2.798 4.933 200 1HB PHE 83 1HB PHE 83 -0.948 -2.192 2.690 201 2HB PHE 83 2HB PHE 83 -1.362 -3.865 2.703 202 HD1 PHE 83 HD1 PHE 83 -3.728 -4.566 2.047 203 HD2 PHE 83 HD2 PHE 83 -2.523 -0.454 1.858 204 HE1 PHE 83 HE1 PHE 83 -5.840 -3.992 0.903 205 HE2 PHE 83 HE2 PHE 83 -4.587 0.092 0.639 206 HZ PHE 83 HZ PHE 83 -6.273 -1.655 0.227 207 H LEU 84 H LEU 84 -0.853 -0.600 4.742 208 HA LEU 84 HA LEU 84 -3.326 1.102 4.646 209 1HB LEU 84 1HB LEU 84 -2.914 2.533 6.459 210 2HB LEU 84 2HB LEU 84 -2.976 0.899 7.042 211 HG LEU 84 HG LEU 84 -0.298 1.043 7.033 212 1HD1 LEU 84 3HD1 LEU 84 -1.017 4.056 7.095 213 2HD1 LEU 84 1HD1 LEU 84 0.549 3.370 7.580 214 3HD1 LEU 84 2HD1 LEU 84 0.032 3.257 5.906 215 1HD2 LEU 84 3HD2 LEU 84 -1.732 0.827 9.087 216 2HD2 LEU 84 1HD2 LEU 84 -0.342 1.889 9.366 217 3HD2 LEU 84 2HD2 LEU 84 -1.963 2.592 9.124 218 H ILE 85 H ILE 85 -3.052 2.871 3.428 219 HA ILE 85 HA ILE 85 -0.339 3.321 2.091 220 HB ILE 85 HB ILE 85 -3.162 4.269 1.349 221 1HG1 ILE 85 1HG1 ILE 85 -1.246 2.397 -0.189 222 2HG1 ILE 85 2HG1 ILE 85 -2.399 1.772 0.971 223 1HG2 ILE 85 2HG2 ILE 85 -1.477 6.033 0.678 224 2HG2 ILE 85 3HG2 ILE 85 -0.522 4.812 -0.177 225 3HG2 ILE 85 1HG2 ILE 85 -2.170 5.230 -0.729 226 1HD1 ILE 85 2HD1 ILE 85 -4.313 2.743 -0.349 227 2HD1 ILE 85 3HD1 ILE 85 -3.132 3.224 -1.608 228 3HD1 ILE 85 1HD1 ILE 85 -3.359 1.508 -1.209 229 H ARG 86 H ARG 86 0.884 4.796 3.000 230 HA ARG 86 HA ARG 86 -0.243 7.210 4.509 231 1HB ARG 86 1HB ARG 86 2.001 7.613 5.381 232 2HB ARG 86 2HB ARG 86 1.377 6.056 5.862 233 1HG ARG 86 1HG ARG 86 2.863 4.843 4.388 234 2HG ARG 86 2HG ARG 86 3.327 6.264 3.482 235 1HD ARG 86 1HD ARG 86 3.931 6.089 6.490 236 2HD ARG 86 2HD ARG 86 4.940 5.239 5.348 237 HE ARG 86 HE ARG 86 4.717 8.244 5.671 238 1HH1 ARG 86 2HH2 ARG 86 6.226 5.592 3.845 239 2HH1 ARG 86 1HH2 ARG 86 7.602 6.704 3.356 240 1HH2 ARG 86 1HH1 ARG 86 6.328 9.405 5.060 241 2HH2 ARG 86 2HH1 ARG 86 7.653 8.711 3.998 242 H GLU 87 H GLU 87 0.333 9.261 3.943 243 HA GLU 87 HA GLU 87 1.547 9.747 1.170 244 1HB GLU 87 1HB GLU 87 -0.662 10.784 1.601 245 2HB GLU 87 2HB GLU 87 -0.026 11.638 2.992 246 1HG GLU 87 1HG GLU 87 1.589 12.879 1.423 247 2HG GLU 87 2HG GLU 87 0.845 12.052 0.060 248 H SER 88 H SER 88 3.478 10.710 1.020 249 HA SER 88 HA SER 88 5.322 10.637 3.277 250 1HB SER 88 1HB SER 88 5.768 11.782 0.451 251 2HB SER 88 2HB SER 88 7.037 11.562 1.656 252 HG SER 88 HG SER 88 6.478 9.350 1.745 253 H GLU 89 H GLU 89 6.235 12.139 4.480 254 HA GLU 89 HA GLU 89 4.733 14.591 5.028 255 1HB GLU 89 1HB GLU 89 7.438 13.849 6.265 256 2HB GLU 89 2HB GLU 89 6.288 15.020 6.874 257 1HG GLU 89 1HG GLU 89 5.958 11.960 6.817 258 2HG GLU 89 2HG GLU 89 6.236 12.969 8.220 259 H SER 90 H SER 90 8.156 14.253 3.957 260 HA SER 90 HA SER 90 8.573 17.101 3.411 261 1HB SER 90 1HB SER 90 10.421 15.436 3.791 262 2HB SER 90 2HB SER 90 10.080 14.689 2.225 263 HG SER 90 HG SER 90 10.488 16.736 1.275 264 H ALA 91 H ALA 91 7.325 14.504 1.263 265 HA ALA 91 HA ALA 91 6.716 16.663 -0.849 266 1HB ALA 91 3HB ALA 91 7.536 13.753 -1.428 267 2HB ALA 91 1HB ALA 91 7.013 14.963 -2.623 268 3HB ALA 91 2HB ALA 91 8.518 15.213 -1.717 269 HA PRO 92 HA PRO 92 2.546 14.868 0.423 270 1HB PRO 92 1HB PRO 92 1.749 17.678 -0.499 271 2HB PRO 92 2HB PRO 92 1.140 16.736 0.877 272 1HG PRO 92 1HG PRO 92 2.923 18.742 1.309 273 2HG PRO 92 2HG PRO 92 3.118 17.206 2.188 274 1HD PRO 92 1HD PRO 92 4.637 18.126 -0.324 275 2HD PRO 92 2HD PRO 92 5.267 17.387 1.180 276 H GLY 93 H GLY 93 1.345 13.786 -0.987 277 1HA GLY 93 1HA GLY 93 0.174 13.473 -3.216 278 2HA GLY 93 2HA GLY 93 1.398 14.441 -4.008 279 H ASP 94 H ASP 94 3.626 13.048 -2.454 280 HA ASP 94 HA ASP 94 3.942 10.634 -4.245 281 1HB ASP 94 1HB ASP 94 5.864 12.233 -3.788 282 2HB ASP 94 2HB ASP 94 5.850 11.780 -2.097 283 H PHE 95 H PHE 95 2.836 8.871 -3.597 284 HA PHE 95 HA PHE 95 2.174 8.417 -0.661 285 1HB PHE 95 1HB PHE 95 1.030 7.226 -3.251 286 2HB PHE 95 2HB PHE 95 0.664 6.588 -1.672 287 HD1 PHE 95 HD1 PHE 95 0.774 10.342 -1.733 288 HD2 PHE 95 HD2 PHE 95 -1.665 6.856 -2.425 289 HE1 PHE 95 HE1 PHE 95 -1.224 11.736 -1.774 290 HE2 PHE 95 HE2 PHE 95 -3.666 8.278 -2.389 291 HZ PHE 95 HZ PHE 95 -3.452 10.718 -2.094 292 H SER 96 H SER 96 2.345 6.323 0.247 293 HA SER 96 HA SER 96 4.339 4.380 -0.977 294 1HB SER 96 1HB SER 96 4.720 5.518 1.864 295 2HB SER 96 2HB SER 96 5.568 4.115 1.209 296 HG SER 96 HG SER 96 6.729 6.033 0.971 297 H LEU 97 H LEU 97 3.294 2.627 -1.056 298 HA LEU 97 HA LEU 97 0.926 1.829 0.617 299 1HB LEU 97 1HB LEU 97 0.975 1.513 -1.789 300 2HB LEU 97 2HB LEU 97 2.483 0.607 -1.719 301 HG LEU 97 HG LEU 97 1.239 -1.144 -0.351 302 1HD1 LEU 97 3HD2 LEU 97 -0.783 0.085 0.323 303 2HD1 LEU 97 1HD2 LEU 97 -1.300 0.233 -1.381 304 3HD1 LEU 97 2HD2 LEU 97 -1.215 -1.364 -0.595 305 1HD2 LEU 97 3HD1 LEU 97 1.885 -1.412 -2.781 306 2HD2 LEU 97 1HD1 LEU 97 0.396 -2.281 -2.386 307 3HD2 LEU 97 2HD1 LEU 97 0.312 -0.735 -3.270 308 H SER 98 H SER 98 1.393 1.231 2.540 309 HA SER 98 HA SER 98 3.916 -0.250 3.447 310 1HB SER 98 1HB SER 98 1.731 0.724 5.315 311 2HB SER 98 2HB SER 98 3.434 0.517 5.643 312 HG SER 98 HG SER 98 2.838 2.660 5.415 313 H VAL 99 H VAL 99 3.613 -2.494 3.044 314 HA VAL 99 HA VAL 99 0.869 -3.746 3.706 315 HB VAL 99 HB VAL 99 2.907 -4.892 1.709 316 1HG1 VAL 99 2HG1 VAL 99 -0.044 -5.648 2.240 317 2HG1 VAL 99 3HG1 VAL 99 0.959 -6.308 0.934 318 3HG1 VAL 99 1HG1 VAL 99 1.381 -6.638 2.619 319 1HG2 VAL 99 1HG2 VAL 99 0.400 -3.229 1.022 320 2HG2 VAL 99 2HG2 VAL 99 2.105 -2.806 0.714 321 3HG2 VAL 99 3HG2 VAL 99 1.370 -4.166 -0.142 322 H LYS 100 H LYS 100 0.879 -5.065 5.333 323 HA LYS 100 HA LYS 100 3.433 -6.066 6.611 324 1HB LYS 100 1HB LYS 100 1.458 -4.955 7.847 325 2HB LYS 100 2HB LYS 100 0.584 -6.456 7.699 326 1HG LYS 100 1HG LYS 100 3.421 -6.306 8.944 327 2HG LYS 100 2HG LYS 100 1.992 -5.861 9.850 328 1HD LYS 100 1HD LYS 100 1.014 -8.154 9.532 329 2HD LYS 100 2HD LYS 100 2.465 -8.657 8.652 330 1HE LYS 100 1HE LYS 100 3.901 -8.223 10.656 331 2HE LYS 100 2HE LYS 100 2.530 -7.561 11.550 332 1HZ LYS 100 3HZ LYS 100 1.443 -9.743 11.398 333 2HZ LYS 100 1HZ LYS 100 2.740 -10.371 10.590 334 3HZ LYS 100 2HZ LYS 100 2.910 -9.855 12.150 335 H PHE 101 H PHE 101 4.089 -7.618 5.125 336 HA PHE 101 HA PHE 101 2.285 -10.040 4.613 337 1HB PHE 101 1HB PHE 101 3.157 -8.751 2.644 338 2HB PHE 101 2HB PHE 101 4.796 -9.118 3.102 339 HD1 PHE 101 HD1 PHE 101 1.552 -10.634 1.943 340 HD2 PHE 101 HD2 PHE 101 5.756 -11.331 2.558 341 HE1 PHE 101 HE1 PHE 101 1.412 -12.712 0.633 342 HE2 PHE 101 HE2 PHE 101 5.591 -13.399 1.237 343 HZ PHE 101 HZ PHE 101 3.434 -14.087 0.260 344 H GLY 102 H GLY 102 2.574 -11.460 6.169 345 1HA GLY 102 1HA GLY 102 3.676 -13.324 7.224 346 2HA GLY 102 2HA GLY 102 5.233 -12.795 6.617 347 H ASN 103 H ASN 103 6.450 -11.439 7.886 348 HA ASN 103 HA ASN 103 5.304 -10.095 10.323 349 1HB ASN 103 1HB ASN 103 6.945 -10.871 11.930 350 2HB ASN 103 2HB ASN 103 5.967 -12.181 11.345 351 1HD2 ASN 103 1HD2 ASN 103 8.838 -14.042 10.185 352 2HD2 ASN 103 2HD2 ASN 103 7.011 -13.923 10.305 353 H ASP 104 H ASP 104 5.955 -8.903 7.962 354 HA ASP 104 HA ASP 104 8.064 -6.925 8.851 355 1HB ASP 104 1HB ASP 104 8.298 -8.294 6.088 356 2HB ASP 104 2HB ASP 104 9.207 -6.888 6.614 357 H VAL 105 H VAL 105 7.629 -4.965 8.161 358 HA VAL 105 HA VAL 105 5.069 -4.454 6.554 359 HB VAL 105 HB VAL 105 6.542 -2.523 8.412 360 1HG1 VAL 105 2HG1 VAL 105 5.340 -1.324 6.544 361 2HG1 VAL 105 3HG1 VAL 105 3.852 -2.206 6.904 362 3HG1 VAL 105 1HG1 VAL 105 4.510 -1.035 8.081 363 1HG2 VAL 105 1HG2 VAL 105 5.341 -4.301 9.741 364 2HG2 VAL 105 2HG2 VAL 105 4.568 -2.722 9.936 365 3HG2 VAL 105 3HG2 VAL 105 3.834 -3.942 8.867 366 H GLN 106 H GLN 106 5.546 -4.292 4.517 367 HA GLN 106 HA GLN 106 8.269 -3.305 3.546 368 1HB GLN 106 1HB GLN 106 6.204 -5.210 2.295 369 2HB GLN 106 2HB GLN 106 7.587 -4.570 1.414 370 1HG GLN 106 1HG GLN 106 9.208 -5.558 2.920 371 2HG GLN 106 2HG GLN 106 7.975 -6.052 4.069 372 1HE2 GLN 106 2HE2 GLN 106 7.472 -9.172 2.350 373 2HE2 GLN 106 1HE2 GLN 106 7.271 -8.140 3.854 374 H HIS 107 H HIS 107 8.294 -1.350 2.881 375 HA HIS 107 HA HIS 107 5.845 0.150 2.005 376 1HB HIS 107 1HB HIS 107 8.706 0.933 2.855 377 2HB HIS 107 2HB HIS 107 7.675 2.064 2.057 378 HD2 HIS 107 HD2 HIS 107 7.259 -0.340 5.162 379 HE1 HIS 107 HE1 HIS 107 5.002 2.990 5.933 380 HE2 HIS 107 HE2 HIS 107 5.822 0.856 7.011 381 H PHE 108 H PHE 108 5.363 0.311 -0.032 382 HA PHE 108 HA PHE 108 7.478 0.002 -2.245 383 1HB PHE 108 1HB PHE 108 4.524 -0.638 -2.632 384 2HB PHE 108 2HB PHE 108 5.865 -1.034 -3.664 385 HD1 PHE 108 HD2 PHE 108 7.804 -2.591 -2.400 386 HD2 PHE 108 HD1 PHE 108 3.609 -2.488 -1.434 387 HE1 PHE 108 HE2 PHE 108 7.953 -4.856 -1.445 388 HE2 PHE 108 HE1 PHE 108 3.780 -4.762 -0.516 389 HZ PHE 108 HZ PHE 108 5.942 -5.947 -0.514 390 H LYS 109 H LYS 109 7.774 1.798 -3.338 391 HA LYS 109 HA LYS 109 6.258 4.225 -2.655 392 1HB LYS 109 1HB LYS 109 7.863 5.543 -3.820 393 2HB LYS 109 2HB LYS 109 8.614 4.372 -2.764 394 1HG LYS 109 1HG LYS 109 9.070 2.916 -4.880 395 2HG LYS 109 2HG LYS 109 8.543 4.282 -5.850 396 1HD LYS 109 1HD LYS 109 10.884 4.296 -3.835 397 2HD LYS 109 2HD LYS 109 11.037 4.079 -5.573 398 1HE LYS 109 1HE LYS 109 10.113 6.405 -5.975 399 2HE LYS 109 2HE LYS 109 9.949 6.650 -4.231 400 1HZ LYS 109 3HZ LYS 109 12.365 6.340 -4.029 401 2HZ LYS 109 1HZ LYS 109 12.510 6.127 -5.660 402 3HZ LYS 109 2HZ LYS 109 12.010 7.582 -5.059 403 H VAL 110 H VAL 110 4.387 4.652 -3.432 404 HA VAL 110 HA VAL 110 3.423 3.862 -6.165 405 HB VAL 110 HB VAL 110 2.021 5.340 -3.869 406 1HG1 VAL 110 3HG2 VAL 110 0.906 5.963 -6.037 407 2HG1 VAL 110 1HG2 VAL 110 0.734 4.247 -6.467 408 3HG1 VAL 110 2HG2 VAL 110 -0.146 4.924 -5.070 409 1HG2 VAL 110 3HG1 VAL 110 2.484 2.939 -3.309 410 2HG2 VAL 110 1HG1 VAL 110 0.750 3.231 -3.500 411 3HG2 VAL 110 2HG1 VAL 110 1.659 2.413 -4.796 412 H LEU 111 H LEU 111 3.939 5.055 -7.823 413 HA LEU 111 HA LEU 111 4.672 7.974 -7.568 414 1HB LEU 111 1HB LEU 111 4.896 6.107 -10.002 415 2HB LEU 111 2HB LEU 111 5.643 7.685 -9.836 416 HG LEU 111 HG LEU 111 6.310 5.195 -8.158 417 1HD1 LEU 111 3HD2 LEU 111 7.015 4.919 -10.524 418 2HD1 LEU 111 1HD2 LEU 111 7.892 6.469 -10.486 419 3HD1 LEU 111 2HD2 LEU 111 8.439 5.101 -9.482 420 1HD2 LEU 111 1HD1 LEU 111 7.764 7.932 -8.198 421 2HD2 LEU 111 2HD1 LEU 111 6.829 7.257 -6.838 422 3HD2 LEU 111 3HD1 LEU 111 8.327 6.466 -7.355 423 H ARG 112 H ARG 112 3.573 9.618 -8.499 424 HA ARG 112 HA ARG 112 0.934 9.004 -9.951 425 1HB ARG 112 1HB ARG 112 1.699 11.568 -8.418 426 2HB ARG 112 2HB ARG 112 0.192 11.270 -9.271 427 1HG ARG 112 1HG ARG 112 -0.230 9.260 -7.687 428 2HG ARG 112 2HG ARG 112 1.205 9.738 -6.807 429 1HD ARG 112 1HD ARG 112 -0.556 10.656 -5.565 430 2HD ARG 112 2HD ARG 112 0.140 12.050 -6.395 431 HE ARG 112 HE ARG 112 -2.006 11.191 -8.095 432 1HH1 ARG 112 2HH2 ARG 112 -1.741 12.266 -4.714 433 2HH1 ARG 112 1HH2 ARG 112 -3.475 12.866 -4.752 434 1HH2 ARG 112 1HH1 ARG 112 -3.971 11.910 -8.020 435 2HH2 ARG 112 2HH1 ARG 112 -4.648 12.676 -6.497 436 H ASP 113 H ASP 113 0.816 9.521 -12.024 437 HA ASP 113 HA ASP 113 3.070 10.928 -13.387 438 1HB ASP 113 1HB ASP 113 2.053 10.374 -15.548 439 2HB ASP 113 2HB ASP 113 2.466 9.022 -14.541 440 H GLY 114 H GLY 114 -0.485 11.666 -13.374 441 1HA GLY 114 1HA GLY 114 -0.019 14.569 -13.181 442 2HA GLY 114 2HA GLY 114 -0.207 14.133 -14.881 443 H ALA 115 H ALA 115 -1.860 15.573 -12.762 444 HA ALA 115 HA ALA 115 -4.073 16.189 -12.594 445 1HB ALA 115 2HB ALA 115 -4.536 15.702 -14.959 446 2HB ALA 115 3HB ALA 115 -4.998 14.031 -14.553 447 3HB ALA 115 1HB ALA 115 -5.945 15.394 -13.921 448 H GLY 116 H GLY 116 -4.527 12.647 -12.721 449 1HA GLY 116 1HA GLY 116 -4.429 12.378 -9.788 450 2HA GLY 116 2HA GLY 116 -6.115 12.359 -10.305 451 H LYS 117 H LYS 117 -2.966 10.889 -11.005 452 HA LYS 117 HA LYS 117 -4.294 8.172 -11.553 453 1HB LYS 117 1HB LYS 117 -2.058 9.603 -13.120 454 2HB LYS 117 2HB LYS 117 -2.105 7.864 -13.055 455 1HG LYS 117 1HG LYS 117 -3.103 8.419 -15.064 456 2HG LYS 117 2HG LYS 117 -4.378 7.769 -14.045 457 1HD LYS 117 1HD LYS 117 -5.384 9.958 -13.718 458 2HD LYS 117 2HD LYS 117 -3.963 10.797 -14.339 459 1HE LYS 117 1HE LYS 117 -4.395 9.835 -16.650 460 2HE LYS 117 2HE LYS 117 -5.816 8.983 -16.031 461 1HZ LYS 117 1HZ LYS 117 -6.772 11.161 -15.435 462 2HZ LYS 117 2HZ LYS 117 -5.453 11.942 -16.051 463 3HZ LYS 117 3HZ LYS 117 -6.439 11.072 -17.051 464 H TYR 118 H TYR 118 -2.894 6.361 -11.208 465 HA TYR 118 HA TYR 118 -0.639 6.693 -9.176 466 1HB TYR 118 1HB TYR 118 -3.049 4.815 -8.659 467 2HB TYR 118 2HB TYR 118 -1.601 4.936 -7.698 468 HD1 TYR 118 HD1 TYR 118 -1.090 7.197 -6.477 469 HD2 TYR 118 HD2 TYR 118 -4.940 6.259 -8.160 470 HE1 TYR 118 HE1 TYR 118 -2.133 8.909 -5.070 471 HE2 TYR 118 HE2 TYR 118 -5.969 7.976 -6.742 472 HH TYR 118 HH TYR 118 -5.644 9.516 -5.176 473 H PHE 119 H PHE 119 0.965 5.570 -10.025 474 HA PHE 119 HA PHE 119 0.452 2.829 -11.266 475 1HB PHE 119 1HB PHE 119 1.965 3.029 -13.008 476 2HB PHE 119 2HB PHE 119 0.881 4.371 -13.132 477 HD1 PHE 119 HD2 PHE 119 1.725 6.744 -12.438 478 HD2 PHE 119 HD1 PHE 119 4.371 3.379 -12.867 479 HE1 PHE 119 HE2 PHE 119 3.655 8.269 -12.631 480 HE2 PHE 119 HE1 PHE 119 6.278 4.921 -13.093 481 HZ PHE 119 HZ PHE 119 5.923 7.364 -12.981 482 H LEU 120 H LEU 120 1.397 1.350 -10.179 483 HA LEU 120 HA LEU 120 3.934 1.893 -8.538 484 1HB LEU 120 1HB LEU 120 1.892 1.313 -7.194 485 2HB LEU 120 2HB LEU 120 1.744 -0.214 -8.019 486 HG LEU 120 HG LEU 120 2.625 -0.404 -5.753 487 1HD1 LEU 120 2HD1 LEU 120 3.343 -2.175 -7.393 488 2HD1 LEU 120 3HD1 LEU 120 4.882 -1.313 -7.636 489 3HD1 LEU 120 1HD1 LEU 120 4.475 -1.957 -6.041 490 1HD2 LEU 120 2HD2 LEU 120 3.848 1.732 -5.528 491 2HD2 LEU 120 3HD2 LEU 120 4.870 0.378 -5.052 492 3HD2 LEU 120 1HD2 LEU 120 5.131 1.158 -6.625 493 H TRP 121 H TRP 121 2.278 -0.726 -10.353 494 HA TRP 121 HA TRP 121 4.934 -2.179 -10.642 495 1HB TRP 121 1HB TRP 121 2.871 -3.172 -9.492 496 2HB TRP 121 2HB TRP 121 2.083 -3.240 -11.044 497 HD1 TRP 121 HD1 TRP 121 5.355 -4.577 -9.275 498 HE1 TRP 121 HE1 TRP 121 5.565 -7.180 -9.620 499 HE3 TRP 121 HE3 TRP 121 1.419 -5.047 -12.473 500 HZ2 TRP 121 HZ2 TRP 121 3.986 -9.092 -11.069 501 HZ3 TRP 121 HZ3 TRP 121 0.805 -7.296 -13.293 502 HH2 TRP 121 HH2 TRP 121 2.065 -9.284 -12.590 503 H VAL 122 H VAL 122 2.043 -1.769 -12.801 504 HA VAL 122 HA VAL 122 3.961 -1.463 -15.157 505 HB VAL 122 HB VAL 122 2.635 -2.872 -16.628 506 1HG1 VAL 122 3HG2 VAL 122 4.673 -3.790 -15.543 507 2HG1 VAL 122 1HG2 VAL 122 3.691 -4.460 -14.221 508 3HG1 VAL 122 2HG2 VAL 122 3.478 -5.056 -15.884 509 1HG2 VAL 122 2HG1 VAL 122 0.970 -3.741 -14.189 510 2HG2 VAL 122 3HG1 VAL 122 0.387 -3.000 -15.690 511 3HG2 VAL 122 1HG1 VAL 122 1.044 -4.639 -15.724 512 H VAL 123 H VAL 123 0.465 -1.093 -14.391 513 HA VAL 123 HA VAL 123 0.425 1.209 -16.405 514 HB VAL 123 HB VAL 123 -0.666 -0.968 -17.069 515 1HG1 VAL 123 2HG2 VAL 123 -1.772 -1.633 -14.896 516 2HG1 VAL 123 3HG2 VAL 123 -2.914 -0.280 -15.077 517 3HG1 VAL 123 1HG2 VAL 123 -2.904 -1.609 -16.262 518 1HG2 VAL 123 3HG1 VAL 123 -1.230 1.186 -18.201 519 2HG2 VAL 123 1HG1 VAL 123 -2.560 0.012 -18.218 520 3HG2 VAL 123 2HG1 VAL 123 -2.619 1.396 -17.105 521 H LYS 124 H LYS 124 -1.181 2.815 -16.153 522 HA LYS 124 HA LYS 124 -1.319 3.900 -13.372 523 1HB LYS 124 1HB LYS 124 -2.338 5.943 -14.432 524 2HB LYS 124 2HB LYS 124 -0.719 5.529 -14.896 525 1HG LYS 124 1HG LYS 124 -1.913 6.427 -16.796 526 2HG LYS 124 2HG LYS 124 -1.391 4.791 -17.116 527 1HD LYS 124 1HD LYS 124 -3.558 5.125 -18.101 528 2HD LYS 124 2HD LYS 124 -3.714 3.930 -16.830 529 1HE LYS 124 1HE LYS 124 -4.687 5.734 -15.284 530 2HE LYS 124 2HE LYS 124 -4.503 6.920 -16.586 531 1HZ LYS 124 3HZ LYS 124 -6.025 5.575 -17.940 532 2HZ LYS 124 1HZ LYS 124 -6.197 4.473 -16.722 533 3HZ LYS 124 2HZ LYS 124 -6.739 6.020 -16.519 534 H PHE 125 H PHE 125 -3.128 4.619 -12.326 535 HA PHE 125 HA PHE 125 -5.839 3.360 -12.976 536 1HB PHE 125 1HB PHE 125 -4.388 2.998 -10.261 537 2HB PHE 125 2HB PHE 125 -6.053 2.587 -10.568 538 HD1 PHE 125 HD1 PHE 125 -6.611 0.730 -12.296 539 HD2 PHE 125 HD2 PHE 125 -2.603 1.433 -10.896 540 HE1 PHE 125 HE1 PHE 125 -5.918 -1.477 -13.133 541 HE2 PHE 125 HE2 PHE 125 -1.932 -0.777 -11.735 542 HZ PHE 125 HZ PHE 125 -3.575 -2.216 -12.887 543 H ASN 126 H ASN 126 -7.268 4.947 -12.813 544 HA ASN 126 HA ASN 126 -6.638 7.609 -11.931 545 1HB ASN 126 1HB ASN 126 -9.430 6.417 -12.420 546 2HB ASN 126 2HB ASN 126 -9.138 8.108 -12.094 547 1HD2 ASN 126 1HD2 ASN 126 -8.535 6.865 -15.895 548 2HD2 ASN 126 2HD2 ASN 126 -9.144 5.756 -14.566 549 H SER 127 H SER 127 -8.943 5.428 -10.197 550 HA SER 127 HA SER 127 -8.644 7.135 -7.714 551 1HB SER 127 1HB SER 127 -10.489 5.901 -6.761 552 2HB SER 127 2HB SER 127 -10.932 6.419 -8.382 553 HG SER 127 HG SER 127 -11.482 4.272 -7.967 554 H LEU 128 H LEU 128 -8.097 6.313 -5.734 555 HA LEU 128 HA LEU 128 -5.896 4.383 -5.564 556 1HB LEU 128 1HB LEU 128 -6.479 6.461 -4.001 557 2HB LEU 128 2HB LEU 128 -7.539 5.350 -3.167 558 HG LEU 128 HG LEU 128 -5.457 3.836 -2.778 559 1HD1 LEU 128 3HD1 LEU 128 -3.954 6.327 -3.847 560 2HD1 LEU 128 1HD1 LEU 128 -3.185 4.976 -2.995 561 3HD1 LEU 128 2HD1 LEU 128 -3.931 4.708 -4.575 562 1HD2 LEU 128 3HD2 LEU 128 -6.373 5.333 -1.002 563 2HD2 LEU 128 1HD2 LEU 128 -4.606 5.263 -0.899 564 3HD2 LEU 128 2HD2 LEU 128 -5.395 6.695 -1.599 565 H ASN 129 H ASN 129 -9.383 3.976 -5.045 566 HA ASN 129 HA ASN 129 -9.282 1.211 -4.016 567 1HB ASN 129 1HB ASN 129 -11.254 2.700 -3.749 568 2HB ASN 129 2HB ASN 129 -11.512 2.737 -5.481 569 1HD2 ASN 129 1HD2 ASN 129 -13.014 -0.419 -3.354 570 2HD2 ASN 129 2HD2 ASN 129 -11.991 0.889 -2.573 571 H GLU 130 H GLU 130 -9.279 2.493 -7.390 572 HA GLU 130 HA GLU 130 -9.339 -0.195 -8.659 573 1HB GLU 130 1HB GLU 130 -8.748 2.613 -9.723 574 2HB GLU 130 2HB GLU 130 -8.177 1.244 -10.631 575 1HG GLU 130 1HG GLU 130 -10.241 1.765 -11.603 576 2HG GLU 130 2HG GLU 130 -10.469 0.246 -10.764 577 H LEU 131 H LEU 131 -6.593 1.939 -7.691 578 HA LEU 131 HA LEU 131 -4.453 0.116 -8.488 579 1HB LEU 131 1HB LEU 131 -4.141 2.541 -7.758 580 2HB LEU 131 2HB LEU 131 -4.581 2.091 -6.130 581 HG LEU 131 HG LEU 131 -2.504 0.453 -6.194 582 1HD1 LEU 131 2HD1 LEU 131 -2.037 0.534 -8.646 583 2HD1 LEU 131 3HD1 LEU 131 -1.723 2.286 -8.555 584 3HD1 LEU 131 1HD1 LEU 131 -0.648 1.134 -7.726 585 1HD2 LEU 131 2HD2 LEU 131 -2.110 3.499 -6.101 586 2HD2 LEU 131 3HD2 LEU 131 -2.571 2.437 -4.757 587 3HD2 LEU 131 1HD2 LEU 131 -0.962 2.284 -5.485 588 H VAL 132 H VAL 132 -6.233 0.296 -5.380 589 HA VAL 132 HA VAL 132 -4.953 -1.981 -4.072 590 HB VAL 132 HB VAL 132 -7.655 -0.606 -3.606 591 1HG1 VAL 132 1HG2 VAL 132 -6.516 -2.919 -1.913 592 2HG1 VAL 132 2HG2 VAL 132 -7.847 -1.839 -1.416 593 3HG1 VAL 132 3HG2 VAL 132 -8.052 -2.902 -2.802 594 1HG2 VAL 132 2HG1 VAL 132 -5.613 0.718 -2.976 595 2HG2 VAL 132 3HG1 VAL 132 -6.532 0.252 -1.535 596 3HG2 VAL 132 1HG1 VAL 132 -5.039 -0.619 -1.964 597 H ASP 133 H ASP 133 -8.130 -1.903 -5.765 598 HA ASP 133 HA ASP 133 -8.638 -4.683 -5.436 599 1HB ASP 133 1HB ASP 133 -10.325 -2.863 -6.010 600 2HB ASP 133 2HB ASP 133 -9.766 -2.874 -7.673 601 H TYR 134 H TYR 134 -6.787 -3.171 -8.110 602 HA TYR 134 HA TYR 134 -6.541 -5.559 -9.809 603 1HB TYR 134 1HB TYR 134 -6.022 -3.322 -10.668 604 2HB TYR 134 2HB TYR 134 -4.764 -3.074 -9.486 605 HD1 TYR 134 HD2 TYR 134 -5.698 -5.316 -12.402 606 HD2 TYR 134 HD1 TYR 134 -2.502 -3.719 -10.008 607 HE1 TYR 134 HE2 TYR 134 -4.049 -6.274 -13.949 608 HE2 TYR 134 HE1 TYR 134 -0.864 -4.666 -11.569 609 HH TYR 134 HH TYR 134 -0.549 -5.819 -13.440 610 H HIS 135 H HIS 135 -4.218 -4.266 -7.342 611 HA HIS 135 HA HIS 135 -2.726 -6.832 -7.335 612 1HB HIS 135 1HB HIS 135 -2.323 -4.380 -5.535 613 2HB HIS 135 2HB HIS 135 -1.324 -5.821 -5.491 614 HD2 HIS 135 HD2 HIS 135 -1.017 -2.525 -6.863 615 HE1 HIS 135 HE1 HIS 135 0.859 -4.854 -9.747 616 HE2 HIS 135 HE2 HIS 135 0.609 -2.412 -8.957 617 H ARG 136 H ARG 136 -5.556 -6.150 -5.736 618 HA ARG 136 HA ARG 136 -5.290 -7.816 -3.325 619 1HB ARG 136 1HB ARG 136 -7.092 -6.162 -3.842 620 2HB ARG 136 2HB ARG 136 -7.723 -7.192 -5.117 621 1HG ARG 136 1HG ARG 136 -8.481 -8.861 -3.527 622 2HG ARG 136 2HG ARG 136 -7.576 -8.167 -2.196 623 1HD ARG 136 1HD ARG 136 -9.855 -6.684 -3.674 624 2HD ARG 136 2HD ARG 136 -10.121 -7.652 -2.242 625 HE ARG 136 HE ARG 136 -8.731 -4.955 -2.370 626 1HH1 ARG 136 2HH2 ARG 136 -9.633 -7.683 -0.274 627 2HH1 ARG 136 1HH2 ARG 136 -9.315 -6.658 1.214 628 1HH2 ARG 136 1HH1 ARG 136 -8.399 -3.888 -0.609 629 2HH2 ARG 136 2HH1 ARG 136 -8.663 -4.658 1.035 630 H SER 137 H SER 137 -5.579 -8.642 -6.720 631 HA SER 137 HA SER 137 -5.586 -11.606 -6.106 632 1HB SER 137 1HB SER 137 -6.520 -10.260 -8.716 633 2HB SER 137 2HB SER 137 -6.338 -12.001 -8.476 634 HG SER 137 HG SER 137 -8.017 -10.273 -6.984 635 H THR 138 H THR 138 -4.001 -8.993 -7.979 636 HA THR 138 HA THR 138 -1.891 -10.876 -9.053 637 HB THR 138 HB THR 138 -2.315 -7.836 -9.457 638 HG1 THR 138 HG1 THR 138 -3.099 -8.514 -11.446 639 1HG2 THR 138 3HG2 THR 138 -0.454 -9.734 -11.033 640 2HG2 THR 138 1HG2 THR 138 -0.892 -8.075 -11.511 641 3HG2 THR 138 2HG2 THR 138 0.049 -8.346 -10.038 642 H SER 139 H SER 139 0.329 -10.665 -8.613 643 HA SER 139 HA SER 139 1.077 -9.890 -5.858 644 1HB SER 139 1HB SER 139 2.116 -11.832 -7.060 645 2HB SER 139 2HB SER 139 2.936 -10.716 -8.163 646 HG SER 139 HG SER 139 4.236 -11.287 -6.427 647 H VAL 140 H VAL 140 1.652 -7.958 -5.183 648 HA VAL 140 HA VAL 140 2.149 -5.649 -6.969 649 HB VAL 140 HB VAL 140 0.869 -5.452 -4.881 650 1HG1 VAL 140 3HG1 VAL 140 3.536 -5.678 -3.352 651 2HG1 VAL 140 1HG1 VAL 140 1.998 -5.098 -2.664 652 3HG1 VAL 140 2HG1 VAL 140 2.129 -6.761 -3.239 653 1HG2 VAL 140 2HG2 VAL 140 1.867 -3.442 -6.037 654 2HG2 VAL 140 3HG2 VAL 140 1.539 -3.226 -4.313 655 3HG2 VAL 140 1HG2 VAL 140 3.210 -3.484 -4.865 656 H SER 141 H SER 141 4.376 -7.853 -5.396 657 HA SER 141 HA SER 141 6.652 -6.416 -6.822 658 1HB SER 141 1HB SER 141 6.829 -7.367 -3.881 659 2HB SER 141 2HB SER 141 8.218 -6.928 -4.880 660 HG SER 141 HG SER 141 7.267 -4.884 -5.202 661 H ARG 142 H ARG 142 7.930 -7.770 -7.885 662 HA ARG 142 HA ARG 142 7.166 -10.648 -8.125 663 1HB ARG 142 1HB ARG 142 9.295 -8.989 -9.579 664 2HB ARG 142 2HB ARG 142 9.047 -10.686 -9.900 665 1HG ARG 142 1HG ARG 142 6.724 -8.680 -10.194 666 2HG ARG 142 2HG ARG 142 7.935 -8.892 -11.431 667 1HD ARG 142 1HD ARG 142 6.098 -10.218 -12.108 668 2HD ARG 142 2HD ARG 142 7.376 -11.341 -11.646 669 HE ARG 142 HE ARG 142 5.701 -11.052 -9.307 670 1HH1 ARG 142 2HH2 ARG 142 5.316 -12.256 -12.632 671 2HH1 ARG 142 1HH2 ARG 142 4.048 -13.455 -12.066 672 1HH2 ARG 142 1HH1 ARG 142 4.248 -12.459 -8.777 673 2HH2 ARG 142 2HH1 ARG 142 3.487 -13.560 -10.032 674 H ASN 143 H ASN 143 7.667 -11.636 -6.308 675 HA ASN 143 HA ASN 143 10.335 -12.726 -5.906 676 1HB ASN 143 1HB ASN 143 10.943 -12.018 -3.658 677 2HB ASN 143 2HB ASN 143 11.027 -10.717 -4.804 678 1HD2 ASN 143 1HD2 ASN 143 8.917 -10.018 -1.468 679 2HD2 ASN 143 2HD2 ASN 143 10.010 -11.468 -1.731 680 H GLN 144 H GLN 144 7.497 -12.065 -3.770 681 HA GLN 144 HA GLN 144 6.895 -15.087 -3.751 682 1HB GLN 144 1HB GLN 144 6.530 -13.022 -1.488 683 2HB GLN 144 2HB GLN 144 5.864 -14.642 -1.475 684 1HG GLN 144 1HG GLN 144 8.145 -15.665 -1.602 685 2HG GLN 144 2HG GLN 144 8.890 -14.078 -1.650 686 1HE2 GLN 144 2HE2 GLN 144 8.593 -13.608 1.918 687 2HE2 GLN 144 1HE2 GLN 144 9.016 -12.870 0.292 688 H GLN 145 H GLN 145 4.312 -14.128 -2.414 689 HA GLN 145 HA GLN 145 2.889 -12.931 -4.855 690 1HB GLN 145 1HB GLN 145 0.939 -14.433 -4.549 691 2HB GLN 145 2HB GLN 145 2.383 -15.137 -5.206 692 1HG GLN 145 1HG GLN 145 1.470 -16.821 -3.862 693 2HG GLN 145 2HG GLN 145 2.884 -16.276 -3.005 694 1HE2 GLN 145 2HE2 GLN 145 -0.838 -15.720 -1.267 695 2HE2 GLN 145 1HE2 GLN 145 -0.675 -16.006 -3.073 696 H ILE 146 H ILE 146 3.247 -10.991 -3.700 697 HA ILE 146 HA ILE 146 2.007 -10.673 -1.021 698 HB ILE 146 HB ILE 146 3.349 -8.460 -2.595 699 1HG1 ILE 146 1HG1 ILE 146 5.203 -8.789 -0.766 700 2HG1 ILE 146 2HG1 ILE 146 4.517 -10.378 -0.489 701 1HG2 ILE 146 2HG2 ILE 146 1.798 -7.585 -0.833 702 2HG2 ILE 146 3HG2 ILE 146 2.527 -8.642 0.385 703 3HG2 ILE 146 1HG2 ILE 146 3.469 -7.312 -0.325 704 1HD1 ILE 146 1HD1 ILE 146 5.621 -9.380 -3.203 705 2HD1 ILE 146 2HD1 ILE 146 6.533 -10.340 -2.008 706 3HD1 ILE 146 3HD1 ILE 146 5.141 -11.055 -2.827 707 H PHE 147 H PHE 147 -0.052 -10.476 -0.890 708 HA PHE 147 HA PHE 147 -1.725 -9.098 -3.075 709 1HB PHE 147 1HB PHE 147 -2.545 -11.425 -1.254 710 2HB PHE 147 2HB PHE 147 -3.619 -10.586 -2.344 711 HD1 PHE 147 HD2 PHE 147 -0.927 -10.681 -4.555 712 HD2 PHE 147 HD1 PHE 147 -3.574 -13.380 -2.484 713 HE1 PHE 147 HE2 PHE 147 -0.518 -12.394 -6.245 714 HE2 PHE 147 HE1 PHE 147 -3.179 -15.065 -4.226 715 HZ PHE 147 HZ PHE 147 -1.637 -14.589 -6.092 716 H LEU 148 H LEU 148 -3.142 -7.632 -2.548 717 HA LEU 148 HA LEU 148 -2.794 -6.242 0.064 718 1HB LEU 148 1HB LEU 148 -4.082 -5.528 -2.622 719 2HB LEU 148 2HB LEU 148 -4.503 -4.601 -1.219 720 HG LEU 148 HG LEU 148 -2.151 -3.992 -0.758 721 1HD1 LEU 148 1HD2 LEU 148 -1.451 -5.582 -3.306 722 2HD1 LEU 148 2HD2 LEU 148 -0.368 -4.385 -2.558 723 3HD1 LEU 148 3HD2 LEU 148 -0.820 -5.843 -1.668 724 1HD2 LEU 148 2HD1 LEU 148 -3.580 -2.507 -2.131 725 2HD2 LEU 148 3HD1 LEU 148 -1.913 -2.423 -2.723 726 3HD2 LEU 148 1HD1 LEU 148 -3.122 -3.367 -3.622 727 H ARG 149 H ARG 149 -3.871 -6.940 1.723 728 HA ARG 149 HA ARG 149 -6.858 -7.641 1.569 729 1HB ARG 149 1HB ARG 149 -4.687 -8.896 3.361 730 2HB ARG 149 2HB ARG 149 -6.393 -9.303 3.397 731 1HG ARG 149 1HG ARG 149 -6.314 -10.284 1.119 732 2HG ARG 149 2HG ARG 149 -4.666 -9.710 0.876 733 1HD ARG 149 1HD ARG 149 -3.935 -11.105 2.889 734 2HD ARG 149 2HD ARG 149 -5.541 -11.850 2.903 735 HE ARG 149 HE ARG 149 -4.574 -12.166 0.208 736 1HH1 ARG 149 2HH2 ARG 149 -3.451 -13.190 3.424 737 2HH1 ARG 149 1HH2 ARG 149 -2.566 -14.614 2.677 738 1HH2 ARG 149 1HH1 ARG 149 -3.527 -13.820 -0.531 739 2HH2 ARG 149 2HH1 ARG 149 -2.608 -14.943 0.592 740 H ASP 150 H ASP 150 -7.887 -7.492 3.742 741 HA ASP 150 HA ASP 150 -7.525 -4.664 4.554 742 1HB ASP 150 1HB ASP 150 -9.720 -4.784 5.581 743 2HB ASP 150 2HB ASP 150 -9.772 -5.539 4.013 744 H ILE 151 H ILE 151 -7.703 -3.799 6.616 745 HA ILE 151 HA ILE 151 -5.707 -4.965 8.514 746 HB ILE 151 HB ILE 151 -5.872 -2.805 9.744 747 1HG1 ILE 151 1HG1 ILE 151 -7.707 -1.756 7.509 748 2HG1 ILE 151 2HG1 ILE 151 -8.281 -2.223 9.100 749 1HG2 ILE 151 2HG2 ILE 151 -4.162 -3.192 7.982 750 2HG2 ILE 151 3HG2 ILE 151 -5.255 -2.512 6.757 751 3HG2 ILE 151 1HG2 ILE 151 -4.617 -1.484 8.065 752 1HD1 ILE 151 2HD1 ILE 151 -6.799 -0.464 10.178 753 2HD1 ILE 151 3HD1 ILE 151 -6.294 0.071 8.551 754 3HD1 ILE 151 1HD1 ILE 151 -7.995 0.210 9.043 755 H GLU 152 H GLU 152 -5.979 -4.799 10.817 756 HA GLU 152 HA GLU 152 -8.418 -6.429 11.636 757 1HB GLU 152 1HB GLU 152 -6.112 -7.339 12.011 758 2HB GLU 152 2HB GLU 152 -5.733 -5.996 13.079 759 1HG GLU 152 1HG GLU 152 -7.523 -6.752 14.688 760 2HG GLU 152 2HG GLU 152 -7.976 -8.052 13.588 761 HXT GLU 152 HO OH 153 -6.410 -4.102 13.244 No H/Q in entry = 761 Start of MODEL 20 1 1H GLY 58 1H GLY 58 -11.936 -3.398 9.103 2 2H GLY 58 2H GLY 58 -12.350 -4.663 8.155 3 1HA GLY 58 1HA GLY 58 -11.594 -3.552 6.157 4 2HA GLY 58 2HA GLY 58 -12.856 -2.664 7.006 5 H SER 59 H SER 59 -12.257 -0.738 6.190 6 HA SER 59 HA SER 59 -11.218 1.299 5.910 7 1HB SER 59 1HB SER 59 -10.414 2.455 7.883 8 2HB SER 59 2HB SER 59 -11.876 1.530 8.206 9 HG SER 59 HG SER 59 -10.310 1.300 9.817 10 H TRP 60 H TRP 60 -9.882 0.965 4.216 11 HA TRP 60 HA TRP 60 -7.087 0.066 4.582 12 1HB TRP 60 1HB TRP 60 -6.706 0.216 2.247 13 2HB TRP 60 2HB TRP 60 -8.093 -0.746 2.652 14 HD1 TRP 60 HD1 TRP 60 -10.501 0.121 1.856 15 HE1 TRP 60 HE1 TRP 60 -11.323 1.695 -0.143 16 HE3 TRP 60 HE3 TRP 60 -6.050 2.426 1.125 17 HZ2 TRP 60 HZ2 TRP 60 -9.958 3.675 -1.749 18 HZ3 TRP 60 HZ3 TRP 60 -5.845 4.167 -0.620 19 HH2 TRP 60 HH2 TRP 60 -7.769 4.799 -2.000 20 H PHE 61 H PHE 61 -8.438 3.284 3.674 21 HA PHE 61 HA PHE 61 -5.697 4.432 3.495 22 1HB PHE 61 1HB PHE 61 -7.624 5.074 1.948 23 2HB PHE 61 2HB PHE 61 -8.402 5.895 3.272 24 HD1 PHE 61 HD2 PHE 61 -5.249 5.827 1.186 25 HD2 PHE 61 HD1 PHE 61 -7.649 8.160 3.895 26 HE1 PHE 61 HE2 PHE 61 -3.796 7.768 0.820 27 HE2 PHE 61 HE1 PHE 61 -6.185 10.096 3.506 28 HZ PHE 61 HZ PHE 61 -4.256 9.908 1.985 29 H PHE 62 H PHE 62 -4.673 5.657 4.910 30 HA PHE 62 HA PHE 62 -6.014 6.521 7.547 31 1HB PHE 62 1HB PHE 62 -3.214 5.417 7.139 32 2HB PHE 62 2HB PHE 62 -3.592 6.495 8.450 33 HD1 PHE 62 HD2 PHE 62 -5.339 3.378 6.994 34 HD2 PHE 62 HD1 PHE 62 -3.825 5.390 10.493 35 HE1 PHE 62 HE2 PHE 62 -6.080 1.524 8.387 36 HE2 PHE 62 HE1 PHE 62 -4.547 3.490 11.870 37 HZ PHE 62 HZ PHE 62 -5.675 1.553 10.828 38 H GLY 63 H GLY 63 -2.860 7.612 6.299 39 1HA GLY 63 1HA GLY 63 -3.452 9.956 4.875 40 2HA GLY 63 2HA GLY 63 -3.831 10.464 6.524 41 H LYS 64 H LYS 64 -2.188 11.963 6.621 42 HA LYS 64 HA LYS 64 0.666 11.242 5.993 43 1HB LYS 64 1HB LYS 64 -0.500 13.896 6.988 44 2HB LYS 64 2HB LYS 64 1.216 13.581 6.787 45 1HG LYS 64 1HG LYS 64 0.800 13.010 4.323 46 2HG LYS 64 2HG LYS 64 -0.868 13.551 4.536 47 1HD LYS 64 1HD LYS 64 -0.006 15.832 5.278 48 2HD LYS 64 2HD LYS 64 1.653 15.263 5.060 49 1HE LYS 64 1HE LYS 64 1.157 14.855 2.576 50 2HE LYS 64 2HE LYS 64 -0.468 15.505 2.822 51 1HZ LYS 64 1HZ LYS 64 0.543 17.612 3.523 52 2HZ LYS 64 2HZ LYS 64 2.062 17.004 3.293 53 3HZ LYS 64 3HZ LYS 64 1.045 17.195 2.005 54 H ILE 65 H ILE 65 0.995 9.633 7.458 55 HA ILE 65 HA ILE 65 1.920 10.669 10.170 56 HB ILE 65 HB ILE 65 1.647 8.679 11.336 57 1HG1 ILE 65 1HG1 ILE 65 2.099 6.878 9.814 58 2HG1 ILE 65 2HG1 ILE 65 0.642 6.592 10.725 59 1HG2 ILE 65 2HG2 ILE 65 -0.311 10.172 11.323 60 2HG2 ILE 65 3HG2 ILE 65 -1.053 9.236 10.005 61 3HG2 ILE 65 1HG2 ILE 65 -0.782 8.481 11.595 62 1HD1 ILE 65 2HD1 ILE 65 -0.766 7.150 8.683 63 2HD1 ILE 65 3HD1 ILE 65 0.737 7.444 7.762 64 3HD1 ILE 65 1HD1 ILE 65 0.384 5.823 8.392 65 HA PRO 66 HA PRO 66 6.104 9.634 8.717 66 1HB PRO 66 1HB PRO 66 6.437 8.413 11.529 67 2HB PRO 66 2HB PRO 66 7.571 9.445 10.633 68 1HG PRO 66 1HG PRO 66 6.005 10.537 12.550 69 2HG PRO 66 2HG PRO 66 6.217 11.409 11.009 70 1HD PRO 66 1HD PRO 66 3.806 9.765 11.922 71 2HD PRO 66 2HD PRO 66 3.861 11.293 10.993 72 H ARG 67 H ARG 67 7.641 7.900 8.362 73 HA ARG 67 HA ARG 67 6.534 5.297 7.612 74 1HB ARG 67 1HB ARG 67 8.667 6.479 6.695 75 2HB ARG 67 2HB ARG 67 9.524 5.870 8.094 76 1HG ARG 67 1HG ARG 67 8.847 3.489 7.415 77 2HG ARG 67 2HG ARG 67 8.017 4.166 6.014 78 1HD ARG 67 1HD ARG 67 10.188 5.070 5.121 79 2HD ARG 67 2HD ARG 67 11.046 4.423 6.536 80 HE ARG 67 HE ARG 67 9.590 2.202 5.366 81 1HH1 ARG 67 2HH2 ARG 67 12.286 4.332 4.450 82 2HH1 ARG 67 1HH2 ARG 67 13.007 2.997 3.419 83 1HH2 ARG 67 1HH1 ARG 67 10.500 0.757 4.165 84 2HH2 ARG 67 2HH1 ARG 67 12.062 1.110 3.270 85 H ALA 68 H ALA 68 8.198 6.331 10.528 86 HA ALA 68 HA ALA 68 8.492 3.627 11.775 87 1HB ALA 68 2HB ALA 68 10.056 5.440 12.433 88 2HB ALA 68 3HB ALA 68 8.712 6.407 13.095 89 3HB ALA 68 1HB ALA 68 9.153 4.853 13.843 90 H LYS 69 H LYS 69 6.155 6.340 12.255 91 HA LYS 69 HA LYS 69 4.428 4.910 14.162 92 1HB LYS 69 1HB LYS 69 3.651 7.180 12.238 93 2HB LYS 69 2HB LYS 69 2.657 6.600 13.557 94 1HG LYS 69 1HG LYS 69 5.388 7.982 13.865 95 2HG LYS 69 2HG LYS 69 3.815 8.728 14.075 96 1HD LYS 69 1HD LYS 69 3.303 7.212 16.009 97 2HD LYS 69 2HD LYS 69 4.864 6.424 15.851 98 1HE LYS 69 1HE LYS 69 4.492 9.441 16.449 99 2HE LYS 69 2HE LYS 69 4.724 8.197 17.675 100 1HZ LYS 69 3HZ LYS 69 6.896 7.684 16.700 101 2HZ LYS 69 1HZ LYS 69 6.698 8.847 15.543 102 3HZ LYS 69 2HZ LYS 69 6.808 9.276 17.134 103 H ALA 70 H ALA 70 4.437 4.916 10.626 104 HA ALA 70 HA ALA 70 1.921 3.361 10.254 105 1HB ALA 70 2HB ALA 70 2.822 4.712 8.407 106 2HB ALA 70 3HB ALA 70 4.327 3.761 8.369 107 3HB ALA 70 1HB ALA 70 2.779 3.006 7.918 108 H GLU 71 H GLU 71 5.389 2.421 10.395 109 HA GLU 71 HA GLU 71 5.011 -0.486 10.218 110 1HB GLU 71 1HB GLU 71 7.298 1.151 11.474 111 2HB GLU 71 2HB GLU 71 7.337 -0.596 11.293 112 1HG GLU 71 1HG GLU 71 7.225 -0.437 8.817 113 2HG GLU 71 2HG GLU 71 7.029 1.296 8.887 114 H GLU 72 H GLU 72 5.114 1.652 13.109 115 HA GLU 72 HA GLU 72 4.891 -0.436 15.126 116 1HB GLU 72 1HB GLU 72 4.074 2.528 15.171 117 2HB GLU 72 2HB GLU 72 3.916 1.495 16.579 118 1HG GLU 72 1HG GLU 72 6.320 1.078 16.731 119 2HG GLU 72 2HG GLU 72 6.638 1.849 15.187 120 H MET 73 H MET 73 2.265 1.436 13.524 121 HA MET 73 HA MET 73 0.019 0.086 14.848 122 1HB MET 73 1HB MET 73 0.166 1.525 12.126 123 2HB MET 73 2HB MET 73 -1.325 0.878 12.784 124 1HG MET 73 1HG MET 73 0.342 3.075 14.157 125 2HG MET 73 2HG MET 73 -1.124 3.306 13.202 126 1HE MET 73 2HE MET 73 0.355 1.797 16.590 127 2HE MET 73 1HE MET 73 -0.105 3.526 16.678 128 3HE MET 73 3HE MET 73 -1.006 2.309 17.630 129 H LEU 74 H LEU 74 1.618 -0.696 11.716 130 HA LEU 74 HA LEU 74 -0.108 -3.065 11.256 131 1HB LEU 74 1HB LEU 74 2.504 -2.259 9.874 132 2HB LEU 74 2HB LEU 74 1.479 -3.587 9.363 133 HG LEU 74 HG LEU 74 0.666 -0.616 9.395 134 1HD1 LEU 74 3HD1 LEU 74 1.367 -2.490 7.048 135 2HD1 LEU 74 1HD1 LEU 74 0.702 -0.846 6.899 136 3HD1 LEU 74 2HD1 LEU 74 2.295 -1.078 7.624 137 1HD2 LEU 74 2HD2 LEU 74 -0.980 -3.061 8.485 138 2HD2 LEU 74 3HD2 LEU 74 -1.384 -1.912 9.777 139 3HD2 LEU 74 1HD2 LEU 74 -1.383 -1.369 8.097 140 H SER 75 H SER 75 3.082 -2.789 12.818 141 HA SER 75 HA SER 75 3.682 -5.638 13.011 142 1HB SER 75 1HB SER 75 5.302 -3.803 13.565 143 2HB SER 75 2HB SER 75 4.378 -3.406 15.020 144 HG SER 75 HG SER 75 4.741 -5.568 15.708 145 H LYS 76 H LYS 76 1.454 -3.665 14.951 146 HA LYS 76 HA LYS 76 0.759 -5.646 17.005 147 1HB LYS 76 1HB LYS 76 0.346 -3.157 17.119 148 2HB LYS 76 2HB LYS 76 -0.826 -3.293 15.816 149 1HG LYS 76 1HG LYS 76 -2.289 -4.739 17.307 150 2HG LYS 76 2HG LYS 76 -1.080 -4.616 18.580 151 1HD LYS 76 1HD LYS 76 -2.822 -3.039 19.088 152 2HD LYS 76 2HD LYS 76 -1.394 -2.108 18.655 153 1HE LYS 76 1HE LYS 76 -2.374 -1.698 16.329 154 2HE LYS 76 2HE LYS 76 -3.785 -2.675 16.756 155 1HZ LYS 76 2HZ LYS 76 -2.957 -0.165 18.135 156 2HZ LYS 76 3HZ LYS 76 -4.201 -0.313 17.058 157 3HZ LYS 76 1HZ LYS 76 -4.284 -1.069 18.524 158 H GLN 77 H GLN 77 -0.623 -5.020 13.748 159 HA GLN 77 HA GLN 77 -2.870 -6.777 13.991 160 1HB GLN 77 1HB GLN 77 -1.498 -5.448 11.602 161 2HB GLN 77 2HB GLN 77 -2.576 -6.773 11.266 162 1HG GLN 77 1HG GLN 77 -3.916 -4.879 11.075 163 2HG GLN 77 2HG GLN 77 -4.447 -5.717 12.508 164 1HE2 GLN 77 2HE2 GLN 77 -3.395 -1.859 12.879 165 2HE2 GLN 77 1HE2 GLN 77 -3.300 -2.743 11.278 166 H ARG 78 H ARG 78 -3.194 -8.655 13.719 167 HA ARG 78 HA ARG 78 -1.221 -10.847 13.488 168 1HB ARG 78 1HB ARG 78 -3.173 -12.347 13.801 169 2HB ARG 78 2HB ARG 78 -3.055 -11.120 15.013 170 1HG ARG 78 1HG ARG 78 -4.958 -10.629 12.630 171 2HG ARG 78 2HG ARG 78 -5.389 -11.826 13.837 172 1HD ARG 78 1HD ARG 78 -5.063 -10.004 15.656 173 2HD ARG 78 2HD ARG 78 -4.905 -8.821 14.347 174 HE ARG 78 HE ARG 78 -7.350 -10.311 13.857 175 1HH1 ARG 78 2HH2 ARG 78 -6.103 -8.045 16.297 176 2HH1 ARG 78 1HH2 ARG 78 -7.817 -7.592 16.772 177 1HH2 ARG 78 1HH1 ARG 78 -9.254 -9.724 14.480 178 2HH2 ARG 78 2HH1 ARG 78 -9.479 -8.481 15.810 179 H HIS 79 H HIS 79 -2.865 -9.308 10.894 180 HA HIS 79 HA HIS 79 -3.335 -11.781 9.306 181 1HB HIS 79 1HB HIS 79 -3.628 -9.031 8.019 182 2HB HIS 79 2HB HIS 79 -4.476 -10.504 7.705 183 HD2 HIS 79 HD2 HIS 79 -6.554 -11.183 9.450 184 HE1 HIS 79 HE1 HIS 79 -6.625 -7.593 11.539 185 HE2 HIS 79 HE2 HIS 79 -7.943 -9.775 11.216 186 H ASP 80 H ASP 80 -2.168 -12.555 7.614 187 HA ASP 80 HA ASP 80 0.557 -11.424 6.994 188 1HB ASP 80 1HB ASP 80 0.079 -13.934 7.220 189 2HB ASP 80 2HB ASP 80 -0.835 -13.876 5.725 190 H GLY 81 H GLY 81 0.515 -9.672 5.809 191 1HA GLY 81 1HA GLY 81 0.122 -8.545 3.544 192 2HA GLY 81 2HA GLY 81 -1.431 -9.335 3.456 193 H ALA 82 H ALA 82 -0.724 -8.007 6.608 194 HA ALA 82 HA ALA 82 -3.152 -6.336 6.447 195 1HB ALA 82 1HB ALA 82 -2.315 -7.441 8.633 196 2HB ALA 82 2HB ALA 82 -1.106 -6.152 8.744 197 3HB ALA 82 3HB ALA 82 -2.831 -5.758 8.767 198 H PHE 83 H PHE 83 -3.243 -4.372 5.582 199 HA PHE 83 HA PHE 83 -0.713 -2.659 5.424 200 1HB PHE 83 1HB PHE 83 -0.893 -2.389 3.132 201 2HB PHE 83 2HB PHE 83 -1.184 -4.051 3.372 202 HD1 PHE 83 HD2 PHE 83 -3.594 -4.973 3.020 203 HD2 PHE 83 HD1 PHE 83 -2.648 -0.847 2.297 204 HE1 PHE 83 HE2 PHE 83 -5.833 -4.621 2.042 205 HE2 PHE 83 HE1 PHE 83 -4.832 -0.520 1.274 206 HZ PHE 83 HZ PHE 83 -6.458 -2.393 1.163 207 H LEU 84 H LEU 84 -0.874 -0.540 4.959 208 HA LEU 84 HA LEU 84 -3.505 0.870 5.000 209 1HB LEU 84 1HB LEU 84 -3.032 2.561 6.629 210 2HB LEU 84 2HB LEU 84 -3.104 0.972 7.327 211 HG LEU 84 HG LEU 84 -0.382 1.143 7.173 212 1HD1 LEU 84 3HD2 LEU 84 -0.318 3.440 6.085 213 2HD1 LEU 84 1HD2 LEU 84 -1.217 4.111 7.456 214 3HD1 LEU 84 2HD2 LEU 84 0.420 3.457 7.688 215 1HD2 LEU 84 2HD1 LEU 84 -1.711 0.793 9.282 216 2HD2 LEU 84 3HD1 LEU 84 -0.363 1.916 9.537 217 3HD2 LEU 84 1HD1 LEU 84 -2.026 2.539 9.384 218 H ILE 85 H ILE 85 -3.497 2.136 3.259 219 HA ILE 85 HA ILE 85 -0.924 3.076 2.001 220 HB ILE 85 HB ILE 85 -3.845 3.478 1.184 221 1HG1 ILE 85 1HG1 ILE 85 -1.512 2.010 -0.222 222 2HG1 ILE 85 2HG1 ILE 85 -2.625 1.198 0.863 223 1HG2 ILE 85 2HG2 ILE 85 -2.611 5.555 0.498 224 2HG2 ILE 85 3HG2 ILE 85 -1.344 4.578 -0.277 225 3HG2 ILE 85 1HG2 ILE 85 -3.010 4.586 -0.915 226 1HD1 ILE 85 2HD1 ILE 85 -3.500 2.537 -1.758 227 2HD1 ILE 85 3HD1 ILE 85 -3.260 0.798 -1.461 228 3HD1 ILE 85 1HD1 ILE 85 -4.550 1.665 -0.604 229 H ARG 86 H ARG 86 0.055 4.599 3.040 230 HA ARG 86 HA ARG 86 -1.362 6.898 4.433 231 1HB ARG 86 1HB ARG 86 0.716 7.491 5.437 232 2HB ARG 86 2HB ARG 86 0.427 5.789 5.706 233 1HG ARG 86 1HG ARG 86 2.124 5.281 3.816 234 2HG ARG 86 2HG ARG 86 2.422 7.018 3.699 235 1HD ARG 86 1HD ARG 86 3.036 6.950 6.253 236 2HD ARG 86 2HD ARG 86 2.928 5.204 6.136 237 HE ARG 86 HE ARG 86 4.960 5.100 4.828 238 1HH1 ARG 86 2HH2 ARG 86 4.077 8.500 5.404 239 2HH1 ARG 86 1HH2 ARG 86 5.750 9.034 4.871 240 1HH2 ARG 86 1HH1 ARG 86 6.821 5.822 4.245 241 2HH2 ARG 86 2HH1 ARG 86 7.197 7.618 4.260 242 H GLU 87 H GLU 87 -0.753 9.030 3.976 243 HA GLU 87 HA GLU 87 -0.054 9.643 1.074 244 1HB GLU 87 1HB GLU 87 -2.092 10.667 2.075 245 2HB GLU 87 2HB GLU 87 -1.131 11.482 3.300 246 1HG GLU 87 1HG GLU 87 -0.004 12.867 1.570 247 2HG GLU 87 2HG GLU 87 -0.703 11.908 0.270 248 H SER 88 H SER 88 1.872 10.440 0.554 249 HA SER 88 HA SER 88 4.142 10.256 2.371 250 1HB SER 88 1HB SER 88 4.089 11.586 -0.407 251 2HB SER 88 2HB SER 88 5.534 11.166 0.510 252 HG SER 88 HG SER 88 4.822 8.998 0.508 253 H GLU 89 H GLU 89 5.142 11.683 3.568 254 HA GLU 89 HA GLU 89 3.731 13.848 4.677 255 1HB GLU 89 1HB GLU 89 6.761 13.513 4.939 256 2HB GLU 89 2HB GLU 89 5.717 14.413 6.019 257 1HG GLU 89 1HG GLU 89 5.832 11.363 5.657 258 2HG GLU 89 2HG GLU 89 6.342 12.289 7.051 259 H SER 90 H SER 90 6.652 14.386 2.637 260 HA SER 90 HA SER 90 6.214 17.326 2.534 261 1HB SER 90 1HB SER 90 8.492 16.293 2.380 262 2HB SER 90 2HB SER 90 8.082 15.590 0.810 263 HG SER 90 HG SER 90 9.156 17.577 0.659 264 H ALA 91 H ALA 91 5.543 14.669 0.221 265 HA ALA 91 HA ALA 91 4.290 16.696 -1.725 266 1HB ALA 91 3HB ALA 91 5.467 13.927 -2.332 267 2HB ALA 91 1HB ALA 91 4.700 15.022 -3.506 268 3HB ALA 91 2HB ALA 91 6.199 15.510 -2.691 269 HA PRO 92 HA PRO 92 0.580 14.298 -0.276 270 1HB PRO 92 1HB PRO 92 -1.455 16.106 -0.968 271 2HB PRO 92 2HB PRO 92 -0.441 16.244 0.475 272 1HG PRO 92 1HG PRO 92 -0.058 17.642 -2.216 273 2HG PRO 92 2HG PRO 92 0.011 18.365 -0.592 274 1HD PRO 92 1HD PRO 92 2.287 17.640 -1.990 275 2HD PRO 92 2HD PRO 92 2.228 17.518 -0.204 276 H GLY 93 H GLY 93 0.950 15.386 -3.495 277 1HA GLY 93 1HA GLY 93 -1.072 13.574 -4.780 278 2HA GLY 93 2HA GLY 93 0.246 14.377 -5.610 279 H ASP 94 H ASP 94 2.013 13.009 -3.361 280 HA ASP 94 HA ASP 94 2.430 10.342 -4.813 281 1HB ASP 94 1HB ASP 94 4.371 11.912 -2.991 282 2HB ASP 94 2HB ASP 94 4.612 10.235 -3.432 283 H PHE 95 H PHE 95 1.950 8.573 -3.743 284 HA PHE 95 HA PHE 95 1.240 8.610 -0.762 285 1HB PHE 95 1HB PHE 95 -0.066 7.073 -3.118 286 2HB PHE 95 2HB PHE 95 -0.412 6.778 -1.447 287 HD1 PHE 95 HD1 PHE 95 -1.718 8.454 -0.082 288 HD2 PHE 95 HD2 PHE 95 -0.888 9.176 -4.239 289 HE1 PHE 95 HE1 PHE 95 -3.346 10.304 -0.102 290 HE2 PHE 95 HE2 PHE 95 -2.519 11.025 -4.231 291 HZ PHE 95 HZ PHE 95 -3.748 11.585 -2.169 292 H SER 96 H SER 96 1.322 6.355 0.149 293 HA SER 96 HA SER 96 3.584 4.622 -0.956 294 1HB SER 96 1HB SER 96 3.654 5.842 1.881 295 2HB SER 96 2HB SER 96 4.690 4.527 1.318 296 HG SER 96 HG SER 96 5.421 5.904 -0.343 297 H LEU 97 H LEU 97 2.799 2.671 -0.991 298 HA LEU 97 HA LEU 97 0.598 1.627 0.795 299 1HB LEU 97 1HB LEU 97 0.622 0.978 -1.554 300 2HB LEU 97 2HB LEU 97 2.257 0.345 -1.432 301 HG LEU 97 HG LEU 97 1.373 -1.358 0.283 302 1HD1 LEU 97 3HD2 LEU 97 -0.782 -0.314 0.910 303 2HD1 LEU 97 1HD2 LEU 97 -1.405 -0.547 -0.747 304 3HD1 LEU 97 2HD2 LEU 97 -1.026 -1.951 0.280 305 1HD2 LEU 97 2HD1 LEU 97 1.913 -1.995 -2.072 306 2HD2 LEU 97 3HD1 LEU 97 0.529 -2.916 -1.453 307 3HD2 LEU 97 1HD1 LEU 97 0.259 -1.567 -2.586 308 H SER 98 H SER 98 1.216 1.369 2.748 309 HA SER 98 HA SER 98 3.866 0.108 3.665 310 1HB SER 98 1HB SER 98 1.638 1.014 5.525 311 2HB SER 98 2HB SER 98 3.349 0.820 5.870 312 HG SER 98 HG SER 98 2.717 2.970 5.651 313 H VAL 99 H VAL 99 3.708 -2.128 3.421 314 HA VAL 99 HA VAL 99 1.125 -3.589 4.228 315 HB VAL 99 HB VAL 99 0.923 -3.289 1.870 316 1HG1 VAL 99 2HG1 VAL 99 3.244 -2.944 1.088 317 2HG1 VAL 99 3HG1 VAL 99 3.643 -4.650 1.398 318 3HG1 VAL 99 1HG1 VAL 99 2.458 -4.217 0.136 319 1HG2 VAL 99 2HG2 VAL 99 0.224 -5.561 2.876 320 2HG2 VAL 99 3HG2 VAL 99 0.493 -5.557 1.122 321 3HG2 VAL 99 1HG2 VAL 99 1.711 -6.244 2.224 322 H LYS 100 H LYS 100 1.413 -5.434 5.237 323 HA LYS 100 HA LYS 100 4.114 -6.359 6.170 324 1HB LYS 100 1HB LYS 100 1.385 -7.715 6.539 325 2HB LYS 100 2HB LYS 100 2.895 -8.362 7.151 326 1HG LYS 100 1HG LYS 100 3.246 -6.335 8.593 327 2HG LYS 100 2HG LYS 100 1.753 -5.638 7.975 328 1HD LYS 100 1HD LYS 100 1.029 -6.600 9.997 329 2HD LYS 100 2HD LYS 100 0.518 -7.752 8.806 330 1HE LYS 100 1HE LYS 100 1.383 -9.063 10.593 331 2HE LYS 100 2HE LYS 100 2.611 -9.179 9.341 332 1HZ LYS 100 3HZ LYS 100 2.709 -7.356 11.707 333 2HZ LYS 100 1HZ LYS 100 3.585 -8.744 11.513 334 3HZ LYS 100 2HZ LYS 100 3.877 -7.440 10.541 335 H PHE 101 H PHE 101 5.405 -7.542 4.990 336 HA PHE 101 HA PHE 101 4.344 -9.678 3.038 337 1HB PHE 101 1HB PHE 101 6.922 -8.014 2.942 338 2HB PHE 101 2HB PHE 101 6.850 -9.607 2.247 339 HD1 PHE 101 HD1 PHE 101 3.703 -7.530 1.773 340 HD2 PHE 101 HD2 PHE 101 7.521 -8.719 0.152 341 HE1 PHE 101 HE1 PHE 101 3.051 -6.694 -0.426 342 HE2 PHE 101 HE2 PHE 101 6.858 -7.822 -2.021 343 HZ PHE 101 HZ PHE 101 4.624 -6.851 -2.334 344 H GLY 102 H GLY 102 4.049 -11.251 4.477 345 1HA GLY 102 1HA GLY 102 4.728 -13.140 5.854 346 2HA GLY 102 2HA GLY 102 6.371 -12.542 5.927 347 H ASN 103 H ASN 103 6.917 -11.162 7.545 348 HA ASN 103 HA ASN 103 4.822 -9.988 9.404 349 1HB ASN 103 1HB ASN 103 7.385 -11.385 10.410 350 2HB ASN 103 2HB ASN 103 6.373 -10.365 11.405 351 1HD2 ASN 103 1HD2 ASN 103 5.221 -14.204 11.062 352 2HD2 ASN 103 2HD2 ASN 103 6.806 -13.550 10.408 353 H ASP 104 H ASP 104 7.599 -9.384 7.602 354 HA ASP 104 HA ASP 104 8.356 -6.854 9.119 355 1HB ASP 104 1HB ASP 104 9.571 -7.945 6.505 356 2HB ASP 104 2HB ASP 104 10.072 -6.479 7.328 357 H VAL 105 H VAL 105 7.912 -4.877 8.407 358 HA VAL 105 HA VAL 105 5.588 -4.589 6.468 359 HB VAL 105 HB VAL 105 6.708 -2.530 8.430 360 1HG1 VAL 105 3HG2 VAL 105 5.542 -1.426 6.473 361 2HG1 VAL 105 1HG2 VAL 105 4.106 -2.424 6.751 362 3HG1 VAL 105 2HG2 VAL 105 4.619 -1.218 7.964 363 1HG2 VAL 105 2HG1 VAL 105 5.578 -4.457 9.629 364 2HG2 VAL 105 3HG1 VAL 105 4.705 -2.932 9.817 365 3HG2 VAL 105 1HG1 VAL 105 4.101 -4.164 8.680 366 H GLN 106 H GLN 106 6.258 -4.462 4.472 367 HA GLN 106 HA GLN 106 8.733 -2.878 3.648 368 1HB GLN 106 1HB GLN 106 7.108 -5.032 2.166 369 2HB GLN 106 2HB GLN 106 8.330 -4.035 1.386 370 1HG GLN 106 1HG GLN 106 10.092 -4.807 2.954 371 2HG GLN 106 2HG GLN 106 8.920 -5.766 3.852 372 1HE2 GLN 106 2HE2 GLN 106 10.003 -8.499 1.781 373 2HE2 GLN 106 1HE2 GLN 106 9.842 -7.761 3.453 374 H HIS 107 H HIS 107 8.497 -0.966 2.863 375 HA HIS 107 HA HIS 107 5.807 0.184 2.138 376 1HB HIS 107 1HB HIS 107 8.568 1.342 2.885 377 2HB HIS 107 2HB HIS 107 7.376 2.329 2.124 378 HD2 HIS 107 HD2 HIS 107 7.255 -0.139 5.228 379 HE1 HIS 107 HE1 HIS 107 5.024 3.194 6.203 380 HE2 HIS 107 HE2 HIS 107 5.892 1.005 7.178 381 H PHE 108 H PHE 108 5.280 0.668 0.120 382 HA PHE 108 HA PHE 108 7.353 0.589 -2.157 383 1HB PHE 108 1HB PHE 108 4.498 -0.525 -2.304 384 2HB PHE 108 2HB PHE 108 5.620 -0.433 -3.630 385 HD1 PHE 108 HD2 PHE 108 7.723 -1.877 -3.663 386 HD2 PHE 108 HD1 PHE 108 4.732 -2.336 -0.606 387 HE1 PHE 108 HE2 PHE 108 8.712 -4.033 -3.005 388 HE2 PHE 108 HE1 PHE 108 5.741 -4.486 0.044 389 HZ PHE 108 HZ PHE 108 7.737 -5.328 -1.145 390 H LYS 109 H LYS 109 7.334 2.303 -3.331 391 HA LYS 109 HA LYS 109 5.621 4.606 -2.549 392 1HB LYS 109 1HB LYS 109 8.113 4.785 -2.917 393 2HB LYS 109 2HB LYS 109 7.890 4.481 -4.625 394 1HG LYS 109 1HG LYS 109 8.189 6.836 -4.409 395 2HG LYS 109 2HG LYS 109 6.510 6.594 -4.821 396 1HD LYS 109 1HD LYS 109 6.560 8.331 -3.199 397 2HD LYS 109 2HD LYS 109 5.863 6.941 -2.381 398 1HE LYS 109 1HE LYS 109 8.084 6.471 -1.251 399 2HE LYS 109 2HE LYS 109 8.828 7.813 -2.133 400 1HZ LYS 109 2HZ LYS 109 7.273 9.328 -1.018 401 2HZ LYS 109 3HZ LYS 109 6.583 8.074 -0.192 402 3HZ LYS 109 1HZ LYS 109 8.161 8.478 0.086 403 H VAL 110 H VAL 110 3.772 4.990 -3.392 404 HA VAL 110 HA VAL 110 2.898 4.225 -6.201 405 HB VAL 110 HB VAL 110 1.390 5.560 -3.879 406 1HG1 VAL 110 3HG1 VAL 110 0.301 4.697 -6.623 407 2HG1 VAL 110 1HG1 VAL 110 -0.710 5.196 -5.238 408 3HG1 VAL 110 2HG1 VAL 110 0.383 6.360 -5.998 409 1HG2 VAL 110 3HG2 VAL 110 1.822 3.102 -3.469 410 2HG2 VAL 110 1HG2 VAL 110 0.101 3.461 -3.670 411 3HG2 VAL 110 2HG2 VAL 110 1.008 2.714 -5.004 412 H LEU 111 H LEU 111 3.975 5.478 -7.576 413 HA LEU 111 HA LEU 111 3.971 8.528 -7.200 414 1HB LEU 111 1HB LEU 111 6.145 8.708 -8.147 415 2HB LEU 111 2HB LEU 111 6.140 7.629 -6.799 416 HG LEU 111 HG LEU 111 5.923 5.740 -8.835 417 1HD1 LEU 111 3HD2 LEU 111 6.036 7.473 -10.666 418 2HD1 LEU 111 1HD2 LEU 111 7.615 8.022 -10.062 419 3HD1 LEU 111 2HD2 LEU 111 7.430 6.377 -10.717 420 1HD2 LEU 111 2HD1 LEU 111 7.607 5.671 -7.011 421 2HD2 LEU 111 3HD1 LEU 111 8.371 5.354 -8.580 422 3HD2 LEU 111 1HD1 LEU 111 8.566 6.947 -7.802 423 H ARG 112 H ARG 112 3.584 9.852 -8.866 424 HA ARG 112 HA ARG 112 1.732 8.716 -10.907 425 1HB ARG 112 1HB ARG 112 2.446 11.629 -10.186 426 2HB ARG 112 2HB ARG 112 1.255 11.199 -11.399 427 1HG ARG 112 1HG ARG 112 -0.188 10.068 -9.726 428 2HG ARG 112 2HG ARG 112 0.978 10.412 -8.438 429 1HD ARG 112 1HD ARG 112 0.764 12.880 -8.855 430 2HD ARG 112 2HD ARG 112 -0.350 12.573 -10.199 431 HE ARG 112 HE ARG 112 -1.524 11.342 -7.858 432 1HH1 ARG 112 2HH2 ARG 112 -0.738 14.618 -9.003 433 2HH1 ARG 112 1HH2 ARG 112 -2.121 15.311 -8.016 434 1HH2 ARG 112 1HH1 ARG 112 -3.072 12.249 -6.772 435 2HH2 ARG 112 2HH1 ARG 112 -3.346 14.062 -6.842 436 H ASP 113 H ASP 113 1.629 9.247 -13.062 437 HA ASP 113 HA ASP 113 4.208 10.100 -14.472 438 1HB ASP 113 1HB ASP 113 3.468 9.039 -16.552 439 2HB ASP 113 2HB ASP 113 3.861 7.939 -15.271 440 H GLY 114 H GLY 114 0.650 10.336 -15.133 441 1HA GLY 114 1HA GLY 114 1.143 13.016 -16.500 442 2HA GLY 114 2HA GLY 114 -0.293 12.026 -16.627 443 H ALA 115 H ALA 115 -1.977 12.985 -15.710 444 HA ALA 115 HA ALA 115 -1.732 15.206 -13.734 445 1HB ALA 115 2HB ALA 115 -3.389 15.381 -15.550 446 2HB ALA 115 3HB ALA 115 -4.269 13.954 -14.946 447 3HB ALA 115 1HB ALA 115 -4.194 15.440 -13.969 448 H GLY 116 H GLY 116 -3.702 12.191 -13.532 449 1HA GLY 116 1HA GLY 116 -2.657 11.738 -10.687 450 2HA GLY 116 2HA GLY 116 -4.398 11.736 -10.934 451 H LYS 117 H LYS 117 -1.555 10.397 -12.680 452 HA LYS 117 HA LYS 117 -3.043 7.743 -13.082 453 1HB LYS 117 1HB LYS 117 -0.819 9.129 -14.683 454 2HB LYS 117 2HB LYS 117 -1.096 7.414 -14.799 455 1HG LYS 117 1HG LYS 117 -2.209 8.394 -16.624 456 2HG LYS 117 2HG LYS 117 -3.431 7.715 -15.557 457 1HD LYS 117 1HD LYS 117 -4.010 9.982 -14.698 458 2HD LYS 117 2HD LYS 117 -2.673 10.709 -15.599 459 1HE LYS 117 1HE LYS 117 -3.777 9.997 -17.784 460 2HE LYS 117 2HE LYS 117 -5.108 9.268 -16.870 461 1HZ LYS 117 3HZ LYS 117 -4.366 12.156 -16.800 462 2HZ LYS 117 1HZ LYS 117 -5.653 11.506 -17.606 463 3HZ LYS 117 2HZ LYS 117 -5.611 11.474 -15.955 464 H TYR 118 H TYR 118 -2.645 6.969 -11.085 465 HA TYR 118 HA TYR 118 -0.040 7.028 -9.716 466 1HB TYR 118 1HB TYR 118 -2.557 5.364 -9.015 467 2HB TYR 118 2HB TYR 118 -1.225 5.698 -7.953 468 HD1 TYR 118 HD1 TYR 118 -0.787 8.202 -7.245 469 HD2 TYR 118 HD2 TYR 118 -4.456 6.836 -9.041 470 HE1 TYR 118 HE1 TYR 118 -1.983 10.120 -6.298 471 HE2 TYR 118 HE2 TYR 118 -5.632 8.762 -8.096 472 HH TYR 118 HH TYR 118 -3.946 11.140 -6.048 473 H PHE 119 H PHE 119 1.584 5.616 -9.982 474 HA PHE 119 HA PHE 119 1.001 2.690 -10.581 475 1HB PHE 119 1HB PHE 119 2.400 2.397 -12.370 476 2HB PHE 119 2HB PHE 119 1.457 3.791 -12.768 477 HD1 PHE 119 HD1 PHE 119 2.553 6.159 -12.643 478 HD2 PHE 119 HD2 PHE 119 4.819 2.514 -12.341 479 HE1 PHE 119 HE1 PHE 119 4.618 7.377 -13.203 480 HE2 PHE 119 HE2 PHE 119 6.866 3.751 -12.933 481 HZ PHE 119 HZ PHE 119 6.765 6.179 -13.381 482 H LEU 120 H LEU 120 1.960 1.460 -9.204 483 HA LEU 120 HA LEU 120 4.604 2.264 -7.899 484 1HB LEU 120 1HB LEU 120 4.268 0.982 -6.003 485 2HB LEU 120 2HB LEU 120 2.889 2.020 -6.181 486 HG LEU 120 HG LEU 120 2.907 -1.010 -6.758 487 1HD1 LEU 120 2HD1 LEU 120 3.234 -0.511 -4.348 488 2HD1 LEU 120 3HD1 LEU 120 1.767 0.495 -4.324 489 3HD1 LEU 120 1HD1 LEU 120 1.654 -1.254 -4.641 490 1HD2 LEU 120 2HD2 LEU 120 0.541 0.969 -6.728 491 2HD2 LEU 120 3HD2 LEU 120 1.100 0.003 -8.114 492 3HD2 LEU 120 1HD2 LEU 120 0.362 -0.797 -6.724 493 H TRP 121 H TRP 121 2.840 -0.530 -9.261 494 HA TRP 121 HA TRP 121 5.292 -2.256 -9.265 495 1HB TRP 121 1HB TRP 121 3.083 -3.022 -8.418 496 2HB TRP 121 2HB TRP 121 2.346 -2.777 -9.980 497 HD1 TRP 121 HD1 TRP 121 5.356 -4.925 -8.526 498 HE1 TRP 121 HE1 TRP 121 5.074 -7.450 -9.233 499 HE3 TRP 121 HE3 TRP 121 1.264 -4.233 -11.498 500 HZ2 TRP 121 HZ2 TRP 121 3.129 -8.828 -10.827 501 HZ3 TRP 121 HZ3 TRP 121 0.209 -6.200 -12.546 502 HH2 TRP 121 HH2 TRP 121 1.120 -8.461 -12.209 503 H VAL 122 H VAL 122 2.860 -1.670 -11.878 504 HA VAL 122 HA VAL 122 4.996 -0.796 -13.744 505 HB VAL 122 HB VAL 122 5.230 -3.227 -13.937 506 1HG1 VAL 122 3HG2 VAL 122 2.868 -4.039 -13.674 507 2HG1 VAL 122 1HG2 VAL 122 2.503 -3.471 -15.321 508 3HG1 VAL 122 2HG2 VAL 122 3.713 -4.742 -15.063 509 1HG2 VAL 122 2HG1 VAL 122 5.914 -1.745 -15.814 510 2HG2 VAL 122 3HG1 VAL 122 5.402 -3.341 -16.396 511 3HG2 VAL 122 1HG1 VAL 122 4.314 -1.941 -16.571 512 H VAL 123 H VAL 123 1.699 -2.031 -14.100 513 HA VAL 123 HA VAL 123 1.010 0.101 -15.980 514 HB VAL 123 HB VAL 123 0.187 -2.208 -16.173 515 1HG1 VAL 123 3HG1 VAL 123 -0.478 -2.746 -13.799 516 2HG1 VAL 123 1HG1 VAL 123 -1.855 -1.628 -13.942 517 3HG1 VAL 123 2HG1 VAL 123 -1.777 -3.087 -14.958 518 1HG2 VAL 123 3HG2 VAL 123 -0.914 -0.378 -17.456 519 2HG2 VAL 123 1HG2 VAL 123 -2.034 -1.703 -17.087 520 3HG2 VAL 123 2HG2 VAL 123 -2.125 -0.183 -16.166 521 H LYS 124 H LYS 124 -0.198 1.875 -15.822 522 HA LYS 124 HA LYS 124 -0.545 3.076 -13.112 523 1HB LYS 124 1HB LYS 124 -0.633 5.173 -14.102 524 2HB LYS 124 2HB LYS 124 0.581 4.313 -14.996 525 1HG LYS 124 1HG LYS 124 -2.278 4.985 -15.952 526 2HG LYS 124 2HG LYS 124 -0.800 5.824 -16.384 527 1HD LYS 124 1HD LYS 124 0.054 3.706 -17.542 528 2HD LYS 124 2HD LYS 124 -1.482 2.935 -17.168 529 1HE LYS 124 1HE LYS 124 -1.665 3.680 -19.437 530 2HE LYS 124 2HE LYS 124 -2.715 4.735 -18.495 531 1HZ LYS 124 1HZ LYS 124 0.035 5.422 -19.438 532 2HZ LYS 124 2HZ LYS 124 -1.380 5.985 -20.077 533 3HZ LYS 124 3HZ LYS 124 -0.930 6.425 -18.549 534 H PHE 125 H PHE 125 -2.341 4.317 -12.485 535 HA PHE 125 HA PHE 125 -5.083 3.181 -13.263 536 1HB PHE 125 1HB PHE 125 -3.998 3.317 -10.371 537 2HB PHE 125 2HB PHE 125 -5.627 2.883 -10.819 538 HD1 PHE 125 HD1 PHE 125 -5.993 0.744 -12.299 539 HD2 PHE 125 HD2 PHE 125 -2.258 1.609 -10.340 540 HE1 PHE 125 HE1 PHE 125 -5.288 -1.598 -12.576 541 HE2 PHE 125 HE2 PHE 125 -1.579 -0.734 -10.619 542 HZ PHE 125 HZ PHE 125 -3.067 -2.322 -11.782 543 H ASN 126 H ASN 126 -6.424 4.812 -13.544 544 HA ASN 126 HA ASN 126 -5.860 7.582 -12.945 545 1HB ASN 126 1HB ASN 126 -8.120 8.140 -13.663 546 2HB ASN 126 2HB ASN 126 -7.294 7.088 -14.770 547 1HD2 ASN 126 1HD2 ASN 126 -9.955 4.672 -14.670 548 2HD2 ASN 126 2HD2 ASN 126 -8.371 5.239 -15.403 549 H SER 127 H SER 127 -7.634 5.311 -10.864 550 HA SER 127 HA SER 127 -8.079 7.590 -8.844 551 1HB SER 127 1HB SER 127 -9.791 5.063 -9.319 552 2HB SER 127 2HB SER 127 -10.033 6.219 -8.008 553 HG SER 127 HG SER 127 -11.319 6.661 -9.800 554 H LEU 128 H LEU 128 -7.591 7.294 -6.783 555 HA LEU 128 HA LEU 128 -5.966 4.887 -5.889 556 1HB LEU 128 1HB LEU 128 -5.273 7.319 -5.316 557 2HB LEU 128 2HB LEU 128 -6.662 7.391 -4.260 558 HG LEU 128 HG LEU 128 -5.644 5.238 -3.084 559 1HD1 LEU 128 3HD1 LEU 128 -3.937 4.640 -4.839 560 2HD1 LEU 128 1HD1 LEU 128 -3.113 6.198 -4.592 561 3HD1 LEU 128 2HD1 LEU 128 -3.151 4.984 -3.291 562 1HD2 LEU 128 3HD2 LEU 128 -5.683 7.475 -2.003 563 2HD2 LEU 128 1HD2 LEU 128 -4.155 6.651 -1.646 564 3HD2 LEU 128 2HD2 LEU 128 -4.199 7.951 -2.862 565 H ASN 129 H ASN 129 -7.400 3.378 -5.856 566 HA ASN 129 HA ASN 129 -9.188 2.445 -3.979 567 1HB ASN 129 1HB ASN 129 -10.725 4.395 -4.158 568 2HB ASN 129 2HB ASN 129 -11.001 4.061 -5.855 569 1HD2 ASN 129 1HD2 ASN 129 -13.350 1.406 -5.020 570 2HD2 ASN 129 2HD2 ASN 129 -12.352 2.228 -6.324 571 H GLU 130 H GLU 130 -9.394 3.115 -7.555 572 HA GLU 130 HA GLU 130 -9.720 0.414 -8.527 573 1HB GLU 130 1HB GLU 130 -10.038 2.613 -9.768 574 2HB GLU 130 2HB GLU 130 -8.297 2.877 -9.746 575 1HG GLU 130 1HG GLU 130 -8.034 0.726 -11.117 576 2HG GLU 130 2HG GLU 130 -9.797 0.610 -11.184 577 H LEU 131 H LEU 131 -6.684 2.260 -7.889 578 HA LEU 131 HA LEU 131 -4.732 0.228 -8.542 579 1HB LEU 131 1HB LEU 131 -4.284 2.617 -8.163 580 2HB LEU 131 2HB LEU 131 -4.644 2.510 -6.463 581 HG LEU 131 HG LEU 131 -2.375 0.787 -7.628 582 1HD1 LEU 131 2HD1 LEU 131 -1.996 3.090 -8.509 583 2HD1 LEU 131 3HD1 LEU 131 -2.123 3.766 -6.868 584 3HD1 LEU 131 1HD1 LEU 131 -0.775 2.684 -7.299 585 1HD2 LEU 131 2HD2 LEU 131 -2.769 2.124 -4.855 586 2HD2 LEU 131 3HD2 LEU 131 -2.868 0.383 -5.204 587 3HD2 LEU 131 1HD2 LEU 131 -1.322 1.216 -5.343 588 H VAL 132 H VAL 132 -6.152 0.834 -5.286 589 HA VAL 132 HA VAL 132 -4.707 -1.404 -4.077 590 HB VAL 132 HB VAL 132 -5.358 0.606 -2.837 591 1HG1 VAL 132 1HG2 VAL 132 -7.686 0.974 -3.580 592 2HG1 VAL 132 2HG2 VAL 132 -8.246 -0.462 -2.688 593 3HG1 VAL 132 3HG2 VAL 132 -7.564 0.931 -1.820 594 1HG2 VAL 132 2HG1 VAL 132 -4.641 -1.371 -1.579 595 2HG2 VAL 132 3HG1 VAL 132 -5.905 -0.496 -0.688 596 3HG2 VAL 132 1HG1 VAL 132 -6.303 -2.009 -1.530 597 H ASP 133 H ASP 133 -8.184 -1.201 -5.007 598 HA ASP 133 HA ASP 133 -8.841 -3.970 -4.403 599 1HB ASP 133 1HB ASP 133 -10.098 -2.053 -6.482 600 2HB ASP 133 2HB ASP 133 -10.732 -3.654 -6.161 601 H TYR 134 H TYR 134 -7.245 -2.680 -7.333 602 HA TYR 134 HA TYR 134 -7.235 -5.169 -8.879 603 1HB TYR 134 1HB TYR 134 -6.595 -3.028 -9.901 604 2HB TYR 134 2HB TYR 134 -5.258 -2.811 -8.810 605 HD1 TYR 134 HD1 TYR 134 -6.439 -4.722 -11.785 606 HD2 TYR 134 HD2 TYR 134 -3.123 -4.061 -9.123 607 HE1 TYR 134 HE1 TYR 134 -4.939 -5.876 -13.349 608 HE2 TYR 134 HE2 TYR 134 -1.637 -5.217 -10.688 609 HH TYR 134 HH TYR 134 -1.466 -6.250 -12.657 610 H HIS 135 H HIS 135 -4.762 -3.914 -6.526 611 HA HIS 135 HA HIS 135 -3.403 -6.539 -6.515 612 1HB HIS 135 1HB HIS 135 -2.803 -3.978 -4.952 613 2HB HIS 135 2HB HIS 135 -1.969 -5.468 -4.591 614 HD2 HIS 135 HD2 HIS 135 -0.838 -2.646 -6.128 615 HE1 HIS 135 HE1 HIS 135 0.570 -5.499 -8.782 616 HE2 HIS 135 HE2 HIS 135 0.888 -3.042 -8.092 617 H ARG 136 H ARG 136 -6.158 -5.718 -4.729 618 HA ARG 136 HA ARG 136 -5.710 -7.695 -2.557 619 1HB ARG 136 1HB ARG 136 -8.231 -6.408 -3.727 620 2HB ARG 136 2HB ARG 136 -8.422 -7.930 -2.909 621 1HG ARG 136 1HG ARG 136 -8.812 -6.477 -1.166 622 2HG ARG 136 2HG ARG 136 -7.182 -7.010 -0.880 623 1HD ARG 136 1HD ARG 136 -6.814 -4.764 -0.513 624 2HD ARG 136 2HD ARG 136 -6.503 -4.759 -2.222 625 HE ARG 136 HE ARG 136 -8.584 -3.581 -2.648 626 1HH1 ARG 136 2HH2 ARG 136 -8.309 -4.358 0.811 627 2HH1 ARG 136 1HH2 ARG 136 -9.566 -3.081 1.207 628 1HH2 ARG 136 1HH1 ARG 136 -9.996 -2.157 -2.076 629 2HH2 ARG 136 2HH1 ARG 136 -10.452 -1.924 -0.314 630 H SER 137 H SER 137 -6.412 -8.104 -5.966 631 HA SER 137 HA SER 137 -6.631 -11.106 -5.664 632 1HB SER 137 1HB SER 137 -7.349 -9.387 -8.112 633 2HB SER 137 2HB SER 137 -7.349 -11.153 -8.075 634 HG SER 137 HG SER 137 -9.380 -10.280 -7.659 635 H THR 138 H THR 138 -4.830 -8.552 -7.471 636 HA THR 138 HA THR 138 -2.826 -10.586 -8.481 637 HB THR 138 HB THR 138 -3.051 -7.542 -9.007 638 HG1 THR 138 HG1 THR 138 -3.820 -9.778 -10.563 639 1HG2 THR 138 3HG2 THR 138 -1.355 -9.661 -10.494 640 2HG2 THR 138 1HG2 THR 138 -1.692 -8.026 -11.104 641 3HG2 THR 138 2HG2 THR 138 -0.750 -8.228 -9.624 642 H SER 139 H SER 139 -0.562 -10.320 -8.198 643 HA SER 139 HA SER 139 0.107 -9.729 -5.359 644 1HB SER 139 1HB SER 139 0.830 -11.840 -6.481 645 2HB SER 139 2HB SER 139 1.875 -10.926 -7.579 646 HG SER 139 HG SER 139 2.953 -11.717 -5.756 647 H VAL 140 H VAL 140 1.236 -8.121 -4.572 648 HA VAL 140 HA VAL 140 2.322 -5.834 -6.164 649 HB VAL 140 HB VAL 140 2.574 -6.453 -3.171 650 1HG1 VAL 140 3HG1 VAL 140 3.375 -3.831 -4.617 651 2HG1 VAL 140 1HG1 VAL 140 3.304 -4.067 -2.851 652 3HG1 VAL 140 2HG1 VAL 140 4.494 -4.951 -3.806 653 1HG2 VAL 140 1HG2 VAL 140 0.235 -5.894 -3.874 654 2HG2 VAL 140 2HG2 VAL 140 0.938 -4.619 -2.867 655 3HG2 VAL 140 3HG2 VAL 140 0.812 -4.380 -4.619 656 H SER 141 H SER 141 3.762 -8.736 -4.589 657 HA SER 141 HA SER 141 6.565 -8.059 -5.454 658 1HB SER 141 1HB SER 141 6.099 -9.471 -3.382 659 2HB SER 141 2HB SER 141 5.413 -10.729 -4.387 660 HG SER 141 HG SER 141 7.430 -10.803 -5.496 661 H ARG 142 H ARG 142 7.402 -8.624 -7.372 662 HA ARG 142 HA ARG 142 5.624 -9.572 -9.522 663 1HB ARG 142 1HB ARG 142 7.481 -7.752 -9.643 664 2HB ARG 142 2HB ARG 142 8.629 -9.062 -9.877 665 1HG ARG 142 1HG ARG 142 7.355 -9.781 -11.949 666 2HG ARG 142 2HG ARG 142 6.107 -8.584 -11.600 667 1HD ARG 142 1HD ARG 142 7.978 -6.746 -11.768 668 2HD ARG 142 2HD ARG 142 9.037 -8.011 -12.369 669 HE ARG 142 HE ARG 142 7.859 -8.038 -14.476 670 1HH1 ARG 142 2HH2 ARG 142 6.035 -6.052 -12.157 671 2HH1 ARG 142 1HH2 ARG 142 4.991 -5.399 -13.517 672 1HH2 ARG 142 2HH1 ARG 142 5.297 -6.022 -15.514 673 2HH2 ARG 142 1HH1 ARG 142 6.611 -7.229 -15.942 674 H ASN 143 H ASN 143 8.616 -11.050 -8.155 675 HA ASN 143 HA ASN 143 8.149 -13.642 -9.602 676 1HB ASN 143 1HB ASN 143 10.202 -12.958 -7.410 677 2HB ASN 143 2HB ASN 143 10.060 -14.519 -8.181 678 1HD2 ASN 143 1HD2 ASN 143 12.140 -11.671 -10.179 679 2HD2 ASN 143 2HD2 ASN 143 11.404 -11.391 -8.522 680 H GLN 144 H GLN 144 8.072 -12.737 -6.091 681 HA GLN 144 HA GLN 144 6.711 -15.306 -5.379 682 1HB GLN 144 1HB GLN 144 7.280 -12.829 -3.632 683 2HB GLN 144 2HB GLN 144 6.641 -14.339 -3.035 684 1HG GLN 144 1HG GLN 144 9.429 -13.984 -4.289 685 2HG GLN 144 2HG GLN 144 9.075 -14.053 -2.580 686 1HE2 GLN 144 2HE2 GLN 144 8.809 -17.670 -2.549 687 2HE2 GLN 144 1HE2 GLN 144 8.457 -16.107 -1.654 688 H GLN 145 H GLN 145 4.703 -15.442 -4.247 689 HA GLN 145 HA GLN 145 2.549 -13.535 -5.334 690 1HB GLN 145 1HB GLN 145 2.355 -16.473 -4.469 691 2HB GLN 145 2HB GLN 145 0.972 -15.448 -4.798 692 1HG GLN 145 1HG GLN 145 1.811 -15.015 -7.155 693 2HG GLN 145 2HG GLN 145 3.163 -16.096 -6.859 694 1HE2 GLN 145 2HE2 GLN 145 -0.510 -17.744 -7.666 695 2HE2 GLN 145 1HE2 GLN 145 -0.281 -15.938 -7.441 696 H ILE 146 H ILE 146 2.798 -11.965 -3.791 697 HA ILE 146 HA ILE 146 1.826 -12.642 -0.968 698 HB ILE 146 HB ILE 146 3.242 -10.001 -1.515 699 1HG1 ILE 146 1HG1 ILE 146 4.973 -11.514 -2.246 700 2HG1 ILE 146 2HG1 ILE 146 5.396 -10.749 -0.741 701 1HG2 ILE 146 2HG2 ILE 146 2.735 -11.682 1.030 702 2HG2 ILE 146 3HG2 ILE 146 3.734 -10.227 0.991 703 3HG2 ILE 146 1HG2 ILE 146 2.014 -10.112 0.605 704 1HD1 ILE 146 2HD1 ILE 146 4.467 -13.678 -1.036 705 2HD1 ILE 146 3HD1 ILE 146 6.128 -13.105 -0.771 706 3HD1 ILE 146 1HD1 ILE 146 4.908 -12.896 0.509 707 H PHE 147 H PHE 147 0.226 -11.208 -0.117 708 HA PHE 147 HA PHE 147 -1.455 -9.733 -2.172 709 1HB PHE 147 1HB PHE 147 -2.636 -12.214 -0.775 710 2HB PHE 147 2HB PHE 147 -3.526 -11.096 -1.772 711 HD1 PHE 147 HD1 PHE 147 -2.573 -10.725 -4.291 712 HD2 PHE 147 HD2 PHE 147 -1.781 -14.188 -1.856 713 HE1 PHE 147 HE1 PHE 147 -1.991 -12.031 -6.301 714 HE2 PHE 147 HE2 PHE 147 -1.244 -15.471 -3.887 715 HZ PHE 147 HZ PHE 147 -1.323 -14.392 -6.100 716 H LEU 148 H LEU 148 -3.200 -8.617 -1.400 717 HA LEU 148 HA LEU 148 -2.564 -7.297 1.206 718 1HB LEU 148 1HB LEU 148 -4.213 -6.585 -1.281 719 2HB LEU 148 2HB LEU 148 -4.550 -5.744 0.193 720 HG LEU 148 HG LEU 148 -2.251 -4.915 0.411 721 1HD1 LEU 148 3HD2 LEU 148 -0.912 -6.697 -0.716 722 2HD1 LEU 148 1HD2 LEU 148 -1.619 -6.262 -2.294 723 3HD1 LEU 148 2HD2 LEU 148 -0.585 -5.107 -1.402 724 1HD2 LEU 148 2HD1 LEU 148 -3.969 -3.580 -0.833 725 2HD2 LEU 148 3HD1 LEU 148 -2.349 -3.293 -1.493 726 3HD2 LEU 148 1HD1 LEU 148 -3.492 -4.346 -2.365 727 H ARG 149 H ARG 149 -3.538 -7.788 3.060 728 HA ARG 149 HA ARG 149 -6.533 -8.430 3.144 729 1HB ARG 149 1HB ARG 149 -4.317 -9.059 5.201 730 2HB ARG 149 2HB ARG 149 -6.031 -9.384 5.418 731 1HG ARG 149 1HG ARG 149 -6.000 -10.975 3.441 732 2HG ARG 149 2HG ARG 149 -4.265 -10.674 3.247 733 1HD ARG 149 1HD ARG 149 -3.908 -11.411 5.659 734 2HD ARG 149 2HD ARG 149 -5.630 -11.829 5.757 735 HE ARG 149 HE ARG 149 -4.517 -13.232 3.453 736 1HH1 ARG 149 2HH2 ARG 149 -4.177 -13.306 6.993 737 2HH1 ARG 149 1HH2 ARG 149 -3.637 -15.058 6.918 738 1HH2 ARG 149 1HH1 ARG 149 -3.891 -15.226 3.488 739 2HH2 ARG 149 2HH1 ARG 149 -3.488 -16.069 5.067 740 H ASP 150 H ASP 150 -7.727 -7.470 4.791 741 HA ASP 150 HA ASP 150 -6.969 -4.593 5.285 742 1HB ASP 150 1HB ASP 150 -9.616 -6.108 5.753 743 2HB ASP 150 2HB ASP 150 -9.366 -4.462 6.289 744 H ILE 151 H ILE 151 -6.947 -3.554 7.188 745 HA ILE 151 HA ILE 151 -5.636 -5.017 9.391 746 HB ILE 151 HB ILE 151 -5.334 -2.755 10.454 747 1HG1 ILE 151 1HG1 ILE 151 -5.620 -0.700 8.947 748 2HG1 ILE 151 2HG1 ILE 151 -6.802 -1.592 8.015 749 1HG2 ILE 151 3HG2 ILE 151 -4.365 -3.101 7.579 750 2HG2 ILE 151 1HG2 ILE 151 -3.697 -1.933 8.745 751 3HG2 ILE 151 2HG2 ILE 151 -3.586 -3.667 9.070 752 1HD1 ILE 151 1HD1 ILE 151 -7.011 -1.017 11.061 753 2HD1 ILE 151 2HD1 ILE 151 -7.764 -0.039 9.782 754 3HD1 ILE 151 3HD1 ILE 151 -8.301 -1.710 10.040 755 H GLU 152 H GLU 152 -6.034 -4.615 11.648 756 HA GLU 152 HA GLU 152 -8.856 -4.138 12.510 757 1HB GLU 152 1HB GLU 152 -7.567 -6.792 13.313 758 2HB GLU 152 2HB GLU 152 -8.931 -6.082 14.128 759 1HG GLU 152 1HG GLU 152 -8.994 -6.888 11.149 760 2HG GLU 152 2HG GLU 152 -9.501 -7.917 12.470 761 HXT GLU 152 HO OH 153 -8.047 -2.407 13.204 No H/Q in entry = 761 Start of MODEL 21 1 1H GLY 58 1H GLY 58 -12.730 -2.548 2.709 2 2H GLY 58 2H GLY 58 -11.857 -1.207 2.374 3 1HA GLY 58 1HA GLY 58 -13.698 -0.682 3.831 4 2HA GLY 58 2HA GLY 58 -13.109 -1.876 4.984 5 H SER 59 H SER 59 -11.502 -1.273 6.377 6 HA SER 59 HA SER 59 -10.797 1.646 6.557 7 1HB SER 59 1HB SER 59 -9.958 1.161 8.803 8 2HB SER 59 2HB SER 59 -11.597 0.559 8.583 9 HG SER 59 HG SER 59 -10.255 -0.924 9.627 10 H TRP 60 H TRP 60 -9.192 2.220 5.242 11 HA TRP 60 HA TRP 60 -6.425 1.148 5.763 12 1HB TRP 60 1HB TRP 60 -5.830 0.900 3.360 13 2HB TRP 60 2HB TRP 60 -6.900 -0.298 4.010 14 HD1 TRP 60 HD1 TRP 60 -9.370 -0.492 3.073 15 HE1 TRP 60 HE1 TRP 60 -10.540 0.185 0.780 16 HE3 TRP 60 HE3 TRP 60 -5.990 3.066 1.774 17 HZ2 TRP 60 HZ2 TRP 60 -9.866 2.109 -1.260 18 HZ3 TRP 60 HZ3 TRP 60 -6.372 4.400 -0.273 19 HH2 TRP 60 HH2 TRP 60 -8.280 3.941 -1.743 20 H PHE 61 H PHE 61 -8.269 3.827 4.284 21 HA PHE 61 HA PHE 61 -5.791 5.249 3.538 22 1HB PHE 61 1HB PHE 61 -7.971 5.403 2.260 23 2HB PHE 61 2HB PHE 61 -8.678 6.321 3.565 24 HD1 PHE 61 HD1 PHE 61 -5.785 6.320 1.116 25 HD2 PHE 61 HD2 PHE 61 -8.290 8.742 3.646 26 HE1 PHE 61 HE1 PHE 61 -4.748 8.349 0.220 27 HE2 PHE 61 HE2 PHE 61 -7.238 10.767 2.730 28 HZ PHE 61 HZ PHE 61 -5.464 10.581 1.020 29 H PHE 62 H PHE 62 -4.730 6.802 4.525 30 HA PHE 62 HA PHE 62 -5.785 8.119 7.089 31 1HB PHE 62 1HB PHE 62 -2.954 7.069 6.658 32 2HB PHE 62 2HB PHE 62 -3.340 8.285 7.840 33 HD1 PHE 62 HD2 PHE 62 -4.096 4.734 6.889 34 HD2 PHE 62 HD1 PHE 62 -4.344 7.703 9.985 35 HE1 PHE 62 HE2 PHE 62 -4.757 2.998 8.509 36 HE2 PHE 62 HE1 PHE 62 -4.980 5.957 11.598 37 HZ PHE 62 HZ PHE 62 -5.191 3.604 10.865 38 H GLY 63 H GLY 63 -2.907 8.697 4.989 39 1HA GLY 63 1HA GLY 63 -2.654 10.581 3.435 40 2HA GLY 63 2HA GLY 63 -4.096 11.345 4.060 41 H LYS 64 H LYS 64 -0.731 11.183 4.256 42 HA LYS 64 HA LYS 64 0.944 12.293 5.404 43 1HB LYS 64 1HB LYS 64 -1.217 14.340 6.090 44 2HB LYS 64 2HB LYS 64 0.448 14.530 6.570 45 1HG LYS 64 1HG LYS 64 -0.477 14.353 3.641 46 2HG LYS 64 2HG LYS 64 -0.175 15.815 4.563 47 1HD LYS 64 1HD LYS 64 2.279 14.766 4.958 48 2HD LYS 64 2HD LYS 64 1.858 13.745 3.583 49 1HE LYS 64 1HE LYS 64 1.349 15.938 2.254 50 2HE LYS 64 2HE LYS 64 1.937 16.844 3.643 51 1HZ LYS 64 3HZ LYS 64 4.092 15.726 3.387 52 2HZ LYS 64 1HZ LYS 64 3.538 14.875 2.084 53 3HZ LYS 64 2HZ LYS 64 3.670 16.520 2.001 54 H ILE 65 H ILE 65 0.794 10.236 6.649 55 HA ILE 65 HA ILE 65 1.049 11.071 9.559 56 HB ILE 65 HB ILE 65 0.470 8.923 10.417 57 1HG1 ILE 65 1HG1 ILE 65 -0.611 7.907 7.738 58 2HG1 ILE 65 2HG1 ILE 65 1.026 7.546 8.255 59 1HG2 ILE 65 1HG2 ILE 65 -1.300 10.662 10.241 60 2HG2 ILE 65 2HG2 ILE 65 -1.837 9.983 8.688 61 3HG2 ILE 65 3HG2 ILE 65 -1.990 9.026 10.182 62 1HD1 ILE 65 3HD1 ILE 65 0.212 6.459 10.363 63 2HD1 ILE 65 1HD1 ILE 65 -1.474 6.746 9.859 64 3HD1 ILE 65 2HD1 ILE 65 -0.424 5.680 8.899 65 HA PRO 66 HA PRO 66 5.366 9.864 9.252 66 1HB PRO 66 1HB PRO 66 4.984 8.391 11.924 67 2HB PRO 66 2HB PRO 66 6.275 9.509 11.444 68 1HG PRO 66 1HG PRO 66 4.249 10.386 13.007 69 2HG PRO 66 2HG PRO 66 4.819 11.419 11.670 70 1HD PRO 66 1HD PRO 66 2.324 9.638 11.738 71 2HD PRO 66 2HD PRO 66 2.522 11.294 11.091 72 H ARG 67 H ARG 67 6.833 8.214 8.909 73 HA ARG 67 HA ARG 67 5.872 5.566 7.979 74 1HB ARG 67 1HB ARG 67 7.904 6.953 7.107 75 2HB ARG 67 2HB ARG 67 8.805 6.366 8.489 76 1HG ARG 67 1HG ARG 67 8.369 3.971 7.724 77 2HG ARG 67 2HG ARG 67 7.426 4.598 6.369 78 1HD ARG 67 1HD ARG 67 9.472 5.786 5.473 79 2HD ARG 67 2HD ARG 67 10.427 5.162 6.834 80 HE ARG 67 HE ARG 67 9.157 2.884 5.519 81 1HH1 ARG 67 2HH2 ARG 67 11.704 5.274 4.847 82 2HH1 ARG 67 1HH2 ARG 67 12.562 4.072 3.758 83 1HH2 ARG 67 1HH1 ARG 67 10.219 1.600 4.259 84 2HH2 ARG 67 2HH1 ARG 67 11.777 2.134 3.449 85 H ALA 68 H ALA 68 7.363 6.711 10.933 86 HA ALA 68 HA ALA 68 7.801 4.065 12.251 87 1HB ALA 68 2HB ALA 68 9.099 6.048 13.004 88 2HB ALA 68 3HB ALA 68 7.605 6.867 13.529 89 3HB ALA 68 1HB ALA 68 8.147 5.379 14.342 90 H LYS 69 H LYS 69 5.109 6.447 12.295 91 HA LYS 69 HA LYS 69 3.359 4.881 14.104 92 1HB LYS 69 1HB LYS 69 3.125 7.360 13.657 93 2HB LYS 69 2HB LYS 69 2.600 7.015 12.013 94 1HG LYS 69 1HG LYS 69 0.585 5.787 12.920 95 2HG LYS 69 2HG LYS 69 1.137 6.073 14.572 96 1HD LYS 69 1HD LYS 69 0.925 8.550 14.249 97 2HD LYS 69 2HD LYS 69 0.497 8.316 12.553 98 1HE LYS 69 1HE LYS 69 -1.588 7.039 13.237 99 2HE LYS 69 2HE LYS 69 -1.177 7.290 14.942 100 1HZ LYS 69 3HZ LYS 69 -1.707 9.460 12.966 101 2HZ LYS 69 1HZ LYS 69 -2.741 8.954 14.151 102 3HZ LYS 69 2HZ LYS 69 -1.323 9.699 14.555 103 H ALA 70 H ALA 70 3.895 4.758 10.599 104 HA ALA 70 HA ALA 70 1.700 2.836 9.998 105 1HB ALA 70 2HB ALA 70 2.658 4.165 8.165 106 2HB ALA 70 3HB ALA 70 4.264 3.437 8.405 107 3HB ALA 70 1HB ALA 70 2.901 2.439 7.840 108 H GLU 71 H GLU 71 5.256 2.339 10.511 109 HA GLU 71 HA GLU 71 5.246 -0.558 10.729 110 1HB GLU 71 1HB GLU 71 7.020 1.619 12.002 111 2HB GLU 71 2HB GLU 71 7.337 -0.075 12.301 112 1HG GLU 71 1HG GLU 71 7.904 -0.601 10.077 113 2HG GLU 71 2HG GLU 71 7.128 0.814 9.381 114 H GLU 72 H GLU 72 4.489 1.808 13.325 115 HA GLU 72 HA GLU 72 4.186 -0.101 15.491 116 1HB GLU 72 1HB GLU 72 4.382 2.399 15.722 117 2HB GLU 72 2HB GLU 72 2.745 2.588 15.107 118 1HG GLU 72 1HG GLU 72 1.858 1.289 17.102 119 2HG GLU 72 2HG GLU 72 3.505 1.045 17.679 120 H MET 73 H MET 73 1.649 1.161 13.246 121 HA MET 73 HA MET 73 -0.475 -0.660 14.188 122 1HB MET 73 1HB MET 73 -0.197 1.017 11.632 123 2HB MET 73 2HB MET 73 -1.509 -0.123 11.824 124 1HG MET 73 1HG MET 73 -2.326 2.044 12.453 125 2HG MET 73 2HG MET 73 -2.328 1.016 13.885 126 1HE MET 73 2HE MET 73 -1.979 2.376 15.991 127 2HE MET 73 1HE MET 73 -0.505 1.358 15.964 128 3HE MET 73 3HE MET 73 -0.389 3.093 16.381 129 H LEU 74 H LEU 74 1.422 -0.900 11.115 130 HA LEU 74 HA LEU 74 0.260 -3.447 10.404 131 1HB LEU 74 1HB LEU 74 2.877 -2.180 9.393 132 2HB LEU 74 2HB LEU 74 2.179 -3.614 8.735 133 HG LEU 74 HG LEU 74 1.379 -2.323 7.169 134 1HD1 LEU 74 2HD1 LEU 74 -0.763 -3.084 8.261 135 2HD1 LEU 74 3HD1 LEU 74 -0.861 -1.538 9.129 136 3HD1 LEU 74 1HD1 LEU 74 -0.948 -1.568 7.353 137 1HD2 LEU 74 3HD2 LEU 74 2.566 -0.253 8.068 138 2HD2 LEU 74 1HD2 LEU 74 1.117 0.034 7.108 139 3HD2 LEU 74 2HD2 LEU 74 1.037 0.187 8.876 140 H SER 75 H SER 75 3.398 -2.986 12.087 141 HA SER 75 HA SER 75 4.296 -5.733 11.799 142 1HB SER 75 1HB SER 75 5.021 -3.760 14.042 143 2HB SER 75 2HB SER 75 5.833 -5.297 13.734 144 HG SER 75 HG SER 75 6.863 -3.574 12.727 145 H LYS 76 H LYS 76 2.234 -4.329 14.379 146 HA LYS 76 HA LYS 76 1.966 -6.895 15.856 147 1HB LYS 76 1HB LYS 76 0.302 -5.854 17.252 148 2HB LYS 76 2HB LYS 76 1.744 -4.874 17.128 149 1HG LYS 76 1HG LYS 76 0.570 -3.341 15.494 150 2HG LYS 76 2HG LYS 76 -0.895 -4.311 15.622 151 1HD LYS 76 1HD LYS 76 -1.052 -3.794 18.075 152 2HD LYS 76 2HD LYS 76 0.464 -2.886 18.003 153 1HE LYS 76 1HE LYS 76 -0.565 -1.234 16.397 154 2HE LYS 76 2HE LYS 76 -2.085 -2.141 16.406 155 1HZ LYS 76 2HZ LYS 76 -0.840 -0.843 18.784 156 2HZ LYS 76 3HZ LYS 76 -2.148 -0.283 17.945 157 3HZ LYS 76 1HZ LYS 76 -2.258 -1.691 18.802 158 H GLN 77 H GLN 77 0.057 -5.501 13.166 159 HA GLN 77 HA GLN 77 -2.206 -7.152 13.342 160 1HB GLN 77 1HB GLN 77 -0.934 -5.511 11.173 161 2HB GLN 77 2HB GLN 77 -1.726 -6.906 10.520 162 1HG GLN 77 1HG GLN 77 -3.355 -5.226 10.482 163 2HG GLN 77 2HG GLN 77 -3.852 -6.348 11.725 164 1HE2 GLN 77 2HE2 GLN 77 -2.983 -2.477 12.785 165 2HE2 GLN 77 1HE2 GLN 77 -2.649 -3.117 11.099 166 H ARG 78 H ARG 78 -2.666 -9.022 13.043 167 HA ARG 78 HA ARG 78 -0.842 -11.271 12.624 168 1HB ARG 78 1HB ARG 78 -2.741 -12.709 13.055 169 2HB ARG 78 2HB ARG 78 -2.762 -11.348 14.143 170 1HG ARG 78 1HG ARG 78 -4.535 -10.273 12.463 171 2HG ARG 78 2HG ARG 78 -4.617 -11.879 11.743 172 1HD ARG 78 1HD ARG 78 -5.194 -12.784 14.126 173 2HD ARG 78 2HD ARG 78 -5.241 -11.105 14.660 174 HE ARG 78 HE ARG 78 -7.317 -10.724 13.524 175 1HH1 ARG 78 2HH2 ARG 78 -6.137 -13.991 12.756 176 2HH1 ARG 78 1HH2 ARG 78 -7.807 -14.466 12.162 177 1HH2 ARG 78 1HH1 ARG 78 -9.171 -11.377 12.825 178 2HH2 ARG 78 2HH1 ARG 78 -9.405 -13.086 12.200 179 H HIS 79 H HIS 79 -2.799 -9.687 10.199 180 HA HIS 79 HA HIS 79 -3.006 -12.008 8.413 181 1HB HIS 79 1HB HIS 79 -3.595 -9.055 7.729 182 2HB HIS 79 2HB HIS 79 -4.147 -10.462 6.859 183 HD2 HIS 79 HD2 HIS 79 -5.924 -12.148 8.241 184 HE1 HIS 79 HE1 HIS 79 -6.926 -9.491 11.229 185 HE2 HIS 79 HE2 HIS 79 -7.663 -11.692 10.179 186 H ASP 80 H ASP 80 -1.827 -12.575 6.694 187 HA ASP 80 HA ASP 80 0.657 -11.084 5.868 188 1HB ASP 80 1HB ASP 80 1.157 -12.856 4.316 189 2HB ASP 80 2HB ASP 80 0.910 -13.455 5.934 190 H GLY 81 H GLY 81 0.364 -9.326 4.719 191 1HA GLY 81 1HA GLY 81 -0.494 -8.274 2.554 192 2HA GLY 81 2HA GLY 81 -2.059 -8.995 2.866 193 H ALA 82 H ALA 82 -0.893 -7.831 5.863 194 HA ALA 82 HA ALA 82 -3.171 -6.056 6.084 195 1HB ALA 82 3HB ALA 82 -2.246 -7.261 8.036 196 2HB ALA 82 1HB ALA 82 -0.768 -6.274 7.994 197 3HB ALA 82 2HB ALA 82 -2.336 -5.523 8.353 198 H PHE 83 H PHE 83 -3.351 -4.155 5.097 199 HA PHE 83 HA PHE 83 -0.898 -2.354 4.815 200 1HB PHE 83 1HB PHE 83 -1.352 -1.958 2.580 201 2HB PHE 83 2HB PHE 83 -1.534 -3.645 2.771 202 HD1 PHE 83 HD1 PHE 83 -3.935 -4.672 2.877 203 HD2 PHE 83 HD2 PHE 83 -3.308 -0.554 1.826 204 HE1 PHE 83 HE1 PHE 83 -6.291 -4.472 2.239 205 HE2 PHE 83 HE2 PHE 83 -5.647 -0.394 1.111 206 HZ PHE 83 HZ PHE 83 -7.165 -2.332 1.367 207 H LEU 84 H LEU 84 -1.029 -0.236 4.489 208 HA LEU 84 HA LEU 84 -3.610 1.232 4.634 209 1HB LEU 84 1HB LEU 84 -3.242 2.694 6.479 210 2HB LEU 84 2HB LEU 84 -3.194 1.050 7.011 211 HG LEU 84 HG LEU 84 -0.512 1.395 6.833 212 1HD1 LEU 84 2HD1 LEU 84 -0.527 3.749 5.928 213 2HD1 LEU 84 3HD1 LEU 84 -1.464 4.293 7.329 214 3HD1 LEU 84 1HD1 LEU 84 0.202 3.697 7.532 215 1HD2 LEU 84 3HD2 LEU 84 -1.738 0.800 8.928 216 2HD2 LEU 84 1HD2 LEU 84 -0.480 2.004 9.260 217 3HD2 LEU 84 2HD2 LEU 84 -2.185 2.504 9.180 218 H ILE 85 H ILE 85 -3.556 2.885 3.216 219 HA ILE 85 HA ILE 85 -0.918 3.707 1.998 220 HB ILE 85 HB ILE 85 -3.803 4.339 1.206 221 1HG1 ILE 85 1HG1 ILE 85 -1.554 2.782 -0.245 222 2HG1 ILE 85 2HG1 ILE 85 -2.745 2.002 0.781 223 1HG2 ILE 85 3HG2 ILE 85 -1.209 5.355 -0.148 224 2HG2 ILE 85 1HG2 ILE 85 -2.840 5.468 -0.853 225 3HG2 ILE 85 2HG2 ILE 85 -2.464 6.358 0.618 226 1HD1 ILE 85 2HD1 ILE 85 -3.479 3.518 -1.782 227 2HD1 ILE 85 3HD1 ILE 85 -3.346 1.756 -1.573 228 3HD1 ILE 85 1HD1 ILE 85 -4.597 2.654 -0.691 229 H ARG 86 H ARG 86 0.174 5.109 3.011 230 HA ARG 86 HA ARG 86 -1.002 7.562 4.422 231 1HB ARG 86 1HB ARG 86 1.262 7.883 5.445 232 2HB ARG 86 2HB ARG 86 0.388 6.479 6.008 233 1HG ARG 86 1HG ARG 86 1.800 4.922 4.864 234 2HG ARG 86 2HG ARG 86 2.543 6.127 3.840 235 1HD ARG 86 1HD ARG 86 2.884 6.212 6.907 236 2HD ARG 86 2HD ARG 86 3.871 5.154 5.925 237 HE ARG 86 HE ARG 86 4.002 8.178 5.992 238 1HH1 ARG 86 2HH2 ARG 86 5.191 5.236 4.384 239 2HH1 ARG 86 1HH2 ARG 86 6.599 6.177 3.680 240 1HH2 ARG 86 1HH1 ARG 86 5.641 9.143 5.136 241 2HH2 ARG 86 2HH1 ARG 86 6.834 8.236 4.078 242 H GLU 87 H GLU 87 -0.497 9.561 3.606 243 HA GLU 87 HA GLU 87 0.654 9.696 0.862 244 1HB GLU 87 1HB GLU 87 -1.335 11.083 1.713 245 2HB GLU 87 2HB GLU 87 -0.201 12.142 2.509 246 1HG GLU 87 1HG GLU 87 0.112 11.524 -0.506 247 2HG GLU 87 2HG GLU 87 -1.165 12.584 0.035 248 H SER 88 H SER 88 2.674 10.135 0.356 249 HA SER 88 HA SER 88 4.763 9.853 2.275 250 1HB SER 88 1HB SER 88 4.876 9.184 -0.150 251 2HB SER 88 2HB SER 88 5.043 10.876 -0.623 252 HG SER 88 HG SER 88 6.920 10.960 0.690 253 H GLU 89 H GLU 89 5.795 11.188 3.533 254 HA GLU 89 HA GLU 89 5.390 14.095 3.684 255 1HB GLU 89 1HB GLU 89 7.408 12.253 5.083 256 2HB GLU 89 2HB GLU 89 7.411 13.986 5.302 257 1HG GLU 89 1HG GLU 89 6.214 13.188 7.159 258 2HG GLU 89 2HG GLU 89 5.021 13.951 6.128 259 H SER 90 H SER 90 8.251 12.231 2.547 260 HA SER 90 HA SER 90 9.811 14.525 1.651 261 1HB SER 90 1HB SER 90 11.184 12.924 0.385 262 2HB SER 90 2HB SER 90 10.864 12.344 2.014 263 HG SER 90 HG SER 90 10.590 10.748 0.433 264 H ALA 91 H ALA 91 7.297 12.685 -0.151 265 HA ALA 91 HA ALA 91 7.630 14.661 -2.488 266 1HB ALA 91 2HB ALA 91 8.290 12.398 -3.173 267 2HB ALA 91 3HB ALA 91 6.725 11.733 -2.641 268 3HB ALA 91 1HB ALA 91 6.798 12.901 -3.987 269 HA PRO 92 HA PRO 92 3.425 15.409 -0.531 270 1HB PRO 92 1HB PRO 92 3.129 18.109 -1.172 271 2HB PRO 92 2HB PRO 92 4.090 17.500 0.184 272 1HG PRO 92 1HG PRO 92 5.091 18.317 -2.584 273 2HG PRO 92 2HG PRO 92 5.760 18.776 -1.000 274 1HD PRO 92 1HD PRO 92 6.828 16.726 -2.511 275 2HD PRO 92 2HD PRO 92 6.829 16.638 -0.722 276 H GLY 93 H GLY 93 1.520 15.053 -1.397 277 1HA GLY 93 1HA GLY 93 -0.234 14.978 -3.142 278 2HA GLY 93 2HA GLY 93 0.915 15.449 -4.375 279 H ASP 94 H ASP 94 2.942 13.470 -3.507 280 HA ASP 94 HA ASP 94 1.913 11.014 -4.955 281 1HB ASP 94 1HB ASP 94 4.699 11.853 -3.901 282 2HB ASP 94 2HB ASP 94 4.410 10.241 -4.489 283 H PHE 95 H PHE 95 1.841 8.993 -4.043 284 HA PHE 95 HA PHE 95 1.427 8.958 -1.011 285 1HB PHE 95 1HB PHE 95 0.026 7.434 -3.301 286 2HB PHE 95 2HB PHE 95 -0.158 6.989 -1.635 287 HD1 PHE 95 HD2 PHE 95 -0.917 9.650 -4.108 288 HD2 PHE 95 HD1 PHE 95 -1.419 8.421 -0.020 289 HE1 PHE 95 HE2 PHE 95 -2.664 11.360 -3.802 290 HE2 PHE 95 HE1 PHE 95 -3.141 10.148 0.277 291 HZ PHE 95 HZ PHE 95 -3.778 11.613 -1.608 292 H SER 96 H SER 96 1.435 6.708 -0.110 293 HA SER 96 HA SER 96 3.659 4.920 -1.113 294 1HB SER 96 1HB SER 96 3.825 6.259 1.671 295 2HB SER 96 2HB SER 96 4.767 4.845 1.185 296 HG SER 96 HG SER 96 5.869 6.778 0.859 297 H LEU 97 H LEU 97 2.685 3.053 -1.133 298 HA LEU 97 HA LEU 97 0.510 2.178 0.771 299 1HB LEU 97 1HB LEU 97 0.406 1.509 -1.604 300 2HB LEU 97 2HB LEU 97 1.982 0.740 -1.508 301 HG LEU 97 HG LEU 97 0.997 -0.852 0.253 302 1HD1 LEU 97 3HD2 LEU 97 -1.055 0.353 0.925 303 2HD1 LEU 97 1HD2 LEU 97 -1.717 0.209 -0.729 304 3HD1 LEU 97 2HD2 LEU 97 -1.463 -1.240 0.266 305 1HD2 LEU 97 2HD1 LEU 97 1.418 -1.612 -2.066 306 2HD2 LEU 97 3HD1 LEU 97 -0.069 -2.353 -1.461 307 3HD2 LEU 97 1HD1 LEU 97 -0.164 -0.989 -2.605 308 H SER 98 H SER 98 1.073 1.593 2.686 309 HA SER 98 HA SER 98 3.782 0.317 3.413 310 1HB SER 98 1HB SER 98 1.658 1.445 5.272 311 2HB SER 98 2HB SER 98 3.268 0.905 5.726 312 HG SER 98 HG SER 98 2.647 3.024 3.947 313 H VAL 99 H VAL 99 3.254 -1.704 2.446 314 HA VAL 99 HA VAL 99 0.815 -3.227 3.501 315 HB VAL 99 HB VAL 99 0.579 -2.931 1.189 316 1HG1 VAL 99 2HG1 VAL 99 2.915 -2.614 0.372 317 2HG1 VAL 99 3HG1 VAL 99 3.263 -4.342 0.624 318 3HG1 VAL 99 1HG1 VAL 99 2.059 -3.836 -0.586 319 1HG2 VAL 99 3HG2 VAL 99 -0.158 -5.145 2.189 320 2HG2 VAL 99 1HG2 VAL 99 0.197 -5.237 0.456 321 3HG2 VAL 99 2HG2 VAL 99 1.351 -5.874 1.649 322 H LYS 100 H LYS 100 1.235 -4.643 4.878 323 HA LYS 100 HA LYS 100 3.961 -5.815 5.422 324 1HB LYS 100 1HB LYS 100 2.549 -5.005 7.229 325 2HB LYS 100 2HB LYS 100 1.241 -6.096 6.848 326 1HG LYS 100 1HG LYS 100 3.985 -7.231 7.645 327 2HG LYS 100 2HG LYS 100 2.979 -6.463 8.859 328 1HD LYS 100 1HD LYS 100 1.049 -8.017 8.245 329 2HD LYS 100 2HD LYS 100 2.128 -8.874 7.140 330 1HE LYS 100 1HE LYS 100 3.687 -9.335 9.141 331 2HE LYS 100 2HE LYS 100 2.500 -8.572 10.202 332 1HZ LYS 100 3HZ LYS 100 0.871 -10.252 9.484 333 2HZ LYS 100 1HZ LYS 100 1.990 -10.971 8.504 334 3HZ LYS 100 2HZ LYS 100 2.207 -10.969 10.142 335 H PHE 101 H PHE 101 4.496 -8.025 5.343 336 HA PHE 101 HA PHE 101 2.509 -10.033 4.560 337 1HB PHE 101 1HB PHE 101 3.262 -8.947 2.253 338 2HB PHE 101 2HB PHE 101 4.738 -9.835 2.439 339 HD1 PHE 101 HD1 PHE 101 4.658 -12.402 2.355 340 HD2 PHE 101 HD2 PHE 101 1.100 -10.049 1.792 341 HE1 PHE 101 HE1 PHE 101 3.489 -14.365 1.434 342 HE2 PHE 101 HE2 PHE 101 -0.054 -12.021 0.888 343 HZ PHE 101 HZ PHE 101 1.136 -14.179 0.699 344 H GLY 102 H GLY 102 3.039 -11.370 6.113 345 1HA GLY 102 1HA GLY 102 4.194 -13.146 7.203 346 2HA GLY 102 2HA GLY 102 5.407 -13.066 5.948 347 H ASN 103 H ASN 103 4.384 -11.550 8.975 348 HA ASN 103 HA ASN 103 5.498 -10.792 10.806 349 1HB ASN 103 1HB ASN 103 8.158 -11.893 9.770 350 2HB ASN 103 2HB ASN 103 7.891 -11.265 11.372 351 1HD2 ASN 103 1HD2 ASN 103 6.266 -14.270 12.558 352 2HD2 ASN 103 2HD2 ASN 103 6.532 -12.478 12.846 353 H ASP 104 H ASP 104 6.898 -9.662 7.914 354 HA ASP 104 HA ASP 104 7.914 -7.120 9.348 355 1HB ASP 104 1HB ASP 104 9.165 -8.493 6.883 356 2HB ASP 104 2HB ASP 104 9.664 -6.942 7.530 357 H VAL 105 H VAL 105 7.603 -5.194 8.444 358 HA VAL 105 HA VAL 105 5.440 -4.955 6.429 359 HB VAL 105 HB VAL 105 5.434 -3.618 8.564 360 1HG1 VAL 105 1HG2 VAL 105 7.482 -1.817 7.189 361 2HG1 VAL 105 2HG2 VAL 105 6.493 -1.427 8.616 362 3HG1 VAL 105 3HG2 VAL 105 7.691 -2.742 8.697 363 1HG2 VAL 105 2HG1 VAL 105 3.832 -3.196 6.727 364 2HG2 VAL 105 3HG1 VAL 105 4.304 -1.675 7.504 365 3HG2 VAL 105 1HG1 VAL 105 4.976 -2.110 5.917 366 H GLN 106 H GLN 106 5.524 -4.064 4.421 367 HA GLN 106 HA GLN 106 8.292 -3.522 3.191 368 1HB GLN 106 1HB GLN 106 6.046 -5.279 2.035 369 2HB GLN 106 2HB GLN 106 7.351 -4.609 1.068 370 1HG GLN 106 1HG GLN 106 9.087 -5.736 2.364 371 2HG GLN 106 2HG GLN 106 7.921 -6.321 3.539 372 1HE2 GLN 106 2HE2 GLN 106 8.233 -8.338 -0.052 373 2HE2 GLN 106 1HE2 GLN 106 9.017 -6.698 0.197 374 H HIS 107 H HIS 107 8.309 -1.519 2.744 375 HA HIS 107 HA HIS 107 5.824 0.085 2.101 376 1HB HIS 107 1HB HIS 107 8.674 0.737 3.082 377 2HB HIS 107 2HB HIS 107 7.691 1.971 2.387 378 HD2 HIS 107 HD2 HIS 107 6.905 -0.789 5.128 379 HE1 HIS 107 HE1 HIS 107 5.369 2.792 6.492 380 HE2 HIS 107 HE2 HIS 107 5.698 0.359 7.182 381 H PHE 108 H PHE 108 5.401 0.769 0.142 382 HA PHE 108 HA PHE 108 7.548 0.837 -2.059 383 1HB PHE 108 1HB PHE 108 4.677 -0.199 -2.440 384 2HB PHE 108 2HB PHE 108 5.897 -0.052 -3.679 385 HD1 PHE 108 HD2 PHE 108 8.141 -1.466 -3.358 386 HD2 PHE 108 HD1 PHE 108 4.485 -2.266 -1.243 387 HE1 PHE 108 HE2 PHE 108 8.934 -3.737 -2.826 388 HE2 PHE 108 HE1 PHE 108 5.287 -4.539 -0.731 389 HZ PHE 108 HZ PHE 108 7.522 -5.260 -1.487 390 H LYS 109 H LYS 109 7.532 2.589 -3.258 391 HA LYS 109 HA LYS 109 5.747 4.858 -2.581 392 1HB LYS 109 1HB LYS 109 7.095 6.258 -4.005 393 2HB LYS 109 2HB LYS 109 8.059 5.331 -2.879 394 1HG LYS 109 1HG LYS 109 8.677 3.728 -4.800 395 2HG LYS 109 2HG LYS 109 7.787 4.778 -5.903 396 1HD LYS 109 1HD LYS 109 9.301 6.719 -5.239 397 2HD LYS 109 2HD LYS 109 10.202 5.632 -4.177 398 1HE LYS 109 1HE LYS 109 10.829 4.189 -6.174 399 2HE LYS 109 2HE LYS 109 9.915 5.265 -7.242 400 1HZ LYS 109 2HZ LYS 109 12.260 6.083 -5.594 401 2HZ LYS 109 3HZ LYS 109 12.264 5.823 -7.226 402 3HZ LYS 109 1HZ LYS 109 11.405 7.084 -6.592 403 H VAL 110 H VAL 110 3.982 5.445 -3.494 404 HA VAL 110 HA VAL 110 2.932 4.150 -6.046 405 HB VAL 110 HB VAL 110 1.498 5.809 -3.898 406 1HG1 VAL 110 3HG1 VAL 110 0.283 4.433 -6.379 407 2HG1 VAL 110 1HG1 VAL 110 -0.648 5.156 -5.037 408 3HG1 VAL 110 2HG1 VAL 110 0.350 6.184 -6.074 409 1HG2 VAL 110 2HG2 VAL 110 2.083 3.478 -3.119 410 2HG2 VAL 110 3HG2 VAL 110 0.333 3.699 -3.284 411 3HG2 VAL 110 1HG2 VAL 110 1.240 2.808 -4.532 412 H LEU 111 H LEU 111 3.718 5.195 -7.732 413 HA LEU 111 HA LEU 111 4.260 8.145 -7.733 414 1HB LEU 111 1HB LEU 111 4.738 6.000 -9.902 415 2HB LEU 111 2HB LEU 111 5.378 7.630 -9.951 416 HG LEU 111 HG LEU 111 6.097 5.525 -7.827 417 1HD1 LEU 111 1HD2 LEU 111 6.904 4.850 -10.090 418 2HD1 LEU 111 2HD2 LEU 111 7.717 6.420 -10.303 419 3HD1 LEU 111 3HD2 LEU 111 8.270 5.284 -9.046 420 1HD2 LEU 111 1HD1 LEU 111 7.375 8.298 -8.377 421 2HD2 LEU 111 2HD1 LEU 111 6.456 7.829 -6.924 422 3HD2 LEU 111 3HD1 LEU 111 8.025 7.078 -7.257 423 H ARG 112 H ARG 112 3.494 9.606 -9.245 424 HA ARG 112 HA ARG 112 0.768 8.932 -10.482 425 1HB ARG 112 1HB ARG 112 1.921 11.686 -9.710 426 2HB ARG 112 2HB ARG 112 0.338 11.404 -10.417 427 1HG ARG 112 1HG ARG 112 -0.359 10.067 -8.414 428 2HG ARG 112 2HG ARG 112 1.203 10.328 -7.653 429 1HD ARG 112 1HD ARG 112 -0.837 12.515 -8.395 430 2HD ARG 112 2HD ARG 112 -0.554 11.871 -6.777 431 HE ARG 112 HE ARG 112 2.014 12.801 -7.504 432 1HH1 ARG 112 2HH2 ARG 112 -1.175 14.366 -7.381 433 2HH1 ARG 112 1HH2 ARG 112 -0.378 15.996 -7.108 434 1HH2 ARG 112 1HH1 ARG 112 2.812 14.696 -7.193 435 2HH2 ARG 112 2HH1 ARG 112 1.732 16.168 -7.010 436 H ASP 113 H ASP 113 0.456 9.174 -12.608 437 HA ASP 113 HA ASP 113 2.582 10.542 -14.349 438 1HB ASP 113 1HB ASP 113 1.931 9.291 -16.280 439 2HB ASP 113 2HB ASP 113 2.536 8.267 -15.010 440 H GLY 114 H GLY 114 1.999 12.530 -14.681 441 1HA GLY 114 1HA GLY 114 0.722 14.307 -15.719 442 2HA GLY 114 2HA GLY 114 -0.675 13.265 -15.880 443 H ALA 115 H ALA 115 -2.285 13.641 -14.463 444 HA ALA 115 HA ALA 115 -1.956 15.670 -12.245 445 1HB ALA 115 2HB ALA 115 -3.828 16.001 -13.808 446 2HB ALA 115 3HB ALA 115 -4.529 14.422 -13.374 447 3HB ALA 115 1HB ALA 115 -4.430 15.722 -12.162 448 H GLY 116 H GLY 116 -3.772 12.547 -12.308 449 1HA GLY 116 1HA GLY 116 -2.183 11.503 -9.977 450 2HA GLY 116 2HA GLY 116 -3.849 11.887 -9.555 451 H LYS 117 H LYS 117 -1.954 10.180 -12.042 452 HA LYS 117 HA LYS 117 -4.000 7.878 -12.084 453 1HB LYS 117 1HB LYS 117 -1.928 8.737 -14.170 454 2HB LYS 117 2HB LYS 117 -2.542 7.108 -14.096 455 1HG LYS 117 1HG LYS 117 -3.777 8.223 -15.760 456 2HG LYS 117 2HG LYS 117 -4.880 7.854 -14.443 457 1HD LYS 117 1HD LYS 117 -4.869 10.197 -13.675 458 2HD LYS 117 2HD LYS 117 -3.582 10.644 -14.785 459 1HE LYS 117 1HE LYS 117 -6.393 9.665 -15.662 460 2HE LYS 117 2HE LYS 117 -5.946 11.357 -15.463 461 1HZ LYS 117 3HZ LYS 117 -4.254 11.081 -17.194 462 2HZ LYS 117 1HZ LYS 117 -4.665 9.494 -17.399 463 3HZ LYS 117 2HZ LYS 117 -5.753 10.683 -17.764 464 H TYR 118 H TYR 118 -3.433 6.840 -10.343 465 HA TYR 118 HA TYR 118 -0.718 6.747 -9.238 466 1HB TYR 118 1HB TYR 118 -3.207 5.212 -8.256 467 2HB TYR 118 2HB TYR 118 -1.746 5.474 -7.358 468 HD1 TYR 118 HD2 TYR 118 -1.043 8.032 -6.894 469 HD2 TYR 118 HD1 TYR 118 -4.994 6.811 -8.085 470 HE1 TYR 118 HE2 TYR 118 -1.960 10.167 -6.098 471 HE2 TYR 118 HE1 TYR 118 -5.896 8.937 -7.255 472 HH TYR 118 HH TYR 118 -5.435 10.897 -6.315 473 H PHE 119 H PHE 119 0.772 5.454 -10.028 474 HA PHE 119 HA PHE 119 0.164 2.540 -10.748 475 1HB PHE 119 1HB PHE 119 1.696 2.477 -12.501 476 2HB PHE 119 2HB PHE 119 0.661 3.829 -12.806 477 HD1 PHE 119 HD1 PHE 119 1.570 6.238 -12.451 478 HD2 PHE 119 HD2 PHE 119 4.118 2.776 -12.342 479 HE1 PHE 119 HE1 PHE 119 3.537 7.662 -12.856 480 HE2 PHE 119 HE2 PHE 119 6.074 4.219 -12.744 481 HZ PHE 119 HZ PHE 119 5.787 6.659 -13.009 482 H LEU 120 H LEU 120 1.055 1.249 -9.379 483 HA LEU 120 HA LEU 120 3.623 1.965 -7.852 484 1HB LEU 120 1HB LEU 120 1.524 1.413 -6.539 485 2HB LEU 120 2HB LEU 120 1.556 -0.214 -7.183 486 HG LEU 120 HG LEU 120 3.700 1.093 -5.383 487 1HD1 LEU 120 3HD2 LEU 120 1.537 0.651 -4.205 488 2HD1 LEU 120 1HD2 LEU 120 1.536 -1.029 -4.764 489 3HD1 LEU 120 2HD2 LEU 120 2.781 -0.462 -3.627 490 1HD2 LEU 120 1HD1 LEU 120 3.590 -1.796 -6.486 491 2HD2 LEU 120 2HD1 LEU 120 4.919 -0.619 -6.637 492 3HD2 LEU 120 3HD1 LEU 120 4.558 -1.334 -5.068 493 H TRP 121 H TRP 121 2.036 -0.898 -9.337 494 HA TRP 121 HA TRP 121 4.647 -2.335 -9.549 495 1HB TRP 121 1HB TRP 121 2.587 -3.384 -8.674 496 2HB TRP 121 2HB TRP 121 1.755 -3.136 -10.188 497 HD1 TRP 121 HD1 TRP 121 5.150 -4.980 -9.175 498 HE1 TRP 121 HE1 TRP 121 5.040 -7.508 -9.918 499 HE3 TRP 121 HE3 TRP 121 0.647 -4.676 -11.564 500 HZ2 TRP 121 HZ2 TRP 121 3.039 -9.058 -11.287 501 HZ3 TRP 121 HZ3 TRP 121 -0.286 -6.706 -12.602 502 HH2 TRP 121 HH2 TRP 121 0.879 -8.864 -12.450 503 H VAL 122 H VAL 122 2.091 -1.787 -12.056 504 HA VAL 122 HA VAL 122 4.165 -0.868 -13.998 505 HB VAL 122 HB VAL 122 4.379 -3.276 -14.235 506 1HG1 VAL 122 2HG1 VAL 122 2.049 -4.098 -13.785 507 2HG1 VAL 122 3HG1 VAL 122 1.560 -3.551 -15.406 508 3HG1 VAL 122 1HG1 VAL 122 2.799 -4.809 -15.224 509 1HG2 VAL 122 3HG2 VAL 122 4.903 -1.791 -16.165 510 2HG2 VAL 122 1HG2 VAL 122 4.362 -3.393 -16.703 511 3HG2 VAL 122 2HG2 VAL 122 3.251 -2.003 -16.795 512 H VAL 123 H VAL 123 0.851 -2.060 -14.321 513 HA VAL 123 HA VAL 123 0.120 0.236 -16.004 514 HB VAL 123 HB VAL 123 -0.690 -2.061 -16.392 515 1HG1 VAL 123 3HG2 VAL 123 -1.318 -2.800 -14.058 516 2HG1 VAL 123 1HG2 VAL 123 -2.701 -1.682 -14.094 517 3HG1 VAL 123 2HG2 VAL 123 -2.630 -3.051 -15.226 518 1HG2 VAL 123 2HG1 VAL 123 -1.817 -0.133 -17.495 519 2HG2 VAL 123 3HG1 VAL 123 -2.925 -1.493 -17.226 520 3HG2 VAL 123 1HG1 VAL 123 -3.011 -0.058 -16.177 521 H LYS 124 H LYS 124 -1.258 1.905 -15.685 522 HA LYS 124 HA LYS 124 -1.361 2.961 -12.901 523 1HB LYS 124 1HB LYS 124 -1.608 5.086 -13.754 524 2HB LYS 124 2HB LYS 124 -0.491 4.315 -14.835 525 1HG LYS 124 1HG LYS 124 -3.456 4.966 -15.401 526 2HG LYS 124 2HG LYS 124 -2.052 5.847 -15.975 527 1HD LYS 124 1HD LYS 124 -1.331 3.781 -17.316 528 2HD LYS 124 2HD LYS 124 -2.805 2.981 -16.785 529 1HE LYS 124 1HE LYS 124 -3.270 3.806 -18.986 530 2HE LYS 124 2HE LYS 124 -4.205 4.812 -17.883 531 1HZ LYS 124 1HZ LYS 124 -1.593 5.568 -19.122 532 2HZ LYS 124 2HZ LYS 124 -3.079 6.130 -19.574 533 3HZ LYS 124 3HZ LYS 124 -2.461 6.528 -18.095 534 H PHE 125 H PHE 125 -3.080 4.007 -11.947 535 HA PHE 125 HA PHE 125 -5.903 2.986 -12.576 536 1HB PHE 125 1HB PHE 125 -4.530 2.678 -9.821 537 2HB PHE 125 2HB PHE 125 -6.212 2.375 -10.144 538 HD1 PHE 125 HD1 PHE 125 -6.890 0.433 -11.711 539 HD2 PHE 125 HD2 PHE 125 -2.835 0.996 -10.392 540 HE1 PHE 125 HE1 PHE 125 -6.327 -1.854 -12.422 541 HE2 PHE 125 HE2 PHE 125 -2.295 -1.297 -11.085 542 HZ PHE 125 HZ PHE 125 -4.028 -2.706 -12.150 543 H ASN 126 H ASN 126 -7.052 4.788 -12.693 544 HA ASN 126 HA ASN 126 -6.236 7.383 -11.921 545 1HB ASN 126 1HB ASN 126 -8.017 6.761 -13.615 546 2HB ASN 126 2HB ASN 126 -9.156 6.503 -12.310 547 1HD2 ASN 126 1HD2 ASN 126 -9.923 10.025 -12.275 548 2HD2 ASN 126 2HD2 ASN 126 -10.351 8.307 -11.793 549 H SER 127 H SER 127 -8.318 5.288 -9.894 550 HA SER 127 HA SER 127 -7.938 7.278 -7.592 551 1HB SER 127 1HB SER 127 -9.875 6.337 -6.482 552 2HB SER 127 2HB SER 127 -10.331 6.851 -8.101 553 HG SER 127 HG SER 127 -10.101 4.659 -8.759 554 H LEU 128 H LEU 128 -7.384 6.515 -5.603 555 HA LEU 128 HA LEU 128 -5.444 4.294 -5.377 556 1HB LEU 128 1HB LEU 128 -6.853 5.911 -3.184 557 2HB LEU 128 2HB LEU 128 -5.588 4.749 -2.856 558 HG LEU 128 HG LEU 128 -5.139 7.195 -4.663 559 1HD1 LEU 128 2HD1 LEU 128 -5.784 7.945 -2.374 560 2HD1 LEU 128 3HD1 LEU 128 -4.518 6.918 -1.659 561 3HD1 LEU 128 1HD1 LEU 128 -4.081 8.288 -2.710 562 1HD2 LEU 128 3HD2 LEU 128 -3.088 5.329 -3.288 563 2HD2 LEU 128 1HD2 LEU 128 -3.436 5.389 -5.032 564 3HD2 LEU 128 2HD2 LEU 128 -2.703 6.788 -4.231 565 H ASN 129 H ASN 129 -8.939 4.421 -4.773 566 HA ASN 129 HA ASN 129 -9.122 1.794 -3.427 567 1HB ASN 129 1HB ASN 129 -11.399 3.049 -5.012 568 2HB ASN 129 2HB ASN 129 -11.464 1.742 -3.834 569 1HD2 ASN 129 1HD2 ASN 129 -12.288 4.084 -1.303 570 2HD2 ASN 129 2HD2 ASN 129 -12.532 2.450 -2.099 571 H GLU 130 H GLU 130 -9.213 2.760 -6.881 572 HA GLU 130 HA GLU 130 -9.637 0.060 -8.006 573 1HB GLU 130 1HB GLU 130 -8.325 2.569 -9.208 574 2HB GLU 130 2HB GLU 130 -8.498 1.067 -10.099 575 1HG GLU 130 1HG GLU 130 -10.963 1.148 -9.973 576 2HG GLU 130 2HG GLU 130 -10.919 2.574 -8.945 577 H LEU 131 H LEU 131 -6.586 1.874 -7.293 578 HA LEU 131 HA LEU 131 -4.722 -0.259 -7.982 579 1HB LEU 131 1HB LEU 131 -4.073 2.122 -7.598 580 2HB LEU 131 2HB LEU 131 -4.507 1.993 -5.907 581 HG LEU 131 HG LEU 131 -2.637 0.310 -5.565 582 1HD1 LEU 131 2HD1 LEU 131 -2.368 -0.514 -7.956 583 2HD1 LEU 131 3HD1 LEU 131 -1.710 1.080 -8.412 584 3HD1 LEU 131 1HD1 LEU 131 -0.846 0.050 -7.251 585 1HD2 LEU 131 2HD2 LEU 131 -2.343 2.728 -5.019 586 2HD2 LEU 131 3HD2 LEU 131 -0.823 2.020 -5.597 587 3HD2 LEU 131 1HD2 LEU 131 -1.786 3.058 -6.678 588 H VAL 132 H VAL 132 -6.348 0.361 -4.853 589 HA VAL 132 HA VAL 132 -5.183 -1.883 -3.363 590 HB VAL 132 HB VAL 132 -7.675 -0.143 -2.956 591 1HG1 VAL 132 1HG2 VAL 132 -6.907 -2.490 -1.126 592 2HG1 VAL 132 2HG2 VAL 132 -7.988 -1.147 -0.653 593 3HG1 VAL 132 3HG2 VAL 132 -8.449 -2.233 -1.963 594 1HG2 VAL 132 2HG1 VAL 132 -5.435 0.864 -2.461 595 2HG2 VAL 132 3HG1 VAL 132 -6.389 0.679 -0.980 596 3HG2 VAL 132 1HG1 VAL 132 -5.065 -0.463 -1.338 597 H ASP 133 H ASP 133 -8.495 -1.697 -4.773 598 HA ASP 133 HA ASP 133 -9.070 -4.455 -4.300 599 1HB ASP 133 1HB ASP 133 -10.387 -2.586 -6.359 600 2HB ASP 133 2HB ASP 133 -10.993 -4.189 -5.981 601 H TYR 134 H TYR 134 -7.373 -3.154 -7.106 602 HA TYR 134 HA TYR 134 -7.388 -5.627 -8.732 603 1HB TYR 134 1HB TYR 134 -6.832 -3.421 -9.711 604 2HB TYR 134 2HB TYR 134 -5.463 -3.220 -8.649 605 HD1 TYR 134 HD2 TYR 134 -6.782 -5.283 -11.505 606 HD2 TYR 134 HD1 TYR 134 -3.303 -4.248 -9.193 607 HE1 TYR 134 HE2 TYR 134 -5.346 -6.407 -13.146 608 HE2 TYR 134 HE1 TYR 134 -1.877 -5.367 -10.837 609 HH TYR 134 HH TYR 134 -1.813 -6.509 -12.769 610 H HIS 135 H HIS 135 -4.876 -4.269 -6.496 611 HA HIS 135 HA HIS 135 -3.384 -6.803 -6.467 612 1HB HIS 135 1HB HIS 135 -2.980 -4.305 -4.725 613 2HB HIS 135 2HB HIS 135 -1.950 -5.722 -4.656 614 HD2 HIS 135 HD2 HIS 135 -1.424 -2.527 -5.906 615 HE1 HIS 135 HE1 HIS 135 0.282 -4.859 -8.887 616 HE2 HIS 135 HE2 HIS 135 0.230 -2.454 -7.973 617 H ARG 136 H ARG 136 -6.179 -6.167 -4.669 618 HA ARG 136 HA ARG 136 -5.862 -7.817 -2.325 619 1HB ARG 136 1HB ARG 136 -8.158 -7.037 -4.113 620 2HB ARG 136 2HB ARG 136 -8.385 -8.616 -3.461 621 1HG ARG 136 1HG ARG 136 -9.505 -7.085 -2.077 622 2HG ARG 136 2HG ARG 136 -8.211 -7.801 -1.132 623 1HD ARG 136 1HD ARG 136 -6.894 -5.738 -1.159 624 2HD ARG 136 2HD ARG 136 -7.805 -5.085 -2.499 625 HE ARG 136 HE ARG 136 -9.367 -4.147 -1.039 626 1HH1 ARG 136 2HH2 ARG 136 -7.731 -6.743 0.760 627 2HH1 ARG 136 1HH2 ARG 136 -8.487 -6.148 2.322 628 1HH2 ARG 136 1HH1 ARG 136 -10.160 -3.559 0.793 629 2HH2 ARG 136 2HH1 ARG 136 -9.769 -4.467 2.339 630 H SER 137 H SER 137 -5.997 -8.904 -5.666 631 HA SER 137 HA SER 137 -5.407 -11.741 -4.812 632 1HB SER 137 1HB SER 137 -6.932 -10.948 -7.366 633 2HB SER 137 2HB SER 137 -6.353 -12.573 -6.987 634 HG SER 137 HG SER 137 -8.503 -12.243 -6.390 635 H THR 138 H THR 138 -4.442 -9.026 -6.887 636 HA THR 138 HA THR 138 -2.300 -10.692 -8.227 637 HB THR 138 HB THR 138 -2.999 -7.712 -8.632 638 HG1 THR 138 HG1 THR 138 -4.625 -9.190 -9.200 639 1HG2 THR 138 3HG2 THR 138 -1.195 -9.593 -10.305 640 2HG2 THR 138 1HG2 THR 138 -1.822 -8.037 -10.882 641 3HG2 THR 138 2HG2 THR 138 -0.713 -8.076 -9.507 642 H SER 139 H SER 139 -0.128 -10.212 -8.135 643 HA SER 139 HA SER 139 0.944 -9.605 -5.466 644 1HB SER 139 1HB SER 139 1.864 -11.366 -6.982 645 2HB SER 139 2HB SER 139 2.405 -10.132 -8.134 646 HG SER 139 HG SER 139 3.193 -10.447 -5.430 647 H VAL 140 H VAL 140 1.797 -7.812 -4.690 648 HA VAL 140 HA VAL 140 2.077 -5.255 -6.237 649 HB VAL 140 HB VAL 140 2.994 -5.764 -3.348 650 1HG1 VAL 140 3HG1 VAL 140 2.505 -3.117 -4.829 651 2HG1 VAL 140 1HG1 VAL 140 2.877 -3.271 -3.092 652 3HG1 VAL 140 2HG1 VAL 140 4.084 -3.740 -4.295 653 1HG2 VAL 140 3HG2 VAL 140 0.500 -6.090 -3.490 654 2HG2 VAL 140 1HG2 VAL 140 0.930 -4.626 -2.596 655 3HG2 VAL 140 2HG2 VAL 140 0.331 -4.498 -4.269 656 H SER 141 H SER 141 4.365 -7.603 -4.718 657 HA SER 141 HA SER 141 6.781 -6.177 -5.835 658 1HB SER 141 1HB SER 141 6.528 -8.779 -4.184 659 2HB SER 141 2HB SER 141 8.056 -8.074 -4.702 660 HG SER 141 HG SER 141 7.450 -6.164 -3.606 661 H ARG 142 H ARG 142 8.327 -7.263 -7.158 662 HA ARG 142 HA ARG 142 7.182 -8.732 -9.470 663 1HB ARG 142 1HB ARG 142 9.034 -6.980 -9.571 664 2HB ARG 142 2HB ARG 142 10.156 -8.155 -8.930 665 1HG ARG 142 1HG ARG 142 8.550 -8.398 -11.562 666 2HG ARG 142 2HG ARG 142 10.181 -7.785 -11.446 667 1HD ARG 142 1HD ARG 142 9.311 -10.686 -10.887 668 2HD ARG 142 2HD ARG 142 10.130 -10.095 -12.323 669 HE ARG 142 HE ARG 142 11.961 -9.360 -10.324 670 1HH1 ARG 142 2HH2 ARG 142 10.404 -12.459 -11.113 671 2HH1 ARG 142 1HH2 ARG 142 11.866 -13.369 -10.479 672 1HH2 ARG 142 1HH1 ARG 142 13.567 -10.497 -9.632 673 2HH2 ARG 142 2HH1 ARG 142 13.534 -12.330 -9.698 674 H ASN 143 H ASN 143 9.794 -9.715 -7.153 675 HA ASN 143 HA ASN 143 9.551 -12.570 -7.915 676 1HB ASN 143 1HB ASN 143 11.711 -11.423 -7.210 677 2HB ASN 143 2HB ASN 143 11.117 -11.344 -5.570 678 1HD2 ASN 143 1HD2 ASN 143 12.576 -14.923 -6.996 679 2HD2 ASN 143 2HD2 ASN 143 12.263 -13.497 -8.107 680 H GLN 144 H GLN 144 8.819 -10.901 -4.783 681 HA GLN 144 HA GLN 144 7.510 -13.327 -3.656 682 1HB GLN 144 1HB GLN 144 7.676 -10.421 -2.618 683 2HB GLN 144 2HB GLN 144 6.890 -11.718 -1.736 684 1HG GLN 144 1HG GLN 144 9.027 -13.023 -1.607 685 2HG GLN 144 2HG GLN 144 9.862 -11.781 -2.525 686 1HE2 GLN 144 2HE2 GLN 144 9.070 -11.048 1.457 687 2HE2 GLN 144 1HE2 GLN 144 8.275 -12.445 0.572 688 H GLN 145 H GLN 145 5.380 -13.694 -3.256 689 HA GLN 145 HA GLN 145 3.271 -12.172 -4.768 690 1HB GLN 145 1HB GLN 145 1.647 -13.780 -4.000 691 2HB GLN 145 2HB GLN 145 2.990 -14.527 -4.833 692 1HG GLN 145 1HG GLN 145 3.932 -15.355 -2.651 693 2HG GLN 145 2HG GLN 145 2.666 -14.536 -1.754 694 1HE2 GLN 145 2HE2 GLN 145 0.337 -17.220 -2.263 695 2HE2 GLN 145 1HE2 GLN 145 0.734 -15.611 -1.475 696 H ILE 146 H ILE 146 2.206 -10.493 -3.943 697 HA ILE 146 HA ILE 146 1.937 -10.176 -0.911 698 HB ILE 146 HB ILE 146 2.361 -7.748 -2.666 699 1HG1 ILE 146 1HG1 ILE 146 4.472 -8.941 -2.778 700 2HG1 ILE 146 2HG1 ILE 146 4.577 -7.396 -1.964 701 1HG2 ILE 146 2HG2 ILE 146 1.091 -7.315 -0.576 702 2HG2 ILE 146 3HG2 ILE 146 2.347 -8.086 0.401 703 3HG2 ILE 146 1HG2 ILE 146 2.695 -6.567 -0.455 704 1HD1 ILE 146 1HD1 ILE 146 4.602 -10.117 -0.496 705 2HD1 ILE 146 2HD1 ILE 146 6.028 -9.133 -0.896 706 3HD1 ILE 146 3HD1 ILE 146 4.825 -8.514 0.256 707 H PHE 147 H PHE 147 -0.024 -10.692 -0.749 708 HA PHE 147 HA PHE 147 -2.220 -9.659 -2.665 709 1HB PHE 147 1HB PHE 147 -2.291 -12.201 -0.964 710 2HB PHE 147 2HB PHE 147 -3.570 -11.622 -2.004 711 HD1 PHE 147 HD2 PHE 147 -1.167 -10.893 -4.325 712 HD2 PHE 147 HD1 PHE 147 -2.619 -14.340 -2.184 713 HE1 PHE 147 HE2 PHE 147 -0.371 -12.348 -6.116 714 HE2 PHE 147 HE1 PHE 147 -1.843 -15.776 -4.021 715 HZ PHE 147 HZ PHE 147 -0.704 -14.793 -5.975 716 H LEU 148 H LEU 148 -3.253 -8.058 -1.821 717 HA LEU 148 HA LEU 148 -2.892 -7.120 0.858 718 1HB LEU 148 1HB LEU 148 -4.629 -6.191 -1.472 719 2HB LEU 148 2HB LEU 148 -4.921 -5.492 0.092 720 HG LEU 148 HG LEU 148 -2.627 -4.661 0.294 721 1HD1 LEU 148 1HD2 LEU 148 -2.117 -5.854 -2.498 722 2HD1 LEU 148 2HD2 LEU 148 -1.068 -4.668 -1.673 723 3HD1 LEU 148 3HD2 LEU 148 -1.286 -6.289 -0.993 724 1HD2 LEU 148 2HD1 LEU 148 -4.414 -3.250 -0.802 725 2HD2 LEU 148 3HD1 LEU 148 -2.804 -2.879 -1.442 726 3HD2 LEU 148 1HD1 LEU 148 -3.936 -3.871 -2.397 727 H ARG 149 H ARG 149 -3.869 -7.258 2.653 728 HA ARG 149 HA ARG 149 -6.724 -8.325 2.972 729 1HB ARG 149 1HB ARG 149 -4.382 -8.846 4.920 730 2HB ARG 149 2HB ARG 149 -6.027 -9.420 5.101 731 1HG ARG 149 1HG ARG 149 -4.040 -10.292 2.926 732 2HG ARG 149 2HG ARG 149 -4.385 -11.171 4.405 733 1HD ARG 149 1HD ARG 149 -6.706 -11.637 3.687 734 2HD ARG 149 2HD ARG 149 -6.553 -10.598 2.278 735 HE ARG 149 HE ARG 149 -5.050 -13.252 2.706 736 1HH1 ARG 149 2HH2 ARG 149 -6.156 -10.759 0.425 737 2HH1 ARG 149 1HH2 ARG 149 -5.554 -11.768 -0.985 738 1HH2 ARG 149 1HH1 ARG 149 -4.403 -14.307 1.033 739 2HH2 ARG 149 2HH1 ARG 149 -4.630 -13.638 -0.661 740 H ASP 150 H ASP 150 -7.941 -7.151 4.405 741 HA ASP 150 HA ASP 150 -7.048 -4.411 4.958 742 1HB ASP 150 1HB ASP 150 -9.426 -5.214 4.290 743 2HB ASP 150 2HB ASP 150 -9.671 -5.679 5.964 744 H ILE 151 H ILE 151 -6.602 -3.372 6.829 745 HA ILE 151 HA ILE 151 -5.257 -4.840 8.922 746 HB ILE 151 HB ILE 151 -5.087 -2.602 10.179 747 1HG1 ILE 151 1HG1 ILE 151 -6.193 -1.316 7.627 748 2HG1 ILE 151 2HG1 ILE 151 -7.179 -1.543 9.063 749 1HG2 ILE 151 3HG2 ILE 151 -3.999 -2.830 7.329 750 2HG2 ILE 151 1HG2 ILE 151 -3.377 -1.712 8.569 751 3HG2 ILE 151 2HG2 ILE 151 -3.265 -3.460 8.816 752 1HD1 ILE 151 3HD1 ILE 151 -5.576 -0.106 10.411 753 2HD1 ILE 151 1HD1 ILE 151 -4.631 0.194 8.928 754 3HD1 ILE 151 2HD1 ILE 151 -6.312 0.753 9.037 755 H GLU 152 H GLU 152 -5.529 -5.018 11.104 756 HA GLU 152 HA GLU 152 -8.374 -5.673 11.885 757 1HB GLU 152 1HB GLU 152 -6.498 -7.362 12.116 758 2HB GLU 152 2HB GLU 152 -5.733 -6.345 13.315 759 1HG GLU 152 1HG GLU 152 -6.912 -8.137 14.438 760 2HG GLU 152 2HG GLU 152 -7.704 -6.628 14.854 761 HXT GLU 152 HO OH 153 -9.407 -4.223 12.725 No H/Q in entry = 761 Start of MODEL 22 1 1H GLY 58 1H GLY 58 -13.642 -3.330 6.881 2 2H GLY 58 2H GLY 58 -14.016 -1.890 6.205 3 1HA GLY 58 1HA GLY 58 -13.297 -1.601 8.483 4 2HA GLY 58 2HA GLY 58 -11.780 -2.405 8.094 5 H SER 59 H SER 59 -10.170 -1.195 7.178 6 HA SER 59 HA SER 59 -10.696 1.587 6.058 7 1HB SER 59 1HB SER 59 -8.848 1.127 8.494 8 2HB SER 59 2HB SER 59 -8.880 2.599 7.517 9 HG SER 59 HG SER 59 -11.096 2.798 8.011 10 H TRP 60 H TRP 60 -9.766 1.436 4.160 11 HA TRP 60 HA TRP 60 -7.204 -0.064 3.721 12 1HB TRP 60 1HB TRP 60 -7.272 0.336 1.404 13 2HB TRP 60 2HB TRP 60 -8.661 -0.488 2.018 14 HD1 TRP 60 HD1 TRP 60 -10.986 0.508 1.561 15 HE1 TRP 60 HE1 TRP 60 -11.909 2.118 -0.372 16 HE3 TRP 60 HE3 TRP 60 -6.556 2.694 0.544 17 HZ2 TRP 60 HZ2 TRP 60 -10.564 3.942 -2.166 18 HZ3 TRP 60 HZ3 TRP 60 -6.369 4.279 -1.336 19 HH2 TRP 60 HH2 TRP 60 -8.352 4.908 -2.662 20 H PHE 61 H PHE 61 -8.214 3.358 3.303 21 HA PHE 61 HA PHE 61 -5.307 4.250 3.508 22 1HB PHE 61 1HB PHE 61 -6.653 5.195 1.645 23 2HB PHE 61 2HB PHE 61 -7.853 5.815 2.751 24 HD1 PHE 61 HD2 PHE 61 -4.159 6.042 1.947 25 HD2 PHE 61 HD1 PHE 61 -7.560 8.066 3.624 26 HE1 PHE 61 HE2 PHE 61 -2.799 8.063 2.283 27 HE2 PHE 61 HE1 PHE 61 -6.204 10.101 3.893 28 HZ PHE 61 HZ PHE 61 -3.822 10.102 3.239 29 H PHE 62 H PHE 62 -4.558 5.151 5.288 30 HA PHE 62 HA PHE 62 -6.374 5.661 7.710 31 1HB PHE 62 1HB PHE 62 -3.417 5.011 7.573 32 2HB PHE 62 2HB PHE 62 -4.098 5.858 8.931 33 HD1 PHE 62 HD2 PHE 62 -5.840 2.936 7.105 34 HD2 PHE 62 HD1 PHE 62 -3.710 4.258 10.618 35 HE1 PHE 62 HE2 PHE 62 -6.315 0.818 8.203 36 HE2 PHE 62 HE1 PHE 62 -4.202 2.111 11.694 37 HZ PHE 62 HZ PHE 62 -5.504 0.385 10.496 38 H GLY 63 H GLY 63 -3.317 7.280 6.727 39 1HA GLY 63 1HA GLY 63 -4.663 9.861 6.105 40 2HA GLY 63 2HA GLY 63 -4.035 9.856 7.756 41 H LYS 64 H LYS 64 -2.740 11.600 7.035 42 HA LYS 64 HA LYS 64 -0.284 10.924 5.337 43 1HB LYS 64 1HB LYS 64 -1.518 13.092 4.883 44 2HB LYS 64 2HB LYS 64 -1.092 13.651 6.494 45 1HG LYS 64 1HG LYS 64 1.417 13.285 5.814 46 2HG LYS 64 2HG LYS 64 0.840 12.897 4.207 47 1HD LYS 64 1HD LYS 64 1.502 15.142 4.054 48 2HD LYS 64 2HD LYS 64 -0.256 15.226 4.093 49 1HE LYS 64 1HE LYS 64 -0.143 15.819 6.586 50 2HE LYS 64 2HE LYS 64 1.622 15.701 6.524 51 1HZ LYS 64 1HZ LYS 64 1.624 17.511 4.885 52 2HZ LYS 64 2HZ LYS 64 -0.023 17.619 4.942 53 3HZ LYS 64 3HZ LYS 64 0.875 17.985 6.279 54 H ILE 65 H ILE 65 0.657 9.504 6.743 55 HA ILE 65 HA ILE 65 1.878 10.686 9.279 56 HB ILE 65 HB ILE 65 1.869 8.648 10.444 57 1HG1 ILE 65 1HG1 ILE 65 2.108 6.946 8.676 58 2HG1 ILE 65 2HG1 ILE 65 1.031 6.539 9.983 59 1HG2 ILE 65 2HG2 ILE 65 -0.109 10.069 10.784 60 2HG2 ILE 65 3HG2 ILE 65 -1.011 9.161 9.549 61 3HG2 ILE 65 1HG2 ILE 65 -0.496 8.354 11.046 62 1HD1 ILE 65 3HD1 ILE 65 0.045 7.471 7.213 63 2HD1 ILE 65 1HD1 ILE 65 0.175 5.786 7.768 64 3HD1 ILE 65 2HD1 ILE 65 -0.976 6.888 8.557 65 HA PRO 66 HA PRO 66 5.799 9.598 7.243 66 1HB PRO 66 1HB PRO 66 7.571 9.507 9.379 67 2HB PRO 66 2HB PRO 66 6.812 10.994 8.794 68 1HG PRO 66 1HG PRO 66 5.910 9.246 11.144 69 2HG PRO 66 2HG PRO 66 6.182 11.007 11.137 70 1HD PRO 66 1HD PRO 66 3.666 9.939 10.817 71 2HD PRO 66 2HD PRO 66 4.135 11.420 9.939 72 H ARG 67 H ARG 67 7.684 7.973 7.461 73 HA ARG 67 HA ARG 67 6.637 5.293 7.102 74 1HB ARG 67 1HB ARG 67 8.772 6.379 6.085 75 2HB ARG 67 2HB ARG 67 9.610 5.958 7.564 76 1HG ARG 67 1HG ARG 67 8.995 3.502 7.162 77 2HG ARG 67 2HG ARG 67 8.161 3.993 5.686 78 1HD ARG 67 1HD ARG 67 10.328 4.853 4.720 79 2HD ARG 67 2HD ARG 67 11.183 4.352 6.194 80 HE ARG 67 HE ARG 67 9.760 2.015 5.229 81 1HH1 ARG 67 2HH2 ARG 67 12.427 4.086 4.118 82 2HH1 ARG 67 1HH2 ARG 67 13.146 2.682 3.182 83 1HH2 ARG 67 1HH1 ARG 67 10.664 0.489 4.129 84 2HH2 ARG 67 2HH1 ARG 67 12.212 0.783 3.189 85 H ALA 68 H ALA 68 8.287 6.649 9.902 86 HA ALA 68 HA ALA 68 8.538 4.099 11.433 87 1HB ALA 68 2HB ALA 68 10.123 5.962 11.866 88 2HB ALA 68 3HB ALA 68 8.795 7.001 12.447 89 3HB ALA 68 1HB ALA 68 9.245 5.530 13.344 90 H LYS 69 H LYS 69 6.168 6.812 11.562 91 HA LYS 69 HA LYS 69 4.483 5.583 13.656 92 1HB LYS 69 1HB LYS 69 4.502 8.051 13.006 93 2HB LYS 69 2HB LYS 69 3.627 7.640 11.538 94 1HG LYS 69 1HG LYS 69 1.684 6.844 12.853 95 2HG LYS 69 2HG LYS 69 2.581 6.966 14.368 96 1HD LYS 69 1HD LYS 69 2.735 9.445 14.148 97 2HD LYS 69 2HD LYS 69 1.952 9.395 12.569 98 1HE LYS 69 1HE LYS 69 -0.146 8.420 13.635 99 2HE LYS 69 2HE LYS 69 0.634 8.497 15.222 100 1HZ LYS 69 3HZ LYS 69 0.096 10.844 13.462 101 2HZ LYS 69 1HZ LYS 69 -0.756 10.433 14.817 102 3HZ LYS 69 2HZ LYS 69 0.818 10.917 14.946 103 H ALA 70 H ALA 70 4.531 5.237 10.132 104 HA ALA 70 HA ALA 70 2.040 3.621 9.882 105 1HB ALA 70 1HB ALA 70 4.479 3.868 8.008 106 2HB ALA 70 2HB ALA 70 2.964 3.028 7.606 107 3HB ALA 70 3HB ALA 70 2.949 4.775 7.909 108 H GLU 71 H GLU 71 5.489 2.758 10.321 109 HA GLU 71 HA GLU 71 5.095 -0.179 10.403 110 1HB GLU 71 1HB GLU 71 7.374 1.595 11.467 111 2HB GLU 71 2HB GLU 71 7.399 -0.160 11.548 112 1HG GLU 71 1HG GLU 71 7.335 -0.389 9.086 113 2HG GLU 71 2HG GLU 71 7.115 1.339 8.874 114 H GLU 72 H GLU 72 5.177 2.297 13.012 115 HA GLU 72 HA GLU 72 4.839 0.495 15.262 116 1HB GLU 72 1HB GLU 72 5.554 2.920 15.359 117 2HB GLU 72 2HB GLU 72 3.913 3.416 14.966 118 1HG GLU 72 1HG GLU 72 3.127 2.262 17.145 119 2HG GLU 72 2HG GLU 72 4.810 1.889 17.505 120 H MET 73 H MET 73 2.307 2.219 13.364 121 HA MET 73 HA MET 73 0.025 1.056 14.826 122 1HB MET 73 1HB MET 73 0.132 2.396 12.056 123 2HB MET 73 2HB MET 73 -1.354 1.883 12.834 124 1HG MET 73 1HG MET 73 0.554 4.043 13.924 125 2HG MET 73 2HG MET 73 -1.009 4.293 13.148 126 1HE MET 73 3HE MET 73 0.476 4.683 16.406 127 2HE MET 73 2HE MET 73 -0.351 3.612 17.577 128 3HE MET 73 1HE MET 73 0.832 2.928 16.424 129 H LEU 74 H LEU 74 1.490 0.115 11.663 130 HA LEU 74 HA LEU 74 -0.369 -2.178 11.394 131 1HB LEU 74 1HB LEU 74 0.886 -0.726 9.485 132 2HB LEU 74 2HB LEU 74 2.148 -1.912 9.701 133 HG LEU 74 HG LEU 74 0.365 -3.732 9.207 134 1HD1 LEU 74 3HD2 LEU 74 -1.739 -2.388 9.706 135 2HD1 LEU 74 1HD2 LEU 74 -1.383 -1.343 8.312 136 3HD1 LEU 74 2HD2 LEU 74 -1.745 -3.060 8.079 137 1HD2 LEU 74 1HD1 LEU 74 1.001 -1.561 7.105 138 2HD2 LEU 74 2HD1 LEU 74 1.999 -2.977 7.525 139 3HD2 LEU 74 3HD1 LEU 74 0.451 -3.209 6.728 140 H SER 75 H SER 75 2.688 -1.988 13.041 141 HA SER 75 HA SER 75 3.357 -4.861 12.984 142 1HB SER 75 1HB SER 75 4.736 -4.458 14.984 143 2HB SER 75 2HB SER 75 5.040 -3.255 13.739 144 HG SER 75 HG SER 75 3.348 -2.943 16.002 145 H LYS 76 H LYS 76 0.993 -3.047 14.862 146 HA LYS 76 HA LYS 76 0.180 -5.133 16.762 147 1HB LYS 76 1HB LYS 76 -1.688 -3.010 15.562 148 2HB LYS 76 2HB LYS 76 -1.896 -3.878 17.067 149 1HG LYS 76 1HG LYS 76 0.182 -1.694 16.462 150 2HG LYS 76 2HG LYS 76 -1.275 -1.526 17.422 151 1HD LYS 76 1HD LYS 76 -0.363 -3.096 19.161 152 2HD LYS 76 2HD LYS 76 1.095 -3.348 18.191 153 1HE LYS 76 1HE LYS 76 1.654 -0.875 18.360 154 2HE LYS 76 2HE LYS 76 0.204 -0.613 19.341 155 1HZ LYS 76 2HZ LYS 76 2.474 -2.397 20.084 156 2HZ LYS 76 3HZ LYS 76 2.168 -0.903 20.718 157 3HZ LYS 76 1HZ LYS 76 1.122 -2.150 21.001 158 H GLN 77 H GLN 77 -0.919 -4.407 13.435 159 HA GLN 77 HA GLN 77 -2.868 -6.582 13.173 160 1HB GLN 77 1HB GLN 77 -1.366 -4.799 11.178 161 2HB GLN 77 2HB GLN 77 -2.081 -6.266 10.580 162 1HG GLN 77 1HG GLN 77 -3.643 -4.537 10.200 163 2HG GLN 77 2HG GLN 77 -4.303 -5.671 11.350 164 1HE2 GLN 77 2HE2 GLN 77 -4.160 -1.777 12.417 165 2HE2 GLN 77 1HE2 GLN 77 -3.775 -2.410 10.737 166 H ARG 78 H ARG 78 -2.395 -8.534 13.477 167 HA ARG 78 HA ARG 78 0.241 -9.863 13.045 168 1HB ARG 78 1HB ARG 78 -0.787 -11.827 14.058 169 2HB ARG 78 2HB ARG 78 -1.146 -10.396 14.991 170 1HG ARG 78 1HG ARG 78 -3.494 -10.343 13.835 171 2HG ARG 78 2HG ARG 78 -3.076 -11.864 13.081 172 1HD ARG 78 1HD ARG 78 -4.484 -12.320 14.957 173 2HD ARG 78 2HD ARG 78 -2.883 -12.968 15.337 174 HE ARG 78 HE ARG 78 -2.913 -10.328 16.488 175 1HH1 ARG 78 2HH2 ARG 78 -4.835 -13.288 16.920 176 2HH1 ARG 78 1HH2 ARG 78 -5.222 -12.800 18.646 177 1HH2 ARG 78 1HH1 ARG 78 -3.415 -9.873 18.459 178 2HH2 ARG 78 2HH1 ARG 78 -4.470 -10.995 19.456 179 H HIS 79 H HIS 79 -2.502 -9.563 10.942 180 HA HIS 79 HA HIS 79 -2.166 -12.187 9.620 181 1HB HIS 79 1HB HIS 79 -3.952 -9.833 8.755 182 2HB HIS 79 2HB HIS 79 -4.074 -11.481 8.194 183 HD2 HIS 79 HD2 HIS 79 -4.580 -13.400 10.354 184 HE1 HIS 79 HE1 HIS 79 -6.601 -10.634 12.705 185 HE2 HIS 79 HE2 HIS 79 -6.189 -13.157 12.453 186 H ASP 80 H ASP 80 -1.596 -12.644 7.560 187 HA ASP 80 HA ASP 80 0.511 -10.970 6.286 188 1HB ASP 80 1HB ASP 80 -0.712 -13.646 5.364 189 2HB ASP 80 2HB ASP 80 0.588 -12.812 4.536 190 H GLY 81 H GLY 81 0.128 -9.409 4.831 191 1HA GLY 81 1HA GLY 81 -0.934 -8.475 2.803 192 2HA GLY 81 2HA GLY 81 -2.375 -9.421 3.067 193 H ALA 82 H ALA 82 -1.987 -8.337 6.124 194 HA ALA 82 HA ALA 82 -4.178 -6.381 5.885 195 1HB ALA 82 3HB ALA 82 -2.397 -7.085 8.298 196 2HB ALA 82 1HB ALA 82 -3.839 -6.044 8.356 197 3HB ALA 82 2HB ALA 82 -4.006 -7.745 7.900 198 H PHE 83 H PHE 83 -3.923 -4.398 5.135 199 HA PHE 83 HA PHE 83 -1.228 -2.964 5.452 200 1HB PHE 83 1HB PHE 83 -1.251 -2.273 3.221 201 2HB PHE 83 2HB PHE 83 -1.554 -3.962 3.227 202 HD1 PHE 83 HD2 PHE 83 -3.030 -0.620 2.565 203 HD2 PHE 83 HD1 PHE 83 -3.839 -4.835 2.464 204 HE1 PHE 83 HE2 PHE 83 -5.153 -0.185 1.445 205 HE2 PHE 83 HE1 PHE 83 -6.019 -4.386 1.418 206 HZ PHE 83 HZ PHE 83 -6.700 -2.068 0.932 207 H LEU 84 H LEU 84 -1.067 -0.817 5.286 208 HA LEU 84 HA LEU 84 -3.529 0.931 5.412 209 1HB LEU 84 1HB LEU 84 -2.888 2.348 7.160 210 2HB LEU 84 2HB LEU 84 -2.945 0.715 7.745 211 HG LEU 84 HG LEU 84 -0.250 0.819 7.430 212 1HD1 LEU 84 3HD1 LEU 84 -1.004 3.806 7.802 213 2HD1 LEU 84 1HD1 LEU 84 0.630 3.133 7.986 214 3HD1 LEU 84 2HD1 LEU 84 -0.141 3.148 6.401 215 1HD2 LEU 84 1HD2 LEU 84 -1.472 0.509 9.639 216 2HD2 LEU 84 2HD2 LEU 84 -0.038 1.536 9.796 217 3HD2 LEU 84 3HD2 LEU 84 -1.657 2.269 9.775 218 H ILE 85 H ILE 85 -3.383 2.315 3.776 219 HA ILE 85 HA ILE 85 -0.729 2.908 2.447 220 HB ILE 85 HB ILE 85 -3.590 3.692 1.691 221 1HG1 ILE 85 1HG1 ILE 85 -1.539 1.963 0.155 222 2HG1 ILE 85 2HG1 ILE 85 -2.644 1.266 1.318 223 1HG2 ILE 85 2HG2 ILE 85 -2.072 5.580 0.983 224 2HG2 ILE 85 3HG2 ILE 85 -0.993 4.430 0.168 225 3HG2 ILE 85 1HG2 ILE 85 -2.656 4.692 -0.422 226 1HD1 ILE 85 3HD1 ILE 85 -3.588 2.738 -1.207 227 2HD1 ILE 85 1HD1 ILE 85 -3.500 0.975 -0.964 228 3HD1 ILE 85 2HD1 ILE 85 -4.615 1.940 0.018 229 H ARG 86 H ARG 86 0.466 4.447 3.180 230 HA ARG 86 HA ARG 86 -0.598 6.825 4.753 231 1HB ARG 86 1HB ARG 86 1.622 7.311 5.437 232 2HB ARG 86 2HB ARG 86 1.340 5.609 5.724 233 1HG ARG 86 1HG ARG 86 2.703 5.077 3.616 234 2HG ARG 86 2HG ARG 86 3.006 6.806 3.423 235 1HD ARG 86 1HD ARG 86 4.072 6.768 5.817 236 2HD ARG 86 2HD ARG 86 3.891 5.024 5.770 237 HE ARG 86 HE ARG 86 5.618 4.815 4.092 238 1HH1 ARG 86 2HH2 ARG 86 5.029 8.250 4.805 239 2HH1 ARG 86 1HH2 ARG 86 6.593 8.703 3.959 240 1HH2 ARG 86 1HH1 ARG 86 7.366 5.444 3.159 241 2HH2 ARG 86 2HH1 ARG 86 7.825 7.219 3.091 242 H GLU 87 H GLU 87 -0.267 8.938 4.033 243 HA GLU 87 HA GLU 87 0.346 9.338 1.071 244 1HB GLU 87 1HB GLU 87 -1.703 10.425 2.087 245 2HB GLU 87 2HB GLU 87 -0.675 11.485 3.020 246 1HG GLU 87 1HG GLU 87 -0.645 11.260 -0.079 247 2HG GLU 87 2HG GLU 87 -1.652 12.385 0.804 248 H SER 88 H SER 88 2.347 9.788 0.562 249 HA SER 88 HA SER 88 4.530 9.860 2.452 250 1HB SER 88 1HB SER 88 4.646 10.647 -0.528 251 2HB SER 88 2HB SER 88 6.029 10.284 0.504 252 HG SER 88 HG SER 88 5.134 8.218 0.863 253 H GLU 89 H GLU 89 5.096 11.450 3.711 254 HA GLU 89 HA GLU 89 4.506 14.356 3.049 255 1HB GLU 89 1HB GLU 89 4.999 14.944 5.302 256 2HB GLU 89 2HB GLU 89 3.616 13.894 5.037 257 1HG GLU 89 1HG GLU 89 5.001 11.894 5.899 258 2HG GLU 89 2HG GLU 89 6.315 13.007 6.269 259 H SER 90 H SER 90 5.839 14.711 1.657 260 HA SER 90 HA SER 90 8.463 15.721 1.732 261 1HB SER 90 1HB SER 90 9.910 13.956 0.660 262 2HB SER 90 2HB SER 90 9.503 13.574 2.324 263 HG SER 90 HG SER 90 7.827 12.224 1.526 264 H ALA 91 H ALA 91 6.022 13.867 -0.010 265 HA ALA 91 HA ALA 91 6.257 15.748 -2.376 266 1HB ALA 91 3HB ALA 91 6.219 12.699 -2.822 267 2HB ALA 91 1HB ALA 91 5.970 13.941 -4.074 268 3HB ALA 91 2HB ALA 91 7.531 13.827 -3.237 269 HA PRO 92 HA PRO 92 1.937 15.320 -0.606 270 1HB PRO 92 1HB PRO 92 1.645 17.965 -2.133 271 2HB PRO 92 2HB PRO 92 1.025 17.528 -0.527 272 1HG PRO 92 1HG PRO 92 3.266 19.050 -0.726 273 2HG PRO 92 2HG PRO 92 3.227 17.731 0.470 274 1HD PRO 92 1HD PRO 92 4.558 17.715 -2.299 275 2HD PRO 92 2HD PRO 92 5.191 17.123 -0.733 276 H GLY 93 H GLY 93 0.220 14.355 -1.479 277 1HA GLY 93 1HA GLY 93 -1.369 13.672 -3.237 278 2HA GLY 93 2HA GLY 93 -0.373 14.390 -4.478 279 H ASP 94 H ASP 94 2.071 12.952 -3.276 280 HA ASP 94 HA ASP 94 1.763 10.349 -4.812 281 1HB ASP 94 1HB ASP 94 4.212 11.723 -3.515 282 2HB ASP 94 2HB ASP 94 4.284 10.092 -4.118 283 H PHE 95 H PHE 95 1.617 8.411 -3.855 284 HA PHE 95 HA PHE 95 1.265 8.316 -0.813 285 1HB PHE 95 1HB PHE 95 -0.061 6.673 -3.071 286 2HB PHE 95 2HB PHE 95 -0.242 6.317 -1.389 287 HD1 PHE 95 HD1 PHE 95 -1.482 7.934 0.165 288 HD2 PHE 95 HD2 PHE 95 -1.283 8.566 -4.083 289 HE1 PHE 95 HE1 PHE 95 -3.321 9.577 0.303 290 HE2 PHE 95 HE2 PHE 95 -3.133 10.191 -3.915 291 HZ PHE 95 HZ PHE 95 -4.145 10.695 -1.725 292 H SER 96 H SER 96 1.491 6.103 0.080 293 HA SER 96 HA SER 96 3.547 4.303 -1.169 294 1HB SER 96 1HB SER 96 4.106 5.594 1.584 295 2HB SER 96 2HB SER 96 4.906 4.129 1.004 296 HG SER 96 HG SER 96 4.888 6.639 -0.304 297 H LEU 97 H LEU 97 2.777 2.367 -0.959 298 HA LEU 97 HA LEU 97 0.608 1.567 0.980 299 1HB LEU 97 1HB LEU 97 0.524 0.785 -1.339 300 2HB LEU 97 2HB LEU 97 2.133 0.090 -1.224 301 HG LEU 97 HG LEU 97 1.210 -1.472 0.629 302 1HD1 LEU 97 3HD1 LEU 97 -1.525 -0.558 -0.446 303 2HD1 LEU 97 1HD1 LEU 97 -1.231 -1.971 0.596 304 3HD1 LEU 97 2HD1 LEU 97 -0.900 -0.344 1.214 305 1HD2 LEU 97 3HD2 LEU 97 1.737 -2.208 -1.709 306 2HD2 LEU 97 1HD2 LEU 97 0.358 -3.088 -1.025 307 3HD2 LEU 97 2HD2 LEU 97 0.078 -1.777 -2.206 308 H SER 98 H SER 98 1.172 1.148 2.942 309 HA SER 98 HA SER 98 3.809 -0.246 3.740 310 1HB SER 98 1HB SER 98 1.787 0.800 5.753 311 2HB SER 98 2HB SER 98 3.515 0.545 5.939 312 HG SER 98 HG SER 98 2.277 2.524 4.339 313 H VAL 99 H VAL 99 3.418 -2.463 3.479 314 HA VAL 99 HA VAL 99 0.689 -3.655 4.267 315 HB VAL 99 HB VAL 99 0.610 -3.524 1.965 316 1HG1 VAL 99 2HG1 VAL 99 2.951 -3.312 1.212 317 2HG1 VAL 99 3HG1 VAL 99 3.287 -5.011 1.628 318 3HG1 VAL 99 1HG1 VAL 99 2.147 -4.606 0.316 319 1HG2 VAL 99 3HG2 VAL 99 -0.233 -5.683 3.031 320 2HG2 VAL 99 1HG2 VAL 99 0.116 -5.806 1.295 321 3HG2 VAL 99 2HG2 VAL 99 1.247 -6.486 2.492 322 H LYS 100 H LYS 100 0.905 -4.904 5.896 323 HA LYS 100 HA LYS 100 3.471 -6.177 6.720 324 1HB LYS 100 1HB LYS 100 1.754 -5.111 8.256 325 2HB LYS 100 2HB LYS 100 0.726 -6.513 8.064 326 1HG LYS 100 1HG LYS 100 3.643 -6.617 9.119 327 2HG LYS 100 2HG LYS 100 2.258 -6.287 10.145 328 1HD LYS 100 1HD LYS 100 1.240 -8.530 9.516 329 2HD LYS 100 2HD LYS 100 2.696 -8.908 8.585 330 1HE LYS 100 1HE LYS 100 4.116 -8.690 10.661 331 2HE LYS 100 2HE LYS 100 2.691 -8.251 11.612 332 1HZ LYS 100 2HZ LYS 100 1.734 -10.432 11.091 333 2HZ LYS 100 3HZ LYS 100 3.065 -10.849 10.206 334 3HZ LYS 100 1HZ LYS 100 3.202 -10.595 11.832 335 H PHE 101 H PHE 101 4.033 -7.772 5.306 336 HA PHE 101 HA PHE 101 2.153 -10.176 4.988 337 1HB PHE 101 1HB PHE 101 2.581 -8.709 2.881 338 2HB PHE 101 2HB PHE 101 4.207 -9.332 2.871 339 HD1 PHE 101 HD1 PHE 101 4.525 -11.922 2.578 340 HD2 PHE 101 HD2 PHE 101 0.702 -10.015 2.076 341 HE1 PHE 101 HE1 PHE 101 3.667 -13.916 1.419 342 HE2 PHE 101 HE2 PHE 101 -0.146 -12.022 0.946 343 HZ PHE 101 HZ PHE 101 1.332 -13.975 0.609 344 H GLY 102 H GLY 102 2.901 -11.934 5.853 345 1HA GLY 102 1HA GLY 102 4.424 -13.650 6.630 346 2HA GLY 102 2HA GLY 102 5.805 -12.725 6.059 347 H ASN 103 H ASN 103 6.919 -11.663 7.584 348 HA ASN 103 HA ASN 103 5.587 -10.510 10.050 349 1HB ASN 103 1HB ASN 103 8.068 -12.330 10.310 350 2HB ASN 103 2HB ASN 103 7.501 -11.243 11.556 351 1HD2 ASN 103 1HD2 ASN 103 5.741 -14.857 11.422 352 2HD2 ASN 103 2HD2 ASN 103 7.191 -14.388 10.400 353 H ASP 104 H ASP 104 6.009 -9.013 8.031 354 HA ASP 104 HA ASP 104 8.185 -7.107 8.829 355 1HB ASP 104 1HB ASP 104 8.233 -8.278 5.960 356 2HB ASP 104 2HB ASP 104 9.120 -6.860 6.488 357 H VAL 105 H VAL 105 7.631 -5.117 8.294 358 HA VAL 105 HA VAL 105 5.000 -4.553 6.829 359 HB VAL 105 HB VAL 105 6.633 -2.661 8.595 360 1HG1 VAL 105 1HG2 VAL 105 3.966 -2.159 7.103 361 2HG1 VAL 105 2HG2 VAL 105 4.680 -1.062 8.312 362 3HG1 VAL 105 3HG2 VAL 105 5.510 -1.375 6.783 363 1HG2 VAL 105 2HG1 VAL 105 5.363 -4.353 9.962 364 2HG2 VAL 105 3HG1 VAL 105 4.668 -2.736 10.151 365 3HG2 VAL 105 1HG1 VAL 105 3.858 -3.934 9.111 366 H GLN 106 H GLN 106 5.403 -4.569 4.765 367 HA GLN 106 HA GLN 106 8.066 -3.672 3.599 368 1HB GLN 106 1HB GLN 106 5.809 -5.445 2.487 369 2HB GLN 106 2HB GLN 106 7.143 -4.866 1.499 370 1HG GLN 106 1HG GLN 106 8.830 -5.949 2.886 371 2HG GLN 106 2HG GLN 106 7.646 -6.420 4.096 372 1HE2 GLN 106 2HE2 GLN 106 6.951 -9.477 2.334 373 2HE2 GLN 106 1HE2 GLN 106 6.915 -8.494 3.883 374 H HIS 107 H HIS 107 8.180 -1.734 2.838 375 HA HIS 107 HA HIS 107 5.740 -0.114 2.148 376 1HB HIS 107 1HB HIS 107 8.668 0.528 2.827 377 2HB HIS 107 2HB HIS 107 7.691 1.699 2.021 378 HD2 HIS 107 HD2 HIS 107 7.256 -0.555 5.227 379 HE1 HIS 107 HE1 HIS 107 5.238 2.940 5.970 380 HE2 HIS 107 HE2 HIS 107 5.988 0.800 7.092 381 H PHE 108 H PHE 108 5.119 -0.175 0.101 382 HA PHE 108 HA PHE 108 7.145 -0.224 -2.220 383 1HB PHE 108 1HB PHE 108 4.229 -1.126 -2.377 384 2HB PHE 108 2HB PHE 108 5.380 -1.139 -3.678 385 HD1 PHE 108 HD1 PHE 108 7.486 -2.679 -3.507 386 HD2 PHE 108 HD2 PHE 108 4.120 -3.053 -0.855 387 HE1 PHE 108 HE1 PHE 108 8.243 -4.927 -2.846 388 HE2 PHE 108 HE2 PHE 108 4.895 -5.303 -0.208 389 HZ PHE 108 HZ PHE 108 6.959 -6.234 -1.191 390 H LYS 109 H LYS 109 7.250 1.618 -3.173 391 HA LYS 109 HA LYS 109 5.526 3.887 -2.307 392 1HB LYS 109 1HB LYS 109 8.047 3.980 -2.491 393 2HB LYS 109 2HB LYS 109 7.922 4.058 -4.235 394 1HG LYS 109 1HG LYS 109 6.441 6.065 -2.409 395 2HG LYS 109 2HG LYS 109 8.159 6.238 -2.695 396 1HD LYS 109 1HD LYS 109 7.871 6.605 -5.094 397 2HD LYS 109 2HD LYS 109 6.198 6.106 -5.044 398 1HE LYS 109 1HE LYS 109 6.150 8.487 -5.221 399 2HE LYS 109 2HE LYS 109 5.599 8.098 -3.595 400 1HZ LYS 109 2HZ LYS 109 8.347 9.019 -4.315 401 2HZ LYS 109 3HZ LYS 109 7.175 9.932 -3.592 402 3HZ LYS 109 1HZ LYS 109 7.848 8.659 -2.782 403 H VAL 110 H VAL 110 3.857 4.668 -3.314 404 HA VAL 110 HA VAL 110 3.045 3.833 -6.123 405 HB VAL 110 HB VAL 110 1.525 5.552 -4.083 406 1HG1 VAL 110 3HG2 VAL 110 0.729 5.973 -6.414 407 2HG1 VAL 110 1HG2 VAL 110 0.496 4.230 -6.674 408 3HG1 VAL 110 2HG2 VAL 110 -0.505 5.110 -5.487 409 1HG2 VAL 110 2HG1 VAL 110 1.742 3.203 -3.187 410 2HG2 VAL 110 3HG1 VAL 110 0.071 3.636 -3.573 411 3HG2 VAL 110 1HG1 VAL 110 0.985 2.587 -4.677 412 H LEU 111 H LEU 111 4.285 4.995 -7.575 413 HA LEU 111 HA LEU 111 4.600 8.001 -7.171 414 1HB LEU 111 1HB LEU 111 6.390 7.914 -8.825 415 2HB LEU 111 2HB LEU 111 6.737 7.019 -7.388 416 HG LEU 111 HG LEU 111 5.570 5.352 -9.625 417 1HD1 LEU 111 2HD1 LEU 111 7.088 6.887 -10.935 418 2HD1 LEU 111 3HD1 LEU 111 8.447 6.501 -9.852 419 3HD1 LEU 111 1HD1 LEU 111 7.748 5.240 -10.898 420 1HD2 LEU 111 1HD2 LEU 111 6.343 4.248 -7.551 421 2HD2 LEU 111 2HD2 LEU 111 7.302 3.700 -8.932 422 3HD2 LEU 111 3HD2 LEU 111 7.992 4.872 -7.778 423 H ARG 112 H ARG 112 4.116 9.438 -8.751 424 HA ARG 112 HA ARG 112 1.851 8.631 -10.594 425 1HB ARG 112 1HB ARG 112 2.841 11.352 -9.546 426 2HB ARG 112 2HB ARG 112 1.594 11.216 -10.768 427 1HG ARG 112 1HG ARG 112 0.077 9.978 -9.275 428 2HG ARG 112 2HG ARG 112 1.282 9.959 -7.976 429 1HD ARG 112 1HD ARG 112 1.307 12.406 -7.824 430 2HD ARG 112 2HD ARG 112 0.312 12.567 -9.290 431 HE ARG 112 HE ARG 112 -1.227 11.071 -7.323 432 1HH1 ARG 112 2HH2 ARG 112 -0.048 14.377 -7.907 433 2HH1 ARG 112 1HH2 ARG 112 -1.505 15.068 -7.031 434 1HH2 ARG 112 1HH1 ARG 112 -2.848 11.978 -6.345 435 2HH2 ARG 112 2HH1 ARG 112 -2.976 13.804 -6.210 436 H ASP 113 H ASP 113 1.604 9.557 -12.668 437 HA ASP 113 HA ASP 113 4.050 10.682 -14.067 438 1HB ASP 113 1HB ASP 113 3.850 9.399 -16.089 439 2HB ASP 113 2HB ASP 113 4.254 8.387 -14.735 440 H GLY 114 H GLY 114 3.069 12.644 -13.786 441 1HA GLY 114 1HA GLY 114 2.086 14.541 -14.848 442 2HA GLY 114 2HA GLY 114 1.470 13.498 -16.107 443 H ALA 115 H ALA 115 0.712 15.178 -13.210 444 HA ALA 115 HA ALA 115 -1.298 15.940 -12.370 445 1HB ALA 115 2HB ALA 115 -2.350 16.031 -14.600 446 2HB ALA 115 3HB ALA 115 -2.950 14.367 -14.408 447 3HB ALA 115 1HB ALA 115 -3.515 15.644 -13.313 448 H GLY 116 H GLY 116 -2.252 12.556 -13.074 449 1HA GLY 116 1HA GLY 116 -1.603 11.616 -10.368 450 2HA GLY 116 2HA GLY 116 -3.324 11.977 -10.421 451 H LYS 117 H LYS 117 -0.826 10.277 -12.329 452 HA LYS 117 HA LYS 117 -2.780 7.946 -12.840 453 1HB LYS 117 1HB LYS 117 -0.310 8.816 -14.443 454 2HB LYS 117 2HB LYS 117 -0.999 7.214 -14.539 455 1HG LYS 117 1HG LYS 117 -1.787 8.453 -16.401 456 2HG LYS 117 2HG LYS 117 -3.165 8.067 -15.379 457 1HD LYS 117 1HD LYS 117 -3.312 10.364 -14.542 458 2HD LYS 117 2HD LYS 117 -1.734 10.780 -15.217 459 1HE LYS 117 1HE LYS 117 -2.634 10.549 -17.556 460 2HE LYS 117 2HE LYS 117 -4.214 10.064 -16.921 461 1HZ LYS 117 3HZ LYS 117 -2.899 12.691 -16.421 462 2HZ LYS 117 1HZ LYS 117 -4.160 12.418 -17.453 463 3HZ LYS 117 2HZ LYS 117 -4.372 12.240 -15.824 464 H TYR 118 H TYR 118 -2.521 7.018 -10.912 465 HA TYR 118 HA TYR 118 -0.014 6.833 -9.403 466 1HB TYR 118 1HB TYR 118 -2.648 5.251 -8.944 467 2HB TYR 118 2HB TYR 118 -1.376 5.453 -7.787 468 HD1 TYR 118 HD2 TYR 118 -0.821 7.956 -7.007 469 HD2 TYR 118 HD1 TYR 118 -4.499 6.755 -8.900 470 HE1 TYR 118 HE2 TYR 118 -1.976 9.884 -6.026 471 HE2 TYR 118 HE1 TYR 118 -5.631 8.691 -7.917 472 HH TYR 118 HH TYR 118 -5.446 10.466 -6.614 473 H PHE 119 H PHE 119 1.509 5.217 -9.548 474 HA PHE 119 HA PHE 119 0.740 2.396 -10.342 475 1HB PHE 119 1HB PHE 119 2.123 2.067 -12.160 476 2HB PHE 119 2HB PHE 119 1.203 3.493 -12.503 477 HD1 PHE 119 HD2 PHE 119 2.348 5.829 -12.297 478 HD2 PHE 119 HD1 PHE 119 4.544 2.133 -12.338 479 HE1 PHE 119 HE2 PHE 119 4.384 7.040 -12.932 480 HE2 PHE 119 HE1 PHE 119 6.569 3.359 -13.021 481 HZ PHE 119 HZ PHE 119 6.490 5.809 -13.338 482 H LEU 120 H LEU 120 1.659 1.104 -8.929 483 HA LEU 120 HA LEU 120 4.438 1.720 -7.803 484 1HB LEU 120 1HB LEU 120 4.031 -0.006 -5.998 485 2HB LEU 120 2HB LEU 120 3.380 1.590 -5.853 486 HG LEU 120 HG LEU 120 1.107 0.898 -6.214 487 1HD1 LEU 120 3HD1 LEU 120 2.094 -1.991 -6.651 488 2HD1 LEU 120 1HD1 LEU 120 0.407 -1.506 -6.342 489 3HD1 LEU 120 2HD1 LEU 120 1.207 -0.961 -7.812 490 1HD2 LEU 120 1HD2 LEU 120 2.161 0.705 -3.894 491 2HD2 LEU 120 2HD2 LEU 120 0.801 -0.409 -4.131 492 3HD2 LEU 120 3HD2 LEU 120 2.474 -1.015 -4.200 493 H TRP 121 H TRP 121 2.472 -0.897 -9.230 494 HA TRP 121 HA TRP 121 4.832 -2.766 -9.344 495 1HB TRP 121 1HB TRP 121 2.657 -3.563 -8.521 496 2HB TRP 121 2HB TRP 121 1.839 -3.051 -9.967 497 HD1 TRP 121 HD1 TRP 121 4.775 -5.613 -9.132 498 HE1 TRP 121 HE1 TRP 121 4.380 -7.872 -10.428 499 HE3 TRP 121 HE3 TRP 121 0.658 -4.071 -11.740 500 HZ2 TRP 121 HZ2 TRP 121 2.399 -8.729 -12.307 501 HZ3 TRP 121 HZ3 TRP 121 -0.454 -5.664 -13.261 502 HH2 TRP 121 HH2 TRP 121 0.396 -7.958 -13.537 503 H VAL 122 H VAL 122 2.433 -2.382 -11.929 504 HA VAL 122 HA VAL 122 4.578 -1.632 -13.955 505 HB VAL 122 HB VAL 122 2.826 -4.060 -14.283 506 1HG1 VAL 122 2HG1 VAL 122 3.159 -2.933 -16.491 507 2HG1 VAL 122 3HG1 VAL 122 4.921 -2.924 -16.244 508 3HG1 VAL 122 1HG1 VAL 122 4.046 -4.463 -16.447 509 1HG2 VAL 122 3HG2 VAL 122 4.736 -4.645 -12.795 510 2HG2 VAL 122 1HG2 VAL 122 4.948 -5.416 -14.369 511 3HG2 VAL 122 2HG2 VAL 122 5.892 -3.960 -13.960 512 H VAL 123 H VAL 123 1.101 -2.577 -13.902 513 HA VAL 123 HA VAL 123 0.470 -0.516 -15.926 514 HB VAL 123 HB VAL 123 -0.532 -2.752 -15.977 515 1HG1 VAL 123 2HG2 VAL 123 -1.003 -3.202 -13.543 516 2HG1 VAL 123 3HG2 VAL 123 -2.300 -1.989 -13.577 517 3HG1 VAL 123 1HG2 VAL 123 -2.432 -3.466 -14.560 518 1HG2 VAL 123 2HG1 VAL 123 -1.628 -0.877 -17.199 519 2HG2 VAL 123 3HG1 VAL 123 -2.792 -2.117 -16.692 520 3HG2 VAL 123 1HG1 VAL 123 -2.696 -0.576 -15.806 521 H LYS 124 H LYS 124 -0.542 1.359 -15.729 522 HA LYS 124 HA LYS 124 -0.679 2.642 -13.006 523 1HB LYS 124 1HB LYS 124 -0.605 4.766 -14.153 524 2HB LYS 124 2HB LYS 124 0.619 3.721 -14.829 525 1HG LYS 124 1HG LYS 124 -1.012 3.249 -16.812 526 2HG LYS 124 2HG LYS 124 -2.085 4.465 -16.119 527 1HD LYS 124 1HD LYS 124 -0.163 6.166 -16.296 528 2HD LYS 124 2HD LYS 124 0.809 4.929 -17.093 529 1HE LYS 124 1HE LYS 124 -0.948 4.762 -18.937 530 2HE LYS 124 2HE LYS 124 -1.912 6.004 -18.122 531 1HZ LYS 124 2HZ LYS 124 -0.051 7.555 -18.408 532 2HZ LYS 124 3HZ LYS 124 0.850 6.398 -19.169 533 3HZ LYS 124 1HZ LYS 124 -0.541 6.953 -19.866 534 H PHE 125 H PHE 125 -2.330 4.176 -12.489 535 HA PHE 125 HA PHE 125 -5.181 3.376 -13.274 536 1HB PHE 125 1HB PHE 125 -4.130 3.345 -10.360 537 2HB PHE 125 2HB PHE 125 -5.792 3.132 -10.839 538 HD1 PHE 125 HD1 PHE 125 -6.525 1.013 -12.045 539 HD2 PHE 125 HD2 PHE 125 -2.511 1.482 -10.560 540 HE1 PHE 125 HE1 PHE 125 -6.129 -1.404 -12.303 541 HE2 PHE 125 HE2 PHE 125 -2.144 -0.930 -10.805 542 HZ PHE 125 HZ PHE 125 -3.927 -2.360 -11.737 543 H ASN 126 H ASN 126 -6.231 5.235 -13.604 544 HA ASN 126 HA ASN 126 -5.394 7.882 -12.626 545 1HB ASN 126 1HB ASN 126 -8.089 6.985 -13.814 546 2HB ASN 126 2HB ASN 126 -7.761 8.630 -13.326 547 1HD2 ASN 126 1HD2 ASN 126 -6.252 7.462 -16.910 548 2HD2 ASN 126 2HD2 ASN 126 -7.208 6.328 -15.829 549 H SER 127 H SER 127 -7.893 5.650 -11.338 550 HA SER 127 HA SER 127 -8.255 7.447 -8.899 551 1HB SER 127 1HB SER 127 -9.799 4.924 -9.766 552 2HB SER 127 2HB SER 127 -10.099 5.831 -8.283 553 HG SER 127 HG SER 127 -11.434 6.474 -9.976 554 H LEU 128 H LEU 128 -7.509 6.928 -6.975 555 HA LEU 128 HA LEU 128 -5.632 4.705 -6.469 556 1HB LEU 128 1HB LEU 128 -5.665 7.053 -5.322 557 2HB LEU 128 2HB LEU 128 -6.987 6.452 -4.349 558 HG LEU 128 HG LEU 128 -5.385 4.559 -3.547 559 1HD1 LEU 128 3HD2 LEU 128 -3.229 6.324 -4.903 560 2HD1 LEU 128 1HD2 LEU 128 -2.912 4.974 -3.787 561 3HD1 LEU 128 2HD2 LEU 128 -3.650 4.657 -5.365 562 1HD2 LEU 128 2HD1 LEU 128 -5.913 6.548 -2.134 563 2HD2 LEU 128 3HD1 LEU 128 -4.222 6.061 -1.909 564 3HD2 LEU 128 1HD1 LEU 128 -4.616 7.478 -2.913 565 H ASN 129 H ASN 129 -9.117 5.055 -5.898 566 HA ASN 129 HA ASN 129 -9.573 2.636 -4.310 567 1HB ASN 129 1HB ASN 129 -11.233 4.489 -4.612 568 2HB ASN 129 2HB ASN 129 -11.449 4.045 -6.290 569 1HD2 ASN 129 1HD2 ASN 129 -13.348 1.813 -3.388 570 2HD2 ASN 129 2HD2 ASN 129 -12.045 3.031 -2.957 571 H GLU 130 H GLU 130 -9.396 3.131 -7.879 572 HA GLU 130 HA GLU 130 -9.834 0.295 -8.611 573 1HB GLU 130 1HB GLU 130 -8.529 2.563 -10.228 574 2HB GLU 130 2HB GLU 130 -8.837 0.965 -10.867 575 1HG GLU 130 1HG GLU 130 -11.031 2.895 -9.882 576 2HG GLU 130 2HG GLU 130 -10.551 2.649 -11.550 577 H LEU 131 H LEU 131 -6.793 2.144 -8.006 578 HA LEU 131 HA LEU 131 -4.956 -0.034 -8.595 579 1HB LEU 131 1HB LEU 131 -4.348 2.370 -8.233 580 2HB LEU 131 2HB LEU 131 -4.600 2.226 -6.516 581 HG LEU 131 HG LEU 131 -2.563 0.429 -7.979 582 1HD1 LEU 131 2HD1 LEU 131 -2.047 2.800 -8.596 583 2HD1 LEU 131 3HD1 LEU 131 -1.983 3.254 -6.878 584 3HD1 LEU 131 1HD1 LEU 131 -0.786 2.119 -7.557 585 1HD2 LEU 131 3HD2 LEU 131 -2.652 1.436 -5.047 586 2HD2 LEU 131 1HD2 LEU 131 -2.932 -0.235 -5.588 587 3HD2 LEU 131 2HD2 LEU 131 -1.332 0.479 -5.760 588 H VAL 132 H VAL 132 -6.383 0.792 -5.405 589 HA VAL 132 HA VAL 132 -5.165 -1.462 -4.041 590 HB VAL 132 HB VAL 132 -5.854 0.651 -2.947 591 1HG1 VAL 132 2HG2 VAL 132 -8.174 0.956 -3.853 592 2HG1 VAL 132 3HG2 VAL 132 -8.751 -0.412 -2.873 593 3HG1 VAL 132 1HG2 VAL 132 -8.117 1.048 -2.090 594 1HG2 VAL 132 1HG1 VAL 132 -5.233 -1.325 -1.599 595 2HG2 VAL 132 2HG1 VAL 132 -6.450 -0.324 -0.785 596 3HG2 VAL 132 3HG1 VAL 132 -6.933 -1.860 -1.552 597 H ASP 133 H ASP 133 -8.562 -1.193 -5.227 598 HA ASP 133 HA ASP 133 -9.339 -3.913 -4.499 599 1HB ASP 133 1HB ASP 133 -10.893 -1.949 -5.053 600 2HB ASP 133 2HB ASP 133 -10.498 -2.134 -6.752 601 H TYR 134 H TYR 134 -7.741 -2.763 -7.519 602 HA TYR 134 HA TYR 134 -7.823 -5.349 -8.943 603 1HB TYR 134 1HB TYR 134 -7.293 -3.264 -10.135 604 2HB TYR 134 2HB TYR 134 -5.900 -2.955 -9.136 605 HD1 TYR 134 HD1 TYR 134 -7.186 -5.036 -11.955 606 HD2 TYR 134 HD2 TYR 134 -3.772 -4.193 -9.479 607 HE1 TYR 134 HE1 TYR 134 -5.728 -6.219 -13.541 608 HE2 TYR 134 HE2 TYR 134 -2.325 -5.365 -11.071 609 HH TYR 134 HH TYR 134 -2.213 -6.481 -12.987 610 H HIS 135 H HIS 135 -5.287 -3.872 -6.852 611 HA HIS 135 HA HIS 135 -3.747 -6.390 -6.755 612 1HB HIS 135 1HB HIS 135 -3.316 -3.695 -5.353 613 2HB HIS 135 2HB HIS 135 -2.322 -5.089 -5.015 614 HD2 HIS 135 HD2 HIS 135 -1.923 -2.167 -7.013 615 HE1 HIS 135 HE1 HIS 135 -0.084 -5.038 -9.357 616 HE2 HIS 135 HE2 HIS 135 -0.330 -2.492 -9.097 617 H ARG 136 H ARG 136 -6.464 -5.655 -4.908 618 HA ARG 136 HA ARG 136 -5.852 -7.296 -2.538 619 1HB ARG 136 1HB ARG 136 -8.476 -6.575 -3.963 620 2HB ARG 136 2HB ARG 136 -8.467 -7.745 -2.656 621 1HG ARG 136 1HG ARG 136 -7.385 -6.081 -1.109 622 2HG ARG 136 2HG ARG 136 -7.388 -4.879 -2.386 623 1HD ARG 136 1HD ARG 136 -9.935 -5.047 -2.506 624 2HD ARG 136 2HD ARG 136 -9.918 -6.203 -1.184 625 HE ARG 136 HE ARG 136 -9.523 -3.240 -1.009 626 1HH1 ARG 136 2HH2 ARG 136 -8.974 -6.287 0.747 627 2HH1 ARG 136 1HH2 ARG 136 -8.992 -5.388 2.347 628 1HH2 ARG 136 1HH1 ARG 136 -9.531 -2.324 0.879 629 2HH2 ARG 136 2HH1 ARG 136 -9.285 -3.300 2.413 630 H SER 137 H SER 137 -6.481 -8.236 -5.843 631 HA SER 137 HA SER 137 -6.242 -11.169 -5.129 632 1HB SER 137 1HB SER 137 -7.302 -9.942 -7.746 633 2HB SER 137 2HB SER 137 -7.017 -11.664 -7.474 634 HG SER 137 HG SER 137 -8.738 -10.006 -5.949 635 H THR 138 H THR 138 -4.914 -8.602 -7.290 636 HA THR 138 HA THR 138 -2.751 -10.425 -8.311 637 HB THR 138 HB THR 138 -3.307 -7.454 -8.940 638 HG1 THR 138 HG1 THR 138 -4.992 -8.878 -9.450 639 1HG2 THR 138 3HG2 THR 138 -1.590 -9.521 -10.474 640 2HG2 THR 138 1HG2 THR 138 -2.118 -7.959 -11.136 641 3HG2 THR 138 2HG2 THR 138 -1.024 -7.993 -9.747 642 H SER 139 H SER 139 -0.498 -9.930 -8.195 643 HA SER 139 HA SER 139 0.392 -9.098 -5.492 644 1HB SER 139 1HB SER 139 1.358 -11.071 -6.657 645 2HB SER 139 2HB SER 139 2.067 -10.026 -7.899 646 HG SER 139 HG SER 139 3.192 -8.958 -6.212 647 H VAL 140 H VAL 140 1.138 -7.151 -4.855 648 HA VAL 140 HA VAL 140 1.663 -4.875 -6.658 649 HB VAL 140 HB VAL 140 2.454 -3.703 -4.618 650 1HG1 VAL 140 3HG2 VAL 140 0.113 -3.560 -5.377 651 2HG1 VAL 140 1HG2 VAL 140 -0.308 -4.959 -4.359 652 3HG1 VAL 140 2HG2 VAL 140 0.210 -3.434 -3.622 653 1HG2 VAL 140 2HG1 VAL 140 3.285 -5.573 -3.154 654 2HG2 VAL 140 3HG1 VAL 140 2.106 -4.541 -2.334 655 3HG2 VAL 140 1HG1 VAL 140 1.605 -6.132 -2.944 656 H SER 141 H SER 141 3.792 -7.216 -5.002 657 HA SER 141 HA SER 141 6.303 -5.847 -5.989 658 1HB SER 141 1HB SER 141 6.191 -6.910 -3.693 659 2HB SER 141 2HB SER 141 5.955 -8.487 -4.425 660 HG SER 141 HG SER 141 8.149 -6.733 -4.852 661 H ARG 142 H ARG 142 7.485 -6.571 -7.680 662 HA ARG 142 HA ARG 142 6.259 -8.394 -9.676 663 1HB ARG 142 1HB ARG 142 7.557 -6.267 -10.208 664 2HB ARG 142 2HB ARG 142 9.047 -7.122 -9.828 665 1HG ARG 142 1HG ARG 142 8.532 -8.792 -11.667 666 2HG ARG 142 2HG ARG 142 6.990 -7.987 -11.972 667 1HD ARG 142 1HD ARG 142 8.220 -5.854 -12.581 668 2HD ARG 142 2HD ARG 142 9.766 -6.642 -12.303 669 HE ARG 142 HE ARG 142 7.890 -7.062 -14.640 670 1HH1 ARG 142 2HH2 ARG 142 10.806 -8.289 -13.011 671 2HH1 ARG 142 1HH2 ARG 142 11.314 -9.151 -14.549 672 1HH2 ARG 142 1HH1 ARG 142 8.567 -8.081 -16.326 673 2HH2 ARG 142 2HH1 ARG 142 10.131 -9.040 -16.297 674 H ASN 143 H ASN 143 9.256 -8.679 -7.687 675 HA ASN 143 HA ASN 143 9.689 -11.532 -8.440 676 1HB ASN 143 1HB ASN 143 11.561 -9.977 -7.835 677 2HB ASN 143 2HB ASN 143 10.976 -9.868 -6.190 678 1HD2 ASN 143 1HD2 ASN 143 12.686 -12.914 -5.292 679 2HD2 ASN 143 2HD2 ASN 143 11.692 -11.461 -4.776 680 H GLN 144 H GLN 144 8.687 -10.004 -5.307 681 HA GLN 144 HA GLN 144 7.902 -12.637 -4.149 682 1HB GLN 144 1HB GLN 144 7.470 -9.776 -3.070 683 2HB GLN 144 2HB GLN 144 7.096 -11.242 -2.185 684 1HG GLN 144 1HG GLN 144 9.509 -11.945 -2.214 685 2HG GLN 144 2HG GLN 144 9.932 -10.504 -3.125 686 1HE2 GLN 144 2HE2 GLN 144 9.351 -10.114 0.913 687 2HE2 GLN 144 1HE2 GLN 144 9.069 -11.699 0.033 688 H GLN 145 H GLN 145 5.843 -13.231 -3.414 689 HA GLN 145 HA GLN 145 3.451 -12.164 -4.990 690 1HB GLN 145 1HB GLN 145 3.933 -14.634 -5.012 691 2HB GLN 145 2HB GLN 145 3.664 -14.706 -3.274 692 1HG GLN 145 1HG GLN 145 1.275 -13.842 -3.667 693 2HG GLN 145 2HG GLN 145 1.583 -13.821 -5.394 694 1HE2 GLN 145 2HE2 GLN 145 1.122 -17.404 -5.696 695 2HE2 GLN 145 1HE2 GLN 145 1.704 -15.860 -6.497 696 H ILE 146 H ILE 146 2.751 -10.374 -3.950 697 HA ILE 146 HA ILE 146 2.184 -10.493 -0.928 698 HB ILE 146 HB ILE 146 2.886 -7.938 -2.413 699 1HG1 ILE 146 1HG1 ILE 146 4.917 -9.244 -2.409 700 2HG1 ILE 146 2HG1 ILE 146 5.036 -7.815 -1.409 701 1HG2 ILE 146 2HG2 ILE 146 1.438 -7.538 -0.424 702 2HG2 ILE 146 3HG2 ILE 146 2.530 -8.476 0.603 703 3HG2 ILE 146 1HG2 ILE 146 3.072 -6.937 -0.094 704 1HD1 ILE 146 1HD1 ILE 146 4.710 -10.691 -0.328 705 2HD1 ILE 146 2HD1 ILE 146 6.217 -9.745 -0.381 706 3HD1 ILE 146 3HD1 ILE 146 4.889 -9.221 0.672 707 H PHE 147 H PHE 147 0.188 -10.910 -0.931 708 HA PHE 147 HA PHE 147 -1.851 -9.543 -2.795 709 1HB PHE 147 1HB PHE 147 -2.259 -12.067 -1.104 710 2HB PHE 147 2HB PHE 147 -3.490 -11.287 -2.068 711 HD1 PHE 147 HD2 PHE 147 -1.245 -10.809 -4.543 712 HD2 PHE 147 HD1 PHE 147 -2.851 -14.129 -2.306 713 HE1 PHE 147 HE2 PHE 147 -0.850 -12.295 -6.442 714 HE2 PHE 147 HE1 PHE 147 -2.448 -15.595 -4.233 715 HZ PHE 147 HZ PHE 147 -1.456 -14.685 -6.304 716 H LEU 148 H LEU 148 -3.254 -8.189 -2.037 717 HA LEU 148 HA LEU 148 -2.830 -7.096 0.708 718 1HB LEU 148 1HB LEU 148 -4.220 -6.078 -1.823 719 2HB LEU 148 2HB LEU 148 -4.547 -5.316 -0.304 720 HG LEU 148 HG LEU 148 -2.165 -4.750 0.047 721 1HD1 LEU 148 3HD1 LEU 148 -1.643 -6.038 -2.716 722 2HD1 LEU 148 1HD1 LEU 148 -0.497 -4.989 -1.842 723 3HD1 LEU 148 2HD1 LEU 148 -0.950 -6.544 -1.155 724 1HD2 LEU 148 1HD2 LEU 148 -3.688 -3.144 -1.100 725 2HD2 LEU 148 2HD2 LEU 148 -2.052 -3.001 -1.761 726 3HD2 LEU 148 3HD2 LEU 148 -3.306 -3.857 -2.687 727 H ARG 149 H ARG 149 -3.995 -7.514 2.370 728 HA ARG 149 HA ARG 149 -6.969 -8.235 2.188 729 1HB ARG 149 1HB ARG 149 -4.869 -9.415 4.138 730 2HB ARG 149 2HB ARG 149 -6.586 -9.480 4.424 731 1HG ARG 149 1HG ARG 149 -6.125 -11.578 3.580 732 2HG ARG 149 2HG ARG 149 -6.942 -10.758 2.255 733 1HD ARG 149 1HD ARG 149 -4.717 -10.355 1.132 734 2HD ARG 149 2HD ARG 149 -3.888 -11.034 2.517 735 HE ARG 149 HE ARG 149 -4.435 -13.277 1.806 736 1HH1 ARG 149 2HH2 ARG 149 -6.088 -10.928 -0.294 737 2HH1 ARG 149 1HH2 ARG 149 -6.414 -12.245 -1.529 738 1HH2 ARG 149 1HH1 ARG 149 -4.859 -14.688 0.332 739 2HH2 ARG 149 2HH1 ARG 149 -5.764 -14.228 -1.196 740 H ASP 150 H ASP 150 -7.986 -7.844 4.263 741 HA ASP 150 HA ASP 150 -7.652 -4.896 4.830 742 1HB ASP 150 1HB ASP 150 -9.888 -6.032 4.190 743 2HB ASP 150 2HB ASP 150 -9.932 -6.751 5.789 744 H ILE 151 H ILE 151 -7.827 -3.960 6.897 745 HA ILE 151 HA ILE 151 -5.859 -5.008 8.783 746 HB ILE 151 HB ILE 151 -6.343 -2.950 10.169 747 1HG1 ILE 151 1HG1 ILE 151 -7.583 -1.034 9.116 748 2HG1 ILE 151 2HG1 ILE 151 -8.306 -2.118 7.944 749 1HG2 ILE 151 2HG2 ILE 151 -4.578 -3.043 8.411 750 2HG2 ILE 151 3HG2 ILE 151 -5.746 -2.414 7.223 751 3HG2 ILE 151 1HG2 ILE 151 -5.246 -1.415 8.610 752 1HD1 ILE 151 2HD1 ILE 151 -8.718 -2.327 11.009 753 2HD1 ILE 151 3HD1 ILE 151 -9.819 -1.502 9.878 754 3HD1 ILE 151 1HD1 ILE 151 -9.597 -3.257 9.762 755 H GLU 152 H GLU 152 -6.063 -5.004 11.097 756 HA GLU 152 HA GLU 152 -8.269 -6.927 11.958 757 1HB GLU 152 1HB GLU 152 -5.890 -7.593 12.302 758 2HB GLU 152 2HB GLU 152 -5.619 -6.202 13.342 759 1HG GLU 152 1HG GLU 152 -7.301 -7.087 14.998 760 2HG GLU 152 2HG GLU 152 -7.670 -8.432 13.923 761 HXT GLU 152 HO OH 153 -6.502 -4.356 13.481 No H/Q in entry = 761 Start of MODEL 23 1 1H GLY 58 1H GLY 58 -14.165 3.314 0.777 2 2H GLY 58 2H GLY 58 -14.812 1.941 0.170 3 1HA GLY 58 1HA GLY 58 -13.013 0.582 1.017 4 2HA GLY 58 2HA GLY 58 -12.446 1.860 -0.054 5 H SER 59 H SER 59 -12.627 0.788 3.257 6 HA SER 59 HA SER 59 -11.284 3.214 4.395 7 1HB SER 59 1HB SER 59 -11.553 2.151 6.584 8 2HB SER 59 2HB SER 59 -13.064 2.204 5.685 9 HG SER 59 HG SER 59 -12.694 0.018 5.093 10 H TRP 60 H TRP 60 -9.255 3.338 3.583 11 HA TRP 60 HA TRP 60 -7.146 1.565 4.733 12 1HB TRP 60 1HB TRP 60 -6.053 1.127 2.473 13 2HB TRP 60 2HB TRP 60 -7.396 0.151 2.967 14 HD1 TRP 60 HD1 TRP 60 -7.117 3.449 0.827 15 HE1 TRP 60 HE1 TRP 60 -8.590 3.276 -1.373 16 HE3 TRP 60 HE3 TRP 60 -9.123 -1.093 1.887 17 HZ2 TRP 60 HZ2 TRP 60 -10.413 1.293 -2.320 18 HZ3 TRP 60 HZ3 TRP 60 -10.798 -2.052 0.342 19 HH2 TRP 60 HH2 TRP 60 -11.413 -0.898 -1.736 20 H PHE 61 H PHE 61 -7.789 4.493 2.805 21 HA PHE 61 HA PHE 61 -5.000 5.484 3.191 22 1HB PHE 61 1HB PHE 61 -6.280 6.038 1.140 23 2HB PHE 61 2HB PHE 61 -7.491 6.891 2.063 24 HD1 PHE 61 HD1 PHE 61 -3.759 6.899 1.379 25 HD2 PHE 61 HD2 PHE 61 -7.191 9.274 2.392 26 HE1 PHE 61 HE1 PHE 61 -2.400 8.942 1.199 27 HE2 PHE 61 HE2 PHE 61 -5.830 11.312 2.178 28 HZ PHE 61 HZ PHE 61 -3.439 11.153 1.579 29 H PHE 62 H PHE 62 -4.301 6.613 4.834 30 HA PHE 62 HA PHE 62 -6.139 7.428 7.126 31 1HB PHE 62 1HB PHE 62 -3.136 7.004 7.022 32 2HB PHE 62 2HB PHE 62 -3.871 7.973 8.264 33 HD1 PHE 62 HD1 PHE 62 -4.778 4.569 6.713 34 HD2 PHE 62 HD2 PHE 62 -4.050 6.845 10.297 35 HE1 PHE 62 HE1 PHE 62 -5.309 2.608 8.078 36 HE2 PHE 62 HE2 PHE 62 -4.552 4.855 11.643 37 HZ PHE 62 HZ PHE 62 -5.191 2.736 10.543 38 H GLY 63 H GLY 63 -3.265 9.107 5.764 39 1HA GLY 63 1HA GLY 63 -4.673 11.433 4.739 40 2HA GLY 63 2HA GLY 63 -4.316 11.781 6.435 41 H LYS 64 H LYS 64 -2.239 12.276 6.980 42 HA LYS 64 HA LYS 64 0.075 11.635 5.123 43 1HB LYS 64 1HB LYS 64 -0.746 13.936 4.465 44 2HB LYS 64 2HB LYS 64 -0.443 14.515 6.099 45 1HG LYS 64 1HG LYS 64 2.016 13.972 5.817 46 2HG LYS 64 2HG LYS 64 1.699 13.356 4.192 47 1HD LYS 64 1HD LYS 64 0.847 15.658 3.515 48 2HD LYS 64 2HD LYS 64 1.198 16.251 5.141 49 1HE LYS 64 1HE LYS 64 3.662 15.665 4.810 50 2HE LYS 64 2HE LYS 64 3.298 15.110 3.167 51 1HZ LYS 64 3HZ LYS 64 2.855 17.879 4.178 52 2HZ LYS 64 1HZ LYS 64 4.083 17.395 3.184 53 3HZ LYS 64 2HZ LYS 64 2.522 17.363 2.644 54 H ILE 65 H ILE 65 0.366 10.064 6.707 55 HA ILE 65 HA ILE 65 1.325 11.023 9.447 56 HB ILE 65 HB ILE 65 0.971 8.830 10.368 57 1HG1 ILE 65 1HG1 ILE 65 -0.420 7.909 7.796 58 2HG1 ILE 65 2HG1 ILE 65 1.225 7.467 8.231 59 1HG2 ILE 65 2HG2 ILE 65 -0.818 10.574 10.530 60 2HG2 ILE 65 3HG2 ILE 65 -1.630 9.879 9.106 61 3HG2 ILE 65 1HG2 ILE 65 -1.473 8.931 10.604 62 1HD1 ILE 65 3HD1 ILE 65 0.432 6.381 10.361 63 2HD1 ILE 65 1HD1 ILE 65 -1.257 6.723 9.890 64 3HD1 ILE 65 2HD1 ILE 65 -0.254 5.643 8.897 65 HA PRO 66 HA PRO 66 5.480 9.852 8.146 66 1HB PRO 66 1HB PRO 66 6.804 9.470 10.558 67 2HB PRO 66 2HB PRO 66 6.223 11.041 9.987 68 1HG PRO 66 1HG PRO 66 4.847 9.149 11.956 69 2HG PRO 66 2HG PRO 66 5.135 10.895 12.144 70 1HD PRO 66 1HD PRO 66 2.713 9.887 11.252 71 2HD PRO 66 2HD PRO 66 3.328 11.452 10.646 72 H ARG 67 H ARG 67 7.162 8.192 8.271 73 HA ARG 67 HA ARG 67 6.106 5.574 7.618 74 1HB ARG 67 1HB ARG 67 8.294 6.744 6.809 75 2HB ARG 67 2HB ARG 67 9.063 6.152 8.267 76 1HG ARG 67 1HG ARG 67 8.437 3.764 7.575 77 2HG ARG 67 2HG ARG 67 7.666 4.428 6.133 78 1HD ARG 67 1HD ARG 67 9.878 5.353 5.352 79 2HD ARG 67 2HD ARG 67 10.680 4.695 6.773 80 HE ARG 67 HE ARG 67 9.614 3.149 4.388 81 1HH1 ARG 67 2HH2 ARG 67 11.007 2.868 7.649 82 2HH1 ARG 67 1HH2 ARG 67 11.447 1.117 7.323 83 1HH2 ARG 67 1HH1 ARG 67 10.162 1.150 4.132 84 2HH2 ARG 67 2HH1 ARG 67 11.001 0.214 5.469 85 H ALA 68 H ALA 68 7.577 6.664 10.603 86 HA ALA 68 HA ALA 68 7.776 4.007 11.949 87 1HB ALA 68 2HB ALA 68 9.262 5.866 12.665 88 2HB ALA 68 3HB ALA 68 7.859 6.827 13.198 89 3HB ALA 68 1HB ALA 68 8.268 5.303 14.021 90 H LYS 69 H LYS 69 5.321 6.641 12.044 91 HA LYS 69 HA LYS 69 3.487 5.230 13.888 92 1HB LYS 69 1HB LYS 69 3.462 7.739 13.434 93 2HB LYS 69 2HB LYS 69 2.857 7.424 11.823 94 1HG LYS 69 1HG LYS 69 1.016 8.129 13.215 95 2HG LYS 69 2HG LYS 69 0.748 6.463 12.763 96 1HD LYS 69 1HD LYS 69 0.082 6.715 15.054 97 2HD LYS 69 2HD LYS 69 1.510 5.691 15.046 98 1HE LYS 69 1HE LYS 69 2.942 7.682 15.740 99 2HE LYS 69 2HE LYS 69 1.515 8.728 15.693 100 1HZ LYS 69 3HZ LYS 69 0.522 7.343 17.443 101 2HZ LYS 69 1HZ LYS 69 1.856 6.369 17.483 102 3HZ LYS 69 2HZ LYS 69 1.977 7.954 17.933 103 H ALA 70 H ALA 70 3.877 5.089 10.369 104 HA ALA 70 HA ALA 70 1.455 3.412 9.862 105 1HB ALA 70 3HB ALA 70 3.954 3.859 8.127 106 2HB ALA 70 1HB ALA 70 2.509 2.942 7.629 107 3HB ALA 70 2HB ALA 70 2.373 4.671 7.995 108 H GLU 71 H GLU 71 4.962 2.586 10.118 109 HA GLU 71 HA GLU 71 4.701 -0.300 10.251 110 1HB GLU 71 1HB GLU 71 6.791 1.536 11.583 111 2HB GLU 71 2HB GLU 71 6.934 -0.214 11.517 112 1HG GLU 71 1HG GLU 71 7.042 -0.215 9.043 113 2HG GLU 71 2HG GLU 71 6.748 1.513 8.978 114 H GLU 72 H GLU 72 4.334 2.034 12.949 115 HA GLU 72 HA GLU 72 4.085 0.091 15.096 116 1HB GLU 72 1HB GLU 72 4.492 2.561 15.368 117 2HB GLU 72 2HB GLU 72 2.832 2.894 14.891 118 1HG GLU 72 1HG GLU 72 2.019 1.587 16.929 119 2HG GLU 72 2HG GLU 72 3.691 1.250 17.370 120 H MET 73 H MET 73 1.453 1.646 13.159 121 HA MET 73 HA MET 73 -0.746 0.085 14.257 122 1HB MET 73 1HB MET 73 -0.440 1.594 11.603 123 2HB MET 73 2HB MET 73 -1.853 0.606 11.892 124 1HG MET 73 1HG MET 73 -2.426 2.857 12.467 125 2HG MET 73 2HG MET 73 -2.450 1.898 13.946 126 1HE MET 73 3HE MET 73 -1.816 3.270 15.987 127 2HE MET 73 2HE MET 73 -0.435 2.130 15.898 128 3HE MET 73 1HE MET 73 -0.148 3.862 16.234 129 H LEU 74 H LEU 74 1.111 -0.673 11.229 130 HA LEU 74 HA LEU 74 -0.281 -3.239 10.826 131 1HB LEU 74 1HB LEU 74 2.446 -2.379 9.696 132 2HB LEU 74 2HB LEU 74 1.611 -3.848 9.286 133 HG LEU 74 HG LEU 74 1.118 -2.654 7.471 134 1HD1 LEU 74 3HD2 LEU 74 -1.091 -3.410 8.422 135 2HD1 LEU 74 1HD2 LEU 74 -1.323 -1.806 9.155 136 3HD1 LEU 74 2HD2 LEU 74 -1.250 -1.973 7.389 137 1HD2 LEU 74 2HD1 LEU 74 2.159 -0.492 8.230 138 2HD2 LEU 74 3HD1 LEU 74 0.722 -0.289 7.219 139 3HD2 LEU 74 1HD1 LEU 74 0.601 -0.043 8.975 140 H SER 75 H SER 75 2.663 -2.552 12.722 141 HA SER 75 HA SER 75 3.484 -5.291 13.238 142 1HB SER 75 1HB SER 75 4.836 -3.288 13.870 143 2HB SER 75 2HB SER 75 3.674 -2.871 15.136 144 HG SER 75 HG SER 75 5.155 -5.288 14.904 145 H LYS 76 H LYS 76 0.841 -3.438 14.746 146 HA LYS 76 HA LYS 76 0.061 -5.419 16.775 147 1HB LYS 76 1HB LYS 76 -1.919 -3.555 15.357 148 2HB LYS 76 2HB LYS 76 -2.089 -4.305 16.927 149 1HG LYS 76 1HG LYS 76 -0.225 -1.998 16.155 150 2HG LYS 76 2HG LYS 76 -1.692 -1.899 17.104 151 1HD LYS 76 1HD LYS 76 -0.629 -3.217 18.964 152 2HD LYS 76 2HD LYS 76 0.850 -3.398 18.012 153 1HE LYS 76 1HE LYS 76 1.151 -0.874 17.969 154 2HE LYS 76 2HE LYS 76 -0.323 -0.682 18.930 155 1HZ LYS 76 2HZ LYS 76 0.744 -1.976 20.708 156 2HZ LYS 76 3HZ LYS 76 2.121 -2.145 19.811 157 3HZ LYS 76 1HZ LYS 76 1.647 -0.647 20.323 158 H GLN 77 H GLN 77 -0.873 -5.055 13.345 159 HA GLN 77 HA GLN 77 -2.927 -7.143 13.353 160 1HB GLN 77 1HB GLN 77 -1.578 -5.518 11.146 161 2HB GLN 77 2HB GLN 77 -2.415 -6.981 10.703 162 1HG GLN 77 1HG GLN 77 -3.959 -5.215 10.422 163 2HG GLN 77 2HG GLN 77 -4.527 -6.257 11.701 164 1HE2 GLN 77 2HE2 GLN 77 -3.805 -2.311 12.543 165 2HE2 GLN 77 1HE2 GLN 77 -3.341 -3.074 10.939 166 H ARG 78 H ARG 78 -2.670 -9.079 13.424 167 HA ARG 78 HA ARG 78 -0.265 -10.743 12.983 168 1HB ARG 78 1HB ARG 78 -1.722 -12.629 13.526 169 2HB ARG 78 2HB ARG 78 -1.903 -11.352 14.682 170 1HG ARG 78 1HG ARG 78 -3.931 -11.886 12.397 171 2HG ARG 78 2HG ARG 78 -4.031 -12.640 13.967 172 1HD ARG 78 1HD ARG 78 -4.387 -9.655 13.350 173 2HD ARG 78 2HD ARG 78 -5.622 -10.812 13.787 174 HE ARG 78 HE ARG 78 -4.223 -11.047 16.083 175 1HH1 ARG 78 2HH2 ARG 78 -4.792 -8.010 14.318 176 2HH1 ARG 78 1HH2 ARG 78 -4.662 -7.067 15.887 177 1HH2 ARG 78 1HH1 ARG 78 -4.095 -9.871 17.794 178 2HH2 ARG 78 2HH1 ARG 78 -4.295 -8.048 17.714 179 H HIS 79 H HIS 79 -2.462 -9.622 10.598 180 HA HIS 79 HA HIS 79 -2.560 -12.113 9.009 181 1HB HIS 79 1HB HIS 79 -3.514 -9.330 8.119 182 2HB HIS 79 2HB HIS 79 -3.964 -10.864 7.429 183 HD2 HIS 79 HD2 HIS 79 -5.390 -12.614 9.250 184 HE1 HIS 79 HE1 HIS 79 -6.831 -9.521 11.615 185 HE2 HIS 79 HE2 HIS 79 -7.164 -12.018 11.132 186 H ASP 80 H ASP 80 -1.641 -12.621 7.133 187 HA ASP 80 HA ASP 80 0.764 -11.141 6.056 188 1HB ASP 80 1HB ASP 80 -0.627 -13.748 5.147 189 2HB ASP 80 2HB ASP 80 0.642 -12.982 4.219 190 H GLY 81 H GLY 81 0.528 -9.540 4.616 191 1HA GLY 81 1HA GLY 81 -0.498 -8.478 2.629 192 2HA GLY 81 2HA GLY 81 -2.030 -9.240 2.972 193 H ALA 82 H ALA 82 -1.045 -7.997 5.953 194 HA ALA 82 HA ALA 82 -3.337 -6.223 5.953 195 1HB ALA 82 3HB ALA 82 -2.564 -7.360 8.021 196 2HB ALA 82 1HB ALA 82 -1.074 -6.393 8.050 197 3HB ALA 82 2HB ALA 82 -2.655 -5.615 8.285 198 H PHE 83 H PHE 83 -3.469 -4.238 5.058 199 HA PHE 83 HA PHE 83 -0.955 -2.498 4.890 200 1HB PHE 83 1HB PHE 83 -1.253 -2.090 2.628 201 2HB PHE 83 2HB PHE 83 -1.441 -3.777 2.812 202 HD1 PHE 83 HD1 PHE 83 -3.766 -4.859 2.623 203 HD2 PHE 83 HD2 PHE 83 -3.210 -0.683 1.814 204 HE1 PHE 83 HE1 PHE 83 -6.065 -4.717 1.770 205 HE2 PHE 83 HE2 PHE 83 -5.491 -0.572 0.885 206 HZ PHE 83 HZ PHE 83 -6.944 -2.573 0.935 207 H LEU 84 H LEU 84 -1.042 -0.369 4.550 208 HA LEU 84 HA LEU 84 -3.608 1.134 4.539 209 1HB LEU 84 1HB LEU 84 -3.356 2.590 6.375 210 2HB LEU 84 2HB LEU 84 -3.267 0.962 6.963 211 HG LEU 84 HG LEU 84 -0.578 1.423 6.825 212 1HD1 LEU 84 2HD1 LEU 84 -0.722 3.766 5.895 213 2HD1 LEU 84 3HD1 LEU 84 -1.683 4.272 7.299 214 3HD1 LEU 84 1HD1 LEU 84 0.009 3.753 7.498 215 1HD2 LEU 84 3HD2 LEU 84 -1.820 0.783 8.904 216 2HD2 LEU 84 1HD2 LEU 84 -0.609 2.035 9.234 217 3HD2 LEU 84 2HD2 LEU 84 -2.330 2.473 9.140 218 H ILE 85 H ILE 85 -3.445 2.980 3.374 219 HA ILE 85 HA ILE 85 -0.759 3.565 2.054 220 HB ILE 85 HB ILE 85 -3.527 4.613 1.235 221 1HG1 ILE 85 1HG1 ILE 85 -2.867 3.221 -0.938 222 2HG1 ILE 85 2HG1 ILE 85 -1.761 2.359 0.103 223 1HG2 ILE 85 2HG2 ILE 85 -1.686 6.240 0.642 224 2HG2 ILE 85 3HG2 ILE 85 -0.793 4.942 -0.177 225 3HG2 ILE 85 1HG2 ILE 85 -2.379 5.484 -0.792 226 1HD1 ILE 85 2HD1 ILE 85 -4.833 2.575 0.463 227 2HD1 ILE 85 3HD1 ILE 85 -3.962 1.191 -0.236 228 3HD1 ILE 85 1HD1 ILE 85 -3.772 1.573 1.483 229 H ARG 86 H ARG 86 0.398 5.101 2.889 230 HA ARG 86 HA ARG 86 -0.788 7.513 4.376 231 1HB ARG 86 1HB ARG 86 1.461 7.908 5.345 232 2HB ARG 86 2HB ARG 86 0.716 6.426 5.891 233 1HG ARG 86 1HG ARG 86 2.183 5.032 4.571 234 2HG ARG 86 2HG ARG 86 2.819 6.360 3.634 235 1HD ARG 86 1HD ARG 86 3.216 6.311 6.684 236 2HD ARG 86 2HD ARG 86 4.211 5.295 5.668 237 HE ARG 86 HE ARG 86 4.284 8.311 5.840 238 1HH1 ARG 86 2HH2 ARG 86 5.523 5.466 4.103 239 2HH1 ARG 86 1HH2 ARG 86 6.971 6.437 3.531 240 1HH2 ARG 86 1HH1 ARG 86 5.962 9.310 5.136 241 2HH2 ARG 86 2HH1 ARG 86 7.200 8.465 4.077 242 H GLU 87 H GLU 87 -0.215 9.558 3.673 243 HA GLU 87 HA GLU 87 0.961 9.850 0.911 244 1HB GLU 87 1HB GLU 87 -0.964 11.268 1.614 245 2HB GLU 87 2HB GLU 87 0.042 12.064 2.821 246 1HG GLU 87 1HG GLU 87 1.567 12.908 0.964 247 2HG GLU 87 2HG GLU 87 0.560 12.099 -0.229 248 H SER 88 H SER 88 3.011 10.300 0.528 249 HA SER 88 HA SER 88 5.086 9.944 2.492 250 1HB SER 88 1HB SER 88 5.309 9.399 0.057 251 2HB SER 88 2HB SER 88 5.354 11.117 -0.348 252 HG SER 88 HG SER 88 7.403 10.195 -0.145 253 H GLU 89 H GLU 89 6.225 11.263 3.714 254 HA GLU 89 HA GLU 89 5.224 13.921 4.321 255 1HB GLU 89 1HB GLU 89 7.833 12.742 5.401 256 2HB GLU 89 2HB GLU 89 6.938 14.092 6.068 257 1HG GLU 89 1HG GLU 89 6.076 11.140 6.039 258 2HG GLU 89 2HG GLU 89 6.610 12.072 7.420 259 H SER 90 H SER 90 8.454 13.058 2.990 260 HA SER 90 HA SER 90 9.268 15.828 2.420 261 1HB SER 90 1HB SER 90 10.867 13.903 2.700 262 2HB SER 90 2HB SER 90 10.316 13.215 1.167 263 HG SER 90 HG SER 90 10.965 15.178 0.172 264 H ALA 91 H ALA 91 7.463 13.475 0.421 265 HA ALA 91 HA ALA 91 7.270 15.576 -1.831 266 1HB ALA 91 3HB ALA 91 7.190 12.515 -2.097 267 2HB ALA 91 1HB ALA 91 6.914 13.688 -3.406 268 3HB ALA 91 2HB ALA 91 8.501 13.603 -2.614 269 HA PRO 92 HA PRO 92 2.923 15.214 -0.123 270 1HB PRO 92 1HB PRO 92 2.621 17.862 -1.609 271 2HB PRO 92 2HB PRO 92 2.062 17.434 0.021 272 1HG PRO 92 1HG PRO 92 4.290 18.981 -0.315 273 2HG PRO 92 2HG PRO 92 4.270 17.730 0.946 274 1HD PRO 92 1HD PRO 92 5.578 17.565 -1.822 275 2HD PRO 92 2HD PRO 92 6.214 17.064 -0.226 276 H GLY 93 H GLY 93 3.799 15.800 -3.384 277 1HA GLY 93 1HA GLY 93 1.157 14.704 -4.515 278 2HA GLY 93 2HA GLY 93 2.470 15.352 -5.471 279 H ASP 94 H ASP 94 2.659 12.907 -2.874 280 HA ASP 94 HA ASP 94 2.969 10.621 -4.828 281 1HB ASP 94 1HB ASP 94 5.303 11.664 -4.580 282 2HB ASP 94 2HB ASP 94 5.250 11.349 -2.857 283 H PHE 95 H PHE 95 1.932 8.955 -3.974 284 HA PHE 95 HA PHE 95 1.389 8.734 -0.972 285 1HB PHE 95 1HB PHE 95 0.118 7.375 -3.420 286 2HB PHE 95 2HB PHE 95 -0.097 6.764 -1.808 287 HD1 PHE 95 HD2 PHE 95 -0.150 10.472 -1.714 288 HD2 PHE 95 HD1 PHE 95 -2.483 6.957 -2.575 289 HE1 PHE 95 HE2 PHE 95 -2.209 11.769 -1.489 290 HE2 PHE 95 HE1 PHE 95 -4.536 8.286 -2.343 291 HZ PHE 95 HZ PHE 95 -4.405 10.691 -1.813 292 H SER 96 H SER 96 1.493 6.504 -0.105 293 HA SER 96 HA SER 96 3.729 4.745 -1.149 294 1HB SER 96 1HB SER 96 3.952 6.148 1.598 295 2HB SER 96 2HB SER 96 4.939 4.775 1.087 296 HG SER 96 HG SER 96 5.628 6.019 -0.693 297 H LEU 97 H LEU 97 2.856 2.827 -1.063 298 HA LEU 97 HA LEU 97 0.620 2.021 0.790 299 1HB LEU 97 1HB LEU 97 0.599 1.368 -1.583 300 2HB LEU 97 2HB LEU 97 2.157 0.571 -1.439 301 HG LEU 97 HG LEU 97 1.047 -1.019 0.278 302 1HD1 LEU 97 1HD2 LEU 97 -1.571 0.113 -0.886 303 2HD1 LEU 97 2HD2 LEU 97 -1.420 -1.359 0.104 304 3HD1 LEU 97 3HD2 LEU 97 -1.026 0.218 0.811 305 1HD2 LEU 97 2HD1 LEU 97 1.637 -1.716 -2.056 306 2HD2 LEU 97 3HD1 LEU 97 0.146 -2.504 -1.512 307 3HD2 LEU 97 1HD1 LEU 97 0.060 -1.133 -2.648 308 H SER 98 H SER 98 1.129 1.516 2.739 309 HA SER 98 HA SER 98 3.786 0.235 3.631 310 1HB SER 98 1HB SER 98 1.535 1.251 5.408 311 2HB SER 98 2HB SER 98 3.193 0.899 5.871 312 HG SER 98 HG SER 98 3.843 2.595 4.482 313 H VAL 99 H VAL 99 3.360 -1.850 2.717 314 HA VAL 99 HA VAL 99 0.856 -3.348 3.667 315 HB VAL 99 HB VAL 99 0.672 -3.103 1.352 316 1HG1 VAL 99 2HG1 VAL 99 3.009 -2.768 0.565 317 2HG1 VAL 99 3HG1 VAL 99 3.389 -4.478 0.873 318 3HG1 VAL 99 1HG1 VAL 99 2.194 -4.035 -0.371 319 1HG2 VAL 99 3HG2 VAL 99 -0.024 -5.325 2.420 320 2HG2 VAL 99 1HG2 VAL 99 0.278 -5.412 0.676 321 3HG2 VAL 99 2HG2 VAL 99 1.478 -6.035 1.837 322 H LYS 100 H LYS 100 1.285 -4.632 5.150 323 HA LYS 100 HA LYS 100 3.980 -5.870 5.747 324 1HB LYS 100 1HB LYS 100 2.441 -5.031 7.555 325 2HB LYS 100 2HB LYS 100 1.267 -6.278 7.153 326 1HG LYS 100 1HG LYS 100 2.940 -8.056 7.823 327 2HG LYS 100 2HG LYS 100 4.151 -6.808 8.136 328 1HD LYS 100 1HD LYS 100 2.660 -5.805 9.915 329 2HD LYS 100 2HD LYS 100 1.430 -7.016 9.578 330 1HE LYS 100 1HE LYS 100 2.546 -7.745 11.561 331 2HE LYS 100 2HE LYS 100 3.081 -8.845 10.292 332 1HZ LYS 100 3HZ LYS 100 4.617 -6.509 11.346 333 2HZ LYS 100 1HZ LYS 100 4.925 -8.101 11.663 334 3HZ LYS 100 2HZ LYS 100 5.145 -7.505 10.137 335 H PHE 101 H PHE 101 4.505 -8.008 5.559 336 HA PHE 101 HA PHE 101 2.454 -10.018 4.782 337 1HB PHE 101 1HB PHE 101 3.404 -8.973 2.528 338 2HB PHE 101 2HB PHE 101 4.837 -9.907 2.833 339 HD1 PHE 101 HD2 PHE 101 4.644 -12.485 2.855 340 HD2 PHE 101 HD1 PHE 101 1.279 -9.996 1.869 341 HE1 PHE 101 HE2 PHE 101 3.450 -14.440 1.943 342 HE2 PHE 101 HE1 PHE 101 0.095 -11.959 0.975 343 HZ PHE 101 HZ PHE 101 1.176 -14.182 1.006 344 H GLY 102 H GLY 102 2.827 -11.149 6.539 345 1HA GLY 102 1HA GLY 102 3.910 -12.992 7.691 346 2HA GLY 102 2HA GLY 102 5.425 -12.676 6.875 347 H ASN 103 H ASN 103 6.891 -11.385 7.901 348 HA ASN 103 HA ASN 103 6.172 -10.175 10.617 349 1HB ASN 103 1HB ASN 103 8.285 -10.767 11.532 350 2HB ASN 103 2HB ASN 103 7.546 -12.197 10.885 351 1HD2 ASN 103 1HD2 ASN 103 10.329 -12.824 8.650 352 2HD2 ASN 103 2HD2 ASN 103 8.621 -13.278 9.144 353 H ASP 104 H ASP 104 7.250 -9.174 7.612 354 HA ASP 104 HA ASP 104 8.537 -6.637 8.804 355 1HB ASP 104 1HB ASP 104 9.100 -7.854 6.030 356 2HB ASP 104 2HB ASP 104 9.744 -6.340 6.638 357 H VAL 105 H VAL 105 7.888 -4.707 8.114 358 HA VAL 105 HA VAL 105 5.320 -4.488 6.495 359 HB VAL 105 HB VAL 105 6.651 -2.302 8.138 360 1HG1 VAL 105 2HG1 VAL 105 5.118 -1.487 6.233 361 2HG1 VAL 105 3HG1 VAL 105 3.787 -2.424 6.923 362 3HG1 VAL 105 1HG1 VAL 105 4.493 -1.063 7.833 363 1HG2 VAL 105 3HG2 VAL 105 5.810 -4.057 9.707 364 2HG2 VAL 105 1HG2 VAL 105 4.805 -2.606 9.810 365 3HG2 VAL 105 2HG2 VAL 105 4.216 -4.034 8.920 366 H GLN 106 H GLN 106 5.737 -4.368 4.361 367 HA GLN 106 HA GLN 106 8.339 -3.281 3.318 368 1HB GLN 106 1HB GLN 106 7.685 -5.613 2.906 369 2HB GLN 106 2HB GLN 106 6.135 -5.120 2.237 370 1HG GLN 106 1HG GLN 106 7.512 -5.696 0.458 371 2HG GLN 106 2HG GLN 106 7.233 -3.955 0.389 372 1HE2 GLN 106 2HE2 GLN 106 10.776 -3.295 0.310 373 2HE2 GLN 106 1HE2 GLN 106 9.051 -2.710 0.084 374 H HIS 107 H HIS 107 8.257 -1.191 2.835 375 HA HIS 107 HA HIS 107 5.717 0.228 2.081 376 1HB HIS 107 1HB HIS 107 8.542 1.105 2.939 377 2HB HIS 107 2HB HIS 107 7.446 2.218 2.206 378 HD2 HIS 107 HD2 HIS 107 7.129 -0.351 5.200 379 HE1 HIS 107 HE1 HIS 107 5.102 3.072 6.297 380 HE2 HIS 107 HE2 HIS 107 5.830 0.800 7.191 381 H PHE 108 H PHE 108 5.257 0.048 -0.020 382 HA PHE 108 HA PHE 108 7.424 0.297 -2.180 383 1HB PHE 108 1HB PHE 108 4.505 -0.543 -2.594 384 2HB PHE 108 2HB PHE 108 5.778 -0.484 -3.794 385 HD1 PHE 108 HD1 PHE 108 7.905 -2.025 -3.447 386 HD2 PHE 108 HD2 PHE 108 4.088 -2.670 -1.574 387 HE1 PHE 108 HE1 PHE 108 8.400 -4.429 -3.241 388 HE2 PHE 108 HE2 PHE 108 4.598 -5.069 -1.381 389 HZ PHE 108 HZ PHE 108 6.751 -5.951 -2.210 390 H LYS 109 H LYS 109 7.517 2.118 -3.309 391 HA LYS 109 HA LYS 109 5.862 4.449 -2.530 392 1HB LYS 109 1HB LYS 109 7.304 5.833 -3.924 393 2HB LYS 109 2HB LYS 109 8.164 4.854 -2.760 394 1HG LYS 109 1HG LYS 109 8.844 3.246 -4.615 395 2HG LYS 109 2HG LYS 109 8.022 4.273 -5.789 396 1HD LYS 109 1HD LYS 109 9.550 6.198 -5.212 397 2HD LYS 109 2HD LYS 109 10.306 5.231 -3.956 398 1HE LYS 109 1HE LYS 109 11.810 5.193 -5.823 399 2HE LYS 109 2HE LYS 109 11.133 3.573 -5.697 400 1HZ LYS 109 2HZ LYS 109 10.253 5.669 -7.633 401 2HZ LYS 109 3HZ LYS 109 11.180 4.349 -7.985 402 3HZ LYS 109 1HZ LYS 109 9.605 4.153 -7.529 403 H VAL 110 H VAL 110 3.987 4.899 -3.310 404 HA VAL 110 HA VAL 110 2.987 3.944 -6.000 405 HB VAL 110 HB VAL 110 1.521 5.535 -3.822 406 1HG1 VAL 110 2HG2 VAL 110 0.464 5.936 -6.050 407 2HG1 VAL 110 3HG2 VAL 110 0.364 4.187 -6.346 408 3HG1 VAL 110 1HG2 VAL 110 -0.590 4.939 -5.038 409 1HG2 VAL 110 2HG1 VAL 110 2.060 3.178 -3.062 410 2HG2 VAL 110 3HG1 VAL 110 0.322 3.466 -3.237 411 3HG2 VAL 110 1HG1 VAL 110 1.196 2.542 -4.480 412 H LEU 111 H LEU 111 3.665 5.098 -7.672 413 HA LEU 111 HA LEU 111 4.499 7.967 -7.414 414 1HB LEU 111 1HB LEU 111 4.603 6.121 -9.861 415 2HB LEU 111 2HB LEU 111 5.398 7.674 -9.708 416 HG LEU 111 HG LEU 111 6.032 5.190 -8.005 417 1HD1 LEU 111 2HD1 LEU 111 6.651 4.830 -10.384 418 2HD1 LEU 111 3HD1 LEU 111 7.582 6.348 -10.412 419 3HD1 LEU 111 1HD1 LEU 111 8.109 4.987 -9.389 420 1HD2 LEU 111 2HD2 LEU 111 7.541 7.892 -8.163 421 2HD2 LEU 111 3HD2 LEU 111 6.658 7.252 -6.754 422 3HD2 LEU 111 1HD2 LEU 111 8.124 6.440 -7.314 423 H ARG 112 H ARG 112 3.454 9.676 -8.250 424 HA ARG 112 HA ARG 112 0.730 9.219 -9.615 425 1HB ARG 112 1HB ARG 112 1.616 11.517 -7.765 426 2HB ARG 112 2HB ARG 112 0.074 11.445 -8.599 427 1HG ARG 112 1HG ARG 112 -0.625 9.430 -7.352 428 2HG ARG 112 2HG ARG 112 0.960 9.264 -6.619 429 1HD ARG 112 1HD ARG 112 -0.345 10.199 -4.901 430 2HD ARG 112 2HD ARG 112 0.673 11.518 -5.469 431 HE ARG 112 HE ARG 112 -2.017 11.470 -6.787 432 1HH1 ARG 112 2HH2 ARG 112 -0.292 12.597 -3.889 433 2HH1 ARG 112 1HH2 ARG 112 -1.645 13.785 -3.533 434 1HH2 ARG 112 1HH1 ARG 112 -3.493 12.853 -6.283 435 2HH2 ARG 112 2HH1 ARG 112 -3.333 13.918 -4.797 436 H ASP 113 H ASP 113 0.741 9.854 -11.676 437 HA ASP 113 HA ASP 113 2.987 11.476 -12.789 438 1HB ASP 113 1HB ASP 113 2.157 11.041 -15.052 439 2HB ASP 113 2HB ASP 113 2.598 9.643 -14.125 440 H GLY 114 H GLY 114 -0.570 11.995 -13.274 441 1HA GLY 114 1HA GLY 114 -0.012 14.920 -13.884 442 2HA GLY 114 2HA GLY 114 -1.534 14.087 -14.100 443 H ALA 115 H ALA 115 -3.050 14.393 -12.572 444 HA ALA 115 HA ALA 115 -2.485 15.977 -10.065 445 1HB ALA 115 2HB ALA 115 -4.493 16.584 -11.357 446 2HB ALA 115 3HB ALA 115 -5.172 14.949 -11.159 447 3HB ALA 115 1HB ALA 115 -4.947 16.003 -9.742 448 H GLY 116 H GLY 116 -4.312 12.902 -10.570 449 1HA GLY 116 1HA GLY 116 -2.525 11.497 -8.575 450 2HA GLY 116 2HA GLY 116 -4.211 11.618 -8.080 451 H LYS 117 H LYS 117 -2.209 10.708 -10.887 452 HA LYS 117 HA LYS 117 -4.061 8.335 -11.498 453 1HB LYS 117 1HB LYS 117 -2.068 9.840 -13.264 454 2HB LYS 117 2HB LYS 117 -2.433 8.162 -13.583 455 1HG LYS 117 1HG LYS 117 -3.831 9.487 -15.001 456 2HG LYS 117 2HG LYS 117 -4.820 8.589 -13.873 457 1HD LYS 117 1HD LYS 117 -5.795 10.785 -14.149 458 2HD LYS 117 2HD LYS 117 -5.224 10.636 -12.508 459 1HE LYS 117 1HE LYS 117 -4.684 12.873 -13.246 460 2HE LYS 117 2HE LYS 117 -3.154 12.020 -13.102 461 1HZ LYS 117 1HZ LYS 117 -4.628 12.493 -15.654 462 2HZ LYS 117 2HZ LYS 117 -3.275 13.296 -15.151 463 3HZ LYS 117 3HZ LYS 117 -3.188 11.692 -15.534 464 H TYR 118 H TYR 118 -3.473 6.905 -10.068 465 HA TYR 118 HA TYR 118 -0.760 6.764 -8.900 466 1HB TYR 118 1HB TYR 118 -3.110 4.837 -8.329 467 2HB TYR 118 2HB TYR 118 -1.705 5.087 -7.347 468 HD1 TYR 118 HD1 TYR 118 -1.403 7.414 -6.157 469 HD2 TYR 118 HD2 TYR 118 -5.058 6.255 -8.106 470 HE1 TYR 118 HE1 TYR 118 -2.603 9.215 -5.003 471 HE2 TYR 118 HE2 TYR 118 -6.252 8.043 -6.921 472 HH TYR 118 HH TYR 118 -4.539 10.235 -4.685 473 H PHE 119 H PHE 119 0.800 5.771 -9.983 474 HA PHE 119 HA PHE 119 0.319 3.054 -11.317 475 1HB PHE 119 1HB PHE 119 1.846 3.387 -12.996 476 2HB PHE 119 2HB PHE 119 0.737 4.717 -13.011 477 HD1 PHE 119 HD1 PHE 119 1.552 7.045 -12.132 478 HD2 PHE 119 HD2 PHE 119 4.240 3.771 -12.874 479 HE1 PHE 119 HE1 PHE 119 3.447 8.613 -12.252 480 HE2 PHE 119 HE2 PHE 119 6.112 5.363 -13.047 481 HZ PHE 119 HZ PHE 119 5.719 7.783 -12.746 482 H LEU 120 H LEU 120 1.087 1.592 -10.074 483 HA LEU 120 HA LEU 120 3.562 2.007 -8.301 484 1HB LEU 120 1HB LEU 120 1.389 1.680 -7.092 485 2HB LEU 120 2HB LEU 120 1.133 0.174 -7.958 486 HG LEU 120 HG LEU 120 3.133 -0.847 -6.824 487 1HD1 LEU 120 3HD1 LEU 120 3.235 1.791 -5.224 488 2HD1 LEU 120 1HD1 LEU 120 4.081 0.304 -4.794 489 3HD1 LEU 120 2HD1 LEU 120 4.505 1.145 -6.293 490 1HD2 LEU 120 2HD2 LEU 120 0.948 0.262 -4.944 491 2HD2 LEU 120 3HD2 LEU 120 0.883 -1.246 -5.889 492 3HD2 LEU 120 1HD2 LEU 120 2.047 -1.082 -4.565 493 H TRP 121 H TRP 121 1.889 -0.390 -10.336 494 HA TRP 121 HA TRP 121 4.207 -2.337 -10.113 495 1HB TRP 121 1HB TRP 121 2.021 -3.109 -9.476 496 2HB TRP 121 2HB TRP 121 1.266 -2.556 -10.954 497 HD1 TRP 121 HD1 TRP 121 4.183 -5.130 -10.103 498 HE1 TRP 121 HE1 TRP 121 3.804 -7.370 -11.441 499 HE3 TRP 121 HE3 TRP 121 -0.009 -3.614 -12.602 500 HZ2 TRP 121 HZ2 TRP 121 1.849 -8.200 -13.357 501 HZ3 TRP 121 HZ3 TRP 121 -1.083 -5.172 -14.184 502 HH2 TRP 121 HH2 TRP 121 -0.169 -7.428 -14.560 503 H VAL 122 H VAL 122 2.083 -1.614 -12.924 504 HA VAL 122 HA VAL 122 4.416 -0.686 -14.537 505 HB VAL 122 HB VAL 122 4.583 -3.141 -14.719 506 1HG1 VAL 122 2HG1 VAL 122 2.192 -3.861 -14.790 507 2HG1 VAL 122 3HG1 VAL 122 2.075 -3.252 -16.457 508 3HG1 VAL 122 1HG1 VAL 122 3.192 -4.575 -16.066 509 1HG2 VAL 122 3HG2 VAL 122 5.571 -1.649 -16.457 510 2HG2 VAL 122 1HG2 VAL 122 5.081 -3.209 -17.145 511 3HG2 VAL 122 2HG2 VAL 122 4.078 -1.762 -17.420 512 H VAL 123 H VAL 123 1.081 -1.815 -15.161 513 HA VAL 123 HA VAL 123 0.467 0.490 -16.871 514 HB VAL 123 HB VAL 123 -1.847 -0.405 -16.869 515 1HG1 VAL 123 2HG1 VAL 123 -0.199 -1.197 -18.550 516 2HG1 VAL 123 3HG1 VAL 123 0.193 -2.590 -17.515 517 3HG1 VAL 123 1HG1 VAL 123 -1.441 -2.413 -18.192 518 1HG2 VAL 123 2HG2 VAL 123 -2.100 -1.398 -14.617 519 2HG2 VAL 123 3HG2 VAL 123 -2.501 -2.572 -15.882 520 3HG2 VAL 123 1HG2 VAL 123 -0.943 -2.687 -15.027 521 H LYS 124 H LYS 124 -1.193 2.019 -16.588 522 HA LYS 124 HA LYS 124 -1.015 3.448 -13.977 523 1HB LYS 124 1HB LYS 124 -2.795 4.235 -16.374 524 2HB LYS 124 2HB LYS 124 -2.309 5.259 -15.042 525 1HG LYS 124 1HG LYS 124 -0.511 4.208 -17.306 526 2HG LYS 124 2HG LYS 124 -1.178 5.822 -17.135 527 1HD LYS 124 1HD LYS 124 0.181 6.093 -14.961 528 2HD LYS 124 2HD LYS 124 0.938 4.532 -15.314 529 1HE LYS 124 1HE LYS 124 1.795 5.441 -17.526 530 2HE LYS 124 2HE LYS 124 1.039 7.003 -17.178 531 1HZ LYS 124 1HZ LYS 124 2.466 7.192 -15.210 532 2HZ LYS 124 2HZ LYS 124 3.174 5.734 -15.533 533 3HZ LYS 124 3HZ LYS 124 3.373 6.999 -16.577 534 H PHE 125 H PHE 125 -2.532 3.634 -12.453 535 HA PHE 125 HA PHE 125 -5.344 2.420 -12.833 536 1HB PHE 125 1HB PHE 125 -3.727 2.270 -10.224 537 2HB PHE 125 2HB PHE 125 -5.359 1.729 -10.468 538 HD1 PHE 125 HD2 PHE 125 -5.826 -0.422 -11.695 539 HD2 PHE 125 HD1 PHE 125 -1.790 0.935 -11.068 540 HE1 PHE 125 HE2 PHE 125 -4.976 -2.675 -12.199 541 HE2 PHE 125 HE1 PHE 125 -0.961 -1.327 -11.557 542 HZ PHE 125 HZ PHE 125 -2.547 -3.134 -12.126 543 H ASN 126 H ASN 126 -6.363 4.340 -13.161 544 HA ASN 126 HA ASN 126 -5.563 6.841 -12.034 545 1HB ASN 126 1HB ASN 126 -7.475 7.922 -12.968 546 2HB ASN 126 2HB ASN 126 -6.730 6.838 -14.101 547 1HD2 ASN 126 1HD2 ASN 126 -9.790 5.004 -14.614 548 2HD2 ASN 126 2HD2 ASN 126 -8.002 5.182 -14.987 549 H SER 127 H SER 127 -8.111 4.753 -10.708 550 HA SER 127 HA SER 127 -8.440 6.633 -8.325 551 1HB SER 127 1HB SER 127 -9.980 4.055 -9.046 552 2HB SER 127 2HB SER 127 -10.284 5.066 -7.635 553 HG SER 127 HG SER 127 -10.407 5.910 -10.338 554 H LEU 128 H LEU 128 -8.076 5.938 -6.245 555 HA LEU 128 HA LEU 128 -5.916 3.995 -5.734 556 1HB LEU 128 1HB LEU 128 -6.492 6.135 -4.330 557 2HB LEU 128 2HB LEU 128 -7.754 5.177 -3.588 558 HG LEU 128 HG LEU 128 -5.905 3.489 -2.871 559 1HD1 LEU 128 1HD2 LEU 128 -4.032 5.748 -3.866 560 2HD1 LEU 128 2HD2 LEU 128 -3.520 4.400 -2.822 561 3HD1 LEU 128 3HD2 LEU 128 -4.081 4.077 -4.466 562 1HD2 LEU 128 2HD1 LEU 128 -6.868 5.142 -1.273 563 2HD2 LEU 128 3HD1 LEU 128 -5.143 4.889 -0.952 564 3HD2 LEU 128 1HD1 LEU 128 -5.685 6.369 -1.780 565 H ASN 129 H ASN 129 -9.454 3.737 -5.522 566 HA ASN 129 HA ASN 129 -9.538 1.000 -4.407 567 1HB ASN 129 1HB ASN 129 -11.470 2.635 -4.406 568 2HB ASN 129 2HB ASN 129 -11.631 2.458 -6.139 569 1HD2 ASN 129 1HD2 ASN 129 -13.377 -0.716 -5.777 570 2HD2 ASN 129 2HD2 ASN 129 -12.497 0.418 -6.921 571 H GLU 130 H GLU 130 -9.194 2.198 -7.785 572 HA GLU 130 HA GLU 130 -9.316 -0.444 -9.099 573 1HB GLU 130 1HB GLU 130 -7.912 2.159 -9.952 574 2HB GLU 130 2HB GLU 130 -7.876 0.703 -10.924 575 1HG GLU 130 1HG GLU 130 -10.304 0.684 -11.234 576 2HG GLU 130 2HG GLU 130 -10.531 1.998 -10.085 577 H LEU 131 H LEU 131 -6.473 1.439 -7.902 578 HA LEU 131 HA LEU 131 -4.511 -0.647 -8.427 579 1HB LEU 131 1HB LEU 131 -3.925 1.752 -8.049 580 2HB LEU 131 2HB LEU 131 -4.483 1.664 -6.394 581 HG LEU 131 HG LEU 131 -2.642 0.083 -5.809 582 1HD1 LEU 131 3HD2 LEU 131 -2.297 -0.976 -8.129 583 2HD1 LEU 131 1HD2 LEU 131 -1.471 0.520 -8.633 584 3HD1 LEU 131 2HD2 LEU 131 -0.822 -0.484 -7.310 585 1HD2 LEU 131 2HD1 LEU 131 -2.323 2.554 -5.532 586 2HD2 LEU 131 3HD1 LEU 131 -0.792 1.739 -5.897 587 3HD2 LEU 131 1HD1 LEU 131 -1.630 2.660 -7.170 588 H VAL 132 H VAL 132 -6.212 0.047 -5.343 589 HA VAL 132 HA VAL 132 -5.045 -2.182 -3.842 590 HB VAL 132 HB VAL 132 -7.577 -0.511 -3.374 591 1HG1 VAL 132 1HG1 VAL 132 -6.520 -2.771 -1.567 592 2HG1 VAL 132 2HG1 VAL 132 -7.632 -1.488 -1.020 593 3HG1 VAL 132 3HG1 VAL 132 -8.139 -2.612 -2.279 594 1HG2 VAL 132 2HG2 VAL 132 -5.378 0.668 -3.028 595 2HG2 VAL 132 3HG2 VAL 132 -6.257 0.470 -1.501 596 3HG2 VAL 132 1HG2 VAL 132 -4.875 -0.595 -1.876 597 H ASP 133 H ASP 133 -8.348 -1.984 -5.284 598 HA ASP 133 HA ASP 133 -8.992 -4.683 -4.698 599 1HB ASP 133 1HB ASP 133 -10.621 -2.808 -5.311 600 2HB ASP 133 2HB ASP 133 -10.233 -3.056 -7.005 601 H TYR 134 H TYR 134 -7.245 -3.526 -7.605 602 HA TYR 134 HA TYR 134 -7.276 -6.093 -9.066 603 1HB TYR 134 1HB TYR 134 -6.704 -3.959 -10.186 604 2HB TYR 134 2HB TYR 134 -5.310 -3.724 -9.161 605 HD1 TYR 134 HD1 TYR 134 -6.728 -5.927 -11.870 606 HD2 TYR 134 HD2 TYR 134 -3.196 -4.862 -9.658 607 HE1 TYR 134 HE1 TYR 134 -5.358 -7.292 -13.384 608 HE2 TYR 134 HE2 TYR 134 -1.839 -6.235 -11.168 609 HH TYR 134 HH TYR 134 -3.332 -8.037 -13.868 610 H HIS 135 H HIS 135 -4.808 -4.655 -6.842 611 HA HIS 135 HA HIS 135 -3.330 -7.209 -6.720 612 1HB HIS 135 1HB HIS 135 -2.813 -4.629 -5.147 613 2HB HIS 135 2HB HIS 135 -1.821 -6.068 -5.021 614 HD2 HIS 135 HD2 HIS 135 -1.405 -2.941 -6.589 615 HE1 HIS 135 HE1 HIS 135 0.206 -5.490 -9.444 616 HE2 HIS 135 HE2 HIS 135 0.098 -3.010 -8.767 617 H ARG 136 H ARG 136 -6.092 -6.476 -4.984 618 HA ARG 136 HA ARG 136 -5.760 -7.929 -2.522 619 1HB ARG 136 1HB ARG 136 -8.045 -7.218 -4.322 620 2HB ARG 136 2HB ARG 136 -8.289 -8.801 -3.685 621 1HG ARG 136 1HG ARG 136 -9.417 -7.251 -2.311 622 2HG ARG 136 2HG ARG 136 -8.145 -7.990 -1.352 623 1HD ARG 136 1HD ARG 136 -6.784 -5.937 -1.385 624 2HD ARG 136 2HD ARG 136 -7.717 -5.263 -2.706 625 HE ARG 136 HE ARG 136 -9.205 -4.299 -1.188 626 1HH1 ARG 136 2HH2 ARG 136 -7.709 -7.041 0.498 627 2HH1 ARG 136 1HH2 ARG 136 -8.492 -6.512 2.071 628 1HH2 ARG 136 1HH1 ARG 136 -10.037 -3.792 0.649 629 2HH2 ARG 136 2HH1 ARG 136 -9.719 -4.801 2.149 630 H SER 137 H SER 137 -5.917 -9.275 -5.770 631 HA SER 137 HA SER 137 -5.380 -12.059 -4.714 632 1HB SER 137 1HB SER 137 -6.783 -11.371 -7.366 633 2HB SER 137 2HB SER 137 -6.249 -12.986 -6.890 634 HG SER 137 HG SER 137 -8.064 -11.352 -5.453 635 H THR 138 H THR 138 -4.381 -9.570 -7.082 636 HA THR 138 HA THR 138 -2.130 -11.314 -8.118 637 HB THR 138 HB THR 138 -2.912 -8.414 -8.860 638 HG1 THR 138 HG1 THR 138 -3.801 -9.426 -10.660 639 1HG2 THR 138 3HG2 THR 138 -1.054 -10.396 -10.338 640 2HG2 THR 138 1HG2 THR 138 -1.655 -8.862 -11.006 641 3HG2 THR 138 2HG2 THR 138 -0.572 -8.841 -9.606 642 H SER 139 H SER 139 0.077 -10.845 -7.805 643 HA SER 139 HA SER 139 0.716 -9.477 -5.240 644 1HB SER 139 1HB SER 139 2.912 -10.315 -5.341 645 2HB SER 139 2HB SER 139 1.813 -11.620 -5.771 646 HG SER 139 HG SER 139 3.877 -10.722 -7.011 647 H VAL 140 H VAL 140 1.825 -7.698 -4.862 648 HA VAL 140 HA VAL 140 2.192 -5.572 -6.911 649 HB VAL 140 HB VAL 140 3.263 -5.605 -4.030 650 1HG1 VAL 140 3HG1 VAL 140 2.936 -3.247 -6.007 651 2HG1 VAL 140 1HG1 VAL 140 3.356 -3.086 -4.283 652 3HG1 VAL 140 2HG1 VAL 140 4.471 -3.898 -5.386 653 1HG2 VAL 140 3HG2 VAL 140 0.751 -5.724 -4.012 654 2HG2 VAL 140 1HG2 VAL 140 1.332 -4.162 -3.418 655 3HG2 VAL 140 2HG2 VAL 140 0.666 -4.292 -5.063 656 H SER 141 H SER 141 4.459 -7.719 -5.105 657 HA SER 141 HA SER 141 6.841 -6.754 -6.725 658 1HB SER 141 1HB SER 141 7.079 -7.028 -4.249 659 2HB SER 141 2HB SER 141 6.690 -8.743 -4.363 660 HG SER 141 HG SER 141 8.840 -7.397 -5.641 661 H ARG 142 H ARG 142 7.610 -7.888 -8.397 662 HA ARG 142 HA ARG 142 6.346 -10.522 -9.262 663 1HB ARG 142 1HB ARG 142 8.334 -8.666 -10.686 664 2HB ARG 142 2HB ARG 142 7.753 -10.166 -11.362 665 1HG ARG 142 1HG ARG 142 5.880 -7.806 -10.667 666 2HG ARG 142 2HG ARG 142 6.692 -8.030 -12.194 667 1HD ARG 142 1HD ARG 142 4.650 -8.913 -12.726 668 2HD ARG 142 2HD ARG 142 5.541 -10.388 -12.365 669 HE ARG 142 HE ARG 142 4.190 -9.530 -9.913 670 1HH1 ARG 142 2HH2 ARG 142 3.316 -10.742 -13.142 671 2HH1 ARG 142 1HH2 ARG 142 1.703 -11.335 -12.499 672 1HH2 ARG 142 1HH1 ARG 142 2.318 -10.249 -9.296 673 2HH2 ARG 142 2HH1 ARG 142 1.182 -11.075 -10.477 674 H ASN 143 H ASN 143 7.317 -11.451 -7.287 675 HA ASN 143 HA ASN 143 9.383 -13.325 -7.789 676 1HB ASN 143 1HB ASN 143 11.290 -12.715 -6.309 677 2HB ASN 143 2HB ASN 143 11.208 -11.859 -7.811 678 1HD2 ASN 143 1HD2 ASN 143 11.374 -9.631 -4.437 679 2HD2 ASN 143 2HD2 ASN 143 11.441 -11.465 -4.432 680 H GLN 144 H GLN 144 8.613 -11.334 -4.892 681 HA GLN 144 HA GLN 144 7.594 -13.842 -3.467 682 1HB GLN 144 1HB GLN 144 8.173 -11.022 -2.358 683 2HB GLN 144 2HB GLN 144 7.480 -12.326 -1.421 684 1HG GLN 144 1HG GLN 144 10.290 -12.364 -2.682 685 2HG GLN 144 2HG GLN 144 9.927 -11.996 -1.014 686 1HE2 GLN 144 2HE2 GLN 144 9.550 -15.484 -0.091 687 2HE2 GLN 144 1HE2 GLN 144 9.233 -13.740 0.383 688 H GLN 145 H GLN 145 5.491 -14.074 -3.001 689 HA GLN 145 HA GLN 145 3.492 -12.428 -4.407 690 1HB GLN 145 1HB GLN 145 1.757 -13.883 -3.550 691 2HB GLN 145 2HB GLN 145 3.044 -14.742 -4.362 692 1HG GLN 145 1HG GLN 145 3.959 -15.544 -2.152 693 2HG GLN 145 2HG GLN 145 2.752 -14.612 -1.287 694 1HE2 GLN 145 2HE2 GLN 145 1.578 -18.176 -2.956 695 2HE2 GLN 145 1HE2 GLN 145 3.208 -17.429 -3.347 696 H ILE 146 H ILE 146 2.739 -10.555 -3.726 697 HA ILE 146 HA ILE 146 2.227 -10.113 -0.724 698 HB ILE 146 HB ILE 146 2.795 -7.776 -2.554 699 1HG1 ILE 146 1HG1 ILE 146 4.867 -9.055 -2.566 700 2HG1 ILE 146 2HG1 ILE 146 5.014 -7.510 -1.763 701 1HG2 ILE 146 2HG2 ILE 146 1.486 -7.244 -0.512 702 2HG2 ILE 146 3HG2 ILE 146 2.679 -8.044 0.522 703 3HG2 ILE 146 1HG2 ILE 146 3.114 -6.561 -0.352 704 1HD1 ILE 146 2HD1 ILE 146 4.856 -10.222 -0.287 705 2HD1 ILE 146 3HD1 ILE 146 6.334 -9.286 -0.606 706 3HD1 ILE 146 1HD1 ILE 146 5.092 -8.631 0.485 707 H PHE 147 H PHE 147 0.312 -10.802 -0.795 708 HA PHE 147 HA PHE 147 -1.834 -9.747 -2.734 709 1HB PHE 147 1HB PHE 147 -2.043 -12.108 -0.788 710 2HB PHE 147 2HB PHE 147 -3.296 -11.574 -1.881 711 HD1 PHE 147 HD1 PHE 147 -0.845 -11.195 -4.245 712 HD2 PHE 147 HD2 PHE 147 -2.495 -14.333 -1.793 713 HE1 PHE 147 HE1 PHE 147 -0.178 -12.863 -5.908 714 HE2 PHE 147 HE2 PHE 147 -1.821 -15.980 -3.483 715 HZ PHE 147 HZ PHE 147 -0.651 -15.256 -5.532 716 H LEU 148 H LEU 148 -2.999 -8.126 -2.055 717 HA LEU 148 HA LEU 148 -2.684 -6.977 0.603 718 1HB LEU 148 1HB LEU 148 -4.254 -6.176 -1.899 719 2HB LEU 148 2HB LEU 148 -4.628 -5.383 -0.403 720 HG LEU 148 HG LEU 148 -2.310 -4.602 -0.086 721 1HD1 LEU 148 1HD2 LEU 148 -1.686 -5.885 -2.822 722 2HD1 LEU 148 2HD2 LEU 148 -0.638 -4.717 -1.978 723 3HD1 LEU 148 3HD2 LEU 148 -0.947 -6.304 -1.263 724 1HD2 LEU 148 2HD1 LEU 148 -3.987 -3.169 -1.262 725 2HD2 LEU 148 3HD1 LEU 148 -2.359 -2.878 -1.900 726 3HD2 LEU 148 1HD1 LEU 148 -3.516 -3.862 -2.833 727 H ARG 149 H ARG 149 -3.774 -7.177 2.378 728 HA ARG 149 HA ARG 149 -6.631 -8.272 2.455 729 1HB ARG 149 1HB ARG 149 -4.402 -9.017 4.450 730 2HB ARG 149 2HB ARG 149 -6.067 -9.554 4.510 731 1HG ARG 149 1HG ARG 149 -3.963 -10.303 2.404 732 2HG ARG 149 2HG ARG 149 -4.536 -11.322 3.709 733 1HD ARG 149 1HD ARG 149 -6.755 -11.608 2.670 734 2HD ARG 149 2HD ARG 149 -6.433 -10.354 1.486 735 HE ARG 149 HE ARG 149 -5.071 -11.808 0.169 736 1HH1 ARG 149 2HH2 ARG 149 -5.864 -13.445 3.225 737 2HH1 ARG 149 1HH2 ARG 149 -5.234 -15.031 2.551 738 1HH2 ARG 149 1HH1 ARG 149 -4.383 -13.657 -0.491 739 2HH2 ARG 149 2HH1 ARG 149 -4.451 -15.140 0.588 740 H ASP 150 H ASP 150 -7.923 -7.321 3.973 741 HA ASP 150 HA ASP 150 -7.192 -4.594 4.729 742 1HB ASP 150 1HB ASP 150 -9.455 -4.292 5.555 743 2HB ASP 150 2HB ASP 150 -9.446 -5.059 3.992 744 H ILE 151 H ILE 151 -7.018 -3.575 6.644 745 HA ILE 151 HA ILE 151 -5.652 -5.011 8.820 746 HB ILE 151 HB ILE 151 -5.618 -2.780 10.022 747 1HG1 ILE 151 1HG1 ILE 151 -6.789 -1.535 7.467 748 2HG1 ILE 151 2HG1 ILE 151 -7.715 -1.789 8.936 749 1HG2 ILE 151 2HG2 ILE 151 -3.724 -3.552 8.668 750 2HG2 ILE 151 3HG2 ILE 151 -4.441 -2.880 7.192 751 3HG2 ILE 151 1HG2 ILE 151 -3.886 -1.800 8.495 752 1HD1 ILE 151 3HD1 ILE 151 -6.127 -0.286 10.229 753 2HD1 ILE 151 1HD1 ILE 151 -5.244 0.047 8.714 754 3HD1 ILE 151 2HD1 ILE 151 -6.942 0.539 8.879 755 H GLU 152 H GLU 152 -6.167 -5.101 11.034 756 HA GLU 152 HA GLU 152 -9.015 -5.974 11.444 757 1HB GLU 152 1HB GLU 152 -7.040 -7.358 12.240 758 2HB GLU 152 2HB GLU 152 -6.746 -6.171 13.501 759 1HG GLU 152 1HG GLU 152 -9.122 -6.565 14.379 760 2HG GLU 152 2HG GLU 152 -9.403 -7.724 13.088 761 HXT GLU 152 HO OH 153 -10.339 -4.584 11.917 No H/Q in entry = 761 Start of MODEL 24 1 1H GLY 58 1H GLY 58 -8.522 5.491 7.766 2 2H GLY 58 2H GLY 58 -9.654 5.967 6.687 3 1HA GLY 58 1HA GLY 58 -10.218 4.529 9.222 4 2HA GLY 58 2HA GLY 58 -11.445 5.037 8.065 5 H SER 59 H SER 59 -11.619 3.914 6.098 6 HA SER 59 HA SER 59 -10.808 1.072 6.201 7 1HB SER 59 1HB SER 59 -12.169 0.740 4.189 8 2HB SER 59 2HB SER 59 -13.044 1.636 5.426 9 HG SER 59 HG SER 59 -13.291 2.518 3.362 10 H TRP 60 H TRP 60 -9.054 0.226 5.416 11 HA TRP 60 HA TRP 60 -6.853 0.126 4.721 12 1HB TRP 60 1HB TRP 60 -6.613 -0.204 2.319 13 2HB TRP 60 2HB TRP 60 -7.904 -1.069 3.072 14 HD1 TRP 60 HD1 TRP 60 -10.327 -0.666 2.275 15 HE1 TRP 60 HE1 TRP 60 -11.510 0.494 0.175 16 HE3 TRP 60 HE3 TRP 60 -6.373 2.225 0.949 17 HZ2 TRP 60 HZ2 TRP 60 -10.596 2.475 -1.720 18 HZ3 TRP 60 HZ3 TRP 60 -6.631 3.865 -0.866 19 HH2 TRP 60 HH2 TRP 60 -8.712 3.993 -2.172 20 H PHE 61 H PHE 61 -7.542 3.160 5.043 21 HA PHE 61 HA PHE 61 -4.951 4.199 3.752 22 1HB PHE 61 1HB PHE 61 -6.984 4.678 2.319 23 2HB PHE 61 2HB PHE 61 -7.756 5.508 3.642 24 HD1 PHE 61 HD2 PHE 61 -6.904 7.774 4.384 25 HD2 PHE 61 HD1 PHE 61 -5.128 5.737 1.035 26 HE1 PHE 61 HE2 PHE 61 -5.773 9.849 3.710 27 HE2 PHE 61 HE1 PHE 61 -3.994 7.816 0.386 28 HZ PHE 61 HZ PHE 61 -4.309 9.879 1.730 29 H PHE 62 H PHE 62 -3.774 5.332 5.114 30 HA PHE 62 HA PHE 62 -5.017 6.999 7.311 31 1HB PHE 62 1HB PHE 62 -2.862 4.959 8.039 32 2HB PHE 62 2HB PHE 62 -3.302 6.315 9.039 33 HD1 PHE 62 HD1 PHE 62 -5.747 6.508 9.914 34 HD2 PHE 62 HD2 PHE 62 -4.239 2.905 8.110 35 HE1 PHE 62 HE1 PHE 62 -7.617 5.226 10.874 36 HE2 PHE 62 HE2 PHE 62 -6.111 1.648 9.064 37 HZ PHE 62 HZ PHE 62 -7.808 2.798 10.448 38 H GLY 63 H GLY 63 -4.489 8.752 6.147 39 1HA GLY 63 1HA GLY 63 -1.883 9.037 4.766 40 2HA GLY 63 2HA GLY 63 -3.249 10.120 4.674 41 H LYS 64 H LYS 64 -0.800 10.951 4.695 42 HA LYS 64 HA LYS 64 0.770 12.474 5.550 43 1HB LYS 64 1HB LYS 64 -1.567 13.568 7.182 44 2HB LYS 64 2HB LYS 64 -0.043 14.385 6.940 45 1HG LYS 64 1HG LYS 64 -2.075 13.707 4.742 46 2HG LYS 64 2HG LYS 64 -1.838 15.273 5.483 47 1HD LYS 64 1HD LYS 64 0.213 13.808 3.704 48 2HD LYS 64 2HD LYS 64 -0.864 15.106 3.213 49 1HE LYS 64 1HE LYS 64 0.292 16.682 4.862 50 2HE LYS 64 2HE LYS 64 1.422 15.382 5.276 51 1HZ LYS 64 2HZ LYS 64 2.110 15.316 2.933 52 2HZ LYS 64 3HZ LYS 64 1.060 16.533 2.550 53 3HZ LYS 64 1HZ LYS 64 2.329 16.825 3.567 54 H ILE 65 H ILE 65 1.324 10.188 6.587 55 HA ILE 65 HA ILE 65 2.397 10.864 9.355 56 HB ILE 65 HB ILE 65 2.093 8.577 10.132 57 1HG1 ILE 65 1HG1 ILE 65 0.440 7.966 7.623 58 2HG1 ILE 65 2HG1 ILE 65 2.073 7.383 7.917 59 1HG2 ILE 65 2HG2 ILE 65 0.393 10.365 10.633 60 2HG2 ILE 65 3HG2 ILE 65 -0.610 9.760 9.293 61 3HG2 ILE 65 1HG2 ILE 65 -0.273 8.724 10.700 62 1HD1 ILE 65 1HD1 ILE 65 1.300 6.182 10.009 63 2HD1 ILE 65 2HD1 ILE 65 -0.380 6.655 9.626 64 3HD1 ILE 65 3HD1 ILE 65 0.526 5.603 8.515 65 HA PRO 66 HA PRO 66 6.358 9.497 7.576 66 1HB PRO 66 1HB PRO 66 7.866 8.994 9.841 67 2HB PRO 66 2HB PRO 66 7.308 10.610 9.389 68 1HG PRO 66 1HG PRO 66 6.025 8.693 11.403 69 2HG PRO 66 2HG PRO 66 6.438 10.409 11.643 70 1HD PRO 66 1HD PRO 66 3.885 9.591 10.936 71 2HD PRO 66 2HD PRO 66 4.539 11.145 10.363 72 H ARG 67 H ARG 67 8.001 7.664 7.769 73 HA ARG 67 HA ARG 67 6.723 5.102 7.172 74 1HB ARG 67 1HB ARG 67 8.990 6.065 6.290 75 2HB ARG 67 2HB ARG 67 9.724 5.484 7.769 76 1HG ARG 67 1HG ARG 67 8.886 3.118 7.185 77 2HG ARG 67 2HG ARG 67 8.195 3.791 5.708 78 1HD ARG 67 1HD ARG 67 10.510 4.496 4.949 79 2HD ARG 67 2HD ARG 67 11.211 3.762 6.385 80 HE ARG 67 HE ARG 67 9.957 2.324 4.009 81 1HH1 ARG 67 2HH2 ARG 67 11.436 1.927 7.219 82 2HH1 ARG 67 1HH2 ARG 67 11.660 0.133 6.904 83 1HH2 ARG 67 1HH1 ARG 67 10.259 0.279 3.764 84 2HH2 ARG 67 2HH1 ARG 67 11.038 -0.734 5.081 85 H ALA 68 H ALA 68 8.350 6.210 10.087 86 HA ALA 68 HA ALA 68 8.415 3.581 11.496 87 1HB ALA 68 2HB ALA 68 10.089 5.327 12.063 88 2HB ALA 68 3HB ALA 68 8.805 6.414 12.653 89 3HB ALA 68 1HB ALA 68 9.142 4.881 13.494 90 H LYS 69 H LYS 69 6.197 6.408 11.671 91 HA LYS 69 HA LYS 69 4.374 5.239 13.671 92 1HB LYS 69 1HB LYS 69 4.504 7.686 13.148 93 2HB LYS 69 2HB LYS 69 3.885 7.388 11.534 94 1HG LYS 69 1HG LYS 69 2.153 8.331 12.924 95 2HG LYS 69 2HG LYS 69 1.678 6.715 12.436 96 1HD LYS 69 1HD LYS 69 2.287 5.813 14.717 97 2HD LYS 69 2HD LYS 69 2.912 7.388 15.184 98 1HE LYS 69 1HE LYS 69 0.729 7.152 16.191 99 2HE LYS 69 2HE LYS 69 0.602 8.402 14.956 100 1HZ LYS 69 2HZ LYS 69 -0.278 5.567 14.639 101 2HZ LYS 69 3HZ LYS 69 -1.266 6.870 14.875 102 3HZ LYS 69 1HZ LYS 69 -0.406 6.729 13.472 103 H ALA 70 H ALA 70 4.538 4.902 10.148 104 HA ALA 70 HA ALA 70 1.950 3.445 9.817 105 1HB ALA 70 3HB ALA 70 4.415 3.625 7.974 106 2HB ALA 70 1HB ALA 70 2.867 2.867 7.536 107 3HB ALA 70 2HB ALA 70 2.928 4.605 7.899 108 H GLU 71 H GLU 71 5.354 2.370 10.079 109 HA GLU 71 HA GLU 71 4.829 -0.523 10.147 110 1HB GLU 71 1HB GLU 71 7.191 1.116 11.275 111 2HB GLU 71 2HB GLU 71 7.162 -0.640 11.209 112 1HG GLU 71 1HG GLU 71 7.051 -0.639 8.734 113 2HG GLU 71 2HG GLU 71 6.926 1.106 8.678 114 H GLU 72 H GLU 72 5.036 1.872 12.814 115 HA GLU 72 HA GLU 72 4.740 0.024 15.033 116 1HB GLU 72 1HB GLU 72 5.585 2.333 15.190 117 2HB GLU 72 2HB GLU 72 4.026 3.012 14.784 118 1HG GLU 72 1HG GLU 72 4.494 1.261 17.294 119 2HG GLU 72 2HG GLU 72 4.854 2.978 17.264 120 H MET 73 H MET 73 2.178 1.783 13.212 121 HA MET 73 HA MET 73 -0.126 0.650 14.637 122 1HB MET 73 1HB MET 73 0.132 1.793 11.790 123 2HB MET 73 2HB MET 73 -1.395 1.246 12.449 124 1HG MET 73 1HG MET 73 0.258 3.488 13.772 125 2HG MET 73 2HG MET 73 -1.042 3.732 12.605 126 1HE MET 73 2HE MET 73 -0.184 2.384 16.266 127 2HE MET 73 1HE MET 73 -0.494 4.144 16.182 128 3HE MET 73 3HE MET 73 -1.626 3.076 17.063 129 H LEU 74 H LEU 74 1.414 -0.459 11.577 130 HA LEU 74 HA LEU 74 -0.371 -2.819 11.355 131 1HB LEU 74 1HB LEU 74 2.221 -2.185 9.843 132 2HB LEU 74 2HB LEU 74 1.100 -3.473 9.438 133 HG LEU 74 HG LEU 74 0.412 -0.485 9.313 134 1HD1 LEU 74 3HD2 LEU 74 2.094 -1.102 7.608 135 2HD1 LEU 74 1HD2 LEU 74 1.095 -2.473 7.054 136 3HD1 LEU 74 2HD2 LEU 74 0.530 -0.800 6.837 137 1HD2 LEU 74 1HD1 LEU 74 -1.259 -2.937 8.438 138 2HD2 LEU 74 2HD1 LEU 74 -1.670 -1.746 9.692 139 3HD2 LEU 74 3HD1 LEU 74 -1.628 -1.251 7.995 140 H SER 75 H SER 75 2.763 -2.491 12.940 141 HA SER 75 HA SER 75 3.604 -5.265 12.873 142 1HB SER 75 1HB SER 75 5.079 -4.742 14.787 143 2HB SER 75 2HB SER 75 5.173 -3.526 13.524 144 HG SER 75 HG SER 75 3.625 -3.359 15.903 145 H LYS 76 H LYS 76 1.321 -3.750 15.137 146 HA LYS 76 HA LYS 76 0.959 -6.081 16.919 147 1HB LYS 76 1HB LYS 76 -1.002 -3.808 16.235 148 2HB LYS 76 2HB LYS 76 -1.249 -4.988 17.512 149 1HG LYS 76 1HG LYS 76 0.817 -4.200 18.700 150 2HG LYS 76 2HG LYS 76 1.093 -2.983 17.464 151 1HD LYS 76 1HD LYS 76 -1.385 -3.151 19.291 152 2HD LYS 76 2HD LYS 76 -0.011 -2.102 19.561 153 1HE LYS 76 1HE LYS 76 -1.930 -1.892 17.137 154 2HE LYS 76 2HE LYS 76 -2.011 -0.915 18.596 155 1HZ LYS 76 3HZ LYS 76 0.190 -0.017 18.082 156 2HZ LYS 76 1HZ LYS 76 0.290 -0.932 16.710 157 3HZ LYS 76 2HZ LYS 76 -0.859 0.249 16.833 158 H GLN 77 H GLN 77 -0.529 -5.257 13.787 159 HA GLN 77 HA GLN 77 -2.804 -7.009 13.986 160 1HB GLN 77 1HB GLN 77 -1.485 -5.780 11.487 161 2HB GLN 77 2HB GLN 77 -3.044 -6.595 11.491 162 1HG GLN 77 1HG GLN 77 -4.000 -4.949 13.071 163 2HG GLN 77 2HG GLN 77 -2.440 -4.168 13.270 164 1HE2 GLN 77 1HE2 GLN 77 -3.701 -1.851 10.873 165 2HE2 GLN 77 2HE2 GLN 77 -3.335 -2.212 12.642 166 H ARG 78 H ARG 78 -2.882 -9.003 13.878 167 HA ARG 78 HA ARG 78 -0.815 -10.920 13.269 168 1HB ARG 78 1HB ARG 78 -2.469 -12.656 13.693 169 2HB ARG 78 2HB ARG 78 -2.657 -11.350 14.834 170 1HG ARG 78 1HG ARG 78 -4.632 -10.471 13.354 171 2HG ARG 78 2HG ARG 78 -4.444 -11.911 12.382 172 1HD ARG 78 1HD ARG 78 -6.284 -12.244 13.869 173 2HD ARG 78 2HD ARG 78 -5.007 -13.369 14.346 174 HE ARG 78 HE ARG 78 -4.622 -11.062 16.023 175 1HH1 ARG 78 2HH2 ARG 78 -7.274 -13.370 15.491 176 2HH1 ARG 78 1HH2 ARG 78 -7.881 -13.086 17.199 177 1HH2 ARG 78 1HH1 ARG 78 -5.399 -10.816 17.942 178 2HH2 ARG 78 2HH1 ARG 78 -6.889 -11.735 18.492 179 H HIS 79 H HIS 79 -2.987 -9.576 10.876 180 HA HIS 79 HA HIS 79 -2.963 -12.029 9.172 181 1HB HIS 79 1HB HIS 79 -4.111 -9.286 8.415 182 2HB HIS 79 2HB HIS 79 -4.409 -10.811 7.619 183 HD2 HIS 79 HD2 HIS 79 -5.610 -12.811 9.441 184 HE1 HIS 79 HE1 HIS 79 -7.635 -9.903 11.616 185 HE2 HIS 79 HE2 HIS 79 -7.579 -12.440 11.187 186 H ASP 80 H ASP 80 -1.852 -12.442 7.406 187 HA ASP 80 HA ASP 80 0.340 -10.653 6.422 188 1HB ASP 80 1HB ASP 80 0.995 -12.373 4.862 189 2HB ASP 80 2HB ASP 80 0.890 -12.989 6.488 190 H GLY 81 H GLY 81 0.125 -9.205 4.847 191 1HA GLY 81 1HA GLY 81 -0.881 -8.368 2.701 192 2HA GLY 81 2HA GLY 81 -2.401 -9.135 3.100 193 H ALA 82 H ALA 82 -1.892 -7.984 6.059 194 HA ALA 82 HA ALA 82 -3.844 -5.905 5.759 195 1HB ALA 82 2HB ALA 82 -3.598 -7.198 7.839 196 2HB ALA 82 3HB ALA 82 -2.036 -6.413 8.198 197 3HB ALA 82 1HB ALA 82 -3.545 -5.465 8.160 198 H PHE 83 H PHE 83 -3.565 -4.023 4.831 199 HA PHE 83 HA PHE 83 -0.866 -2.590 4.989 200 1HB PHE 83 1HB PHE 83 -0.933 -2.079 2.711 201 2HB PHE 83 2HB PHE 83 -1.318 -3.759 2.828 202 HD1 PHE 83 HD1 PHE 83 -3.686 -4.568 2.329 203 HD2 PHE 83 HD2 PHE 83 -2.582 -0.448 1.822 204 HE1 PHE 83 HE1 PHE 83 -5.823 -4.132 1.198 205 HE2 PHE 83 HE2 PHE 83 -4.676 -0.042 0.621 206 HZ PHE 83 HZ PHE 83 -6.324 -1.878 0.334 207 H LEU 84 H LEU 84 -0.795 -0.375 4.679 208 HA LEU 84 HA LEU 84 -3.345 1.229 4.660 209 1HB LEU 84 1HB LEU 84 -2.827 2.805 6.334 210 2HB LEU 84 2HB LEU 84 -2.857 1.201 7.004 211 HG LEU 84 HG LEU 84 -0.171 1.345 6.798 212 1HD1 LEU 84 2HD1 LEU 84 -0.923 4.349 6.888 213 2HD1 LEU 84 3HD1 LEU 84 0.689 3.679 7.216 214 3HD1 LEU 84 1HD1 LEU 84 0.002 3.553 5.604 215 1HD2 LEU 84 2HD2 LEU 84 -1.459 1.141 8.951 216 2HD2 LEU 84 3HD2 LEU 84 -0.065 2.219 9.120 217 3HD2 LEU 84 1HD2 LEU 84 -1.705 2.902 8.982 218 H ILE 85 H ILE 85 -3.263 2.731 3.125 219 HA ILE 85 HA ILE 85 -0.646 3.380 1.730 220 HB ILE 85 HB ILE 85 -3.562 4.084 1.116 221 1HG1 ILE 85 1HG1 ILE 85 -1.483 2.493 -0.524 222 2HG1 ILE 85 2HG1 ILE 85 -2.575 1.732 0.620 223 1HG2 ILE 85 2HG2 ILE 85 -2.201 6.076 0.448 224 2HG2 ILE 85 3HG2 ILE 85 -1.076 5.040 -0.458 225 3HG2 ILE 85 1HG2 ILE 85 -2.776 5.225 -0.980 226 1HD1 ILE 85 1HD1 ILE 85 -4.567 2.502 -0.651 227 2HD1 ILE 85 2HD1 ILE 85 -3.503 3.249 -1.879 228 3HD1 ILE 85 3HD1 ILE 85 -3.472 1.490 -1.622 229 H ARG 86 H ARG 86 0.539 4.773 2.836 230 HA ARG 86 HA ARG 86 -0.630 7.140 4.335 231 1HB ARG 86 1HB ARG 86 1.512 7.548 5.298 232 2HB ARG 86 2HB ARG 86 1.102 5.866 5.532 233 1HG ARG 86 1HG ARG 86 2.684 5.253 3.606 234 2HG ARG 86 2HG ARG 86 3.089 6.964 3.443 235 1HD ARG 86 1HD ARG 86 3.878 6.899 5.942 236 2HD ARG 86 2HD ARG 86 3.637 5.162 5.866 237 HE ARG 86 HE ARG 86 5.555 4.885 4.448 238 1HH1 ARG 86 2HH2 ARG 86 4.920 8.358 4.878 239 2HH1 ARG 86 1HH2 ARG 86 6.560 8.756 4.158 240 1HH2 ARG 86 1HH1 ARG 86 7.387 5.453 3.647 241 2HH2 ARG 86 2HH1 ARG 86 7.861 7.220 3.508 242 H GLU 87 H GLU 87 -0.290 9.229 3.744 243 HA GLU 87 HA GLU 87 0.816 9.806 0.962 244 1HB GLU 87 1HB GLU 87 -1.412 10.813 1.677 245 2HB GLU 87 2HB GLU 87 -0.568 11.788 2.866 246 1HG GLU 87 1HG GLU 87 0.822 12.829 0.991 247 2HG GLU 87 2HG GLU 87 -0.019 11.829 -0.186 248 H SER 88 H SER 88 2.858 10.460 0.799 249 HA SER 88 HA SER 88 4.668 10.590 3.078 250 1HB SER 88 1HB SER 88 5.258 11.490 0.191 251 2HB SER 88 2HB SER 88 6.455 11.265 1.464 252 HG SER 88 HG SER 88 6.232 9.444 0.163 253 H GLU 89 H GLU 89 5.282 12.183 4.303 254 HA GLU 89 HA GLU 89 3.838 14.715 4.339 255 1HB GLU 89 1HB GLU 89 6.218 13.824 6.050 256 2HB GLU 89 2HB GLU 89 5.277 15.284 6.333 257 1HG GLU 89 1HG GLU 89 3.170 13.909 6.633 258 2HG GLU 89 2HG GLU 89 4.087 12.430 6.382 259 H SER 90 H SER 90 7.329 14.152 3.681 260 HA SER 90 HA SER 90 7.949 16.931 2.965 261 1HB SER 90 1HB SER 90 10.037 16.071 2.003 262 2HB SER 90 2HB SER 90 9.735 15.370 3.587 263 HG SER 90 HG SER 90 10.395 13.841 2.058 264 H ALA 91 H ALA 91 6.672 14.268 0.937 265 HA ALA 91 HA ALA 91 6.404 16.272 -1.390 266 1HB ALA 91 3HB ALA 91 7.096 13.287 -1.646 267 2HB ALA 91 1HB ALA 91 6.738 14.409 -2.982 268 3HB ALA 91 2HB ALA 91 8.174 14.667 -1.972 269 HA PRO 92 HA PRO 92 2.128 14.900 -0.103 270 1HB PRO 92 1HB PRO 92 1.389 17.390 -1.715 271 2HB PRO 92 2HB PRO 92 0.731 16.842 -0.159 272 1HG PRO 92 1HG PRO 92 2.573 18.848 -0.220 273 2HG PRO 92 2HG PRO 92 2.696 17.594 1.035 274 1HD PRO 92 1HD PRO 92 4.317 17.811 -1.559 275 2HD PRO 92 2HD PRO 92 4.866 17.411 0.096 276 H GLY 93 H GLY 93 3.088 15.585 -3.323 277 1HA GLY 93 1HA GLY 93 0.860 13.865 -4.565 278 2HA GLY 93 2HA GLY 93 2.041 14.781 -5.471 279 H ASP 94 H ASP 94 2.732 12.578 -2.769 280 HA ASP 94 HA ASP 94 3.649 10.329 -4.596 281 1HB ASP 94 1HB ASP 94 5.547 11.831 -2.660 282 2HB ASP 94 2HB ASP 94 5.820 10.159 -3.077 283 H PHE 95 H PHE 95 2.406 8.801 -3.800 284 HA PHE 95 HA PHE 95 1.840 8.548 -0.810 285 1HB PHE 95 1HB PHE 95 0.519 7.248 -3.281 286 2HB PHE 95 2HB PHE 95 0.168 6.770 -1.653 287 HD1 PHE 95 HD2 PHE 95 -0.140 9.558 -4.107 288 HD2 PHE 95 HD1 PHE 95 -1.234 8.201 -0.171 289 HE1 PHE 95 HE2 PHE 95 -1.827 11.341 -3.946 290 HE2 PHE 95 HE1 PHE 95 -2.929 9.983 -0.051 291 HZ PHE 95 HZ PHE 95 -3.232 11.547 -1.928 292 H SER 96 H SER 96 1.844 6.295 0.036 293 HA SER 96 HA SER 96 3.984 4.460 -1.140 294 1HB SER 96 1HB SER 96 4.164 5.550 1.745 295 2HB SER 96 2HB SER 96 5.118 4.212 1.100 296 HG SER 96 HG SER 96 5.903 5.637 -0.496 297 H LEU 97 H LEU 97 2.930 2.657 -1.311 298 HA LEU 97 HA LEU 97 0.623 1.749 0.390 299 1HB LEU 97 1HB LEU 97 0.681 1.399 -2.042 300 2HB LEU 97 2HB LEU 97 2.204 0.530 -1.951 301 HG LEU 97 HG LEU 97 0.935 -1.211 -0.496 302 1HD1 LEU 97 2HD1 LEU 97 -1.125 0.049 -0.014 303 2HD1 LEU 97 3HD1 LEU 97 -1.544 0.102 -1.749 304 3HD1 LEU 97 1HD1 LEU 97 -1.508 -1.450 -0.872 305 1HD2 LEU 97 3HD2 LEU 97 1.715 -1.678 -2.828 306 2HD2 LEU 97 1HD2 LEU 97 0.152 -2.459 -2.524 307 3HD2 LEU 97 2HD2 LEU 97 0.226 -0.964 -3.492 308 H SER 98 H SER 98 1.148 1.131 2.309 309 HA SER 98 HA SER 98 3.832 -0.158 3.093 310 1HB SER 98 1HB SER 98 1.759 1.029 4.969 311 2HB SER 98 2HB SER 98 3.440 0.684 5.311 312 HG SER 98 HG SER 98 3.056 2.861 4.894 313 H VAL 99 H VAL 99 3.424 -2.383 2.581 314 HA VAL 99 HA VAL 99 0.861 -3.654 3.666 315 HB VAL 99 HB VAL 99 2.748 -4.922 1.599 316 1HG1 VAL 99 1HG1 VAL 99 -0.179 -5.556 2.340 317 2HG1 VAL 99 2HG1 VAL 99 0.702 -6.302 1.004 318 3HG1 VAL 99 3HG1 VAL 99 1.235 -6.574 2.670 319 1HG2 VAL 99 1HG2 VAL 99 0.260 -3.233 0.929 320 2HG2 VAL 99 2HG2 VAL 99 1.958 -2.866 0.525 321 3HG2 VAL 99 3HG2 VAL 99 1.163 -4.258 -0.216 322 H LYS 100 H LYS 100 1.007 -4.827 5.390 323 HA LYS 100 HA LYS 100 3.618 -6.014 6.410 324 1HB LYS 100 1HB LYS 100 2.013 -4.741 7.897 325 2HB LYS 100 2HB LYS 100 0.871 -6.062 7.796 326 1HG LYS 100 1HG LYS 100 3.788 -6.419 8.783 327 2HG LYS 100 2HG LYS 100 2.507 -5.851 9.836 328 1HD LYS 100 1HD LYS 100 1.205 -7.993 9.479 329 2HD LYS 100 2HD LYS 100 2.467 -8.573 8.403 330 1HE LYS 100 1HE LYS 100 2.882 -9.637 10.492 331 2HE LYS 100 2HE LYS 100 4.164 -8.449 10.279 332 1HZ LYS 100 2HZ LYS 100 1.749 -8.089 11.992 333 2HZ LYS 100 3HZ LYS 100 3.279 -8.412 12.524 334 3HZ LYS 100 1HZ LYS 100 2.945 -6.965 11.801 335 H PHE 101 H PHE 101 4.041 -7.721 5.070 336 HA PHE 101 HA PHE 101 2.005 -10.021 4.971 337 1HB PHE 101 1HB PHE 101 2.423 -8.773 2.746 338 2HB PHE 101 2HB PHE 101 4.036 -9.428 2.747 339 HD1 PHE 101 HD2 PHE 101 4.268 -12.075 2.749 340 HD2 PHE 101 HD1 PHE 101 0.537 -10.071 1.989 341 HE1 PHE 101 HE2 PHE 101 3.335 -14.142 1.799 342 HE2 PHE 101 HE1 PHE 101 -0.383 -12.148 1.063 343 HZ PHE 101 HZ PHE 101 1.008 -14.188 0.966 344 H GLY 102 H GLY 102 2.743 -11.162 6.641 345 1HA GLY 102 1HA GLY 102 4.035 -12.841 7.729 346 2HA GLY 102 2HA GLY 102 5.026 -12.929 6.291 347 H ASN 103 H ASN 103 4.532 -10.992 9.232 348 HA ASN 103 HA ASN 103 5.951 -10.017 10.737 349 1HB ASN 103 1HB ASN 103 8.314 -11.587 9.566 350 2HB ASN 103 2HB ASN 103 8.344 -10.683 11.055 351 1HD2 ASN 103 1HD2 ASN 103 6.935 -14.451 11.274 352 2HD2 ASN 103 2HD2 ASN 103 7.660 -13.725 9.753 353 H ASP 104 H ASP 104 6.603 -9.280 7.524 354 HA ASP 104 HA ASP 104 8.352 -6.871 8.339 355 1HB ASP 104 1HB ASP 104 8.550 -8.442 5.696 356 2HB ASP 104 2HB ASP 104 9.441 -6.985 6.100 357 H VAL 105 H VAL 105 7.898 -4.965 7.512 358 HA VAL 105 HA VAL 105 5.265 -4.596 6.007 359 HB VAL 105 HB VAL 105 6.769 -2.511 7.635 360 1HG1 VAL 105 3HG2 VAL 105 5.221 -1.574 5.812 361 2HG1 VAL 105 1HG2 VAL 105 3.867 -2.464 6.518 362 3HG1 VAL 105 2HG2 VAL 105 4.657 -1.156 7.439 363 1HG2 VAL 105 2HG1 VAL 105 5.865 -4.239 9.221 364 2HG2 VAL 105 3HG1 VAL 105 4.991 -2.711 9.386 365 3HG2 VAL 105 1HG1 VAL 105 4.246 -4.063 8.506 366 H GLN 106 H GLN 106 5.601 -4.413 3.935 367 HA GLN 106 HA GLN 106 8.220 -3.382 2.769 368 1HB GLN 106 1HB GLN 106 5.955 -5.096 1.589 369 2HB GLN 106 2HB GLN 106 7.240 -4.408 0.604 370 1HG GLN 106 1HG GLN 106 9.004 -5.583 1.794 371 2HG GLN 106 2HG GLN 106 7.902 -6.142 3.040 372 1HE2 GLN 106 2HE2 GLN 106 8.014 -8.245 -0.498 373 2HE2 GLN 106 1HE2 GLN 106 8.889 -6.644 -0.302 374 H HIS 107 H HIS 107 8.254 -1.365 2.253 375 HA HIS 107 HA HIS 107 5.761 0.248 1.681 376 1HB HIS 107 1HB HIS 107 8.654 0.909 2.503 377 2HB HIS 107 2HB HIS 107 7.642 2.118 1.803 378 HD2 HIS 107 HD2 HIS 107 7.189 -0.487 4.745 379 HE1 HIS 107 HE1 HIS 107 5.203 2.948 5.856 380 HE2 HIS 107 HE2 HIS 107 5.901 0.664 6.739 381 H PHE 108 H PHE 108 5.174 0.139 -0.334 382 HA PHE 108 HA PHE 108 7.177 0.115 -2.647 383 1HB PHE 108 1HB PHE 108 4.172 -0.418 -2.848 384 2HB PHE 108 2HB PHE 108 5.361 -0.637 -4.088 385 HD1 PHE 108 HD1 PHE 108 7.088 -2.538 -3.898 386 HD2 PHE 108 HD2 PHE 108 3.779 -2.194 -1.167 387 HE1 PHE 108 HE1 PHE 108 7.371 -4.892 -3.239 388 HE2 PHE 108 HE2 PHE 108 4.078 -4.550 -0.524 389 HZ PHE 108 HZ PHE 108 5.873 -5.900 -1.556 390 H LYS 109 H LYS 109 7.469 1.963 -3.626 391 HA LYS 109 HA LYS 109 6.008 4.420 -2.796 392 1HB LYS 109 1HB LYS 109 8.418 4.513 -3.025 393 2HB LYS 109 2HB LYS 109 8.382 3.989 -4.695 394 1HG LYS 109 1HG LYS 109 8.921 6.373 -4.519 395 2HG LYS 109 2HG LYS 109 7.486 6.092 -5.473 396 1HD LYS 109 1HD LYS 109 7.164 8.098 -4.147 397 2HD LYS 109 2HD LYS 109 6.014 6.884 -3.665 398 1HE LYS 109 1HE LYS 109 6.743 7.963 -1.648 399 2HE LYS 109 2HE LYS 109 7.451 6.351 -1.607 400 1HZ LYS 109 3HZ LYS 109 8.879 8.841 -2.427 401 2HZ LYS 109 1HZ LYS 109 9.057 8.050 -0.988 402 3HZ LYS 109 2HZ LYS 109 9.557 7.335 -2.390 403 H VAL 110 H VAL 110 4.273 5.088 -3.627 404 HA VAL 110 HA VAL 110 3.213 4.253 -6.340 405 HB VAL 110 HB VAL 110 1.867 5.772 -4.047 406 1HG1 VAL 110 1HG1 VAL 110 0.754 6.292 -6.228 407 2HG1 VAL 110 2HG1 VAL 110 0.594 4.558 -6.584 408 3HG1 VAL 110 3HG1 VAL 110 -0.307 5.291 -5.227 409 1HG2 VAL 110 3HG2 VAL 110 2.313 3.412 -3.337 410 2HG2 VAL 110 1HG2 VAL 110 0.586 3.749 -3.494 411 3HG2 VAL 110 2HG2 VAL 110 1.418 2.809 -4.750 412 H LEU 111 H LEU 111 4.365 5.437 -7.755 413 HA LEU 111 HA LEU 111 4.740 8.391 -7.570 414 1HB LEU 111 1HB LEU 111 5.215 6.446 -9.912 415 2HB LEU 111 2HB LEU 111 5.763 8.109 -9.879 416 HG LEU 111 HG LEU 111 6.694 5.943 -7.902 417 1HD1 LEU 111 3HD2 LEU 111 7.413 5.382 -10.218 418 2HD1 LEU 111 1HD2 LEU 111 8.124 7.001 -10.429 419 3HD1 LEU 111 2HD2 LEU 111 8.812 5.864 -9.240 420 1HD2 LEU 111 1HD1 LEU 111 7.832 8.784 -8.414 421 2HD2 LEU 111 2HD1 LEU 111 6.987 8.242 -6.943 422 3HD2 LEU 111 3HD1 LEU 111 8.566 7.555 -7.354 423 H ARG 112 H ARG 112 3.792 9.970 -8.843 424 HA ARG 112 HA ARG 112 1.114 9.244 -10.173 425 1HB ARG 112 1HB ARG 112 1.957 11.866 -8.784 426 2HB ARG 112 2HB ARG 112 0.455 11.642 -9.670 427 1HG ARG 112 1HG ARG 112 -0.237 9.786 -8.106 428 2HG ARG 112 2HG ARG 112 1.256 9.992 -7.206 429 1HD ARG 112 1HD ARG 112 -0.299 11.159 -5.918 430 2HD ARG 112 2HD ARG 112 0.590 12.438 -6.746 431 HE ARG 112 HE ARG 112 -1.802 11.782 -8.319 432 1HH1 ARG 112 2HH2 ARG 112 -0.950 13.352 -5.244 433 2HH1 ARG 112 1HH2 ARG 112 -2.527 14.290 -5.271 434 1HH2 ARG 112 1HH1 ARG 112 -3.567 12.903 -8.241 435 2HH2 ARG 112 2HH1 ARG 112 -3.904 14.051 -6.851 436 H ASP 113 H ASP 113 0.549 10.151 -12.097 437 HA ASP 113 HA ASP 113 2.454 12.041 -13.517 438 1HB ASP 113 1HB ASP 113 2.469 10.904 -15.625 439 2HB ASP 113 2HB ASP 113 3.146 9.878 -14.393 440 H GLY 114 H GLY 114 1.489 13.658 -14.477 441 1HA GLY 114 1HA GLY 114 -0.153 14.945 -15.648 442 2HA GLY 114 2HA GLY 114 -1.189 13.539 -15.760 443 H ALA 115 H ALA 115 -2.978 13.607 -14.540 444 HA ALA 115 HA ALA 115 -3.423 15.747 -12.439 445 1HB ALA 115 2HB ALA 115 -5.222 15.436 -14.095 446 2HB ALA 115 3HB ALA 115 -5.427 13.732 -13.619 447 3HB ALA 115 1HB ALA 115 -5.798 15.035 -12.465 448 H GLY 116 H GLY 116 -4.170 12.213 -12.465 449 1HA GLY 116 1HA GLY 116 -2.359 11.706 -10.161 450 2HA GLY 116 2HA GLY 116 -4.048 11.655 -9.650 451 H LYS 117 H LYS 117 -1.850 10.382 -12.146 452 HA LYS 117 HA LYS 117 -3.457 7.776 -12.319 453 1HB LYS 117 1HB LYS 117 -1.343 8.962 -14.188 454 2HB LYS 117 2HB LYS 117 -1.748 7.265 -14.210 455 1HG LYS 117 1HG LYS 117 -2.978 8.312 -15.948 456 2HG LYS 117 2HG LYS 117 -4.121 7.727 -14.747 457 1HD LYS 117 1HD LYS 117 -4.477 10.030 -13.880 458 2HD LYS 117 2HD LYS 117 -3.193 10.668 -14.915 459 1HE LYS 117 1HE LYS 117 -4.536 10.029 -16.973 460 2HE LYS 117 2HE LYS 117 -5.810 9.364 -15.940 461 1HZ LYS 117 2HZ LYS 117 -6.108 11.592 -14.979 462 2HZ LYS 117 3HZ LYS 117 -4.922 12.211 -15.948 463 3HZ LYS 117 1HZ LYS 117 -6.315 11.627 -16.617 464 H TYR 118 H TYR 118 -2.917 6.724 -10.601 465 HA TYR 118 HA TYR 118 -0.309 6.890 -9.214 466 1HB TYR 118 1HB TYR 118 -2.735 5.060 -8.605 467 2HB TYR 118 2HB TYR 118 -1.402 5.361 -7.542 468 HD1 TYR 118 HD2 TYR 118 -1.011 7.848 -6.711 469 HD2 TYR 118 HD1 TYR 118 -4.690 6.488 -8.484 470 HE1 TYR 118 HE2 TYR 118 -2.205 9.763 -5.753 471 HE2 TYR 118 HE1 TYR 118 -5.858 8.414 -7.527 472 HH TYR 118 HH TYR 118 -4.132 10.824 -5.544 473 H PHE 119 H PHE 119 1.375 5.712 -9.944 474 HA PHE 119 HA PHE 119 0.990 2.828 -10.905 475 1HB PHE 119 1HB PHE 119 2.543 2.999 -12.633 476 2HB PHE 119 2HB PHE 119 1.361 4.242 -12.851 477 HD1 PHE 119 HD2 PHE 119 2.022 6.720 -12.348 478 HD2 PHE 119 HD1 PHE 119 4.919 3.549 -12.525 479 HE1 PHE 119 HE2 PHE 119 3.810 8.364 -12.716 480 HE2 PHE 119 HE1 PHE 119 6.695 5.207 -12.913 481 HZ PHE 119 HZ PHE 119 6.146 7.615 -13.014 482 H LEU 120 H LEU 120 1.845 1.516 -9.560 483 HA LEU 120 HA LEU 120 4.418 2.203 -8.061 484 1HB LEU 120 1HB LEU 120 3.756 1.203 -6.094 485 2HB LEU 120 2HB LEU 120 2.470 2.232 -6.611 486 HG LEU 120 HG LEU 120 1.381 0.516 -5.611 487 1HD1 LEU 120 2HD1 LEU 120 0.308 0.952 -7.848 488 2HD1 LEU 120 3HD1 LEU 120 1.145 -0.467 -8.513 489 3HD1 LEU 120 1HD1 LEU 120 -0.033 -0.663 -7.199 490 1HD2 LEU 120 2HD2 LEU 120 3.236 -1.081 -5.317 491 2HD2 LEU 120 3HD2 LEU 120 1.736 -1.891 -5.800 492 3HD2 LEU 120 1HD2 LEU 120 3.042 -1.665 -6.986 493 H TRP 121 H TRP 121 2.733 -0.433 -9.723 494 HA TRP 121 HA TRP 121 5.240 -2.181 -9.614 495 1HB TRP 121 1HB TRP 121 3.245 -3.228 -8.736 496 2HB TRP 121 2HB TRP 121 2.269 -2.756 -10.102 497 HD1 TRP 121 HD1 TRP 121 5.377 -5.129 -9.439 498 HE1 TRP 121 HE1 TRP 121 5.046 -7.399 -10.745 499 HE3 TRP 121 HE3 TRP 121 1.178 -3.723 -11.981 500 HZ2 TRP 121 HZ2 TRP 121 3.053 -8.323 -12.591 501 HZ3 TRP 121 HZ3 TRP 121 0.126 -5.328 -13.530 502 HH2 TRP 121 HH2 TRP 121 1.035 -7.597 -13.818 503 H VAL 122 H VAL 122 2.760 -1.997 -12.166 504 HA VAL 122 HA VAL 122 4.812 -1.038 -14.201 505 HB VAL 122 HB VAL 122 3.240 -3.577 -14.589 506 1HG1 VAL 122 2HG1 VAL 122 3.453 -2.355 -16.762 507 2HG1 VAL 122 3HG1 VAL 122 5.212 -2.215 -16.535 508 3HG1 VAL 122 1HG1 VAL 122 4.456 -3.811 -16.780 509 1HG2 VAL 122 2HG2 VAL 122 6.289 -3.227 -14.274 510 2HG2 VAL 122 3HG2 VAL 122 5.199 -4.075 -13.151 511 3HG2 VAL 122 1HG2 VAL 122 5.483 -4.739 -14.762 512 H VAL 123 H VAL 123 1.408 -2.220 -14.141 513 HA VAL 123 HA VAL 123 0.588 -0.082 -16.029 514 HB VAL 123 HB VAL 123 -0.280 -2.393 -16.165 515 1HG1 VAL 123 2HG1 VAL 123 -0.681 -2.944 -13.724 516 2HG1 VAL 123 3HG1 VAL 123 -2.069 -1.832 -13.718 517 3HG1 VAL 123 1HG1 VAL 123 -2.089 -3.282 -14.748 518 1HG2 VAL 123 3HG2 VAL 123 -1.496 -0.519 -17.280 519 2HG2 VAL 123 1HG2 VAL 123 -2.576 -1.849 -16.819 520 3HG2 VAL 123 2HG2 VAL 123 -2.554 -0.351 -15.858 521 H LYS 124 H LYS 124 -0.567 1.724 -15.652 522 HA LYS 124 HA LYS 124 -0.643 2.792 -12.869 523 1HB LYS 124 1HB LYS 124 -0.843 4.900 -13.677 524 2HB LYS 124 2HB LYS 124 0.158 4.148 -14.877 525 1HG LYS 124 1HG LYS 124 -2.838 4.886 -15.161 526 2HG LYS 124 2HG LYS 124 -1.467 5.781 -15.753 527 1HD LYS 124 1HD LYS 124 -2.074 4.803 -17.707 528 2HD LYS 124 2HD LYS 124 -0.859 3.658 -17.174 529 1HE LYS 124 1HE LYS 124 -2.737 2.430 -18.110 530 2HE LYS 124 2HE LYS 124 -2.709 2.083 -16.393 531 1HZ LYS 124 2HZ LYS 124 -4.518 4.045 -17.721 532 2HZ LYS 124 3HZ LYS 124 -4.945 2.550 -17.164 533 3HZ LYS 124 1HZ LYS 124 -4.503 3.732 -16.099 534 H PHE 125 H PHE 125 -2.500 4.154 -12.239 535 HA PHE 125 HA PHE 125 -5.207 2.755 -12.525 536 1HB PHE 125 1HB PHE 125 -3.862 3.039 -9.757 537 2HB PHE 125 2HB PHE 125 -5.439 2.380 -10.088 538 HD1 PHE 125 HD1 PHE 125 -5.526 0.183 -11.625 539 HD2 PHE 125 HD2 PHE 125 -1.973 1.561 -9.619 540 HE1 PHE 125 HE1 PHE 125 -4.497 -2.037 -11.883 541 HE2 PHE 125 HE2 PHE 125 -0.978 -0.667 -9.868 542 HZ PHE 125 HZ PHE 125 -2.213 -2.456 -11.016 543 H ASN 126 H ASN 126 -6.513 4.471 -12.881 544 HA ASN 126 HA ASN 126 -5.861 7.213 -12.253 545 1HB ASN 126 1HB ASN 126 -7.441 6.424 -14.062 546 2HB ASN 126 2HB ASN 126 -8.665 6.100 -12.853 547 1HD2 ASN 126 1HD2 ASN 126 -9.691 9.558 -12.914 548 2HD2 ASN 126 2HD2 ASN 126 -10.009 7.826 -12.398 549 H SER 127 H SER 127 -7.919 5.015 -10.326 550 HA SER 127 HA SER 127 -7.981 7.104 -8.067 551 1HB SER 127 1HB SER 127 -9.878 4.712 -8.568 552 2HB SER 127 2HB SER 127 -9.934 5.779 -7.166 553 HG SER 127 HG SER 127 -10.246 7.533 -8.582 554 H LEU 128 H LEU 128 -7.641 6.366 -5.956 555 HA LEU 128 HA LEU 128 -5.624 4.222 -5.538 556 1HB LEU 128 1HB LEU 128 -7.208 5.822 -3.467 557 2HB LEU 128 2HB LEU 128 -5.997 4.629 -3.047 558 HG LEU 128 HG LEU 128 -5.381 7.118 -4.728 559 1HD1 LEU 128 3HD2 LEU 128 -6.081 7.760 -2.412 560 2HD1 LEU 128 1HD2 LEU 128 -4.881 6.644 -1.716 561 3HD1 LEU 128 2HD2 LEU 128 -4.350 8.064 -2.652 562 1HD2 LEU 128 1HD1 LEU 128 -3.449 5.097 -3.402 563 2HD2 LEU 128 2HD1 LEU 128 -3.691 5.332 -5.149 564 3HD2 LEU 128 3HD1 LEU 128 -2.965 6.621 -4.181 565 H ASN 129 H ASN 129 -9.168 4.255 -5.275 566 HA ASN 129 HA ASN 129 -9.447 1.618 -3.995 567 1HB ASN 129 1HB ASN 129 -11.256 3.350 -4.107 568 2HB ASN 129 2HB ASN 129 -11.456 3.045 -5.820 569 1HD2 ASN 129 1HD2 ASN 129 -13.394 0.041 -5.176 570 2HD2 ASN 129 2HD2 ASN 129 -12.510 1.073 -6.412 571 H GLU 130 H GLU 130 -9.145 2.602 -7.440 572 HA GLU 130 HA GLU 130 -9.312 -0.085 -8.649 573 1HB GLU 130 1HB GLU 130 -7.862 2.452 -9.632 574 2HB GLU 130 2HB GLU 130 -7.990 0.978 -10.572 575 1HG GLU 130 1HG GLU 130 -10.456 1.149 -10.695 576 2HG GLU 130 2HG GLU 130 -10.467 2.535 -9.609 577 H LEU 131 H LEU 131 -6.493 1.808 -7.470 578 HA LEU 131 HA LEU 131 -4.414 -0.125 -8.038 579 1HB LEU 131 1HB LEU 131 -4.123 2.283 -7.455 580 2HB LEU 131 2HB LEU 131 -4.568 1.999 -5.795 581 HG LEU 131 HG LEU 131 -2.163 0.542 -7.033 582 1HD1 LEU 131 1HD2 LEU 131 -2.139 3.405 -5.870 583 2HD1 LEU 131 2HD2 LEU 131 -0.694 2.447 -6.272 584 3HD1 LEU 131 3HD2 LEU 131 -1.810 2.935 -7.557 585 1HD2 LEU 131 1HD1 LEU 131 -2.742 1.433 -4.119 586 2HD2 LEU 131 2HD1 LEU 131 -2.767 -0.240 -4.721 587 3HD2 LEU 131 3HD1 LEU 131 -1.244 0.648 -4.673 588 H VAL 132 H VAL 132 -6.303 0.172 -4.983 589 HA VAL 132 HA VAL 132 -4.990 -2.130 -3.740 590 HB VAL 132 HB VAL 132 -6.557 -2.193 -1.984 591 1HG1 VAL 132 2HG1 VAL 132 -4.853 -0.407 -1.926 592 2HG1 VAL 132 3HG1 VAL 132 -5.994 0.751 -2.656 593 3HG1 VAL 132 1HG1 VAL 132 -6.328 0.066 -1.052 594 1HG2 VAL 132 2HG2 VAL 132 -8.439 -0.266 -3.452 595 2HG2 VAL 132 3HG2 VAL 132 -8.784 -1.945 -2.984 596 3HG2 VAL 132 1HG2 VAL 132 -8.574 -0.725 -1.733 597 H ASP 133 H ASP 133 -8.117 -1.929 -5.438 598 HA ASP 133 HA ASP 133 -8.831 -4.653 -4.969 599 1HB ASP 133 1HB ASP 133 -10.396 -2.752 -5.602 600 2HB ASP 133 2HB ASP 133 -9.840 -2.848 -7.264 601 H TYR 134 H TYR 134 -6.903 -3.303 -7.694 602 HA TYR 134 HA TYR 134 -6.796 -5.747 -9.329 603 1HB TYR 134 1HB TYR 134 -6.189 -3.526 -10.240 604 2HB TYR 134 2HB TYR 134 -4.837 -3.385 -9.146 605 HD1 TYR 134 HD2 TYR 134 -6.118 -5.219 -12.159 606 HD2 TYR 134 HD1 TYR 134 -2.731 -4.626 -9.575 607 HE1 TYR 134 HE2 TYR 134 -4.682 -6.422 -13.748 608 HE2 TYR 134 HE1 TYR 134 -1.309 -5.831 -11.159 609 HH TYR 134 HH TYR 134 -1.211 -6.916 -13.103 610 H HIS 135 H HIS 135 -4.320 -4.475 -6.986 611 HA HIS 135 HA HIS 135 -2.951 -7.097 -6.950 612 1HB HIS 135 1HB HIS 135 -2.425 -4.620 -5.217 613 2HB HIS 135 2HB HIS 135 -1.506 -6.106 -5.093 614 HD2 HIS 135 HD2 HIS 135 -0.833 -2.942 -6.479 615 HE1 HIS 135 HE1 HIS 135 0.788 -5.444 -9.373 616 HE2 HIS 135 HE2 HIS 135 0.802 -2.998 -8.564 617 H ARG 136 H ARG 136 -5.711 -6.263 -5.284 618 HA ARG 136 HA ARG 136 -5.525 -8.004 -2.935 619 1HB ARG 136 1HB ARG 136 -7.289 -6.239 -3.607 620 2HB ARG 136 2HB ARG 136 -7.994 -7.413 -4.698 621 1HG ARG 136 1HG ARG 136 -8.654 -8.837 -2.811 622 2HG ARG 136 2HG ARG 136 -7.664 -7.933 -1.677 623 1HD ARG 136 1HD ARG 136 -10.081 -6.755 -3.196 624 2HD ARG 136 2HD ARG 136 -10.168 -7.388 -1.565 625 HE ARG 136 HE ARG 136 -9.141 -4.719 -2.384 626 1HH1 ARG 136 2HH2 ARG 136 -8.881 -7.131 0.215 627 2HH1 ARG 136 1HH2 ARG 136 -8.397 -5.816 1.400 628 1HH2 ARG 136 1HH1 ARG 136 -8.586 -3.313 -0.956 629 2HH2 ARG 136 2HH1 ARG 136 -8.242 -3.800 0.779 630 H SER 137 H SER 137 -5.890 -8.761 -6.345 631 HA SER 137 HA SER 137 -5.998 -11.731 -5.772 632 1HB SER 137 1HB SER 137 -6.960 -10.313 -8.331 633 2HB SER 137 2HB SER 137 -6.836 -12.063 -8.123 634 HG SER 137 HG SER 137 -8.902 -11.282 -7.688 635 H THR 138 H THR 138 -4.336 -9.164 -7.650 636 HA THR 138 HA THR 138 -2.318 -11.156 -8.732 637 HB THR 138 HB THR 138 -2.643 -8.112 -9.241 638 HG1 THR 138 HG1 THR 138 -4.342 -9.414 -9.972 639 1HG2 THR 138 3HG2 THR 138 -0.894 -10.143 -10.782 640 2HG2 THR 138 1HG2 THR 138 -1.305 -8.512 -11.359 641 3HG2 THR 138 2HG2 THR 138 -0.330 -8.700 -9.898 642 H SER 139 H SER 139 -0.080 -10.884 -8.506 643 HA SER 139 HA SER 139 0.822 -10.256 -5.754 644 1HB SER 139 1HB SER 139 1.729 -12.185 -7.039 645 2HB SER 139 2HB SER 139 2.481 -11.084 -8.207 646 HG SER 139 HG SER 139 3.955 -11.591 -6.653 647 H VAL 140 H VAL 140 1.844 -8.525 -5.011 648 HA VAL 140 HA VAL 140 2.315 -6.081 -6.664 649 HB VAL 140 HB VAL 140 3.299 -6.406 -3.779 650 1HG1 VAL 140 3HG1 VAL 140 2.714 -3.944 -5.545 651 2HG1 VAL 140 1HG1 VAL 140 3.085 -3.854 -3.809 652 3HG1 VAL 140 2HG1 VAL 140 4.303 -4.461 -4.943 653 1HG2 VAL 140 3HG2 VAL 140 0.796 -6.775 -3.766 654 2HG2 VAL 140 1HG2 VAL 140 1.288 -5.278 -2.962 655 3HG2 VAL 140 2HG2 VAL 140 0.582 -5.211 -4.593 656 H SER 141 H SER 141 4.467 -8.439 -4.978 657 HA SER 141 HA SER 141 6.876 -7.321 -6.527 658 1HB SER 141 1HB SER 141 7.152 -7.221 -4.061 659 2HB SER 141 2HB SER 141 6.861 -8.950 -3.908 660 HG SER 141 HG SER 141 8.662 -9.282 -5.290 661 H ARG 142 H ARG 142 7.574 -8.571 -8.141 662 HA ARG 142 HA ARG 142 6.269 -11.063 -8.907 663 1HB ARG 142 1HB ARG 142 8.829 -9.781 -10.021 664 2HB ARG 142 2HB ARG 142 8.113 -11.243 -10.684 665 1HG ARG 142 1HG ARG 142 5.932 -10.049 -11.081 666 2HG ARG 142 2HG ARG 142 6.639 -8.548 -10.481 667 1HD ARG 142 1HD ARG 142 8.327 -8.550 -12.340 668 2HD ARG 142 2HD ARG 142 7.714 -10.113 -12.920 669 HE ARG 142 HE ARG 142 5.457 -8.264 -12.798 670 1HH1 ARG 142 2HH2 ARG 142 8.405 -8.754 -14.723 671 2HH1 ARG 142 1HH2 ARG 142 7.588 -8.008 -16.187 672 1HH2 ARG 142 1HH1 ARG 142 4.627 -7.437 -14.522 673 2HH2 ARG 142 2HH1 ARG 142 5.591 -7.314 -16.078 674 H ASN 143 H ASN 143 9.281 -10.701 -7.068 675 HA ASN 143 HA ASN 143 9.815 -13.667 -7.076 676 1HB ASN 143 1HB ASN 143 11.107 -11.455 -5.371 677 2HB ASN 143 2HB ASN 143 11.519 -13.151 -5.286 678 1HD2 ASN 143 1HD2 ASN 143 13.290 -10.999 -8.210 679 2HD2 ASN 143 2HD2 ASN 143 12.189 -10.262 -6.940 680 H GLN 144 H GLN 144 8.926 -11.384 -4.396 681 HA GLN 144 HA GLN 144 7.832 -13.707 -2.785 682 1HB GLN 144 1HB GLN 144 8.102 -10.719 -2.036 683 2HB GLN 144 2HB GLN 144 7.424 -11.957 -1.007 684 1HG GLN 144 1HG GLN 144 9.586 -11.706 -0.179 685 2HG GLN 144 2HG GLN 144 9.622 -13.226 -1.040 686 1HE2 GLN 144 2HE2 GLN 144 11.897 -10.059 -2.485 687 2HE2 GLN 144 1HE2 GLN 144 10.443 -9.754 -1.409 688 H GLN 145 H GLN 145 5.731 -14.261 -2.979 689 HA GLN 145 HA GLN 145 3.844 -12.662 -4.582 690 1HB GLN 145 1HB GLN 145 3.380 -15.263 -3.026 691 2HB GLN 145 2HB GLN 145 2.160 -14.468 -4.007 692 1HG GLN 145 1HG GLN 145 3.632 -14.645 -6.058 693 2HG GLN 145 2HG GLN 145 4.843 -15.491 -5.107 694 1HE2 GLN 145 2HE2 GLN 145 1.523 -17.582 -6.339 695 2HE2 GLN 145 1HE2 GLN 145 1.668 -15.768 -6.574 696 H ILE 146 H ILE 146 2.982 -10.858 -3.791 697 HA ILE 146 HA ILE 146 2.063 -10.727 -0.874 698 HB ILE 146 HB ILE 146 2.602 -8.280 -2.605 699 1HG1 ILE 146 1HG1 ILE 146 4.751 -9.257 -2.558 700 2HG1 ILE 146 2HG1 ILE 146 4.736 -7.894 -1.478 701 1HG2 ILE 146 2HG2 ILE 146 1.139 -7.874 -0.627 702 2HG2 ILE 146 3HG2 ILE 146 2.349 -8.583 0.453 703 3HG2 ILE 146 1HG2 ILE 146 2.702 -7.068 -0.407 704 1HD1 ILE 146 2HD1 ILE 146 4.669 -10.852 -0.568 705 2HD1 ILE 146 3HD1 ILE 146 6.069 -9.759 -0.522 706 3HD1 ILE 146 1HD1 ILE 146 4.668 -9.443 0.524 707 H PHE 147 H PHE 147 0.002 -10.684 -0.555 708 HA PHE 147 HA PHE 147 -1.973 -9.714 -2.706 709 1HB PHE 147 1HB PHE 147 -2.441 -12.185 -0.940 710 2HB PHE 147 2HB PHE 147 -3.584 -11.489 -2.064 711 HD1 PHE 147 HD2 PHE 147 -2.643 -11.181 -4.625 712 HD2 PHE 147 HD1 PHE 147 -1.076 -13.993 -1.763 713 HE1 PHE 147 HE2 PHE 147 -1.612 -12.490 -6.445 714 HE2 PHE 147 HE1 PHE 147 -0.097 -15.296 -3.616 715 HZ PHE 147 HZ PHE 147 -0.345 -14.537 -5.939 716 H LEU 148 H LEU 148 -3.308 -8.268 -2.044 717 HA LEU 148 HA LEU 148 -2.895 -7.007 0.565 718 1HB LEU 148 1HB LEU 148 -4.493 -6.304 -1.944 719 2HB LEU 148 2HB LEU 148 -4.825 -5.434 -0.489 720 HG LEU 148 HG LEU 148 -2.532 -4.616 -0.273 721 1HD1 LEU 148 3HD1 LEU 148 -1.836 -6.178 -2.834 722 2HD1 LEU 148 1HD1 LEU 148 -0.830 -4.901 -2.098 723 3HD1 LEU 148 2HD1 LEU 148 -1.129 -6.406 -1.217 724 1HD2 LEU 148 3HD2 LEU 148 -4.179 -3.317 -1.643 725 2HD2 LEU 148 1HD2 LEU 148 -2.536 -3.101 -2.271 726 3HD2 LEU 148 2HD2 LEU 148 -3.672 -4.183 -3.112 727 H ARG 149 H ARG 149 -3.846 -7.424 2.378 728 HA ARG 149 HA ARG 149 -6.773 -8.214 2.609 729 1HB ARG 149 1HB ARG 149 -4.777 -9.632 3.604 730 2HB ARG 149 2HB ARG 149 -4.457 -8.291 4.675 731 1HG ARG 149 1HG ARG 149 -5.646 -9.861 5.940 732 2HG ARG 149 2HG ARG 149 -6.808 -8.574 5.664 733 1HD ARG 149 1HD ARG 149 -7.843 -9.905 3.788 734 2HD ARG 149 2HD ARG 149 -6.630 -11.165 3.965 735 HE ARG 149 HE ARG 149 -8.997 -10.657 5.780 736 1HH1 ARG 149 2HH2 ARG 149 -5.920 -12.421 5.485 737 2HH1 ARG 149 1HH2 ARG 149 -6.459 -13.598 6.786 738 1HH2 ARG 149 1HH1 ARG 149 -9.501 -12.052 7.244 739 2HH2 ARG 149 2HH1 ARG 149 -8.349 -13.401 7.712 740 H ASP 150 H ASP 150 -8.087 -6.986 4.041 741 HA ASP 150 HA ASP 150 -7.315 -4.119 4.532 742 1HB ASP 150 1HB ASP 150 -9.890 -5.661 5.274 743 2HB ASP 150 2HB ASP 150 -9.634 -3.966 5.632 744 H ILE 151 H ILE 151 -7.421 -3.090 6.568 745 HA ILE 151 HA ILE 151 -5.637 -4.318 8.478 746 HB ILE 151 HB ILE 151 -5.792 -2.355 9.871 747 1HG1 ILE 151 1HG1 ILE 151 -8.162 -1.758 9.866 748 2HG1 ILE 151 2HG1 ILE 151 -7.093 -0.408 9.614 749 1HG2 ILE 151 2HG2 ILE 151 -4.285 -2.302 7.929 750 2HG2 ILE 151 3HG2 ILE 151 -5.546 -1.509 6.954 751 3HG2 ILE 151 1HG2 ILE 151 -4.857 -0.679 8.370 752 1HD1 ILE 151 2HD1 ILE 151 -7.680 -0.386 7.138 753 2HD1 ILE 151 3HD1 ILE 151 -8.823 -1.728 7.420 754 3HD1 ILE 151 1HD1 ILE 151 -9.086 -0.154 8.198 755 H GLU 152 H GLU 152 -5.819 -4.624 10.732 756 HA GLU 152 HA GLU 152 -8.487 -5.839 11.636 757 1HB GLU 152 1HB GLU 152 -6.548 -7.364 11.762 758 2HB GLU 152 2HB GLU 152 -5.702 -6.272 12.840 759 1HG GLU 152 1HG GLU 152 -7.541 -6.534 14.565 760 2HG GLU 152 2HG GLU 152 -8.433 -7.575 13.460 761 HXT GLU 152 HO OH 153 -5.808 -4.226 13.137 No H/Q in entry = 761
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