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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4678 |
1fi5 ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 81 1HT MET 81 96.242 17.882 -4.371 2 2H MET 81 2HT MET 81 97.481 18.718 -3.528 3 3H MET 81 3HT MET 81 95.994 19.503 -3.873 4 HA MET 81 HA MET 81 95.876 18.944 -1.662 5 1HB MET 81 2HB MET 81 94.134 17.978 -3.552 6 2HB MET 81 1HB MET 81 94.483 16.534 -2.609 7 1HG MET 81 2HG MET 81 92.640 17.397 -1.538 8 2HG MET 81 1HG MET 81 93.969 18.025 -0.568 9 1HE MET 81 1HE MET 81 90.870 18.493 -1.802 10 2HE MET 81 2HE MET 81 90.599 20.169 -2.281 11 3HE MET 81 3HE MET 81 90.852 19.768 -0.583 12 H VAL 82 H VAL 82 95.499 16.791 -0.233 13 HA VAL 82 HA VAL 82 98.109 15.497 -0.217 14 HB VAL 82 HB VAL 82 97.324 14.565 1.988 15 1HG1 VAL 82 1HG1 VAL 82 97.799 17.403 1.341 16 2HG1 VAL 82 2HG1 VAL 82 98.670 16.322 2.429 17 3HG1 VAL 82 3HG1 VAL 82 97.162 17.071 2.952 18 1HG2 VAL 82 1HG2 VAL 82 95.275 14.973 2.840 19 2HG2 VAL 82 2HG2 VAL 82 94.835 15.175 1.145 20 3HG2 VAL 82 3HG2 VAL 82 95.187 16.588 2.140 21 H ARG 83 H ARG 83 98.468 13.379 -0.604 22 HA ARG 83 HA ARG 83 96.205 11.811 -1.598 23 1HB ARG 83 2HB ARG 83 99.189 11.556 -1.933 24 2HB ARG 83 1HB ARG 83 98.082 10.279 -2.418 25 1HG ARG 83 2HG ARG 83 97.453 12.972 -3.432 26 2HG ARG 83 1HG ARG 83 98.928 12.229 -4.056 27 1HD ARG 83 2HD ARG 83 96.390 10.657 -3.968 28 2HD ARG 83 1HD ARG 83 96.648 11.830 -5.259 29 HE ARG 83 HE ARG 83 97.941 9.284 -4.946 30 1HH1 ARG 83 1HH1 ARG 83 98.208 12.472 -6.341 31 2HH1 ARG 83 2HH1 ARG 83 99.305 11.973 -7.583 32 1HH2 ARG 83 1HH2 ARG 83 99.386 8.626 -6.579 33 2HH2 ARG 83 2HH2 ARG 83 99.974 9.789 -7.720 34 H CYS 84 H CYS 84 96.505 9.348 -1.212 35 HA CYS 84 HA CYS 84 96.676 8.993 1.680 36 1HB CYS 84 2HB CYS 84 94.843 8.103 -0.120 37 2HB CYS 84 1HB CYS 84 95.899 6.699 -0.011 38 HG CYS 84 HG CYS 84 95.201 6.327 2.373 39 H MET 85 H MET 85 97.577 6.912 -1.074 40 HA MET 85 HA MET 85 99.554 5.519 0.402 41 1HB MET 85 2HB MET 85 100.230 4.622 -1.836 42 2HB MET 85 1HB MET 85 98.522 4.428 -1.464 43 1HG MET 85 2HG MET 85 97.922 6.216 -2.912 44 2HG MET 85 1HG MET 85 99.608 6.678 -3.135 45 1HE MET 85 1HE MET 85 98.110 5.462 -6.492 46 2HE MET 85 2HE MET 85 99.694 6.184 -6.208 47 3HE MET 85 3HE MET 85 98.278 6.804 -5.360 48 H LYS 86 H LYS 86 99.678 8.222 -1.862 49 HA LYS 86 HA LYS 86 101.308 9.726 -2.365 50 1HB LYS 86 2HB LYS 86 101.770 8.989 0.427 51 2HB LYS 86 1HB LYS 86 103.221 9.568 -0.380 52 1HG LYS 86 2HG LYS 86 102.474 11.681 -0.492 53 2HG LYS 86 1HG LYS 86 100.818 11.187 -0.845 54 1HD LYS 86 2HD LYS 86 100.400 10.718 1.473 55 2HD LYS 86 1HD LYS 86 102.097 10.986 1.878 56 1HE LYS 86 2HE LYS 86 101.891 13.240 1.831 57 2HE LYS 86 1HE LYS 86 100.716 13.211 0.515 58 1HZ LYS 86 1HZ LYS 86 99.010 13.196 1.939 59 2HZ LYS 86 2HZ LYS 86 100.126 13.758 3.077 60 3HZ LYS 86 3HZ LYS 86 99.752 12.111 3.004 61 H ASP 87 H ASP 87 101.880 8.325 -4.155 62 HA ASP 87 HA ASP 87 104.403 6.865 -3.769 63 1HB ASP 87 2HB ASP 87 102.410 5.652 -4.743 64 2HB ASP 87 1HB ASP 87 102.554 6.698 -6.152 65 H ASP 88 H ASP 88 104.219 9.763 -3.995 66 HA ASP 88 HA ASP 88 105.416 10.254 -6.626 67 1HB ASP 88 2HB ASP 88 103.523 11.689 -5.340 68 2HB ASP 88 1HB ASP 88 104.968 12.517 -4.767 69 H SER 89 H SER 89 106.093 10.312 -3.196 70 HA SER 89 HA SER 89 108.573 11.685 -3.355 71 1HB SER 89 2HB SER 89 107.387 9.858 -1.261 72 2HB SER 89 1HB SER 89 108.951 10.650 -1.066 73 HG SER 89 HG SER 89 107.295 11.889 -0.133 74 H LYS 90 H LYS 90 109.300 10.436 -5.305 75 HA LYS 90 HA LYS 90 110.595 7.905 -4.538 76 1HB LYS 90 2HB LYS 90 108.940 7.967 -6.490 77 2HB LYS 90 1HB LYS 90 110.169 8.875 -7.359 78 1HG LYS 90 2HG LYS 90 111.115 6.388 -6.124 79 2HG LYS 90 1HG LYS 90 109.923 6.184 -7.407 80 1HD LYS 90 2HD LYS 90 111.629 8.065 -8.457 81 2HD LYS 90 1HD LYS 90 112.720 7.010 -7.557 82 1HE LYS 90 2HE LYS 90 112.143 5.137 -8.816 83 2HE LYS 90 1HE LYS 90 110.645 5.868 -9.392 84 1HZ LYS 90 1HZ LYS 90 112.082 7.490 -10.619 85 2HZ LYS 90 2HZ LYS 90 112.159 5.897 -11.183 86 3HZ LYS 90 3HZ LYS 90 113.412 6.518 -10.232 87 H GLY 91 H GLY 91 111.967 9.888 -3.537 88 1HA GLY 91 2HA GLY 91 113.987 10.734 -5.492 89 2HA GLY 91 1HA GLY 91 113.771 11.403 -3.882 90 H LYS 92 H LYS 92 115.853 9.704 -5.670 91 HA LYS 92 HA LYS 92 116.562 7.581 -3.891 92 1HB LYS 92 2HB LYS 92 117.913 8.849 -6.265 93 2HB LYS 92 1HB LYS 92 118.705 7.602 -5.312 94 1HG LYS 92 2HG LYS 92 117.419 5.955 -6.145 95 2HG LYS 92 1HG LYS 92 115.977 6.969 -6.216 96 1HD LYS 92 2HD LYS 92 117.542 8.137 -8.107 97 2HD LYS 92 1HD LYS 92 118.025 6.446 -8.257 98 1HE LYS 92 2HE LYS 92 115.941 5.768 -8.932 99 2HE LYS 92 1HE LYS 92 115.123 7.089 -8.098 100 1HZ LYS 92 1HZ LYS 92 116.254 7.003 -10.769 101 2HZ LYS 92 2HZ LYS 92 116.520 8.439 -9.915 102 3HZ LYS 92 3HZ LYS 92 114.942 7.890 -10.176 103 H THR 93 H THR 93 116.684 8.771 -1.891 104 HA THR 93 HA THR 93 118.941 10.604 -1.610 105 HB THR 93 HB THR 93 118.040 10.883 0.727 106 HG1 THR 93 HG1 THR 93 116.481 9.656 1.376 107 1HG2 THR 93 1HG2 THR 93 115.618 11.571 -0.517 108 2HG2 THR 93 2HG2 THR 93 116.897 11.826 -1.703 109 3HG2 THR 93 3HG2 THR 93 116.983 12.618 -0.131 110 H GLU 94 H GLU 94 119.919 10.268 0.810 111 HA GLU 94 HA GLU 94 121.683 8.139 0.626 112 1HB GLU 94 2HB GLU 94 120.831 9.393 3.232 113 2HB GLU 94 1HB GLU 94 122.387 8.672 2.843 114 1HG GLU 94 2HG GLU 94 123.128 10.687 2.320 115 2HG GLU 94 1HG GLU 94 122.010 10.698 0.957 116 H GLU 95 H GLU 95 118.442 8.197 1.834 117 HA GLU 95 HA GLU 95 118.451 6.024 3.571 118 1HB GLU 95 2HB GLU 95 116.047 5.812 3.039 119 2HB GLU 95 1HB GLU 95 116.521 7.475 3.360 120 1HG GLU 95 2HG GLU 95 115.360 7.916 1.502 121 2HG GLU 95 1HG GLU 95 116.823 7.381 0.677 122 H GLU 96 H GLU 96 118.383 6.125 0.062 123 HA GLU 96 HA GLU 96 117.895 3.291 -0.191 124 1HB GLU 96 2HB GLU 96 118.109 3.658 -2.582 125 2HB GLU 96 1HB GLU 96 117.063 4.883 -1.879 126 1HG GLU 96 2HG GLU 96 118.370 6.525 -2.586 127 2HG GLU 96 1HG GLU 96 119.811 5.759 -1.922 128 H LEU 97 H LEU 97 120.641 5.420 -0.065 129 HA LEU 97 HA LEU 97 122.529 3.613 -1.199 130 1HB LEU 97 2HB LEU 97 122.572 6.238 0.106 131 2HB LEU 97 1HB LEU 97 124.000 5.271 0.424 132 HG LEU 97 HG LEU 97 122.983 5.817 -2.359 133 1HD1 LEU 97 1HD1 LEU 97 125.063 7.317 -0.776 134 2HD1 LEU 97 2HD1 LEU 97 123.507 7.943 -1.324 135 3HD1 LEU 97 3HD1 LEU 97 124.751 7.518 -2.501 136 1HD2 LEU 97 1HD2 LEU 97 124.701 3.918 -1.551 137 2HD2 LEU 97 2HD2 LEU 97 125.819 5.263 -1.772 138 3HD2 LEU 97 3HD2 LEU 97 124.809 4.727 -3.114 139 H SER 98 H SER 98 121.191 4.069 1.979 140 HA SER 98 HA SER 98 123.140 2.853 3.554 141 1HB SER 98 2HB SER 98 121.458 2.604 5.222 142 2HB SER 98 1HB SER 98 121.042 4.066 4.330 143 HG SER 98 HG SER 98 119.229 3.160 3.821 144 H ASP 99 H ASP 99 120.763 1.463 1.415 145 HA ASP 99 HA ASP 99 120.976 -1.205 2.412 146 1HB ASP 99 2HB ASP 99 119.051 -0.200 1.050 147 2HB ASP 99 1HB ASP 99 120.074 -0.446 -0.363 148 H LEU 100 H LEU 100 122.547 0.640 -0.140 149 HA LEU 100 HA LEU 100 123.852 -1.474 -1.438 150 1HB LEU 100 2HB LEU 100 124.312 1.464 -1.213 151 2HB LEU 100 1HB LEU 100 125.583 0.471 -1.900 152 HG LEU 100 HG LEU 100 123.436 -0.404 -3.322 153 1HD1 LEU 100 1HD1 LEU 100 122.950 2.496 -3.475 154 2HD1 LEU 100 2HD1 LEU 100 122.321 1.685 -2.040 155 3HD1 LEU 100 3HD1 LEU 100 121.832 1.142 -3.644 156 1HD2 LEU 100 1HD2 LEU 100 124.292 1.550 -4.940 157 2HD2 LEU 100 2HD2 LEU 100 125.214 0.077 -4.636 158 3HD2 LEU 100 3HD2 LEU 100 125.602 1.558 -3.759 159 H PHE 101 H PHE 101 124.614 0.288 1.483 160 HA PHE 101 HA PHE 101 127.306 -0.546 1.734 161 1HB PHE 101 2HB PHE 101 126.371 1.364 2.978 162 2HB PHE 101 1HB PHE 101 125.352 0.262 3.899 163 HD1 PHE 101 HD1 PHE 101 126.220 -0.996 5.718 164 HD2 PHE 101 HD2 PHE 101 128.814 1.350 3.293 165 HE1 PHE 101 HE1 PHE 101 128.016 -1.278 7.375 166 HE2 PHE 101 HE2 PHE 101 130.616 1.072 4.945 167 HZ PHE 101 HZ PHE 101 130.218 -0.244 6.989 168 H ARG 102 H ARG 102 124.270 -1.828 3.051 169 HA ARG 102 HA ARG 102 125.366 -3.892 4.587 170 1HB ARG 102 2HB ARG 102 122.704 -3.870 3.153 171 2HB ARG 102 1HB ARG 102 123.144 -4.915 4.497 172 1HG ARG 102 2HG ARG 102 123.626 -2.529 5.616 173 2HG ARG 102 1HG ARG 102 122.354 -2.075 4.480 174 1HD ARG 102 2HD ARG 102 120.802 -3.515 5.459 175 2HD ARG 102 1HD ARG 102 122.051 -4.460 6.270 176 HE ARG 102 HE ARG 102 122.304 -2.018 7.397 177 1HH1 ARG 102 1HH1 ARG 102 119.579 -4.143 6.912 178 2HH1 ARG 102 2HH1 ARG 102 118.742 -3.598 8.326 179 1HH2 ARG 102 1HH2 ARG 102 121.204 -1.298 9.257 180 2HH2 ARG 102 2HH2 ARG 102 119.664 -1.981 9.658 181 H MET 103 H MET 103 124.732 -3.659 1.162 182 HA MET 103 HA MET 103 124.852 -6.394 0.513 183 1HB MET 103 2HB MET 103 125.279 -3.852 -1.008 184 2HB MET 103 1HB MET 103 125.701 -5.385 -1.761 185 1HG MET 103 2HG MET 103 123.112 -5.621 -0.606 186 2HG MET 103 1HG MET 103 123.170 -4.148 -1.573 187 1HE MET 103 1HE MET 103 122.122 -5.108 -4.631 188 2HE MET 103 2HE MET 103 121.670 -4.508 -3.036 189 3HE MET 103 3HE MET 103 121.146 -6.109 -3.557 190 H PHE 104 H PHE 104 127.377 -3.903 0.642 191 HA PHE 104 HA PHE 104 129.479 -5.620 -0.192 192 1HB PHE 104 2HB PHE 104 129.191 -2.863 0.703 193 2HB PHE 104 1HB PHE 104 130.663 -3.604 1.318 194 HD1 PHE 104 HD1 PHE 104 128.903 -4.098 -1.922 195 HD2 PHE 104 HD2 PHE 104 132.391 -2.704 0.078 196 HE1 PHE 104 HE1 PHE 104 129.994 -3.724 -4.095 197 HE2 PHE 104 HE2 PHE 104 133.490 -2.326 -2.092 198 HZ PHE 104 HZ PHE 104 132.290 -2.836 -4.182 199 H ASP 105 H ASP 105 128.250 -4.629 2.969 200 HA ASP 105 HA ASP 105 130.252 -5.772 4.557 201 1HB ASP 105 2HB ASP 105 127.923 -4.361 5.022 202 2HB ASP 105 1HB ASP 105 127.573 -5.937 5.723 203 H LYS 106 H LYS 106 130.202 -7.719 5.830 204 HA LYS 106 HA LYS 106 128.984 -9.943 4.359 205 1HB LYS 106 2HB LYS 106 131.555 -9.599 5.212 206 2HB LYS 106 1HB LYS 106 130.884 -10.564 6.521 207 1HG LYS 106 2HG LYS 106 131.853 -12.049 4.940 208 2HG LYS 106 1HG LYS 106 130.100 -12.201 4.809 209 1HD LYS 106 2HD LYS 106 131.328 -10.190 3.046 210 2HD LYS 106 1HD LYS 106 131.763 -11.866 2.700 211 1HE LYS 106 2HE LYS 106 129.105 -12.128 3.042 212 2HE LYS 106 1HE LYS 106 129.172 -10.476 2.428 213 1HZ LYS 106 1HZ LYS 106 128.945 -12.310 0.729 214 2HZ LYS 106 2HZ LYS 106 130.550 -12.717 1.072 215 3HZ LYS 106 3HZ LYS 106 130.181 -11.188 0.452 216 H ASN 107 H ASN 107 129.635 -9.009 7.739 217 HA ASN 107 HA ASN 107 127.430 -10.718 8.610 218 1HB ASN 107 2HB ASN 107 128.293 -10.135 10.916 219 2HB ASN 107 1HB ASN 107 129.414 -11.030 9.894 220 1HD2 ASN 107 1HD2 ASN 107 131.186 -10.302 11.061 221 2HD2 ASN 107 2HD2 ASN 107 131.772 -8.683 10.929 222 H ALA 108 H ALA 108 127.889 -7.529 7.718 223 HA ALA 108 HA ALA 108 126.602 -5.662 7.872 224 1HB ALA 108 1HB ALA 108 124.241 -6.205 9.031 225 2HB ALA 108 2HB ALA 108 124.733 -7.837 8.576 226 3HB ALA 108 3HB ALA 108 124.603 -6.578 7.346 227 H ASP 109 H ASP 109 128.415 -5.364 9.582 228 HA ASP 109 HA ASP 109 127.259 -5.054 12.263 229 1HB ASP 109 2HB ASP 109 129.685 -4.676 12.928 230 2HB ASP 109 1HB ASP 109 129.278 -6.296 12.370 231 H GLY 110 H GLY 110 128.539 -3.289 9.554 232 1HA GLY 110 2HA GLY 110 127.600 -0.967 9.459 233 2HA GLY 110 1HA GLY 110 128.228 -0.782 11.089 234 H TYR 111 H TYR 111 130.579 -2.538 9.964 235 HA TYR 111 HA TYR 111 131.953 -0.359 8.542 236 1HB TYR 111 2HB TYR 111 133.242 -2.082 10.665 237 2HB TYR 111 1HB TYR 111 133.953 -0.697 9.840 238 HD1 TYR 111 HD1 TYR 111 133.312 1.574 10.445 239 HD2 TYR 111 HD2 TYR 111 131.638 -1.780 12.457 240 HE1 TYR 111 HE1 TYR 111 132.497 3.058 12.228 241 HE2 TYR 111 HE2 TYR 111 130.817 -0.305 14.246 242 HH TYR 111 HH TYR 111 130.772 3.086 13.956 243 H ILE 112 H ILE 112 133.819 -1.055 7.284 244 HA ILE 112 HA ILE 112 133.726 -3.898 6.530 245 HB ILE 112 HB ILE 112 134.075 -1.647 4.552 246 1HG1 ILE 112 2HG1 ILE 112 131.617 -3.370 4.826 247 2HG1 ILE 112 1HG1 ILE 112 131.770 -1.836 5.678 248 1HG2 ILE 112 1HG2 ILE 112 134.983 -3.379 3.432 249 2HG2 ILE 112 2HG2 ILE 112 133.296 -3.787 3.121 250 3HG2 ILE 112 3HG2 ILE 112 134.172 -4.589 4.426 251 1HD1 ILE 112 1HD1 ILE 112 130.554 -1.897 3.415 252 2HD1 ILE 112 2HD1 ILE 112 132.173 -1.982 2.721 253 3HD1 ILE 112 3HD1 ILE 112 131.713 -0.603 3.720 254 H ASP 113 H ASP 113 135.666 -4.845 5.982 255 HA ASP 113 HA ASP 113 138.066 -3.153 6.098 256 1HB ASP 113 2HB ASP 113 137.330 -4.730 8.197 257 2HB ASP 113 1HB ASP 113 138.356 -5.836 7.288 258 H LEU 114 H LEU 114 140.055 -4.519 5.430 259 HA LEU 114 HA LEU 114 139.696 -5.339 2.777 260 1HB LEU 114 2HB LEU 114 141.996 -6.100 4.573 261 2HB LEU 114 1HB LEU 114 142.006 -6.013 2.822 262 HG LEU 114 HG LEU 114 141.325 -3.513 4.257 263 1HD1 LEU 114 1HD1 LEU 114 143.398 -4.862 5.311 264 2HD1 LEU 114 2HD1 LEU 114 143.324 -3.103 5.213 265 3HD1 LEU 114 3HD1 LEU 114 144.215 -4.017 3.997 266 1HD2 LEU 114 1HD2 LEU 114 143.102 -4.161 1.908 267 2HD2 LEU 114 2HD2 LEU 114 142.669 -2.545 2.464 268 3HD2 LEU 114 3HD2 LEU 114 141.427 -3.618 1.820 269 H GLU 115 H GLU 115 139.883 -7.186 5.773 270 HA GLU 115 HA GLU 115 140.018 -9.748 4.585 271 1HB GLU 115 2HB GLU 115 140.107 -8.733 7.169 272 2HB GLU 115 1HB GLU 115 138.632 -9.690 7.150 273 1HG GLU 115 2HG GLU 115 139.906 -11.454 7.553 274 2HG GLU 115 1HG GLU 115 140.485 -11.310 5.894 275 H GLU 116 H GLU 116 137.281 -7.869 5.861 276 HA GLU 116 HA GLU 116 135.308 -9.792 5.229 277 1HB GLU 116 2HB GLU 116 135.403 -7.106 6.306 278 2HB GLU 116 1HB GLU 116 134.066 -7.280 5.177 279 1HG GLU 116 2HG GLU 116 133.084 -9.001 6.436 280 2HG GLU 116 1HG GLU 116 134.544 -9.241 7.394 281 H LEU 117 H LEU 117 136.461 -6.905 3.521 282 HA LEU 117 HA LEU 117 134.667 -7.070 1.356 283 1HB LEU 117 2HB LEU 117 136.398 -5.210 2.145 284 2HB LEU 117 1HB LEU 117 137.404 -5.983 0.934 285 HG LEU 117 HG LEU 117 135.584 -5.594 -0.737 286 1HD1 LEU 117 1HD1 LEU 117 133.630 -4.596 -0.242 287 2HD1 LEU 117 2HD1 LEU 117 134.356 -3.529 0.962 288 3HD1 LEU 117 3HD1 LEU 117 133.966 -5.198 1.381 289 1HD2 LEU 117 1HD2 LEU 117 135.901 -2.956 -0.513 290 2HD2 LEU 117 2HD2 LEU 117 137.192 -4.028 -1.054 291 3HD2 LEU 117 3HD2 LEU 117 137.145 -3.480 0.622 292 H LYS 118 H LYS 118 137.696 -8.663 2.036 293 HA LYS 118 HA LYS 118 138.290 -9.552 -0.574 294 1HB LYS 118 2HB LYS 118 139.926 -9.579 1.262 295 2HB LYS 118 1HB LYS 118 138.990 -10.825 2.078 296 1HG LYS 118 2HG LYS 118 139.399 -12.353 0.215 297 2HG LYS 118 1HG LYS 118 140.346 -11.104 -0.596 298 1HD LYS 118 2HD LYS 118 141.559 -11.158 1.820 299 2HD LYS 118 1HD LYS 118 141.047 -12.841 1.678 300 1HE LYS 118 2HE LYS 118 142.713 -11.296 -0.305 301 2HE LYS 118 1HE LYS 118 143.283 -12.563 0.782 302 1HZ LYS 118 1HZ LYS 118 141.527 -13.993 -0.401 303 2HZ LYS 118 2HZ LYS 118 142.979 -13.668 -1.206 304 3HZ LYS 118 3HZ LYS 118 141.579 -12.809 -1.610 305 H ILE 119 H ILE 119 136.088 -10.699 1.866 306 HA ILE 119 HA ILE 119 135.707 -13.312 0.804 307 HB ILE 119 HB ILE 119 133.765 -11.729 2.488 308 1HG1 ILE 119 2HG1 ILE 119 135.751 -13.704 3.574 309 2HG1 ILE 119 1HG1 ILE 119 136.213 -12.022 3.335 310 1HG2 ILE 119 1HG2 ILE 119 133.452 -14.272 3.255 311 2HG2 ILE 119 2HG2 ILE 119 133.942 -14.536 1.582 312 3HG2 ILE 119 3HG2 ILE 119 132.529 -13.544 1.941 313 1HD1 ILE 119 1HD1 ILE 119 134.221 -11.409 4.755 314 2HD1 ILE 119 2HD1 ILE 119 135.553 -12.218 5.582 315 3HD1 ILE 119 3HD1 ILE 119 134.099 -13.121 5.155 316 H MET 120 H MET 120 133.632 -10.408 0.706 317 HA MET 120 HA MET 120 131.732 -11.450 -1.065 318 1HB MET 120 2HB MET 120 131.028 -9.141 -1.417 319 2HB MET 120 1HB MET 120 131.354 -9.434 0.287 320 1HG MET 120 2HG MET 120 132.922 -7.866 0.356 321 2HG MET 120 1HG MET 120 133.697 -8.464 -1.109 322 1HE MET 120 1HE MET 120 131.967 -7.451 -3.846 323 2HE MET 120 2HE MET 120 133.548 -7.818 -3.156 324 3HE MET 120 3HE MET 120 133.162 -6.170 -3.649 325 H LEU 121 H LEU 121 134.868 -10.046 -1.628 326 HA LEU 121 HA LEU 121 134.503 -9.526 -4.408 327 1HB LEU 121 2HB LEU 121 136.692 -9.412 -2.463 328 2HB LEU 121 1HB LEU 121 137.211 -9.855 -4.078 329 HG LEU 121 HG LEU 121 135.490 -7.436 -3.621 330 1HD1 LEU 121 1HD1 LEU 121 138.345 -7.809 -2.977 331 2HD1 LEU 121 2HD1 LEU 121 137.170 -6.665 -2.328 332 3HD1 LEU 121 3HD1 LEU 121 137.931 -6.358 -3.889 333 1HD2 LEU 121 1HD2 LEU 121 136.097 -8.608 -5.907 334 2HD2 LEU 121 2HD2 LEU 121 137.591 -7.693 -5.708 335 3HD2 LEU 121 3HD2 LEU 121 136.042 -6.852 -5.759 336 H GLN 122 H GLN 122 135.500 -12.295 -2.528 337 HA GLN 122 HA GLN 122 136.726 -13.818 -4.526 338 1HB GLN 122 2HB GLN 122 135.175 -14.622 -2.068 339 2HB GLN 122 1HB GLN 122 135.977 -15.791 -3.108 340 1HG GLN 122 2HG GLN 122 137.879 -13.807 -2.523 341 2HG GLN 122 1HG GLN 122 137.062 -14.187 -1.008 342 1HE2 GLN 122 1HE2 GLN 122 136.955 -16.459 -0.396 343 2HE2 GLN 122 2HE2 GLN 122 138.254 -17.507 -0.840 344 H ALA 123 H ALA 123 133.358 -13.222 -3.829 345 HA ALA 123 HA ALA 123 132.200 -15.330 -5.264 346 1HB ALA 123 1HB ALA 123 130.790 -12.742 -5.341 347 2HB ALA 123 2HB ALA 123 131.221 -13.341 -3.739 348 3HB ALA 123 3HB ALA 123 130.228 -14.328 -4.812 349 H THR 124 H THR 124 133.564 -12.290 -6.316 350 HA THR 124 HA THR 124 132.445 -12.140 -8.878 351 HB THR 124 HB THR 124 134.215 -10.608 -9.411 352 HG1 THR 124 HG1 THR 124 136.104 -11.334 -8.812 353 1HG2 THR 124 1HG2 THR 124 133.147 -9.214 -8.050 354 2HG2 THR 124 2HG2 THR 124 134.448 -9.539 -6.904 355 3HG2 THR 124 3HG2 THR 124 132.938 -10.445 -6.804 356 H GLY 125 H GLY 125 133.504 -12.546 -10.950 357 1HA GLY 125 2HA GLY 125 134.468 -15.229 -11.102 358 2HA GLY 125 1HA GLY 125 134.303 -14.106 -12.444 359 H GLU 126 H GLU 126 135.984 -12.086 -11.815 360 HA GLU 126 HA GLU 126 138.495 -13.092 -12.533 361 1HB GLU 126 2HB GLU 126 139.300 -10.764 -11.838 362 2HB GLU 126 1HB GLU 126 138.077 -10.852 -13.097 363 1HG GLU 126 2HG GLU 126 136.384 -10.118 -11.668 364 2HG GLU 126 1HG GLU 126 137.339 -10.454 -10.223 365 H THR 127 H THR 127 140.477 -13.157 -11.373 366 HA THR 127 HA THR 127 140.109 -13.888 -8.567 367 HB THR 127 HB THR 127 142.504 -14.744 -8.844 368 HG1 THR 127 HG1 THR 127 143.347 -14.802 -10.821 369 1HG2 THR 127 1HG2 THR 127 141.362 -16.406 -10.793 370 2HG2 THR 127 2HG2 THR 127 140.052 -15.896 -9.730 371 3HG2 THR 127 3HG2 THR 127 141.479 -16.684 -9.056 372 H ILE 128 H ILE 128 140.065 -11.949 -7.486 373 HA ILE 128 HA ILE 128 142.055 -9.919 -7.963 374 HB ILE 128 HB ILE 128 140.118 -10.071 -5.656 375 1HG1 ILE 128 2HG1 ILE 128 139.012 -8.289 -7.389 376 2HG1 ILE 128 1HG1 ILE 128 139.701 -9.453 -8.516 377 1HG2 ILE 128 1HG2 ILE 128 141.407 -8.327 -5.043 378 2HG2 ILE 128 2HG2 ILE 128 140.427 -7.453 -6.220 379 3HG2 ILE 128 3HG2 ILE 128 142.017 -8.065 -6.677 380 1HD1 ILE 128 1HD1 ILE 128 137.258 -9.712 -7.605 381 2HD1 ILE 128 2HD1 ILE 128 138.083 -10.469 -6.241 382 3HD1 ILE 128 3HD1 ILE 128 138.287 -11.120 -7.868 383 H THR 129 H THR 129 143.670 -9.248 -6.522 384 HA THR 129 HA THR 129 144.576 -11.357 -4.691 385 HB THR 129 HB THR 129 146.776 -10.006 -4.843 386 HG1 THR 129 HG1 THR 129 145.531 -9.075 -7.209 387 1HG2 THR 129 1HG2 THR 129 147.525 -11.479 -6.333 388 2HG2 THR 129 2HG2 THR 129 146.340 -10.998 -7.549 389 3HG2 THR 129 3HG2 THR 129 145.891 -12.140 -6.281 390 H GLU 130 H GLU 130 145.735 -10.617 -2.721 391 HA GLU 130 HA GLU 130 144.095 -9.010 -1.128 392 1HB GLU 130 2HB GLU 130 146.028 -10.770 -0.580 393 2HB GLU 130 1HB GLU 130 146.960 -9.292 -0.381 394 1HG GLU 130 2HG GLU 130 144.724 -8.704 1.038 395 2HG GLU 130 1HG GLU 130 144.861 -10.443 1.303 396 H ASP 131 H ASP 131 146.863 -8.221 -3.101 397 HA ASP 131 HA ASP 131 147.306 -5.632 -1.977 398 1HB ASP 131 2HB ASP 131 148.761 -7.264 -3.605 399 2HB ASP 131 1HB ASP 131 148.166 -6.078 -4.762 400 H ASP 132 H ASP 132 145.436 -6.899 -4.669 401 HA ASP 132 HA ASP 132 144.800 -4.422 -5.867 402 1HB ASP 132 2HB ASP 132 143.847 -7.210 -6.071 403 2HB ASP 132 1HB ASP 132 142.676 -5.980 -6.532 404 H ILE 133 H ILE 133 143.452 -6.174 -3.169 405 HA ILE 133 HA ILE 133 141.008 -4.706 -3.020 406 HB ILE 133 HB ILE 133 142.379 -6.198 -0.782 407 1HG1 ILE 133 2HG1 ILE 133 140.247 -7.351 -2.561 408 2HG1 ILE 133 1HG1 ILE 133 141.945 -7.460 -3.012 409 1HG2 ILE 133 1HG2 ILE 133 140.492 -5.966 0.421 410 2HG2 ILE 133 2HG2 ILE 133 139.447 -6.128 -0.989 411 3HG2 ILE 133 3HG2 ILE 133 140.215 -4.582 -0.634 412 1HD1 ILE 133 1HD1 ILE 133 142.193 -9.224 -1.711 413 2HD1 ILE 133 2HD1 ILE 133 140.479 -9.145 -1.302 414 3HD1 ILE 133 3HD1 ILE 133 141.663 -8.296 -0.308 415 H GLU 134 H GLU 134 144.237 -4.263 -1.765 416 HA GLU 134 HA GLU 134 143.734 -2.434 0.279 417 1HB GLU 134 2HB GLU 134 146.110 -2.620 -1.581 418 2HB GLU 134 1HB GLU 134 146.068 -1.659 -0.109 419 1HG GLU 134 2HG GLU 134 145.701 -3.707 1.196 420 2HG GLU 134 1HG GLU 134 145.799 -4.653 -0.288 421 H GLU 135 H GLU 135 143.825 -2.016 -3.186 422 HA GLU 135 HA GLU 135 143.967 0.829 -3.170 423 1HB GLU 135 2HB GLU 135 143.425 -1.280 -5.196 424 2HB GLU 135 1HB GLU 135 142.877 0.349 -5.563 425 1HG GLU 135 2HG GLU 135 145.171 1.171 -5.187 426 2HG GLU 135 1HG GLU 135 145.694 -0.493 -4.924 427 H LEU 136 H LEU 136 141.356 -1.509 -3.088 428 HA LEU 136 HA LEU 136 139.249 0.307 -3.638 429 1HB LEU 136 2HB LEU 136 139.414 -2.428 -2.432 430 2HB LEU 136 1HB LEU 136 137.905 -1.538 -2.363 431 HG LEU 136 HG LEU 136 139.253 -1.835 -5.008 432 1HD1 LEU 136 1HD1 LEU 136 139.345 -4.068 -4.660 433 2HD1 LEU 136 2HD1 LEU 136 137.633 -3.961 -5.075 434 3HD1 LEU 136 3HD1 LEU 136 138.128 -4.033 -3.384 435 1HD2 LEU 136 1HD2 LEU 136 137.224 -1.306 -5.845 436 2HD2 LEU 136 2HD2 LEU 136 136.990 -0.606 -4.245 437 3HD2 LEU 136 3HD2 LEU 136 136.355 -2.211 -4.607 438 H MET 137 H MET 137 140.830 -0.758 -0.678 439 HA MET 137 HA MET 137 138.989 0.652 1.032 440 1HB MET 137 2HB MET 137 141.410 -1.031 1.409 441 2HB MET 137 1HB MET 137 141.024 0.115 2.685 442 1HG MET 137 2HG MET 137 138.810 -1.573 1.701 443 2HG MET 137 1HG MET 137 140.080 -2.375 2.622 444 1HE MET 137 1HE MET 137 137.277 -2.609 4.232 445 2HE MET 137 2HE MET 137 136.895 -1.603 2.837 446 3HE MET 137 3HE MET 137 136.529 -1.029 4.463 447 H LYS 138 H LYS 138 142.079 1.269 -0.467 448 HA LYS 138 HA LYS 138 142.957 3.409 1.105 449 1HB LYS 138 2HB LYS 138 143.828 2.103 -1.199 450 2HB LYS 138 1HB LYS 138 143.577 3.766 -1.712 451 1HG LYS 138 2HG LYS 138 145.162 4.594 -0.219 452 2HG LYS 138 1HG LYS 138 145.140 3.127 0.762 453 1HD LYS 138 2HD LYS 138 146.439 1.944 -0.744 454 2HD LYS 138 1HD LYS 138 146.004 2.991 -2.097 455 1HE LYS 138 2HE LYS 138 147.252 4.816 -0.709 456 2HE LYS 138 1HE LYS 138 148.003 3.429 0.081 457 1HZ LYS 138 1HZ LYS 138 148.367 2.717 -2.412 458 2HZ LYS 138 2HZ LYS 138 149.453 3.743 -1.618 459 3HZ LYS 138 3HZ LYS 138 148.291 4.389 -2.665 460 H ASP 139 H ASP 139 141.041 3.444 -1.897 461 HA ASP 139 HA ASP 139 140.553 6.284 -1.630 462 1HB ASP 139 2HB ASP 139 139.491 6.156 -3.762 463 2HB ASP 139 1HB ASP 139 140.915 5.127 -3.842 464 H GLY 140 H GLY 140 139.031 3.360 -0.672 465 1HA GLY 140 2HA GLY 140 136.358 4.431 -0.544 466 2HA GLY 140 1HA GLY 140 136.899 2.890 0.103 467 H ASP 141 H ASP 141 139.092 4.216 1.610 468 HA ASP 141 HA ASP 141 137.489 4.942 3.926 469 1HB ASP 141 2HB ASP 141 139.404 3.315 4.069 470 2HB ASP 141 1HB ASP 141 140.493 4.662 3.749 471 H LYS 142 H LYS 142 137.145 6.962 4.566 472 HA LYS 142 HA LYS 142 138.820 9.091 3.414 473 1HB LYS 142 2HB LYS 142 135.969 9.259 4.407 474 2HB LYS 142 1HB LYS 142 136.893 10.582 3.709 475 1HG LYS 142 2HG LYS 142 136.422 8.056 2.172 476 2HG LYS 142 1HG LYS 142 135.208 9.336 2.226 477 1HD LYS 142 2HD LYS 142 137.925 10.272 1.639 478 2HD LYS 142 1HD LYS 142 137.253 9.185 0.423 479 1HE LYS 142 2HE LYS 142 135.369 11.219 1.340 480 2HE LYS 142 1HE LYS 142 136.810 11.888 0.575 481 1HZ LYS 142 1HZ LYS 142 136.222 11.090 -1.427 482 2HZ LYS 142 2HZ LYS 142 134.663 11.077 -0.772 483 3HZ LYS 142 3HZ LYS 142 135.576 9.655 -0.806 484 H ASN 143 H ASN 143 137.680 7.646 6.338 485 HA ASN 143 HA ASN 143 138.524 9.904 7.970 486 1HB ASN 143 2HB ASN 143 137.317 7.238 8.728 487 2HB ASN 143 1HB ASN 143 137.703 8.523 9.867 488 1HD2 ASN 143 1HD2 ASN 143 136.779 10.734 9.047 489 2HD2 ASN 143 2HD2 ASN 143 135.109 10.685 8.613 490 H ASN 144 H ASN 144 140.219 7.717 6.401 491 HA ASN 144 HA ASN 144 142.135 6.511 6.712 492 1HB ASN 144 2HB ASN 144 143.921 7.805 7.826 493 2HB ASN 144 1HB ASN 144 142.986 8.789 6.706 494 1HD2 ASN 144 1HD2 ASN 144 143.402 7.979 10.103 495 2HD2 ASN 144 2HD2 ASN 144 142.823 9.485 10.722 496 H ASP 145 H ASP 145 140.080 5.621 8.434 497 HA ASP 145 HA ASP 145 141.389 5.121 10.997 498 1HB ASP 145 2HB ASP 145 139.238 4.144 11.677 499 2HB ASP 145 1HB ASP 145 139.027 5.772 11.041 500 H GLY 146 H GLY 146 140.589 3.529 8.011 501 1HA GLY 146 2HA GLY 146 142.063 1.613 7.479 502 2HA GLY 146 1HA GLY 146 141.729 1.029 9.103 503 H ARG 147 H ARG 147 138.852 1.995 8.676 504 HA ARG 147 HA ARG 147 137.974 -0.188 6.909 505 1HB ARG 147 2HB ARG 147 136.719 0.566 9.554 506 2HB ARG 147 1HB ARG 147 136.160 -0.697 8.468 507 1HG ARG 147 2HG ARG 147 137.947 -2.091 8.964 508 2HG ARG 147 1HG ARG 147 138.932 -0.766 9.586 509 1HD ARG 147 2HD ARG 147 136.876 -0.626 11.297 510 2HD ARG 147 1HD ARG 147 136.809 -2.345 10.908 511 HE ARG 147 HE ARG 147 139.423 -1.941 11.475 512 1HH1 ARG 147 1HH1 ARG 147 136.468 -1.192 13.177 513 2HH1 ARG 147 2HH1 ARG 147 137.188 -1.339 14.745 514 1HH2 ARG 147 1HH2 ARG 147 140.370 -2.134 13.537 515 2HH2 ARG 147 2HH2 ARG 147 139.402 -1.872 14.949 516 H ILE 148 H ILE 148 135.577 0.054 6.364 517 HA ILE 148 HA ILE 148 134.982 2.905 5.899 518 HB ILE 148 HB ILE 148 134.128 0.618 4.127 519 1HG1 ILE 148 2HG1 ILE 148 136.361 2.596 3.631 520 2HG1 ILE 148 1HG1 ILE 148 136.618 0.947 4.188 521 1HG2 ILE 148 1HG2 ILE 148 134.207 3.556 3.498 522 2HG2 ILE 148 2HG2 ILE 148 132.787 2.762 4.180 523 3HG2 ILE 148 3HG2 ILE 148 133.403 2.268 2.603 524 1HD1 ILE 148 1HD1 ILE 148 136.931 1.322 1.736 525 2HD1 ILE 148 2HD1 ILE 148 135.194 1.616 1.631 526 3HD1 ILE 148 3HD1 ILE 148 135.792 0.044 2.162 527 H ASP 149 H ASP 149 132.924 3.633 6.260 528 HA ASP 149 HA ASP 149 130.924 1.681 7.160 529 1HB ASP 149 2HB ASP 149 130.307 3.123 9.040 530 2HB ASP 149 1HB ASP 149 131.996 2.639 9.158 531 H TYR 150 H TYR 150 128.851 3.316 7.754 532 HA TYR 150 HA TYR 150 127.742 3.929 5.290 533 1HB TYR 150 2HB TYR 150 126.418 3.568 7.330 534 2HB TYR 150 1HB TYR 150 127.005 5.096 7.982 535 HD1 TYR 150 HD1 TYR 150 126.126 7.202 7.199 536 HD2 TYR 150 HD2 TYR 150 124.811 3.538 5.481 537 HE1 TYR 150 HE1 TYR 150 124.255 8.382 6.128 538 HE2 TYR 150 HE2 TYR 150 122.935 4.708 4.405 539 HH TYR 150 HH TYR 150 122.000 7.843 5.242 540 H ASP 151 H ASP 151 129.159 6.158 7.678 541 HA ASP 151 HA ASP 151 128.737 8.530 6.273 542 1HB ASP 151 2HB ASP 151 130.940 7.781 8.203 543 2HB ASP 151 1HB ASP 151 130.656 9.419 7.622 544 H GLU 152 H GLU 152 131.501 6.305 6.191 545 HA GLU 152 HA GLU 152 133.014 7.845 4.345 546 1HB GLU 152 2HB GLU 152 133.260 4.867 4.734 547 2HB GLU 152 1HB GLU 152 134.513 6.008 4.260 548 1HG GLU 152 2HG GLU 152 134.211 7.060 6.549 549 2HG GLU 152 1HG GLU 152 133.266 5.630 6.962 550 H PHE 153 H PHE 153 130.848 5.064 3.991 551 HA PHE 153 HA PHE 153 131.229 4.651 1.245 552 1HB PHE 153 2HB PHE 153 129.788 3.404 3.206 553 2HB PHE 153 1HB PHE 153 128.508 4.134 2.244 554 HD1 PHE 153 HD1 PHE 153 131.772 2.583 1.323 555 HD2 PHE 153 HD2 PHE 153 127.535 2.512 0.942 556 HE1 PHE 153 HE1 PHE 153 131.953 0.744 -0.300 557 HE2 PHE 153 HE2 PHE 153 127.707 0.671 -0.682 558 HZ PHE 153 HZ PHE 153 129.919 -0.216 -1.305 559 H LEU 154 H LEU 154 128.808 6.593 2.976 560 HA LEU 154 HA LEU 154 127.379 7.476 0.740 561 1HB LEU 154 2HB LEU 154 127.568 8.157 3.555 562 2HB LEU 154 1HB LEU 154 127.293 9.578 2.567 563 HG LEU 154 HG LEU 154 125.194 8.620 3.389 564 1HD1 LEU 154 1HD1 LEU 154 124.691 9.735 1.479 565 2HD1 LEU 154 2HD1 LEU 154 124.267 8.106 0.950 566 3HD1 LEU 154 3HD1 LEU 154 125.825 8.801 0.502 567 1HD2 LEU 154 1HD2 LEU 154 124.422 6.456 2.665 568 2HD2 LEU 154 2HD2 LEU 154 125.974 6.273 3.485 569 3HD2 LEU 154 3HD2 LEU 154 125.893 6.207 1.724 570 H GLU 155 H GLU 155 130.392 8.570 2.126 571 HA GLU 155 HA GLU 155 130.475 10.976 0.524 572 1HB GLU 155 2HB GLU 155 132.199 9.725 2.600 573 2HB GLU 155 1HB GLU 155 132.970 10.821 1.462 574 1HG GLU 155 2HG GLU 155 130.470 11.731 2.770 575 2HG GLU 155 1HG GLU 155 131.934 11.648 3.751 576 H PHE 156 H PHE 156 131.851 7.746 0.469 577 HA PHE 156 HA PHE 156 133.670 8.260 -1.672 578 1HB PHE 156 2HB PHE 156 133.989 6.422 -0.041 579 2HB PHE 156 1HB PHE 156 132.569 5.616 -0.698 580 HD1 PHE 156 HD1 PHE 156 135.550 7.267 -2.225 581 HD2 PHE 156 HD2 PHE 156 133.158 3.762 -1.905 582 HE1 PHE 156 HE1 PHE 156 136.965 6.152 -3.902 583 HE2 PHE 156 HE2 PHE 156 134.567 2.641 -3.581 584 HZ PHE 156 HZ PHE 156 136.473 3.837 -4.582 585 H MET 157 H MET 157 130.430 6.850 -1.443 586 HA MET 157 HA MET 157 130.253 6.223 -4.221 587 1HB MET 157 2HB MET 157 128.693 5.782 -1.882 588 2HB MET 157 1HB MET 157 127.655 6.551 -3.077 589 1HG MET 157 2HG MET 157 127.330 4.460 -3.791 590 2HG MET 157 1HG MET 157 128.877 4.689 -4.603 591 1HE MET 157 1HE MET 157 128.535 2.213 -4.774 592 2HE MET 157 2HE MET 157 129.125 1.050 -3.586 593 3HE MET 157 3HE MET 157 130.259 2.109 -4.422 594 H LYS 158 H LYS 158 129.451 8.997 -2.251 595 HA LYS 158 HA LYS 158 127.924 10.317 -4.296 596 1HB LYS 158 2HB LYS 158 127.594 10.701 -1.848 597 2HB LYS 158 1HB LYS 158 129.159 11.501 -1.802 598 1HG LYS 158 2HG LYS 158 128.274 13.114 -3.508 599 2HG LYS 158 1HG LYS 158 126.686 12.387 -3.261 600 1HD LYS 158 2HD LYS 158 127.590 12.905 -0.694 601 2HD LYS 158 1HD LYS 158 128.128 14.304 -1.625 602 1HE LYS 158 2HE LYS 158 125.778 14.458 -2.527 603 2HE LYS 158 1HE LYS 158 125.324 13.251 -1.325 604 1HZ LYS 158 1HZ LYS 158 125.848 14.709 0.421 605 2HZ LYS 158 2HZ LYS 158 124.985 15.650 -0.689 606 3HZ LYS 158 3HZ LYS 158 126.669 15.786 -0.595 607 H GLY 159 H GLY 159 129.883 9.777 -5.793 608 1HA GLY 159 2HA GLY 159 131.071 11.193 -7.324 609 2HA GLY 159 1HA GLY 159 131.466 12.250 -5.977 610 H VAL 160 H VAL 160 132.064 9.005 -7.274 611 HA VAL 160 HA VAL 160 134.362 8.562 -5.626 612 HB VAL 160 HB VAL 160 133.617 7.102 -8.160 613 1HG1 VAL 160 1HG1 VAL 160 135.660 6.238 -7.730 614 2HG1 VAL 160 2HG1 VAL 160 134.758 5.266 -6.565 615 3HG1 VAL 160 3HG1 VAL 160 135.621 6.709 -6.030 616 1HG2 VAL 160 1HG2 VAL 160 132.242 5.664 -6.940 617 2HG2 VAL 160 2HG2 VAL 160 131.822 7.263 -6.328 618 3HG2 VAL 160 3HG2 VAL 160 132.883 6.212 -5.392 619 H GLU 161 H GLU 161 133.902 9.285 -9.082 620 HA GLU 161 HA GLU 161 136.723 9.572 -9.541 621 1HB GLU 161 2HB GLU 161 134.253 9.732 -11.162 622 2HB GLU 161 1HB GLU 161 135.608 10.697 -11.730 623 1HG GLU 161 2HG GLU 161 136.798 8.300 -11.202 624 2HG GLU 161 1HG GLU 161 135.205 7.808 -11.774 Start of MODEL 2 1 1H MET 81 1HT MET 81 98.084 16.475 14.775 2 2H MET 81 2HT MET 81 98.763 15.857 16.225 3 3H MET 81 3HT MET 81 98.799 17.545 15.909 4 HA MET 81 HA MET 81 97.120 17.282 17.421 5 1HB MET 81 2HB MET 81 96.692 18.285 14.936 6 2HB MET 81 1HB MET 81 95.402 17.093 15.022 7 1HG MET 81 2HG MET 81 94.180 18.436 16.280 8 2HG MET 81 1HG MET 81 95.478 18.575 17.463 9 1HE MET 81 1HE MET 81 93.930 19.584 14.323 10 2HE MET 81 2HE MET 81 95.231 20.510 13.573 11 3HE MET 81 3HE MET 81 93.919 21.346 14.404 12 H VAL 82 H VAL 82 96.840 14.860 14.854 13 HA VAL 82 HA VAL 82 96.207 12.757 16.592 14 HB VAL 82 HB VAL 82 94.068 13.940 16.870 15 1HG1 VAL 82 1HG1 VAL 82 94.293 14.645 14.271 16 2HG1 VAL 82 2HG1 VAL 82 92.787 14.709 15.187 17 3HG1 VAL 82 3HG1 VAL 82 93.131 13.325 14.151 18 1HG2 VAL 82 1HG2 VAL 82 93.863 11.642 17.198 19 2HG2 VAL 82 2HG2 VAL 82 94.095 11.279 15.489 20 3HG2 VAL 82 3HG2 VAL 82 92.586 12.007 16.039 21 H ARG 83 H ARG 83 96.501 10.853 15.572 22 HA ARG 83 HA ARG 83 96.997 9.366 13.925 23 1HB ARG 83 2HB ARG 83 95.165 11.128 12.288 24 2HB ARG 83 1HB ARG 83 95.720 9.530 11.813 25 1HG ARG 83 2HG ARG 83 94.664 8.913 14.184 26 2HG ARG 83 1HG ARG 83 93.674 10.320 13.790 27 1HD ARG 83 2HD ARG 83 92.656 8.218 13.020 28 2HD ARG 83 1HD ARG 83 93.024 9.312 11.687 29 HE ARG 83 HE ARG 83 95.192 7.579 12.032 30 1HH1 ARG 83 1HH1 ARG 83 91.854 7.477 11.020 31 2HH1 ARG 83 2HH1 ARG 83 92.084 6.120 9.969 32 1HH2 ARG 83 1HH2 ARG 83 95.498 5.794 10.651 33 2HH2 ARG 83 2HH2 ARG 83 94.151 5.163 9.760 34 H CYS 84 H CYS 84 99.159 9.686 13.642 35 HA CYS 84 HA CYS 84 99.943 11.578 11.520 36 1HB CYS 84 2HB CYS 84 100.783 12.171 13.796 37 2HB CYS 84 1HB CYS 84 101.651 10.641 13.834 38 HG CYS 84 HG CYS 84 102.964 11.637 11.660 39 H MET 85 H MET 85 100.256 10.433 9.721 40 HA MET 85 HA MET 85 101.691 7.867 9.927 41 1HB MET 85 2HB MET 85 99.316 7.919 8.972 42 2HB MET 85 1HB MET 85 100.010 8.746 7.585 43 1HG MET 85 2HG MET 85 100.973 6.881 6.782 44 2HG MET 85 1HG MET 85 101.360 6.260 8.385 45 1HE MET 85 1HE MET 85 100.326 4.945 9.669 46 2HE MET 85 2HE MET 85 99.562 3.562 8.885 47 3HE MET 85 3HE MET 85 98.584 4.708 9.805 48 H LYS 86 H LYS 86 101.509 10.949 8.253 49 HA LYS 86 HA LYS 86 103.566 10.412 6.368 50 1HB LYS 86 2HB LYS 86 101.755 12.265 6.346 51 2HB LYS 86 1HB LYS 86 102.880 13.165 7.354 52 1HG LYS 86 2HG LYS 86 104.582 12.998 5.608 53 2HG LYS 86 1HG LYS 86 103.447 12.102 4.595 54 1HD LYS 86 2HD LYS 86 101.909 14.172 4.970 55 2HD LYS 86 1HD LYS 86 103.419 14.986 5.386 56 1HE LYS 86 2HE LYS 86 104.275 13.961 3.156 57 2HE LYS 86 1HE LYS 86 102.559 13.797 2.779 58 1HZ LYS 86 1HZ LYS 86 103.407 16.394 3.776 59 2HZ LYS 86 2HZ LYS 86 102.307 16.010 2.549 60 3HZ LYS 86 3HZ LYS 86 103.969 15.975 2.234 61 H ASP 87 H ASP 87 105.568 9.914 6.983 62 HA ASP 87 HA ASP 87 106.749 11.353 9.259 63 1HB ASP 87 2HB ASP 87 108.457 9.486 9.195 64 2HB ASP 87 1HB ASP 87 106.821 8.998 9.629 65 H ASP 88 H ASP 88 109.220 11.581 9.035 66 HA ASP 88 HA ASP 88 109.725 13.277 6.816 67 1HB ASP 88 2HB ASP 88 111.257 12.327 9.180 68 2HB ASP 88 1HB ASP 88 112.190 12.934 7.815 69 H SER 89 H SER 89 110.535 9.947 7.570 70 HA SER 89 HA SER 89 112.469 9.503 5.594 71 1HB SER 89 2HB SER 89 110.544 7.328 6.299 72 2HB SER 89 1HB SER 89 112.299 7.263 6.133 73 HG SER 89 HG SER 89 112.519 7.833 8.161 74 H LYS 90 H LYS 90 112.101 10.146 3.550 75 HA LYS 90 HA LYS 90 109.527 9.652 2.291 76 1HB LYS 90 2HB LYS 90 111.962 11.234 1.598 77 2HB LYS 90 1HB LYS 90 110.883 10.740 0.302 78 1HG LYS 90 2HG LYS 90 109.059 11.754 1.930 79 2HG LYS 90 1HG LYS 90 110.449 12.678 2.502 80 1HD LYS 90 2HD LYS 90 110.806 13.651 0.394 81 2HD LYS 90 1HD LYS 90 109.782 12.467 -0.420 82 1HE LYS 90 2HE LYS 90 107.945 13.482 1.185 83 2HE LYS 90 1HE LYS 90 109.030 14.873 1.159 84 1HZ LYS 90 1HZ LYS 90 107.484 13.684 -1.037 85 2HZ LYS 90 2HZ LYS 90 108.928 14.489 -1.394 86 3HZ LYS 90 3HZ LYS 90 107.673 15.313 -0.614 87 H GLY 91 H GLY 91 109.929 9.060 -0.230 88 1HA GLY 91 2HA GLY 91 110.504 6.320 -0.265 89 2HA GLY 91 1HA GLY 91 110.349 7.338 -1.688 90 H LYS 92 H LYS 92 112.114 7.727 -2.874 91 HA LYS 92 HA LYS 92 114.551 6.395 -2.247 92 1HB LYS 92 2HB LYS 92 113.422 7.134 -4.559 93 2HB LYS 92 1HB LYS 92 114.509 8.498 -4.347 94 1HG LYS 92 2HG LYS 92 115.764 5.893 -3.907 95 2HG LYS 92 1HG LYS 92 115.155 6.142 -5.545 96 1HD LYS 92 2HD LYS 92 116.483 8.090 -5.834 97 2HD LYS 92 1HD LYS 92 116.892 8.146 -4.118 98 1HE LYS 92 2HE LYS 92 118.041 5.937 -4.420 99 2HE LYS 92 1HE LYS 92 117.789 6.117 -6.156 100 1HZ LYS 92 1HZ LYS 92 120.003 6.871 -5.226 101 2HZ LYS 92 2HZ LYS 92 119.174 8.184 -4.558 102 3HZ LYS 92 3HZ LYS 92 119.197 7.963 -6.235 103 H THR 93 H THR 93 114.993 7.413 -0.175 104 HA THR 93 HA THR 93 115.988 10.165 -0.346 105 HB THR 93 HB THR 93 116.222 9.726 2.236 106 HG1 THR 93 HG1 THR 93 114.655 8.229 2.947 107 1HG2 THR 93 1HG2 THR 93 114.334 10.890 2.555 108 2HG2 THR 93 2HG2 THR 93 113.365 9.804 1.557 109 3HG2 THR 93 3HG2 THR 93 114.372 11.037 0.798 110 H GLU 94 H GLU 94 117.918 10.404 1.392 111 HA GLU 94 HA GLU 94 120.171 9.271 0.169 112 1HB GLU 94 2HB GLU 94 120.012 10.425 2.958 113 2HB GLU 94 1HB GLU 94 121.457 10.269 1.967 114 1HG GLU 94 2HG GLU 94 120.962 12.081 0.712 115 2HG GLU 94 1HG GLU 94 119.222 11.812 0.810 116 H GLU 95 H GLU 95 118.222 8.227 2.871 117 HA GLU 95 HA GLU 95 119.967 6.394 4.053 118 1HB GLU 95 2HB GLU 95 117.840 5.243 4.805 119 2HB GLU 95 1HB GLU 95 117.981 6.945 5.222 120 1HG GLU 95 2HG GLU 95 116.172 7.492 4.052 121 2HG GLU 95 1HG GLU 95 116.675 6.530 2.663 122 H GLU 96 H GLU 96 118.219 6.240 1.074 123 HA GLU 96 HA GLU 96 117.948 3.511 0.676 124 1HB GLU 96 2HB GLU 96 118.467 5.779 -1.233 125 2HB GLU 96 1HB GLU 96 118.275 4.126 -1.800 126 1HG GLU 96 2HG GLU 96 116.253 5.789 -0.321 127 2HG GLU 96 1HG GLU 96 116.182 5.259 -2.000 128 H LEU 97 H LEU 97 120.798 5.525 0.470 129 HA LEU 97 HA LEU 97 122.484 3.805 -0.957 130 1HB LEU 97 2HB LEU 97 122.837 6.090 0.888 131 2HB LEU 97 1HB LEU 97 124.224 5.034 0.704 132 HG LEU 97 HG LEU 97 122.800 6.385 -1.589 133 1HD1 LEU 97 1HD1 LEU 97 124.978 7.266 0.200 134 2HD1 LEU 97 2HD1 LEU 97 123.799 8.210 -0.710 135 3HD1 LEU 97 3HD1 LEU 97 125.212 7.543 -1.527 136 1HD2 LEU 97 1HD2 LEU 97 125.367 4.813 -1.423 137 2HD2 LEU 97 2HD2 LEU 97 124.844 5.736 -2.830 138 3HD2 LEU 97 3HD2 LEU 97 123.894 4.357 -2.280 139 H SER 98 H SER 98 121.453 3.786 2.375 140 HA SER 98 HA SER 98 123.427 2.143 3.483 141 1HB SER 98 2HB SER 98 121.961 1.834 5.312 142 2HB SER 98 1HB SER 98 121.546 3.424 4.674 143 HG SER 98 HG SER 98 119.662 2.270 5.013 144 H ASP 99 H ASP 99 120.552 1.373 1.620 145 HA ASP 99 HA ASP 99 120.452 -1.385 2.107 146 1HB ASP 99 2HB ASP 99 118.736 0.117 0.909 147 2HB ASP 99 1HB ASP 99 119.710 -0.143 -0.536 148 H LEU 100 H LEU 100 122.364 0.520 -0.136 149 HA LEU 100 HA LEU 100 123.389 -1.779 -1.535 150 1HB LEU 100 2HB LEU 100 123.680 1.151 -1.700 151 2HB LEU 100 1HB LEU 100 125.094 0.234 -2.186 152 HG LEU 100 HG LEU 100 122.328 -0.091 -3.353 153 1HD1 LEU 100 1HD1 LEU 100 124.769 1.388 -4.282 154 2HD1 LEU 100 2HD1 LEU 100 123.117 1.980 -4.116 155 3HD1 LEU 100 3HD1 LEU 100 123.520 0.841 -5.400 156 1HD2 LEU 100 1HD2 LEU 100 124.928 -1.499 -3.770 157 2HD2 LEU 100 2HD2 LEU 100 123.810 -1.308 -5.120 158 3HD2 LEU 100 3HD2 LEU 100 123.296 -2.158 -3.664 159 H PHE 101 H PHE 101 124.359 0.227 1.153 160 HA PHE 101 HA PHE 101 127.075 -0.518 1.274 161 1HB PHE 101 2HB PHE 101 126.151 1.406 2.501 162 2HB PHE 101 1HB PHE 101 125.231 0.312 3.526 163 HD1 PHE 101 HD1 PHE 101 126.203 -0.679 5.418 164 HD2 PHE 101 HD2 PHE 101 128.658 1.336 2.585 165 HE1 PHE 101 HE1 PHE 101 128.106 -0.823 6.970 166 HE2 PHE 101 HE2 PHE 101 130.566 1.194 4.131 167 HZ PHE 101 HZ PHE 101 130.292 0.114 6.327 168 H ARG 102 H ARG 102 124.156 -1.946 2.652 169 HA ARG 102 HA ARG 102 125.377 -3.843 4.311 170 1HB ARG 102 2HB ARG 102 122.707 -3.427 3.143 171 2HB ARG 102 1HB ARG 102 123.085 -5.103 3.519 172 1HG ARG 102 2HG ARG 102 123.321 -4.668 5.794 173 2HG ARG 102 1HG ARG 102 123.507 -2.933 5.538 174 1HD ARG 102 2HD ARG 102 121.286 -2.577 5.476 175 2HD ARG 102 1HD ARG 102 120.973 -4.058 4.572 176 HE ARG 102 HE ARG 102 121.685 -4.780 7.168 177 1HH1 ARG 102 1HH1 ARG 102 119.104 -3.096 5.532 178 2HH1 ARG 102 2HH1 ARG 102 117.909 -3.528 6.707 179 1HH2 ARG 102 1HH2 ARG 102 120.112 -5.348 8.716 180 2HH2 ARG 102 2HH2 ARG 102 118.480 -4.806 8.514 181 H MET 103 H MET 103 124.776 -3.821 0.870 182 HA MET 103 HA MET 103 125.104 -6.549 0.326 183 1HB MET 103 2HB MET 103 125.695 -4.109 -1.349 184 2HB MET 103 1HB MET 103 125.794 -5.751 -1.969 185 1HG MET 103 2HG MET 103 123.273 -5.197 -0.632 186 2HG MET 103 1HG MET 103 123.578 -4.130 -2.003 187 1HE MET 103 1HE MET 103 122.378 -4.813 -4.195 188 2HE MET 103 2HE MET 103 123.084 -6.186 -5.046 189 3HE MET 103 3HE MET 103 124.127 -4.931 -4.379 190 H PHE 104 H PHE 104 127.445 -3.960 0.760 191 HA PHE 104 HA PHE 104 129.701 -5.524 -0.050 192 1HB PHE 104 2HB PHE 104 129.193 -2.801 0.764 193 2HB PHE 104 1HB PHE 104 130.607 -3.433 1.601 194 HD1 PHE 104 HD1 PHE 104 129.188 -3.633 -1.850 195 HD2 PHE 104 HD2 PHE 104 132.597 -2.936 0.599 196 HE1 PHE 104 HE1 PHE 104 130.547 -3.239 -3.862 197 HE2 PHE 104 HE2 PHE 104 133.964 -2.540 -1.409 198 HZ PHE 104 HZ PHE 104 132.939 -2.692 -3.643 199 H ASP 105 H ASP 105 128.336 -4.541 3.075 200 HA ASP 105 HA ASP 105 130.292 -5.699 4.709 201 1HB ASP 105 2HB ASP 105 127.942 -4.273 5.108 202 2HB ASP 105 1HB ASP 105 127.614 -5.834 5.855 203 H LYS 106 H LYS 106 130.516 -7.694 5.646 204 HA LYS 106 HA LYS 106 129.341 -9.901 4.227 205 1HB LYS 106 2HB LYS 106 131.705 -9.904 4.959 206 2HB LYS 106 1HB LYS 106 131.170 -9.912 6.633 207 1HG LYS 106 2HG LYS 106 131.762 -12.134 6.067 208 2HG LYS 106 1HG LYS 106 130.002 -12.071 6.163 209 1HD LYS 106 2HD LYS 106 130.459 -11.477 3.531 210 2HD LYS 106 1HD LYS 106 131.747 -12.633 3.880 211 1HE LYS 106 2HE LYS 106 130.272 -14.339 4.344 212 2HE LYS 106 1HE LYS 106 128.967 -13.235 4.776 213 1HZ LYS 106 1HZ LYS 106 128.921 -12.610 2.355 214 2HZ LYS 106 2HZ LYS 106 128.389 -14.174 2.714 215 3HZ LYS 106 3HZ LYS 106 129.932 -13.937 2.065 216 H ASN 107 H ASN 107 129.487 -9.088 7.702 217 HA ASN 107 HA ASN 107 126.972 -10.572 8.056 218 1HB ASN 107 2HB ASN 107 127.651 -10.591 10.500 219 2HB ASN 107 1HB ASN 107 128.667 -11.538 9.417 220 1HD2 ASN 107 1HD2 ASN 107 130.492 -11.468 10.641 221 2HD2 ASN 107 2HD2 ASN 107 131.388 -10.023 10.938 222 H ALA 108 H ALA 108 127.509 -7.649 7.266 223 HA ALA 108 HA ALA 108 126.661 -5.578 7.697 224 1HB ALA 108 1HB ALA 108 124.394 -6.676 9.243 225 2HB ALA 108 2HB ALA 108 124.610 -7.294 7.605 226 3HB ALA 108 3HB ALA 108 124.404 -5.563 7.874 227 H ASP 109 H ASP 109 128.610 -5.629 9.289 228 HA ASP 109 HA ASP 109 127.750 -5.405 12.072 229 1HB ASP 109 2HB ASP 109 129.990 -6.505 11.009 230 2HB ASP 109 1HB ASP 109 130.577 -4.888 11.382 231 H GLY 110 H GLY 110 128.761 -3.452 9.379 232 1HA GLY 110 2HA GLY 110 127.898 -1.118 9.527 233 2HA GLY 110 1HA GLY 110 128.636 -1.066 11.121 234 H TYR 111 H TYR 111 130.893 -2.748 9.781 235 HA TYR 111 HA TYR 111 132.192 -0.530 8.356 236 1HB TYR 111 2HB TYR 111 133.474 -2.243 10.494 237 2HB TYR 111 1HB TYR 111 134.299 -1.022 9.531 238 HD1 TYR 111 HD1 TYR 111 133.547 1.395 9.760 239 HD2 TYR 111 HD2 TYR 111 132.347 -1.658 12.470 240 HE1 TYR 111 HE1 TYR 111 132.952 3.110 11.420 241 HE2 TYR 111 HE2 TYR 111 131.748 0.049 14.136 242 HH TYR 111 HH TYR 111 131.462 3.329 13.388 243 H ILE 112 H ILE 112 134.103 -1.230 7.095 244 HA ILE 112 HA ILE 112 133.912 -4.038 6.233 245 HB ILE 112 HB ILE 112 134.327 -1.709 4.357 246 1HG1 ILE 112 2HG1 ILE 112 131.867 -3.390 4.276 247 2HG1 ILE 112 1HG1 ILE 112 131.975 -2.162 5.533 248 1HG2 ILE 112 1HG2 ILE 112 134.256 -4.669 4.050 249 2HG2 ILE 112 2HG2 ILE 112 135.300 -3.475 3.277 250 3HG2 ILE 112 3HG2 ILE 112 133.631 -3.665 2.741 251 1HD1 ILE 112 1HD1 ILE 112 131.943 -0.428 4.022 252 2HD1 ILE 112 2HD1 ILE 112 130.865 -1.598 3.266 253 3HD1 ILE 112 3HD1 ILE 112 132.525 -1.432 2.696 254 H ASP 113 H ASP 113 135.812 -5.070 5.925 255 HA ASP 113 HA ASP 113 138.277 -3.472 5.899 256 1HB ASP 113 2HB ASP 113 137.493 -4.763 8.144 257 2HB ASP 113 1HB ASP 113 138.400 -6.048 7.351 258 H LEU 114 H LEU 114 140.203 -5.133 5.513 259 HA LEU 114 HA LEU 114 139.936 -6.066 2.894 260 1HB LEU 114 2HB LEU 114 142.058 -5.472 4.192 261 2HB LEU 114 1HB LEU 114 141.977 -7.094 4.850 262 HG LEU 114 HG LEU 114 141.760 -7.456 2.091 263 1HD1 LEU 114 1HD1 LEU 114 144.052 -6.281 1.537 264 2HD1 LEU 114 2HD1 LEU 114 143.500 -5.140 2.763 265 3HD1 LEU 114 3HD1 LEU 114 142.516 -5.441 1.331 266 1HD2 LEU 114 1HD2 LEU 114 143.835 -7.886 4.178 267 2HD2 LEU 114 2HD2 LEU 114 144.283 -8.118 2.488 268 3HD2 LEU 114 3HD2 LEU 114 142.965 -9.058 3.187 269 H GLU 115 H GLU 115 139.498 -7.688 5.970 270 HA GLU 115 HA GLU 115 139.424 -10.332 4.910 271 1HB GLU 115 2HB GLU 115 139.098 -9.054 7.503 272 2HB GLU 115 1HB GLU 115 137.962 -10.376 7.276 273 1HG GLU 115 2HG GLU 115 139.661 -11.952 7.026 274 2HG GLU 115 1HG GLU 115 140.882 -10.718 6.716 275 H GLU 116 H GLU 116 136.912 -8.016 5.885 276 HA GLU 116 HA GLU 116 134.739 -9.711 5.188 277 1HB GLU 116 2HB GLU 116 135.098 -6.921 6.069 278 2HB GLU 116 1HB GLU 116 133.670 -7.209 5.083 279 1HG GLU 116 2HG GLU 116 132.705 -8.597 6.640 280 2HG GLU 116 1HG GLU 116 134.249 -9.011 7.383 281 H LEU 117 H LEU 117 136.634 -7.337 3.449 282 HA LEU 117 HA LEU 117 134.862 -7.228 1.190 283 1HB LEU 117 2HB LEU 117 136.769 -5.565 2.098 284 2HB LEU 117 1HB LEU 117 137.700 -6.432 0.891 285 HG LEU 117 HG LEU 117 135.978 -5.816 -0.807 286 1HD1 LEU 117 1HD1 LEU 117 134.127 -4.627 -0.338 287 2HD1 LEU 117 2HD1 LEU 117 134.927 -3.666 0.908 288 3HD1 LEU 117 3HD1 LEU 117 134.355 -5.294 1.277 289 1HD2 LEU 117 1HD2 LEU 117 138.110 -4.417 0.031 290 2HD2 LEU 117 2HD2 LEU 117 136.841 -3.227 0.322 291 3HD2 LEU 117 3HD2 LEU 117 137.068 -3.896 -1.294 292 H LYS 118 H LYS 118 137.659 -9.091 2.132 293 HA LYS 118 HA LYS 118 138.384 -10.100 -0.389 294 1HB LYS 118 2HB LYS 118 138.954 -10.728 2.418 295 2HB LYS 118 1HB LYS 118 139.020 -12.128 1.358 296 1HG LYS 118 2HG LYS 118 140.645 -11.012 -0.057 297 2HG LYS 118 1HG LYS 118 140.547 -9.565 0.949 298 1HD LYS 118 2HD LYS 118 142.360 -10.502 1.936 299 2HD LYS 118 1HD LYS 118 141.121 -11.375 2.840 300 1HE LYS 118 2HE LYS 118 141.881 -12.594 0.277 301 2HE LYS 118 1HE LYS 118 143.166 -12.545 1.483 302 1HZ LYS 118 1HZ LYS 118 141.154 -13.421 2.971 303 2HZ LYS 118 2HZ LYS 118 142.192 -14.457 2.128 304 3HZ LYS 118 3HZ LYS 118 140.684 -14.060 1.475 305 H ILE 119 H ILE 119 135.838 -10.962 1.824 306 HA ILE 119 HA ILE 119 135.270 -13.528 0.735 307 HB ILE 119 HB ILE 119 133.363 -11.713 2.212 308 1HG1 ILE 119 2HG1 ILE 119 134.926 -13.889 3.545 309 2HG1 ILE 119 1HG1 ILE 119 135.703 -12.333 3.265 310 1HG2 ILE 119 1HG2 ILE 119 133.295 -14.517 1.311 311 2HG2 ILE 119 2HG2 ILE 119 131.977 -13.380 1.589 312 3HG2 ILE 119 3HG2 ILE 119 132.721 -14.219 2.951 313 1HD1 ILE 119 1HD1 ILE 119 133.411 -11.499 4.377 314 2HD1 ILE 119 2HD1 ILE 119 134.864 -11.884 5.300 315 3HD1 ILE 119 3HD1 ILE 119 133.572 -13.076 5.151 316 H MET 120 H MET 120 133.639 -10.375 0.375 317 HA MET 120 HA MET 120 131.747 -11.188 -1.514 318 1HB MET 120 2HB MET 120 131.493 -8.810 -2.039 319 2HB MET 120 1HB MET 120 131.588 -9.069 -0.303 320 1HG MET 120 2HG MET 120 133.539 -7.960 -0.101 321 2HG MET 120 1HG MET 120 134.133 -8.495 -1.671 322 1HE MET 120 1HE MET 120 134.552 -6.686 -3.498 323 2HE MET 120 2HE MET 120 133.122 -5.867 -4.125 324 3HE MET 120 3HE MET 120 133.119 -7.619 -3.930 325 H LEU 121 H LEU 121 135.108 -10.342 -1.869 326 HA LEU 121 HA LEU 121 135.047 -9.936 -4.691 327 1HB LEU 121 2HB LEU 121 137.290 -10.519 -2.765 328 2HB LEU 121 1HB LEU 121 137.548 -10.253 -4.479 329 HG LEU 121 HG LEU 121 136.184 -8.216 -2.732 330 1HD1 LEU 121 1HD1 LEU 121 138.441 -8.736 -1.850 331 2HD1 LEU 121 2HD1 LEU 121 138.289 -7.090 -2.469 332 3HD1 LEU 121 3HD1 LEU 121 139.114 -8.321 -3.427 333 1HD2 LEU 121 1HD2 LEU 121 135.766 -7.745 -4.983 334 2HD2 LEU 121 2HD2 LEU 121 137.385 -8.230 -5.482 335 3HD2 LEU 121 3HD2 LEU 121 137.152 -6.731 -4.580 336 H GLN 122 H GLN 122 135.354 -12.714 -2.614 337 HA GLN 122 HA GLN 122 136.528 -14.536 -4.374 338 1HB GLN 122 2HB GLN 122 134.447 -15.064 -2.243 339 2HB GLN 122 1HB GLN 122 135.473 -16.280 -2.991 340 1HG GLN 122 2HG GLN 122 137.352 -14.576 -2.116 341 2HG GLN 122 1HG GLN 122 136.095 -14.290 -0.913 342 1HE2 GLN 122 1HE2 GLN 122 138.489 -15.346 -0.162 343 2HE2 GLN 122 2HE2 GLN 122 138.289 -17.000 0.294 344 H ALA 123 H ALA 123 133.267 -13.312 -4.188 345 HA ALA 123 HA ALA 123 132.012 -15.299 -5.765 346 1HB ALA 123 1HB ALA 123 131.002 -12.502 -5.795 347 2HB ALA 123 2HB ALA 123 131.034 -13.365 -4.258 348 3HB ALA 123 3HB ALA 123 130.123 -14.021 -5.618 349 H THR 124 H THR 124 133.342 -12.103 -6.579 350 HA THR 124 HA THR 124 132.705 -12.131 -9.304 351 HB THR 124 HB THR 124 134.629 -10.494 -9.506 352 HG1 THR 124 HG1 THR 124 135.617 -9.867 -7.589 353 1HG2 THR 124 1HG2 THR 124 133.604 -8.733 -8.240 354 2HG2 THR 124 2HG2 THR 124 132.728 -9.903 -7.253 355 3HG2 THR 124 3HG2 THR 124 132.348 -9.736 -8.968 356 H GLY 125 H GLY 125 134.156 -12.390 -11.143 357 1HA GLY 125 2HA GLY 125 135.905 -14.718 -10.745 358 2HA GLY 125 1HA GLY 125 135.182 -14.225 -12.269 359 H GLU 126 H GLU 126 136.746 -11.945 -10.138 360 HA GLU 126 HA GLU 126 138.777 -11.498 -12.203 361 1HB GLU 126 2HB GLU 126 137.917 -9.771 -9.874 362 2HB GLU 126 1HB GLU 126 139.160 -9.340 -11.041 363 1HG GLU 126 2HG GLU 126 137.214 -9.791 -12.761 364 2HG GLU 126 1HG GLU 126 136.213 -9.432 -11.353 365 H THR 127 H THR 127 140.986 -11.268 -11.665 366 HA THR 127 HA THR 127 141.777 -12.913 -9.388 367 HB THR 127 HB THR 127 143.930 -13.084 -10.448 368 HG1 THR 127 HG1 THR 127 142.985 -11.090 -12.228 369 1HG2 THR 127 1HG2 THR 127 141.892 -14.285 -11.505 370 2HG2 THR 127 2HG2 THR 127 143.432 -14.250 -12.362 371 3HG2 THR 127 3HG2 THR 127 142.137 -13.146 -12.828 372 H ILE 128 H ILE 128 141.373 -11.397 -7.721 373 HA ILE 128 HA ILE 128 143.119 -9.033 -7.698 374 HB ILE 128 HB ILE 128 140.850 -9.632 -5.802 375 1HG1 ILE 128 2HG1 ILE 128 140.029 -7.556 -7.433 376 2HG1 ILE 128 1HG1 ILE 128 140.823 -8.653 -8.560 377 1HG2 ILE 128 1HG2 ILE 128 142.861 -7.884 -5.468 378 2HG2 ILE 128 2HG2 ILE 128 141.228 -7.616 -4.858 379 3HG2 ILE 128 3HG2 ILE 128 141.734 -6.877 -6.378 380 1HD1 ILE 128 1HD1 ILE 128 138.809 -9.687 -6.614 381 2HD1 ILE 128 2HD1 ILE 128 139.310 -10.353 -8.168 382 3HD1 ILE 128 3HD1 ILE 128 138.301 -8.908 -8.112 383 H THR 129 H THR 129 144.791 -8.896 -6.332 384 HA THR 129 HA THR 129 145.380 -11.172 -4.633 385 HB THR 129 HB THR 129 147.121 -8.742 -4.786 386 HG1 THR 129 HG1 THR 129 147.007 -10.739 -6.795 387 1HG2 THR 129 1HG2 THR 129 148.228 -10.256 -3.506 388 2HG2 THR 129 2HG2 THR 129 148.799 -10.743 -5.101 389 3HG2 THR 129 3HG2 THR 129 147.501 -11.644 -4.315 390 H GLU 130 H GLU 130 146.162 -10.845 -2.409 391 HA GLU 130 HA GLU 130 144.270 -9.559 -0.811 392 1HB GLU 130 2HB GLU 130 145.811 -10.006 1.061 393 2HB GLU 130 1HB GLU 130 145.605 -11.407 0.020 394 1HG GLU 130 2HG GLU 130 147.760 -11.435 -0.584 395 2HG GLU 130 1HG GLU 130 147.858 -9.678 -0.699 396 H ASP 131 H ASP 131 147.260 -8.406 -2.179 397 HA ASP 131 HA ASP 131 147.411 -6.066 -0.514 398 1HB ASP 131 2HB ASP 131 149.041 -7.329 -2.571 399 2HB ASP 131 1HB ASP 131 148.976 -5.579 -2.762 400 H ASP 132 H ASP 132 146.234 -6.839 -3.741 401 HA ASP 132 HA ASP 132 145.787 -4.219 -4.643 402 1HB ASP 132 2HB ASP 132 144.947 -6.927 -5.436 403 2HB ASP 132 1HB ASP 132 143.826 -5.650 -5.899 404 H ILE 133 H ILE 133 143.960 -6.288 -2.516 405 HA ILE 133 HA ILE 133 141.500 -4.878 -2.646 406 HB ILE 133 HB ILE 133 142.532 -6.533 -0.342 407 1HG1 ILE 133 2HG1 ILE 133 140.712 -7.585 -2.478 408 2HG1 ILE 133 1HG1 ILE 133 142.450 -7.555 -2.758 409 1HG2 ILE 133 1HG2 ILE 133 139.873 -6.934 -0.402 410 2HG2 ILE 133 2HG2 ILE 133 139.950 -5.278 -1.006 411 3HG2 ILE 133 3HG2 ILE 133 140.651 -5.679 0.562 412 1HD1 ILE 133 1HD1 ILE 133 142.195 -8.686 -0.249 413 2HD1 ILE 133 2HD1 ILE 133 142.514 -9.532 -1.763 414 3HD1 ILE 133 3HD1 ILE 133 140.859 -9.371 -1.175 415 H GLU 134 H GLU 134 144.440 -4.458 -0.804 416 HA GLU 134 HA GLU 134 143.454 -2.779 1.222 417 1HB GLU 134 2HB GLU 134 146.114 -3.396 0.066 418 2HB GLU 134 1HB GLU 134 145.982 -1.881 0.949 419 1HG GLU 134 2HG GLU 134 144.772 -3.557 2.679 420 2HG GLU 134 1HG GLU 134 145.927 -4.652 1.921 421 H GLU 135 H GLU 135 144.345 -2.161 -2.100 422 HA GLU 135 HA GLU 135 144.296 0.710 -1.792 423 1HB GLU 135 2HB GLU 135 144.469 -1.059 -4.236 424 2HB GLU 135 1HB GLU 135 144.530 0.699 -4.286 425 1HG GLU 135 2HG GLU 135 146.496 -1.136 -2.938 426 2HG GLU 135 1HG GLU 135 146.755 -0.197 -4.408 427 H LEU 136 H LEU 136 142.123 -1.826 -2.822 428 HA LEU 136 HA LEU 136 140.200 -0.289 -4.151 429 1HB LEU 136 2HB LEU 136 140.224 -2.921 -2.769 430 2HB LEU 136 1HB LEU 136 138.660 -2.205 -3.112 431 HG LEU 136 HG LEU 136 140.449 -2.178 -5.422 432 1HD1 LEU 136 1HD1 LEU 136 139.903 -4.726 -3.977 433 2HD1 LEU 136 2HD1 LEU 136 141.343 -4.214 -4.858 434 3HD1 LEU 136 3HD1 LEU 136 139.901 -4.716 -5.741 435 1HD2 LEU 136 1HD2 LEU 136 138.293 -1.731 -6.006 436 2HD2 LEU 136 2HD2 LEU 136 137.620 -2.787 -4.764 437 3HD2 LEU 136 3HD2 LEU 136 138.293 -3.479 -6.240 438 H MET 137 H MET 137 140.878 -0.667 -0.764 439 HA MET 137 HA MET 137 138.360 0.530 0.048 440 1HB MET 137 2HB MET 137 140.718 -0.074 1.825 441 2HB MET 137 1HB MET 137 139.030 0.097 2.285 442 1HG MET 137 2HG MET 137 138.707 -1.948 0.684 443 2HG MET 137 1HG MET 137 140.424 -2.193 0.996 444 1HE MET 137 1HE MET 137 137.668 -0.879 3.821 445 2HE MET 137 2HE MET 137 136.949 -2.484 3.937 446 3HE MET 137 3HE MET 137 136.988 -1.646 2.385 447 H LYS 138 H LYS 138 141.617 1.491 -0.603 448 HA LYS 138 HA LYS 138 141.871 3.781 0.945 449 1HB LYS 138 2HB LYS 138 143.504 2.584 -0.756 450 2HB LYS 138 1HB LYS 138 142.884 3.799 -1.866 451 1HG LYS 138 2HG LYS 138 144.580 5.031 -1.079 452 2HG LYS 138 1HG LYS 138 143.487 5.341 0.272 453 1HD LYS 138 2HD LYS 138 144.485 3.417 1.466 454 2HD LYS 138 1HD LYS 138 145.626 3.217 0.135 455 1HE LYS 138 2HE LYS 138 145.475 5.926 1.273 456 2HE LYS 138 1HE LYS 138 146.106 4.688 2.360 457 1HZ LYS 138 1HZ LYS 138 147.743 4.102 0.683 458 2HZ LYS 138 2HZ LYS 138 147.872 5.739 1.092 459 3HZ LYS 138 3HZ LYS 138 147.137 5.287 -0.362 460 H ASP 139 H ASP 139 140.353 3.377 -2.231 461 HA ASP 139 HA ASP 139 139.746 6.133 -2.569 462 1HB ASP 139 2HB ASP 139 138.513 5.472 -4.501 463 2HB ASP 139 1HB ASP 139 139.923 4.422 -4.414 464 H GLY 140 H GLY 140 138.295 3.623 -0.738 465 1HA GLY 140 2HA GLY 140 135.737 5.048 -0.578 466 2HA GLY 140 1HA GLY 140 136.055 3.430 0.027 467 H ASP 141 H ASP 141 138.607 4.421 1.275 468 HA ASP 141 HA ASP 141 137.388 5.307 3.758 469 1HB ASP 141 2HB ASP 141 139.051 3.479 3.776 470 2HB ASP 141 1HB ASP 141 140.266 4.593 3.157 471 H LYS 142 H LYS 142 137.289 7.352 4.362 472 HA LYS 142 HA LYS 142 139.130 9.279 3.106 473 1HB LYS 142 2HB LYS 142 136.240 9.408 3.798 474 2HB LYS 142 1HB LYS 142 137.180 10.884 3.975 475 1HG LYS 142 2HG LYS 142 136.230 10.935 1.816 476 2HG LYS 142 1HG LYS 142 137.941 10.560 1.603 477 1HD LYS 142 2HD LYS 142 137.006 8.073 1.753 478 2HD LYS 142 1HD LYS 142 135.547 8.864 1.153 479 1HE LYS 142 2HE LYS 142 136.752 8.130 -0.752 480 2HE LYS 142 1HE LYS 142 136.974 9.878 -0.656 481 1HZ LYS 142 1HZ LYS 142 139.075 9.051 0.736 482 2HZ LYS 142 2HZ LYS 142 139.119 9.306 -0.937 483 3HZ LYS 142 3HZ LYS 142 138.915 7.742 -0.324 484 H ASN 143 H ASN 143 137.981 7.965 6.082 485 HA ASN 143 HA ASN 143 139.019 10.132 7.700 486 1HB ASN 143 2HB ASN 143 137.823 7.452 8.434 487 2HB ASN 143 1HB ASN 143 138.350 8.654 9.609 488 1HD2 ASN 143 1HD2 ASN 143 137.442 10.942 8.979 489 2HD2 ASN 143 2HD2 ASN 143 135.737 10.969 8.700 490 H ASN 144 H ASN 144 140.282 7.384 6.200 491 HA ASN 144 HA ASN 144 142.308 6.364 6.272 492 1HB ASN 144 2HB ASN 144 142.807 8.966 7.599 493 2HB ASN 144 1HB ASN 144 144.009 7.711 7.883 494 1HD2 ASN 144 1HD2 ASN 144 145.623 8.641 6.712 495 2HD2 ASN 144 2HD2 ASN 144 145.574 8.821 4.994 496 H ASP 145 H ASP 145 140.228 5.682 8.179 497 HA ASP 145 HA ASP 145 141.595 5.044 10.651 498 1HB ASP 145 2HB ASP 145 139.452 4.049 11.325 499 2HB ASP 145 1HB ASP 145 139.229 5.686 10.710 500 H GLY 146 H GLY 146 140.765 3.486 7.651 501 1HA GLY 146 2HA GLY 146 142.265 1.589 7.090 502 2HA GLY 146 1HA GLY 146 141.917 0.974 8.699 503 H ARG 147 H ARG 147 139.046 1.920 8.303 504 HA ARG 147 HA ARG 147 138.180 -0.200 6.452 505 1HB ARG 147 2HB ARG 147 137.003 0.417 9.168 506 2HB ARG 147 1HB ARG 147 136.349 -0.743 8.020 507 1HG ARG 147 2HG ARG 147 138.261 -2.149 8.235 508 2HG ARG 147 1HG ARG 147 139.117 -0.931 9.181 509 1HD ARG 147 2HD ARG 147 136.630 -1.453 10.454 510 2HD ARG 147 1HD ARG 147 137.394 -2.999 10.086 511 HE ARG 147 HE ARG 147 139.018 -0.959 11.397 512 1HH1 ARG 147 1HH1 ARG 147 137.202 -3.934 11.665 513 2HH1 ARG 147 2HH1 ARG 147 137.943 -4.393 13.159 514 1HH2 ARG 147 1HH2 ARG 147 139.985 -1.567 13.363 515 2HH2 ARG 147 2HH2 ARG 147 139.519 -3.052 14.123 516 H ILE 148 H ILE 148 135.672 0.042 6.120 517 HA ILE 148 HA ILE 148 135.131 2.896 5.614 518 HB ILE 148 HB ILE 148 134.090 0.586 3.977 519 1HG1 ILE 148 2HG1 ILE 148 136.278 2.505 3.175 520 2HG1 ILE 148 1HG1 ILE 148 136.616 0.936 3.901 521 1HG2 ILE 148 1HG2 ILE 148 134.203 3.489 3.214 522 2HG2 ILE 148 2HG2 ILE 148 132.830 2.796 4.080 523 3HG2 ILE 148 3HG2 ILE 148 133.259 2.192 2.480 524 1HD1 ILE 148 1HD1 ILE 148 136.697 0.239 1.780 525 2HD1 ILE 148 2HD1 ILE 148 135.773 1.617 1.184 526 3HD1 ILE 148 3HD1 ILE 148 134.938 0.235 1.893 527 H ASP 149 H ASP 149 133.120 3.697 6.068 528 HA ASP 149 HA ASP 149 131.129 1.853 7.184 529 1HB ASP 149 2HB ASP 149 130.660 3.492 8.994 530 2HB ASP 149 1HB ASP 149 132.276 2.800 9.099 531 H TYR 150 H TYR 150 128.977 3.008 7.498 532 HA TYR 150 HA TYR 150 128.068 3.974 5.047 533 1HB TYR 150 2HB TYR 150 126.583 2.935 6.683 534 2HB TYR 150 1HB TYR 150 126.828 4.284 7.788 535 HD1 TYR 150 HD1 TYR 150 125.377 3.338 4.513 536 HD2 TYR 150 HD2 TYR 150 125.537 6.258 7.605 537 HE1 TYR 150 HE1 TYR 150 123.458 4.500 3.507 538 HE2 TYR 150 HE2 TYR 150 123.618 7.428 6.607 539 HH TYR 150 HH TYR 150 121.699 6.881 5.116 540 H ASP 151 H ASP 151 129.506 5.649 7.717 541 HA ASP 151 HA ASP 151 128.512 8.240 7.173 542 1HB ASP 151 2HB ASP 151 130.898 7.196 8.674 543 2HB ASP 151 1HB ASP 151 130.669 8.927 8.437 544 H GLU 152 H GLU 152 131.723 6.841 6.465 545 HA GLU 152 HA GLU 152 132.404 8.998 4.708 546 1HB GLU 152 2HB GLU 152 134.463 7.799 4.314 547 2HB GLU 152 1HB GLU 152 134.091 7.762 6.034 548 1HG GLU 152 2HG GLU 152 132.937 5.481 5.344 549 2HG GLU 152 1HG GLU 152 134.130 5.571 4.047 550 H PHE 153 H PHE 153 131.120 5.761 4.332 551 HA PHE 153 HA PHE 153 131.561 5.414 1.590 552 1HB PHE 153 2HB PHE 153 130.732 3.687 3.258 553 2HB PHE 153 1HB PHE 153 129.136 4.410 3.084 554 HD1 PHE 153 HD1 PHE 153 131.881 2.869 1.106 555 HD2 PHE 153 HD2 PHE 153 127.717 3.691 1.403 556 HE1 PHE 153 HE1 PHE 153 131.466 1.460 -0.869 557 HE2 PHE 153 HE2 PHE 153 127.293 2.284 -0.570 558 HZ PHE 153 HZ PHE 153 129.169 1.166 -1.709 559 H LEU 154 H LEU 154 129.227 7.322 3.318 560 HA LEU 154 HA LEU 154 127.354 7.675 1.229 561 1HB LEU 154 2HB LEU 154 127.868 8.800 3.873 562 2HB LEU 154 1HB LEU 154 127.224 9.982 2.751 563 HG LEU 154 HG LEU 154 125.257 8.643 2.371 564 1HD1 LEU 154 1HD1 LEU 154 126.823 6.484 2.991 565 2HD1 LEU 154 2HD1 LEU 154 125.071 6.459 2.800 566 3HD1 LEU 154 3HD1 LEU 154 125.781 6.619 4.407 567 1HD2 LEU 154 1HD2 LEU 154 125.533 8.467 5.327 568 2HD2 LEU 154 2HD2 LEU 154 124.205 9.092 4.350 569 3HD2 LEU 154 3HD2 LEU 154 125.673 10.048 4.560 570 H GLU 155 H GLU 155 130.191 9.538 2.252 571 HA GLU 155 HA GLU 155 129.851 11.579 0.287 572 1HB GLU 155 2HB GLU 155 132.109 10.786 2.107 573 2HB GLU 155 1HB GLU 155 132.314 12.045 0.895 574 1HG GLU 155 2HG GLU 155 130.240 13.120 1.950 575 2HG GLU 155 1HG GLU 155 130.533 12.025 3.300 576 H PHE 156 H PHE 156 131.661 8.569 0.462 577 HA PHE 156 HA PHE 156 133.198 8.958 -1.884 578 1HB PHE 156 2HB PHE 156 133.812 7.303 -0.184 579 2HB PHE 156 1HB PHE 156 132.347 6.389 -0.530 580 HD1 PHE 156 HD1 PHE 156 133.117 4.356 -1.339 581 HD2 PHE 156 HD2 PHE 156 134.728 7.972 -2.902 582 HE1 PHE 156 HE1 PHE 156 134.322 3.073 -3.058 583 HE2 PHE 156 HE2 PHE 156 135.936 6.695 -4.624 584 HZ PHE 156 HZ PHE 156 135.732 4.243 -4.704 585 H MET 157 H MET 157 129.989 7.679 -1.285 586 HA MET 157 HA MET 157 129.630 6.605 -3.910 587 1HB MET 157 2HB MET 157 127.977 6.965 -1.485 588 2HB MET 157 1HB MET 157 127.099 6.929 -3.008 589 1HG MET 157 2HG MET 157 129.115 4.814 -2.452 590 2HG MET 157 1HG MET 157 127.543 4.738 -1.658 591 1HE MET 157 1HE MET 157 128.778 2.677 -4.858 592 2HE MET 157 2HE MET 157 127.362 2.013 -4.044 593 3HE MET 157 3HE MET 157 128.705 2.649 -3.096 594 H LYS 158 H LYS 158 128.940 9.667 -2.339 595 HA LYS 158 HA LYS 158 127.478 10.684 -4.623 596 1HB LYS 158 2HB LYS 158 127.112 11.259 -2.111 597 2HB LYS 158 1HB LYS 158 128.451 12.375 -2.342 598 1HG LYS 158 2HG LYS 158 126.695 13.759 -2.772 599 2HG LYS 158 1HG LYS 158 127.015 13.159 -4.400 600 1HD LYS 158 2HD LYS 158 124.674 13.010 -4.093 601 2HD LYS 158 1HD LYS 158 125.292 11.365 -3.937 602 1HE LYS 158 2HE LYS 158 125.234 11.575 -1.501 603 2HE LYS 158 1HE LYS 158 124.621 13.222 -1.657 604 1HZ LYS 158 1HZ LYS 158 123.115 11.156 -3.043 605 2HZ LYS 158 2HZ LYS 158 122.565 12.499 -2.174 606 3HZ LYS 158 3HZ LYS 158 123.056 11.104 -1.353 607 H GLY 159 H GLY 159 129.373 10.229 -6.057 608 1HA GLY 159 2HA GLY 159 130.652 11.614 -7.542 609 2HA GLY 159 1HA GLY 159 131.064 12.636 -6.173 610 H VAL 160 H VAL 160 131.498 9.325 -7.394 611 HA VAL 160 HA VAL 160 133.714 8.724 -5.736 612 HB VAL 160 HB VAL 160 133.205 7.456 -8.419 613 1HG1 VAL 160 1HG1 VAL 160 135.206 7.023 -6.680 614 2HG1 VAL 160 2HG1 VAL 160 134.538 5.770 -7.725 615 3HG1 VAL 160 3HG1 VAL 160 134.007 5.896 -6.047 616 1HG2 VAL 160 1HG2 VAL 160 131.070 7.373 -7.442 617 2HG2 VAL 160 2HG2 VAL 160 131.725 7.068 -5.833 618 3HG2 VAL 160 3HG2 VAL 160 131.799 5.812 -7.070 619 H GLU 161 H GLU 161 133.420 10.059 -8.986 620 HA GLU 161 HA GLU 161 136.241 10.021 -9.498 621 1HB GLU 161 2HB GLU 161 135.608 11.477 -11.453 622 2HB GLU 161 1HB GLU 161 134.800 9.916 -11.395 623 1HG GLU 161 2HG GLU 161 133.337 12.060 -10.054 624 2HG GLU 161 1HG GLU 161 133.576 12.317 -11.782 Start of MODEL 3 1 1H MET 81 1HT MET 81 91.824 6.181 -0.977 2 2H MET 81 2HT MET 81 92.034 7.487 -2.071 3 3H MET 81 3HT MET 81 90.554 7.306 -1.222 4 HA MET 81 HA MET 81 92.096 9.046 -0.398 5 1HB MET 81 2HB MET 81 90.425 7.140 0.895 6 2HB MET 81 1HB MET 81 91.795 7.440 1.955 7 1HG MET 81 2HG MET 81 91.332 9.889 1.704 8 2HG MET 81 1HG MET 81 89.847 9.450 0.862 9 1HE MET 81 1HE MET 81 89.491 11.328 3.105 10 2HE MET 81 2HE MET 81 88.342 10.599 4.227 11 3HE MET 81 3HE MET 81 88.056 10.511 2.488 12 H VAL 82 H VAL 82 94.113 9.544 0.206 13 HA VAL 82 HA VAL 82 95.862 7.674 1.489 14 HB VAL 82 HB VAL 82 96.087 6.892 -0.828 15 1HG1 VAL 82 1HG1 VAL 82 95.723 9.439 -1.598 16 2HG1 VAL 82 2HG1 VAL 82 96.474 8.213 -2.620 17 3HG1 VAL 82 3HG1 VAL 82 97.479 9.340 -1.711 18 1HG2 VAL 82 1HG2 VAL 82 98.005 6.776 0.706 19 2HG2 VAL 82 2HG2 VAL 82 98.545 8.356 0.135 20 3HG2 VAL 82 3HG2 VAL 82 98.511 6.982 -0.971 21 H ARG 83 H ARG 83 97.052 8.826 2.852 22 HA ARG 83 HA ARG 83 97.738 11.599 2.125 23 1HB ARG 83 2HB ARG 83 96.060 10.931 4.139 24 2HB ARG 83 1HB ARG 83 97.596 10.904 4.995 25 1HG ARG 83 2HG ARG 83 97.875 13.238 3.744 26 2HG ARG 83 1HG ARG 83 96.114 13.177 3.822 27 1HD ARG 83 2HD ARG 83 96.193 12.894 6.222 28 2HD ARG 83 1HD ARG 83 97.954 12.817 6.184 29 HE ARG 83 HE ARG 83 98.021 15.104 6.047 30 1HH1 ARG 83 1HH1 ARG 83 94.774 14.020 5.367 31 2HH1 ARG 83 2HH1 ARG 83 94.105 15.617 5.378 32 1HH2 ARG 83 1HH2 ARG 83 97.143 17.205 6.059 33 2HH2 ARG 83 2HH2 ARG 83 95.450 17.424 5.771 34 H CYS 84 H CYS 84 99.842 11.785 1.765 35 HA CYS 84 HA CYS 84 101.759 9.866 2.551 36 1HB CYS 84 2HB CYS 84 102.007 12.671 1.471 37 2HB CYS 84 1HB CYS 84 103.411 11.673 1.830 38 HG CYS 84 HG CYS 84 103.114 10.948 -0.500 39 H MET 85 H MET 85 102.540 9.537 4.516 40 HA MET 85 HA MET 85 103.340 11.793 6.161 41 1HB MET 85 2HB MET 85 100.894 11.076 6.677 42 2HB MET 85 1HB MET 85 101.639 9.682 7.450 43 1HG MET 85 2HG MET 85 103.010 11.939 8.403 44 2HG MET 85 1HG MET 85 101.295 12.344 8.440 45 1HE MET 85 1HE MET 85 101.357 11.972 11.796 46 2HE MET 85 2HE MET 85 99.901 11.161 11.217 47 3HE MET 85 3HE MET 85 100.553 12.542 10.334 48 H LYS 86 H LYS 86 105.198 11.384 7.178 49 HA LYS 86 HA LYS 86 107.030 10.297 7.972 50 1HB LYS 86 2HB LYS 86 104.820 8.405 8.533 51 2HB LYS 86 1HB LYS 86 106.445 7.736 8.580 52 1HG LYS 86 2HG LYS 86 106.996 9.709 10.126 53 2HG LYS 86 1HG LYS 86 105.247 9.884 10.286 54 1HD LYS 86 2HD LYS 86 106.578 7.234 10.724 55 2HD LYS 86 1HD LYS 86 106.516 8.439 12.011 56 1HE LYS 86 2HE LYS 86 104.094 8.487 11.886 57 2HE LYS 86 1HE LYS 86 104.119 7.356 10.535 58 1HZ LYS 86 1HZ LYS 86 105.488 5.980 12.348 59 2HZ LYS 86 2HZ LYS 86 103.809 5.867 12.173 60 3HZ LYS 86 3HZ LYS 86 104.469 6.860 13.374 61 H ASP 87 H ASP 87 105.494 7.460 6.500 62 HA ASP 87 HA ASP 87 107.832 6.644 5.168 63 1HB ASP 87 2HB ASP 87 105.928 5.147 5.763 64 2HB ASP 87 1HB ASP 87 104.981 5.901 4.484 65 H ASP 88 H ASP 88 108.791 7.815 3.635 66 HA ASP 88 HA ASP 88 107.234 9.434 1.801 67 1HB ASP 88 2HB ASP 88 110.076 9.229 2.590 68 2HB ASP 88 1HB ASP 88 109.785 9.686 0.914 69 H SER 89 H SER 89 108.440 9.377 -0.551 70 HA SER 89 HA SER 89 107.442 7.084 -1.807 71 1HB SER 89 2HB SER 89 109.075 9.419 -2.633 72 2HB SER 89 1HB SER 89 109.151 8.001 -3.678 73 HG SER 89 HG SER 89 106.704 9.117 -2.801 74 H LYS 90 H LYS 90 108.481 5.329 -2.815 75 HA LYS 90 HA LYS 90 110.961 4.534 -1.479 76 1HB LYS 90 2HB LYS 90 108.681 3.142 -1.802 77 2HB LYS 90 1HB LYS 90 109.529 2.639 -3.257 78 1HG LYS 90 2HG LYS 90 111.393 1.840 -1.930 79 2HG LYS 90 1HG LYS 90 110.608 2.410 -0.455 80 1HD LYS 90 2HD LYS 90 108.661 0.891 -1.120 81 2HD LYS 90 1HD LYS 90 109.785 0.161 -2.268 82 1HE LYS 90 2HE LYS 90 110.760 0.465 0.502 83 2HE LYS 90 1HE LYS 90 109.464 -0.703 0.259 84 1HZ LYS 90 1HZ LYS 90 111.918 -0.697 -1.396 85 2HZ LYS 90 2HZ LYS 90 110.772 -1.928 -1.236 86 3HZ LYS 90 3HZ LYS 90 111.807 -1.566 0.050 87 H GLY 91 H GLY 91 111.213 6.482 -3.482 88 1HA GLY 91 2HA GLY 91 112.025 5.193 -5.939 89 2HA GLY 91 1HA GLY 91 112.168 6.903 -5.559 90 H LYS 92 H LYS 92 114.276 7.068 -6.310 91 HA LYS 92 HA LYS 92 116.305 5.441 -4.958 92 1HB LYS 92 2HB LYS 92 116.164 6.886 -7.541 93 2HB LYS 92 1HB LYS 92 117.730 6.878 -6.740 94 1HG LYS 92 2HG LYS 92 117.704 4.445 -6.683 95 2HG LYS 92 1HG LYS 92 116.117 4.437 -7.454 96 1HD LYS 92 2HD LYS 92 116.956 5.019 -9.497 97 2HD LYS 92 1HD LYS 92 118.306 5.920 -8.807 98 1HE LYS 92 2HE LYS 92 119.656 4.132 -8.821 99 2HE LYS 92 1HE LYS 92 118.389 3.058 -8.229 100 1HZ LYS 92 1HZ LYS 92 117.522 3.444 -10.687 101 2HZ LYS 92 2HZ LYS 92 118.621 2.220 -10.301 102 3HZ LYS 92 3HZ LYS 92 119.175 3.671 -10.969 103 H THR 93 H THR 93 116.064 6.585 -2.944 104 HA THR 93 HA THR 93 117.035 9.352 -2.947 105 HB THR 93 HB THR 93 116.417 8.941 -0.372 106 HG1 THR 93 HG1 THR 93 115.306 7.205 -0.093 107 1HG2 THR 93 1HG2 THR 93 114.883 10.462 -0.810 108 2HG2 THR 93 2HG2 THR 93 113.905 9.278 -1.678 109 3HG2 THR 93 3HG2 THR 93 115.146 10.196 -2.532 110 H GLU 94 H GLU 94 118.238 9.705 -0.627 111 HA GLU 94 HA GLU 94 120.806 8.660 -0.974 112 1HB GLU 94 2HB GLU 94 119.557 10.549 0.709 113 2HB GLU 94 1HB GLU 94 120.384 9.418 1.770 114 1HG GLU 94 2HG GLU 94 121.955 11.080 1.365 115 2HG GLU 94 1HG GLU 94 122.420 9.775 0.275 116 H GLU 95 H GLU 95 118.080 7.482 0.855 117 HA GLU 95 HA GLU 95 119.367 5.721 2.595 118 1HB GLU 95 2HB GLU 95 116.651 5.548 1.285 119 2HB GLU 95 1HB GLU 95 117.191 4.455 2.552 120 1HG GLU 95 2HG GLU 95 117.663 6.717 3.822 121 2HG GLU 95 1HG GLU 95 116.437 7.320 2.707 122 H GLU 96 H GLU 96 118.775 5.498 -0.816 123 HA GLU 96 HA GLU 96 118.949 2.727 -1.176 124 1HB GLU 96 2HB GLU 96 119.953 4.850 -3.076 125 2HB GLU 96 1HB GLU 96 119.471 3.210 -3.487 126 1HG GLU 96 2HG GLU 96 117.434 4.854 -2.139 127 2HG GLU 96 1HG GLU 96 117.882 5.349 -3.771 128 H LEU 97 H LEU 97 121.467 5.214 -1.058 129 HA LEU 97 HA LEU 97 123.655 3.626 -1.744 130 1HB LEU 97 2HB LEU 97 123.345 6.102 -0.085 131 2HB LEU 97 1HB LEU 97 124.908 5.319 -0.217 132 HG LEU 97 HG LEU 97 123.501 5.906 -2.760 133 1HD1 LEU 97 1HD1 LEU 97 124.257 7.967 -0.791 134 2HD1 LEU 97 2HD1 LEU 97 123.078 8.021 -2.101 135 3HD1 LEU 97 3HD1 LEU 97 124.793 8.237 -2.448 136 1HD2 LEU 97 1HD2 LEU 97 126.361 6.273 -1.878 137 2HD2 LEU 97 2HD2 LEU 97 125.742 6.330 -3.529 138 3HD2 LEU 97 3HD2 LEU 97 125.721 4.812 -2.630 139 H SER 98 H SER 98 121.901 3.910 1.257 140 HA SER 98 HA SER 98 123.850 2.664 2.913 141 1HB SER 98 2HB SER 98 122.247 2.744 4.619 142 2HB SER 98 1HB SER 98 121.811 4.114 3.597 143 HG SER 98 HG SER 98 119.930 3.075 3.873 144 H ASP 99 H ASP 99 121.249 1.499 0.887 145 HA ASP 99 HA ASP 99 121.064 -1.118 1.910 146 1HB ASP 99 2HB ASP 99 120.356 0.155 -0.714 147 2HB ASP 99 1HB ASP 99 120.241 -1.591 -0.524 148 H LEU 100 H LEU 100 122.990 0.230 -0.753 149 HA LEU 100 HA LEU 100 124.182 -2.182 -1.563 150 1HB LEU 100 2HB LEU 100 124.689 0.699 -1.969 151 2HB LEU 100 1HB LEU 100 126.078 -0.349 -2.191 152 HG LEU 100 HG LEU 100 123.477 -0.882 -3.598 153 1HD1 LEU 100 1HD1 LEU 100 125.658 0.480 -5.053 154 2HD1 LEU 100 2HD1 LEU 100 124.697 1.468 -3.951 155 3HD1 LEU 100 3HD1 LEU 100 123.909 0.587 -5.261 156 1HD2 LEU 100 1HD2 LEU 100 126.108 -1.511 -4.769 157 2HD2 LEU 100 2HD2 LEU 100 124.611 -2.444 -4.767 158 3HD2 LEU 100 3HD2 LEU 100 125.650 -2.439 -3.342 159 H PHE 101 H PHE 101 124.902 0.016 1.043 160 HA PHE 101 HA PHE 101 127.539 -0.708 1.604 161 1HB PHE 101 2HB PHE 101 126.405 1.200 2.661 162 2HB PHE 101 1HB PHE 101 125.365 0.093 3.550 163 HD1 PHE 101 HD1 PHE 101 128.692 1.554 3.304 164 HD2 PHE 101 HD2 PHE 101 126.240 -1.227 5.396 165 HE1 PHE 101 HE1 PHE 101 130.347 1.467 5.122 166 HE2 PHE 101 HE2 PHE 101 127.891 -1.319 7.217 167 HZ PHE 101 HZ PHE 101 129.949 0.031 7.082 168 H ARG 102 H ARG 102 124.497 -2.248 2.473 169 HA ARG 102 HA ARG 102 125.495 -4.081 4.354 170 1HB ARG 102 2HB ARG 102 123.104 -4.155 2.522 171 2HB ARG 102 1HB ARG 102 123.447 -5.444 3.667 172 1HG ARG 102 2HG ARG 102 123.311 -3.850 5.509 173 2HG ARG 102 1HG ARG 102 122.980 -2.551 4.362 174 1HD ARG 102 2HD ARG 102 121.272 -4.999 4.794 175 2HD ARG 102 1HD ARG 102 120.930 -3.388 5.421 176 HE ARG 102 HE ARG 102 121.149 -2.976 2.759 177 1HH1 ARG 102 1HH1 ARG 102 119.286 -5.219 4.677 178 2HH1 ARG 102 2HH1 ARG 102 117.986 -5.308 3.536 179 1HH2 ARG 102 1HH2 ARG 102 119.440 -3.092 1.258 180 2HH2 ARG 102 2HH2 ARG 102 118.072 -4.101 1.595 181 H MET 103 H MET 103 125.250 -4.216 0.840 182 HA MET 103 HA MET 103 125.935 -6.926 0.516 183 1HB MET 103 2HB MET 103 126.242 -4.539 -1.303 184 2HB MET 103 1HB MET 103 126.651 -6.176 -1.801 185 1HG MET 103 2HG MET 103 124.157 -6.567 -0.865 186 2HG MET 103 1HG MET 103 124.027 -4.904 -1.435 187 1HE MET 103 1HE MET 103 124.805 -8.743 -3.589 188 2HE MET 103 2HE MET 103 123.121 -8.433 -3.169 189 3HE MET 103 3HE MET 103 124.361 -8.410 -1.915 190 H PHE 104 H PHE 104 127.891 -4.013 0.818 191 HA PHE 104 HA PHE 104 130.371 -5.237 0.177 192 1HB PHE 104 2HB PHE 104 129.436 -2.630 0.948 193 2HB PHE 104 1HB PHE 104 130.850 -3.051 1.908 194 HD1 PHE 104 HD1 PHE 104 132.850 -2.328 1.074 195 HD2 PHE 104 HD2 PHE 104 129.752 -3.380 -1.648 196 HE1 PHE 104 HE1 PHE 104 134.309 -1.728 -0.814 197 HE2 PHE 104 HE2 PHE 104 131.207 -2.784 -3.540 198 HZ PHE 104 HZ PHE 104 133.489 -1.958 -3.124 199 H ASP 105 H ASP 105 128.622 -4.699 3.190 200 HA ASP 105 HA ASP 105 130.752 -5.710 4.835 201 1HB ASP 105 2HB ASP 105 128.936 -4.018 5.512 202 2HB ASP 105 1HB ASP 105 127.879 -5.416 5.689 203 H LYS 106 H LYS 106 130.836 -7.679 5.915 204 HA LYS 106 HA LYS 106 129.112 -9.777 4.777 205 1HB LYS 106 2HB LYS 106 131.899 -9.588 4.855 206 2HB LYS 106 1HB LYS 106 131.498 -10.761 6.102 207 1HG LYS 106 2HG LYS 106 131.827 -12.016 4.156 208 2HG LYS 106 1HG LYS 106 130.076 -11.918 4.346 209 1HD LYS 106 2HD LYS 106 129.985 -10.115 2.710 210 2HD LYS 106 1HD LYS 106 131.742 -10.156 2.548 211 1HE LYS 106 2HE LYS 106 131.673 -11.898 1.148 212 2HE LYS 106 1HE LYS 106 130.506 -12.762 2.148 213 1HZ LYS 106 1HZ LYS 106 129.596 -10.473 0.552 214 2HZ LYS 106 2HZ LYS 106 128.742 -11.847 1.041 215 3HZ LYS 106 3HZ LYS 106 129.862 -11.954 -0.221 216 H ASN 107 H ASN 107 130.501 -8.476 7.727 217 HA ASN 107 HA ASN 107 129.291 -10.500 9.396 218 1HB ASN 107 2HB ASN 107 130.859 -7.992 9.982 219 2HB ASN 107 1HB ASN 107 130.135 -8.966 11.257 220 1HD2 ASN 107 1HD2 ASN 107 131.426 -10.398 12.133 221 2HD2 ASN 107 2HD2 ASN 107 132.784 -11.152 11.379 222 H ALA 108 H ALA 108 128.453 -7.384 8.158 223 HA ALA 108 HA ALA 108 126.554 -6.139 8.305 224 1HB ALA 108 1HB ALA 108 125.057 -8.067 9.955 225 2HB ALA 108 2HB ALA 108 125.651 -8.678 8.411 226 3HB ALA 108 3HB ALA 108 124.604 -7.260 8.453 227 H ASP 109 H ASP 109 128.575 -5.758 10.211 228 HA ASP 109 HA ASP 109 127.142 -5.267 12.721 229 1HB ASP 109 2HB ASP 109 129.411 -4.807 13.649 230 2HB ASP 109 1HB ASP 109 129.241 -6.433 12.993 231 H GLY 110 H GLY 110 128.498 -3.654 9.978 232 1HA GLY 110 2HA GLY 110 127.546 -1.405 9.585 233 2HA GLY 110 1HA GLY 110 127.915 -1.058 11.266 234 H TYR 111 H TYR 111 130.169 -2.892 9.366 235 HA TYR 111 HA TYR 111 131.727 -0.605 8.568 236 1HB TYR 111 2HB TYR 111 132.773 -2.458 10.719 237 2HB TYR 111 1HB TYR 111 133.727 -1.236 9.885 238 HD1 TYR 111 HD1 TYR 111 133.183 1.181 10.216 239 HD2 TYR 111 HD2 TYR 111 131.362 -1.883 12.539 240 HE1 TYR 111 HE1 TYR 111 132.508 2.857 11.884 241 HE2 TYR 111 HE2 TYR 111 130.681 -0.215 14.214 242 HH TYR 111 HH TYR 111 130.226 2.304 14.226 243 H ILE 112 H ILE 112 133.575 -1.183 7.273 244 HA ILE 112 HA ILE 112 133.567 -3.980 6.350 245 HB ILE 112 HB ILE 112 133.840 -1.590 4.524 246 1HG1 ILE 112 2HG1 ILE 112 131.499 -3.411 4.343 247 2HG1 ILE 112 1HG1 ILE 112 131.512 -2.269 5.683 248 1HG2 ILE 112 1HG2 ILE 112 133.827 -4.556 4.103 249 2HG2 ILE 112 2HG2 ILE 112 134.981 -3.355 3.525 250 3HG2 ILE 112 3HG2 ILE 112 133.373 -3.448 2.808 251 1HD1 ILE 112 1HD1 ILE 112 131.804 -1.527 2.783 252 2HD1 ILE 112 2HD1 ILE 112 131.691 -0.417 4.149 253 3HD1 ILE 112 3HD1 ILE 112 130.311 -1.427 3.717 254 H ASP 113 H ASP 113 135.528 -4.886 6.050 255 HA ASP 113 HA ASP 113 137.888 -3.136 6.053 256 1HB ASP 113 2HB ASP 113 139.002 -4.939 7.497 257 2HB ASP 113 1HB ASP 113 137.853 -3.869 8.293 258 H LEU 114 H LEU 114 139.907 -4.791 5.755 259 HA LEU 114 HA LEU 114 139.773 -5.627 3.091 260 1HB LEU 114 2HB LEU 114 141.779 -5.167 4.825 261 2HB LEU 114 1HB LEU 114 141.783 -6.921 4.836 262 HG LEU 114 HG LEU 114 141.893 -5.375 2.260 263 1HD1 LEU 114 1HD1 LEU 114 143.775 -4.987 4.139 264 2HD1 LEU 114 2HD1 LEU 114 144.110 -5.000 2.407 265 3HD1 LEU 114 3HD1 LEU 114 144.402 -6.446 3.373 266 1HD2 LEU 114 1HD2 LEU 114 143.238 -7.971 2.647 267 2HD2 LEU 114 2HD2 LEU 114 142.315 -7.361 1.273 268 3HD2 LEU 114 3HD2 LEU 114 141.475 -7.995 2.689 269 H GLU 115 H GLU 115 139.686 -7.547 6.087 270 HA GLU 115 HA GLU 115 139.593 -10.075 4.923 271 1HB GLU 115 2HB GLU 115 138.500 -10.796 7.050 272 2HB GLU 115 1HB GLU 115 139.972 -9.863 7.279 273 1HG GLU 115 2HG GLU 115 138.610 -7.866 7.722 274 2HG GLU 115 1HG GLU 115 137.153 -8.846 7.556 275 H GLU 116 H GLU 116 136.915 -7.915 5.818 276 HA GLU 116 HA GLU 116 134.874 -9.694 4.952 277 1HB GLU 116 2HB GLU 116 135.012 -6.852 5.804 278 2HB GLU 116 1HB GLU 116 133.617 -7.331 4.849 279 1HG GLU 116 2HG GLU 116 132.708 -7.920 6.789 280 2HG GLU 116 1HG GLU 116 133.762 -9.330 6.707 281 H LEU 117 H LEU 117 136.460 -6.901 3.448 282 HA LEU 117 HA LEU 117 134.930 -6.847 1.096 283 1HB LEU 117 2HB LEU 117 136.478 -5.053 1.895 284 2HB LEU 117 1HB LEU 117 137.827 -6.055 1.395 285 HG LEU 117 HG LEU 117 136.976 -5.965 -0.940 286 1HD1 LEU 117 1HD1 LEU 117 135.065 -3.905 0.150 287 2HD1 LEU 117 2HD1 LEU 117 134.617 -5.528 -0.374 288 3HD1 LEU 117 3HD1 LEU 117 135.264 -4.373 -1.539 289 1HD2 LEU 117 1HD2 LEU 117 138.515 -4.188 0.365 290 2HD2 LEU 117 2HD2 LEU 117 137.224 -3.122 -0.193 291 3HD2 LEU 117 3HD2 LEU 117 138.145 -4.078 -1.355 292 H LYS 118 H LYS 118 137.710 -8.760 2.032 293 HA LYS 118 HA LYS 118 138.444 -9.719 -0.502 294 1HB LYS 118 2HB LYS 118 139.459 -9.998 1.989 295 2HB LYS 118 1HB LYS 118 138.718 -11.579 1.782 296 1HG LYS 118 2HG LYS 118 140.455 -10.511 -0.386 297 2HG LYS 118 1HG LYS 118 141.202 -11.148 1.080 298 1HD LYS 118 2HD LYS 118 139.207 -12.990 0.302 299 2HD LYS 118 1HD LYS 118 140.110 -12.566 -1.154 300 1HE LYS 118 2HE LYS 118 141.425 -13.386 1.427 301 2HE LYS 118 1HE LYS 118 140.997 -14.531 0.156 302 1HZ LYS 118 1HZ LYS 118 142.531 -12.211 -0.685 303 2HZ LYS 118 2HZ LYS 118 142.666 -13.829 -1.159 304 3HZ LYS 118 3HZ LYS 118 143.353 -13.315 0.300 305 H ILE 119 H ILE 119 136.009 -10.789 1.795 306 HA ILE 119 HA ILE 119 135.379 -13.206 0.401 307 HB ILE 119 HB ILE 119 133.635 -11.735 2.376 308 1HG1 ILE 119 2HG1 ILE 119 135.502 -13.980 3.087 309 2HG1 ILE 119 1HG1 ILE 119 136.067 -12.313 3.085 310 1HG2 ILE 119 1HG2 ILE 119 132.831 -13.727 0.874 311 2HG2 ILE 119 2HG2 ILE 119 132.400 -13.658 2.583 312 3HG2 ILE 119 3HG2 ILE 119 133.722 -14.695 2.049 313 1HD1 ILE 119 1HD1 ILE 119 133.787 -12.112 4.548 314 2HD1 ILE 119 2HD1 ILE 119 135.407 -12.317 5.214 315 3HD1 ILE 119 3HD1 ILE 119 134.361 -13.721 4.989 316 H MET 120 H MET 120 134.248 -9.901 0.304 317 HA MET 120 HA MET 120 131.859 -10.385 -1.150 318 1HB MET 120 2HB MET 120 132.330 -8.309 0.144 319 2HB MET 120 1HB MET 120 133.516 -7.858 -1.073 320 1HG MET 120 2HG MET 120 131.431 -8.221 -2.675 321 2HG MET 120 1HG MET 120 130.559 -7.833 -1.193 322 1HE MET 120 1HE MET 120 131.769 -6.328 -4.349 323 2HE MET 120 2HE MET 120 133.347 -6.702 -3.658 324 3HE MET 120 3HE MET 120 132.868 -5.023 -3.905 325 H LEU 121 H LEU 121 135.145 -9.473 -2.119 326 HA LEU 121 HA LEU 121 134.504 -9.379 -4.909 327 1HB LEU 121 2HB LEU 121 137.023 -9.230 -3.302 328 2HB LEU 121 1HB LEU 121 137.116 -9.473 -5.036 329 HG LEU 121 HG LEU 121 135.539 -7.188 -3.901 330 1HD1 LEU 121 1HD1 LEU 121 138.509 -7.345 -4.332 331 2HD1 LEU 121 2HD1 LEU 121 137.637 -6.840 -2.884 332 3HD1 LEU 121 3HD1 LEU 121 137.623 -5.820 -4.323 333 1HD2 LEU 121 1HD2 LEU 121 135.460 -6.425 -6.023 334 2HD2 LEU 121 2HD2 LEU 121 135.722 -8.123 -6.416 335 3HD2 LEU 121 3HD2 LEU 121 137.081 -7.001 -6.406 336 H GLN 122 H GLN 122 135.639 -11.807 -2.686 337 HA GLN 122 HA GLN 122 136.665 -13.643 -4.573 338 1HB GLN 122 2HB GLN 122 135.810 -13.754 -1.728 339 2HB GLN 122 1HB GLN 122 135.915 -15.282 -2.593 340 1HG GLN 122 2HG GLN 122 138.235 -13.549 -2.969 341 2HG GLN 122 1HG GLN 122 137.970 -14.046 -1.297 342 1HE2 GLN 122 1HE2 GLN 122 139.691 -15.413 -1.157 343 2HE2 GLN 122 2HE2 GLN 122 139.816 -16.889 -2.048 344 H ALA 123 H ALA 123 133.438 -12.885 -3.519 345 HA ALA 123 HA ALA 123 132.157 -15.263 -4.350 346 1HB ALA 123 1HB ALA 123 130.746 -14.108 -3.010 347 2HB ALA 123 2HB ALA 123 130.173 -13.482 -4.555 348 3HB ALA 123 3HB ALA 123 131.305 -12.538 -3.588 349 H THR 124 H THR 124 132.873 -12.224 -6.010 350 HA THR 124 HA THR 124 131.389 -12.663 -8.336 351 HB THR 124 HB THR 124 132.891 -11.037 -9.400 352 HG1 THR 124 HG1 THR 124 134.837 -11.822 -8.422 353 1HG2 THR 124 1HG2 THR 124 131.936 -9.363 -8.319 354 2HG2 THR 124 2HG2 THR 124 132.873 -9.692 -6.862 355 3HG2 THR 124 3HG2 THR 124 131.351 -10.536 -7.141 356 H GLY 125 H GLY 125 132.569 -12.877 -10.562 357 1HA GLY 125 2HA GLY 125 134.121 -15.375 -10.413 358 2HA GLY 125 1HA GLY 125 133.134 -14.875 -11.776 359 H GLU 126 H GLU 126 135.403 -12.803 -10.064 360 HA GLU 126 HA GLU 126 136.956 -12.591 -12.551 361 1HB GLU 126 2HB GLU 126 136.444 -10.670 -10.298 362 2HB GLU 126 1HB GLU 126 137.812 -10.448 -11.380 363 1HG GLU 126 2HG GLU 126 136.361 -10.244 -13.272 364 2HG GLU 126 1HG GLU 126 134.955 -10.665 -12.294 365 H THR 127 H THR 127 139.321 -11.944 -12.125 366 HA THR 127 HA THR 127 140.394 -13.809 -10.122 367 HB THR 127 HB THR 127 142.388 -13.945 -11.487 368 HG1 THR 127 HG1 THR 127 141.135 -12.001 -13.126 369 1HG2 THR 127 1HG2 THR 127 140.864 -14.218 -13.827 370 2HG2 THR 127 2HG2 THR 127 139.828 -14.695 -12.482 371 3HG2 THR 127 3HG2 THR 127 141.389 -15.479 -12.714 372 H ILE 128 H ILE 128 139.601 -11.473 -9.041 373 HA ILE 128 HA ILE 128 141.559 -9.424 -9.030 374 HB ILE 128 HB ILE 128 139.608 -10.021 -6.810 375 1HG1 ILE 128 2HG1 ILE 128 138.587 -7.988 -8.470 376 2HG1 ILE 128 1HG1 ILE 128 139.095 -9.279 -9.554 377 1HG2 ILE 128 1HG2 ILE 128 141.039 -8.369 -6.043 378 2HG2 ILE 128 2HG2 ILE 128 139.708 -7.437 -6.731 379 3HG2 ILE 128 3HG2 ILE 128 141.208 -7.633 -7.637 380 1HD1 ILE 128 1HD1 ILE 128 136.715 -9.378 -8.786 381 2HD1 ILE 128 2HD1 ILE 128 137.326 -9.729 -7.169 382 3HD1 ILE 128 3HD1 ILE 128 137.661 -10.839 -8.498 383 H THR 129 H THR 129 143.092 -8.891 -7.436 384 HA THR 129 HA THR 129 144.017 -11.195 -5.851 385 HB THR 129 HB THR 129 146.241 -9.854 -5.912 386 HG1 THR 129 HG1 THR 129 146.427 -8.537 -7.745 387 1HG2 THR 129 1HG2 THR 129 147.011 -11.097 -7.648 388 2HG2 THR 129 2HG2 THR 129 145.578 -10.813 -8.637 389 3HG2 THR 129 3HG2 THR 129 145.515 -11.964 -7.302 390 H GLU 130 H GLU 130 145.359 -10.501 -3.898 391 HA GLU 130 HA GLU 130 143.718 -9.082 -2.122 392 1HB GLU 130 2HB GLU 130 145.864 -10.748 -1.858 393 2HB GLU 130 1HB GLU 130 146.573 -9.203 -1.413 394 1HG GLU 130 2HG GLU 130 144.201 -9.217 -0.026 395 2HG GLU 130 1HG GLU 130 144.721 -10.900 0.045 396 H ASP 131 H ASP 131 146.360 -8.062 -4.163 397 HA ASP 131 HA ASP 131 146.892 -5.581 -2.924 398 1HB ASP 131 2HB ASP 131 148.185 -6.925 -4.796 399 2HB ASP 131 1HB ASP 131 147.220 -5.922 -5.876 400 H ASP 132 H ASP 132 144.597 -6.582 -5.397 401 HA ASP 132 HA ASP 132 143.747 -3.979 -6.129 402 1HB ASP 132 2HB ASP 132 142.715 -6.749 -6.530 403 2HB ASP 132 1HB ASP 132 141.615 -5.405 -6.817 404 H ILE 133 H ILE 133 142.542 -6.347 -3.790 405 HA ILE 133 HA ILE 133 140.232 -4.952 -3.013 406 HB ILE 133 HB ILE 133 141.888 -6.777 -1.269 407 1HG1 ILE 133 2HG1 ILE 133 139.516 -7.838 -2.672 408 2HG1 ILE 133 1HG1 ILE 133 140.890 -7.466 -3.706 409 1HG2 ILE 133 1HG2 ILE 133 139.761 -7.227 -0.146 410 2HG2 ILE 133 2HG2 ILE 133 138.957 -6.069 -1.204 411 3HG2 ILE 133 3HG2 ILE 133 140.186 -5.517 -0.064 412 1HD1 ILE 133 1HD1 ILE 133 141.715 -8.908 -1.351 413 2HD1 ILE 133 2HD1 ILE 133 141.963 -9.289 -3.054 414 3HD1 ILE 133 3HD1 ILE 133 140.474 -9.781 -2.248 415 H GLU 134 H GLU 134 143.583 -4.618 -2.092 416 HA GLU 134 HA GLU 134 143.178 -3.092 0.259 417 1HB GLU 134 2HB GLU 134 145.450 -3.791 -1.486 418 2HB GLU 134 1HB GLU 134 145.622 -2.272 -0.617 419 1HG GLU 134 2HG GLU 134 145.090 -3.520 1.486 420 2HG GLU 134 1HG GLU 134 145.186 -5.008 0.547 421 H GLU 135 H GLU 135 143.443 -2.268 -3.143 422 HA GLU 135 HA GLU 135 143.734 0.524 -2.822 423 1HB GLU 135 2HB GLU 135 142.804 -1.221 -5.083 424 2HB GLU 135 1HB GLU 135 142.746 0.531 -5.214 425 1HG GLU 135 2HG GLU 135 145.260 0.321 -4.444 426 2HG GLU 135 1HG GLU 135 145.084 -1.293 -5.131 427 H LEU 136 H LEU 136 140.945 -1.596 -2.932 428 HA LEU 136 HA LEU 136 138.946 0.332 -3.315 429 1HB LEU 136 2HB LEU 136 139.054 -2.424 -2.218 430 2HB LEU 136 1HB LEU 136 137.631 -1.471 -1.846 431 HG LEU 136 HG LEU 136 137.448 -1.071 -4.371 432 1HD1 LEU 136 1HD1 LEU 136 139.874 -2.177 -4.524 433 2HD1 LEU 136 2HD1 LEU 136 138.704 -2.242 -5.843 434 3HD1 LEU 136 3HD1 LEU 136 138.889 -3.621 -4.758 435 1HD2 LEU 136 1HD2 LEU 136 135.914 -2.725 -4.452 436 2HD2 LEU 136 2HD2 LEU 136 136.290 -2.862 -2.735 437 3HD2 LEU 136 3HD2 LEU 136 137.050 -3.953 -3.894 438 H MET 137 H MET 137 140.636 -0.739 -0.429 439 HA MET 137 HA MET 137 138.935 0.682 1.389 440 1HB MET 137 2HB MET 137 141.706 -0.455 1.803 441 2HB MET 137 1HB MET 137 140.635 0.116 3.075 442 1HG MET 137 2HG MET 137 139.189 -1.770 1.555 443 2HG MET 137 1HG MET 137 140.782 -2.457 1.869 444 1HE MET 137 1HE MET 137 137.263 -2.795 4.098 445 2HE MET 137 2HE MET 137 137.503 -1.701 2.735 446 3HE MET 137 3HE MET 137 137.482 -1.068 4.380 447 H LYS 138 H LYS 138 141.922 1.347 -0.313 448 HA LYS 138 HA LYS 138 142.765 3.600 1.123 449 1HB LYS 138 2HB LYS 138 143.129 2.939 -1.805 450 2HB LYS 138 1HB LYS 138 144.000 4.203 -0.948 451 1HG LYS 138 2HG LYS 138 144.351 1.880 0.573 452 2HG LYS 138 1HG LYS 138 144.552 1.391 -1.112 453 1HD LYS 138 2HD LYS 138 145.962 3.740 0.148 454 2HD LYS 138 1HD LYS 138 146.662 2.126 0.008 455 1HE LYS 138 2HE LYS 138 146.600 2.229 -2.376 456 2HE LYS 138 1HE LYS 138 145.656 3.718 -2.343 457 1HZ LYS 138 1HZ LYS 138 148.512 3.319 -1.936 458 2HZ LYS 138 2HZ LYS 138 147.773 4.494 -0.971 459 3HZ LYS 138 3HZ LYS 138 147.689 4.612 -2.655 460 H ASP 139 H ASP 139 140.820 3.417 -1.860 461 HA ASP 139 HA ASP 139 140.212 6.238 -1.722 462 1HB ASP 139 2HB ASP 139 139.112 5.954 -3.819 463 2HB ASP 139 1HB ASP 139 140.571 4.973 -3.878 464 H GLY 140 H GLY 140 138.761 3.260 -0.723 465 1HA GLY 140 2HA GLY 140 136.087 4.297 -0.503 466 2HA GLY 140 1HA GLY 140 136.669 2.764 0.131 467 H ASP 141 H ASP 141 138.873 4.079 1.590 468 HA ASP 141 HA ASP 141 137.328 4.818 3.939 469 1HB ASP 141 2HB ASP 141 139.304 3.184 3.933 470 2HB ASP 141 1HB ASP 141 140.329 4.607 3.778 471 H LYS 142 H LYS 142 136.806 6.874 4.251 472 HA LYS 142 HA LYS 142 138.612 8.965 3.248 473 1HB LYS 142 2HB LYS 142 135.679 9.089 3.960 474 2HB LYS 142 1HB LYS 142 136.639 10.469 3.447 475 1HG LYS 142 2HG LYS 142 136.693 8.134 1.654 476 2HG LYS 142 1HG LYS 142 135.149 8.976 1.785 477 1HD LYS 142 2HD LYS 142 136.928 11.045 1.543 478 2HD LYS 142 1HD LYS 142 137.645 9.810 0.507 479 1HE LYS 142 2HE LYS 142 135.306 9.552 -0.492 480 2HE LYS 142 1HE LYS 142 134.928 11.074 0.314 481 1HZ LYS 142 1HZ LYS 142 137.347 11.000 -1.313 482 2HZ LYS 142 2HZ LYS 142 136.228 12.249 -1.094 483 3HZ LYS 142 3HZ LYS 142 135.872 10.969 -2.140 484 H ASN 143 H ASN 143 138.089 7.358 6.029 485 HA ASN 143 HA ASN 143 138.432 9.743 7.718 486 1HB ASN 143 2HB ASN 143 137.382 6.986 8.360 487 2HB ASN 143 1HB ASN 143 137.799 8.164 9.601 488 1HD2 ASN 143 1HD2 ASN 143 135.769 8.449 10.391 489 2HD2 ASN 143 2HD2 ASN 143 134.488 9.181 9.494 490 H ASN 144 H ASN 144 139.970 6.919 6.527 491 HA ASN 144 HA ASN 144 142.082 6.114 6.764 492 1HB ASN 144 2HB ASN 144 142.318 8.850 7.338 493 2HB ASN 144 1HB ASN 144 143.187 8.031 8.632 494 1HD2 ASN 144 1HD2 ASN 144 144.094 5.806 7.229 495 2HD2 ASN 144 2HD2 ASN 144 145.264 6.324 6.067 496 H ASP 145 H ASP 145 139.995 5.293 8.521 497 HA ASP 145 HA ASP 145 141.321 4.912 11.099 498 1HB ASP 145 2HB ASP 145 139.162 4.014 11.855 499 2HB ASP 145 1HB ASP 145 138.973 5.613 11.141 500 H GLY 146 H GLY 146 140.547 3.223 8.178 501 1HA GLY 146 2HA GLY 146 142.003 1.247 7.796 502 2HA GLY 146 1HA GLY 146 141.533 0.721 9.405 503 H ARG 147 H ARG 147 138.732 1.723 8.835 504 HA ARG 147 HA ARG 147 137.892 -0.416 6.995 505 1HB ARG 147 2HB ARG 147 136.430 0.319 9.532 506 2HB ARG 147 1HB ARG 147 136.083 -1.023 8.451 507 1HG ARG 147 2HG ARG 147 138.239 -2.040 9.052 508 2HG ARG 147 1HG ARG 147 138.531 -0.711 10.176 509 1HD ARG 147 2HD ARG 147 136.210 -1.405 11.148 510 2HD ARG 147 1HD ARG 147 136.540 -2.935 10.336 511 HE ARG 147 HE ARG 147 138.760 -2.136 11.902 512 1HH1 ARG 147 1HH1 ARG 147 135.549 -3.474 12.173 513 2HH1 ARG 147 2HH1 ARG 147 135.885 -4.305 13.655 514 1HH2 ARG 147 1HH2 ARG 147 139.204 -3.227 13.850 515 2HH2 ARG 147 2HH2 ARG 147 137.960 -4.164 14.608 516 H ILE 148 H ILE 148 135.374 -0.104 6.608 517 HA ILE 148 HA ILE 148 134.950 2.748 5.987 518 HB ILE 148 HB ILE 148 133.957 0.401 4.364 519 1HG1 ILE 148 2HG1 ILE 148 136.143 2.356 3.635 520 2HG1 ILE 148 1HG1 ILE 148 136.459 0.766 4.323 521 1HG2 ILE 148 1HG2 ILE 148 133.988 3.323 3.640 522 2HG2 ILE 148 2HG2 ILE 148 132.593 2.507 4.345 523 3HG2 ILE 148 3HG2 ILE 148 133.209 2.002 2.771 524 1HD1 ILE 148 1HD1 ILE 148 136.251 -0.201 2.344 525 2HD1 ILE 148 2HD1 ILE 148 136.188 1.414 1.639 526 3HD1 ILE 148 3HD1 ILE 148 134.693 0.576 2.058 527 H ASP 149 H ASP 149 132.964 3.622 6.406 528 HA ASP 149 HA ASP 149 130.875 1.844 7.449 529 1HB ASP 149 2HB ASP 149 130.407 3.474 9.258 530 2HB ASP 149 1HB ASP 149 132.006 2.748 9.400 531 H TYR 150 H TYR 150 128.732 2.876 7.529 532 HA TYR 150 HA TYR 150 127.966 3.956 5.109 533 1HB TYR 150 2HB TYR 150 126.397 2.896 6.655 534 2HB TYR 150 1HB TYR 150 126.580 4.235 7.782 535 HD1 TYR 150 HD1 TYR 150 125.669 3.661 4.198 536 HD2 TYR 150 HD2 TYR 150 124.952 5.867 7.765 537 HE1 TYR 150 HE1 TYR 150 123.815 4.837 3.091 538 HE2 TYR 150 HE2 TYR 150 123.094 7.049 6.668 539 HH TYR 150 HH TYR 150 121.496 6.535 4.695 540 H ASP 151 H ASP 151 129.208 5.591 7.918 541 HA ASP 151 HA ASP 151 128.265 8.186 7.351 542 1HB ASP 151 2HB ASP 151 130.859 7.511 8.744 543 2HB ASP 151 1HB ASP 151 129.893 8.969 8.931 544 H GLU 152 H GLU 152 131.473 6.754 6.727 545 HA GLU 152 HA GLU 152 132.218 8.953 5.025 546 1HB GLU 152 2HB GLU 152 134.249 7.461 4.578 547 2HB GLU 152 1HB GLU 152 134.023 8.053 6.217 548 1HG GLU 152 2HG GLU 152 133.633 6.000 7.054 549 2HG GLU 152 1HG GLU 152 132.810 5.441 5.599 550 H PHE 153 H PHE 153 130.774 5.837 4.610 551 HA PHE 153 HA PHE 153 131.463 5.243 1.980 552 1HB PHE 153 2HB PHE 153 130.070 3.892 3.722 553 2HB PHE 153 1HB PHE 153 128.692 4.723 3.010 554 HD1 PHE 153 HD1 PHE 153 131.240 2.180 2.538 555 HD2 PHE 153 HD2 PHE 153 128.061 4.314 0.683 556 HE1 PHE 153 HE1 PHE 153 131.174 0.505 0.736 557 HE2 PHE 153 HE2 PHE 153 127.989 2.644 -1.123 558 HZ PHE 153 HZ PHE 153 129.546 0.737 -1.097 559 H LEU 154 H LEU 154 128.831 7.262 3.227 560 HA LEU 154 HA LEU 154 127.584 7.819 0.785 561 1HB LEU 154 2HB LEU 154 127.350 8.654 3.481 562 2HB LEU 154 1HB LEU 154 127.450 10.106 2.504 563 HG LEU 154 HG LEU 154 125.130 9.464 2.863 564 1HD1 LEU 154 1HD1 LEU 154 125.989 8.979 0.015 565 2HD1 LEU 154 2HD1 LEU 154 125.750 10.560 0.758 566 3HD1 LEU 154 3HD1 LEU 154 124.383 9.465 0.555 567 1HD2 LEU 154 1HD2 LEU 154 125.956 6.912 2.823 568 2HD2 LEU 154 2HD2 LEU 154 125.334 7.049 1.178 569 3HD2 LEU 154 3HD2 LEU 154 124.281 7.394 2.550 570 H GLU 155 H GLU 155 130.460 9.129 2.250 571 HA GLU 155 HA GLU 155 130.626 11.382 0.460 572 1HB GLU 155 2HB GLU 155 132.430 10.227 2.567 573 2HB GLU 155 1HB GLU 155 133.010 11.476 1.475 574 1HG GLU 155 2HG GLU 155 130.880 12.756 2.236 575 2HG GLU 155 1HG GLU 155 130.924 11.640 3.600 576 H PHE 156 H PHE 156 131.763 8.098 0.544 577 HA PHE 156 HA PHE 156 133.802 8.421 -1.434 578 1HB PHE 156 2HB PHE 156 133.890 6.586 0.183 579 2HB PHE 156 1HB PHE 156 132.386 5.930 -0.458 580 HD1 PHE 156 HD1 PHE 156 132.823 3.935 -1.502 581 HD2 PHE 156 HD2 PHE 156 135.484 7.200 -2.109 582 HE1 PHE 156 HE1 PHE 156 134.097 2.591 -3.122 583 HE2 PHE 156 HE2 PHE 156 136.763 5.862 -3.730 584 HZ PHE 156 HZ PHE 156 136.069 3.554 -4.238 585 H MET 157 H MET 157 130.375 7.941 -1.511 586 HA MET 157 HA MET 157 130.508 7.415 -4.405 587 1HB MET 157 2HB MET 157 129.064 6.108 -2.396 588 2HB MET 157 1HB MET 157 127.872 7.076 -3.252 589 1HG MET 157 2HG MET 157 128.046 5.863 -5.151 590 2HG MET 157 1HG MET 157 129.757 5.523 -4.911 591 1HE MET 157 1HE MET 157 130.133 2.741 -2.729 592 2HE MET 157 2HE MET 157 130.755 3.939 -3.865 593 3HE MET 157 3HE MET 157 130.098 2.416 -4.462 594 H LYS 158 H LYS 158 130.560 10.026 -2.773 595 HA LYS 158 HA LYS 158 128.140 11.326 -3.735 596 1HB LYS 158 2HB LYS 158 128.816 13.222 -2.430 597 2HB LYS 158 1HB LYS 158 129.037 11.779 -1.452 598 1HG LYS 158 2HG LYS 158 131.048 12.638 -1.009 599 2HG LYS 158 1HG LYS 158 131.488 12.030 -2.605 600 1HD LYS 158 2HD LYS 158 131.681 14.094 -3.453 601 2HD LYS 158 1HD LYS 158 130.188 14.641 -2.689 602 1HE LYS 158 2HE LYS 158 131.292 15.618 -1.013 603 2HE LYS 158 1HE LYS 158 132.321 14.209 -0.766 604 1HZ LYS 158 1HZ LYS 158 133.834 15.775 -1.421 605 2HZ LYS 158 2HZ LYS 158 132.766 16.554 -2.477 606 3HZ LYS 158 3HZ LYS 158 133.463 15.076 -2.917 607 H GLY 159 H GLY 159 130.244 10.343 -5.603 608 1HA GLY 159 2HA GLY 159 130.566 11.315 -7.772 609 2HA GLY 159 1HA GLY 159 130.655 12.894 -7.007 610 H VAL 160 H VAL 160 132.330 9.780 -6.568 611 HA VAL 160 HA VAL 160 134.841 11.162 -6.160 612 HB VAL 160 HB VAL 160 135.744 8.782 -5.968 613 1HG1 VAL 160 1HG1 VAL 160 135.271 10.179 -4.033 614 2HG1 VAL 160 2HG1 VAL 160 134.839 8.500 -3.709 615 3HG1 VAL 160 3HG1 VAL 160 133.580 9.681 -4.069 616 1HG2 VAL 160 1HG2 VAL 160 134.229 6.978 -5.724 617 2HG2 VAL 160 2HG2 VAL 160 133.788 7.795 -7.223 618 3HG2 VAL 160 3HG2 VAL 160 132.831 8.053 -5.764 619 H GLU 161 H GLU 161 133.250 9.318 -8.664 620 HA GLU 161 HA GLU 161 135.621 9.680 -10.378 621 1HB GLU 161 2HB GLU 161 133.619 7.445 -10.238 622 2HB GLU 161 1HB GLU 161 134.537 7.739 -11.707 623 1HG GLU 161 2HG GLU 161 136.109 7.587 -9.225 624 2HG GLU 161 1HG GLU 161 135.329 6.092 -9.738 Start of MODEL 4 1 1H MET 81 1HT MET 81 90.192 9.053 -1.069 2 2H MET 81 2HT MET 81 89.110 10.385 -1.136 3 3H MET 81 3HT MET 81 89.543 9.702 0.378 4 HA MET 81 HA MET 81 90.634 11.829 -0.233 5 1HB MET 81 2HB MET 81 91.968 9.280 0.595 6 2HB MET 81 1HB MET 81 92.945 10.729 0.407 7 1HG MET 81 2HG MET 81 90.490 11.044 1.997 8 2HG MET 81 1HG MET 81 91.735 10.010 2.695 9 1HE MET 81 1HE MET 81 92.467 12.880 4.846 10 2HE MET 81 2HE MET 81 91.263 11.638 4.505 11 3HE MET 81 3HE MET 81 90.947 13.316 4.065 12 H VAL 82 H VAL 82 90.878 12.693 -2.229 13 HA VAL 82 HA VAL 82 92.038 11.328 -4.432 14 HB VAL 82 HB VAL 82 91.767 14.317 -4.111 15 1HG1 VAL 82 1HG1 VAL 82 93.064 13.048 -6.056 16 2HG1 VAL 82 2HG1 VAL 82 92.113 14.504 -6.350 17 3HG1 VAL 82 3HG1 VAL 82 91.429 12.916 -6.702 18 1HG2 VAL 82 1HG2 VAL 82 89.585 13.774 -3.786 19 2HG2 VAL 82 2HG2 VAL 82 89.738 12.210 -4.589 20 3HG2 VAL 82 3HG2 VAL 82 89.613 13.686 -5.548 21 H ARG 83 H ARG 83 93.294 13.520 -1.988 22 HA ARG 83 HA ARG 83 96.006 12.955 -2.971 23 1HB ARG 83 2HB ARG 83 96.663 15.264 -2.342 24 2HB ARG 83 1HB ARG 83 95.499 15.213 -3.659 25 1HG ARG 83 2HG ARG 83 93.811 15.446 -1.594 26 2HG ARG 83 1HG ARG 83 95.220 16.266 -0.919 27 1HD ARG 83 2HD ARG 83 95.273 17.825 -2.718 28 2HD ARG 83 1HD ARG 83 94.074 16.906 -3.629 29 HE ARG 83 HE ARG 83 92.435 17.961 -2.445 30 1HH1 ARG 83 1HH1 ARG 83 95.439 18.284 -0.698 31 2HH1 ARG 83 2HH1 ARG 83 94.778 19.353 0.492 32 1HH2 ARG 83 1HH2 ARG 83 91.563 19.368 -0.880 33 2HH2 ARG 83 2HH2 ARG 83 92.577 19.968 0.390 34 H CYS 84 H CYS 84 97.061 11.855 -1.469 35 HA CYS 84 HA CYS 84 97.140 12.779 1.258 36 1HB CYS 84 2HB CYS 84 95.099 11.116 0.834 37 2HB CYS 84 1HB CYS 84 96.367 9.911 1.035 38 HG CYS 84 HG CYS 84 96.058 10.193 3.437 39 H MET 85 H MET 85 98.748 11.642 2.543 40 HA MET 85 HA MET 85 100.806 10.732 2.866 41 1HB MET 85 2HB MET 85 100.149 9.079 0.420 42 2HB MET 85 1HB MET 85 101.414 8.737 1.593 43 1HG MET 85 2HG MET 85 99.978 7.884 3.100 44 2HG MET 85 1HG MET 85 98.697 9.021 2.687 45 1HE MET 85 1HE MET 85 97.837 5.253 2.646 46 2HE MET 85 2HE MET 85 96.560 6.426 2.325 47 3HE MET 85 3HE MET 85 97.793 6.774 3.537 48 H LYS 86 H LYS 86 102.931 11.103 2.277 49 HA LYS 86 HA LYS 86 103.302 13.035 0.173 50 1HB LYS 86 2HB LYS 86 104.929 11.956 2.412 51 2HB LYS 86 1HB LYS 86 105.805 12.607 1.034 52 1HG LYS 86 2HG LYS 86 105.638 14.514 2.222 53 2HG LYS 86 1HG LYS 86 104.073 14.604 1.411 54 1HD LYS 86 2HD LYS 86 103.439 13.097 3.571 55 2HD LYS 86 1HD LYS 86 104.717 14.114 4.242 56 1HE LYS 86 2HE LYS 86 103.456 16.080 3.222 57 2HE LYS 86 1HE LYS 86 102.116 14.958 2.991 58 1HZ LYS 86 1HZ LYS 86 103.370 15.736 5.567 59 2HZ LYS 86 2HZ LYS 86 102.220 14.504 5.411 60 3HZ LYS 86 3HZ LYS 86 101.803 16.101 5.041 61 H ASP 87 H ASP 87 103.807 12.578 -1.857 62 HA ASP 87 HA ASP 87 104.537 9.887 -2.612 63 1HB ASP 87 2HB ASP 87 104.395 10.756 -4.927 64 2HB ASP 87 1HB ASP 87 102.942 11.100 -3.993 65 H ASP 88 H ASP 88 106.408 9.323 -3.818 66 HA ASP 88 HA ASP 88 108.714 11.049 -3.226 67 1HB ASP 88 2HB ASP 88 108.684 8.742 -2.241 68 2HB ASP 88 1HB ASP 88 108.732 8.096 -3.879 69 H SER 89 H SER 89 109.006 12.331 -4.962 70 HA SER 89 HA SER 89 108.881 11.150 -7.641 71 1HB SER 89 2HB SER 89 107.856 13.492 -6.762 72 2HB SER 89 1HB SER 89 109.429 14.047 -7.335 73 HG SER 89 HG SER 89 108.055 14.130 -9.063 74 H LYS 90 H LYS 90 111.080 10.605 -5.793 75 HA LYS 90 HA LYS 90 113.293 11.806 -7.327 76 1HB LYS 90 2HB LYS 90 113.078 11.070 -4.423 77 2HB LYS 90 1HB LYS 90 114.648 11.155 -5.210 78 1HG LYS 90 2HG LYS 90 113.581 13.522 -5.967 79 2HG LYS 90 1HG LYS 90 112.827 13.303 -4.385 80 1HD LYS 90 2HD LYS 90 115.081 12.900 -3.427 81 2HD LYS 90 1HD LYS 90 115.780 13.268 -5.005 82 1HE LYS 90 2HE LYS 90 114.906 15.511 -4.921 83 2HE LYS 90 1HE LYS 90 114.039 15.158 -3.427 84 1HZ LYS 90 1HZ LYS 90 116.000 15.092 -2.214 85 2HZ LYS 90 2HZ LYS 90 116.258 16.385 -3.273 86 3HZ LYS 90 3HZ LYS 90 116.974 14.885 -3.583 87 H GLY 91 H GLY 91 115.041 10.466 -7.900 88 1HA GLY 91 2HA GLY 91 114.296 7.769 -8.500 89 2HA GLY 91 1HA GLY 91 115.841 8.525 -8.854 90 H LYS 92 H LYS 92 117.506 8.449 -7.309 91 HA LYS 92 HA LYS 92 117.131 6.340 -5.292 92 1HB LYS 92 2HB LYS 92 119.675 7.313 -6.605 93 2HB LYS 92 1HB LYS 92 119.571 6.023 -5.414 94 1HG LYS 92 2HG LYS 92 119.655 4.826 -7.363 95 2HG LYS 92 1HG LYS 92 117.912 4.965 -7.129 96 1HD LYS 92 2HD LYS 92 118.534 7.250 -8.535 97 2HD LYS 92 1HD LYS 92 119.611 6.044 -9.241 98 1HE LYS 92 2HE LYS 92 116.611 6.015 -9.084 99 2HE LYS 92 1HE LYS 92 117.634 5.950 -10.518 100 1HZ LYS 92 1HZ LYS 92 116.855 3.821 -8.698 101 2HZ LYS 92 2HZ LYS 92 118.448 3.766 -9.261 102 3HZ LYS 92 3HZ LYS 92 117.164 3.766 -10.360 103 H THR 93 H THR 93 116.975 7.011 -3.267 104 HA THR 93 HA THR 93 117.908 9.660 -2.524 105 HB THR 93 HB THR 93 115.688 8.941 -1.789 106 HG1 THR 93 HG1 THR 93 115.912 9.822 0.134 107 1HG2 THR 93 1HG2 THR 93 115.405 7.243 -0.071 108 2HG2 THR 93 2HG2 THR 93 117.115 6.830 -0.190 109 3HG2 THR 93 3HG2 THR 93 116.042 6.549 -1.561 110 H GLU 94 H GLU 94 118.700 9.585 -0.022 111 HA GLU 94 HA GLU 94 121.332 8.568 -0.139 112 1HB GLU 94 2HB GLU 94 120.602 10.556 1.193 113 2HB GLU 94 1HB GLU 94 119.816 9.459 2.319 114 1HG GLU 94 2HG GLU 94 122.093 8.376 2.613 115 2HG GLU 94 1HG GLU 94 122.746 9.780 1.769 116 H GLU 95 H GLU 95 118.361 7.362 1.284 117 HA GLU 95 HA GLU 95 119.427 5.357 2.918 118 1HB GLU 95 2HB GLU 95 116.968 6.248 2.594 119 2HB GLU 95 1HB GLU 95 116.857 4.911 1.459 120 1HG GLU 95 2HG GLU 95 116.054 4.047 3.465 121 2HG GLU 95 1HG GLU 95 117.708 3.445 3.359 122 H GLU 96 H GLU 96 118.886 5.482 -0.527 123 HA GLU 96 HA GLU 96 118.983 2.756 -1.135 124 1HB GLU 96 2HB GLU 96 120.041 5.049 -2.799 125 2HB GLU 96 1HB GLU 96 119.618 3.447 -3.389 126 1HG GLU 96 2HG GLU 96 117.720 5.456 -2.199 127 2HG GLU 96 1HG GLU 96 117.884 5.060 -3.909 128 H LEU 97 H LEU 97 121.543 5.068 -0.487 129 HA LEU 97 HA LEU 97 123.695 3.437 -1.363 130 1HB LEU 97 2HB LEU 97 123.598 5.750 0.571 131 2HB LEU 97 1HB LEU 97 125.086 4.988 0.037 132 HG LEU 97 HG LEU 97 123.174 6.101 -1.983 133 1HD1 LEU 97 1HD1 LEU 97 124.914 7.613 -0.110 134 2HD1 LEU 97 2HD1 LEU 97 123.364 8.056 -0.827 135 3HD1 LEU 97 3HD1 LEU 97 124.838 8.141 -1.790 136 1HD2 LEU 97 1HD2 LEU 97 125.989 5.207 -1.868 137 2HD2 LEU 97 2HD2 LEU 97 125.641 6.602 -2.890 138 3HD2 LEU 97 3HD2 LEU 97 124.805 5.073 -3.169 139 H SER 98 H SER 98 121.915 3.701 1.631 140 HA SER 98 HA SER 98 123.758 2.307 3.274 141 1HB SER 98 2HB SER 98 122.090 3.657 4.341 142 2HB SER 98 1HB SER 98 120.785 2.793 3.527 143 HG SER 98 HG SER 98 120.831 1.817 5.440 144 H ASP 99 H ASP 99 121.017 1.292 1.296 145 HA ASP 99 HA ASP 99 120.865 -1.372 2.148 146 1HB ASP 99 2HB ASP 99 120.167 -0.074 -0.489 147 2HB ASP 99 1HB ASP 99 119.830 -1.767 -0.135 148 H LEU 100 H LEU 100 122.907 0.190 -0.253 149 HA LEU 100 HA LEU 100 123.974 -2.210 -1.348 150 1HB LEU 100 2HB LEU 100 124.771 0.677 -1.431 151 2HB LEU 100 1HB LEU 100 125.842 -0.551 -2.076 152 HG LEU 100 HG LEU 100 123.053 -0.677 -3.037 153 1HD1 LEU 100 1HD1 LEU 100 123.943 1.142 -4.784 154 2HD1 LEU 100 2HD1 LEU 100 124.726 1.741 -3.322 155 3HD1 LEU 100 3HD1 LEU 100 122.973 1.557 -3.373 156 1HD2 LEU 100 1HD2 LEU 100 125.365 -0.542 -4.860 157 2HD2 LEU 100 2HD2 LEU 100 124.003 -1.663 -4.829 158 3HD2 LEU 100 3HD2 LEU 100 125.357 -1.891 -3.723 159 H PHE 101 H PHE 101 124.804 -0.181 1.370 160 HA PHE 101 HA PHE 101 127.418 -1.211 1.795 161 1HB PHE 101 2HB PHE 101 126.692 0.937 2.735 162 2HB PHE 101 1HB PHE 101 125.512 0.106 3.744 163 HD1 PHE 101 HD1 PHE 101 129.087 0.737 3.199 164 HD2 PHE 101 HD2 PHE 101 126.166 -1.024 5.743 165 HE1 PHE 101 HE1 PHE 101 130.781 0.491 4.965 166 HE2 PHE 101 HE2 PHE 101 127.854 -1.272 7.515 167 HZ PHE 101 HZ PHE 101 130.165 -0.514 7.128 168 H ARG 102 H ARG 102 124.214 -2.201 2.802 169 HA ARG 102 HA ARG 102 125.052 -4.050 4.794 170 1HB ARG 102 2HB ARG 102 122.525 -3.370 3.415 171 2HB ARG 102 1HB ARG 102 122.633 -5.007 4.048 172 1HG ARG 102 2HG ARG 102 123.238 -2.597 5.730 173 2HG ARG 102 1HG ARG 102 121.609 -3.254 5.560 174 1HD ARG 102 2HD ARG 102 122.123 -5.186 6.695 175 2HD ARG 102 1HD ARG 102 123.836 -5.091 6.296 176 HE ARG 102 HE ARG 102 124.164 -3.904 8.215 177 1HH1 ARG 102 1HH1 ARG 102 120.778 -3.741 7.388 178 2HH1 ARG 102 2HH1 ARG 102 120.332 -2.920 8.846 179 1HH2 ARG 102 1HH2 ARG 102 123.580 -2.827 10.134 180 2HH2 ARG 102 2HH2 ARG 102 121.923 -2.401 10.405 181 H MET 103 H MET 103 124.572 -4.237 1.333 182 HA MET 103 HA MET 103 124.670 -7.091 1.188 183 1HB MET 103 2HB MET 103 124.688 -4.843 -0.767 184 2HB MET 103 1HB MET 103 125.280 -6.407 -1.312 185 1HG MET 103 2HG MET 103 122.893 -6.952 0.023 186 2HG MET 103 1HG MET 103 122.580 -5.498 -0.921 187 1HE MET 103 1HE MET 103 123.120 -5.197 -3.275 188 2HE MET 103 2HE MET 103 122.962 -6.450 -4.507 189 3HE MET 103 3HE MET 103 124.520 -6.169 -3.730 190 H PHE 104 H PHE 104 127.023 -4.513 1.110 191 HA PHE 104 HA PHE 104 129.169 -6.181 0.165 192 1HB PHE 104 2HB PHE 104 129.103 -3.395 1.328 193 2HB PHE 104 1HB PHE 104 130.587 -4.188 0.811 194 HD1 PHE 104 HD1 PHE 104 128.802 -1.654 -0.166 195 HD2 PHE 104 HD2 PHE 104 129.718 -5.537 -1.646 196 HE1 PHE 104 HE1 PHE 104 128.416 -0.865 -2.464 197 HE2 PHE 104 HE2 PHE 104 129.335 -4.756 -3.947 198 HZ PHE 104 HZ PHE 104 128.683 -2.417 -4.359 199 H ASP 105 H ASP 105 128.119 -4.877 3.280 200 HA ASP 105 HA ASP 105 130.303 -5.798 4.799 201 1HB ASP 105 2HB ASP 105 128.334 -4.153 5.393 202 2HB ASP 105 1HB ASP 105 127.562 -5.618 5.991 203 H LYS 106 H LYS 106 130.878 -7.785 5.363 204 HA LYS 106 HA LYS 106 129.223 -10.037 4.707 205 1HB LYS 106 2HB LYS 106 131.994 -9.562 5.302 206 2HB LYS 106 1HB LYS 106 131.403 -10.883 6.298 207 1HG LYS 106 2HG LYS 106 131.195 -10.718 3.299 208 2HG LYS 106 1HG LYS 106 132.362 -11.684 4.206 209 1HD LYS 106 2HD LYS 106 129.484 -12.061 4.828 210 2HD LYS 106 1HD LYS 106 130.079 -12.701 3.294 211 1HE LYS 106 2HE LYS 106 131.560 -14.162 4.337 212 2HE LYS 106 1HE LYS 106 131.530 -13.261 5.853 213 1HZ LYS 106 1HZ LYS 106 129.687 -15.275 4.856 214 2HZ LYS 106 2HZ LYS 106 128.988 -13.977 5.684 215 3HZ LYS 106 3HZ LYS 106 130.160 -14.932 6.442 216 H ASN 107 H ASN 107 130.596 -8.780 7.747 217 HA ASN 107 HA ASN 107 129.045 -10.572 9.360 218 1HB ASN 107 2HB ASN 107 130.812 -8.212 9.985 219 2HB ASN 107 1HB ASN 107 129.903 -9.052 11.238 220 1HD2 ASN 107 1HD2 ASN 107 130.203 -11.481 11.209 221 2HD2 ASN 107 2HD2 ASN 107 131.818 -12.051 10.980 222 H ALA 108 H ALA 108 128.608 -7.384 8.070 223 HA ALA 108 HA ALA 108 126.839 -5.953 8.090 224 1HB ALA 108 1HB ALA 108 125.690 -8.391 8.039 225 2HB ALA 108 2HB ALA 108 124.783 -6.878 8.029 226 3HB ALA 108 3HB ALA 108 125.017 -7.756 9.541 227 H ASP 109 H ASP 109 128.700 -5.800 10.178 228 HA ASP 109 HA ASP 109 127.156 -5.330 12.607 229 1HB ASP 109 2HB ASP 109 129.363 -4.906 13.651 230 2HB ASP 109 1HB ASP 109 129.274 -6.486 12.877 231 H GLY 110 H GLY 110 128.494 -3.599 9.949 232 1HA GLY 110 2HA GLY 110 127.444 -1.332 9.731 233 2HA GLY 110 1HA GLY 110 128.011 -1.052 11.369 234 H TYR 111 H TYR 111 130.342 -2.866 9.905 235 HA TYR 111 HA TYR 111 131.686 -0.632 8.598 236 1HB TYR 111 2HB TYR 111 133.035 -2.189 10.810 237 2HB TYR 111 1HB TYR 111 133.686 -0.814 9.926 238 HD1 TYR 111 HD1 TYR 111 133.004 1.445 10.458 239 HD2 TYR 111 HD2 TYR 111 131.330 -1.873 12.530 240 HE1 TYR 111 HE1 TYR 111 132.103 2.971 12.162 241 HE2 TYR 111 HE2 TYR 111 130.422 -0.356 14.240 242 HH TYR 111 HH TYR 111 130.064 2.844 13.854 243 H ILE 112 H ILE 112 133.577 -1.294 7.370 244 HA ILE 112 HA ILE 112 133.639 -4.176 6.770 245 HB ILE 112 HB ILE 112 133.862 -2.021 4.671 246 1HG1 ILE 112 2HG1 ILE 112 131.494 -3.835 5.146 247 2HG1 ILE 112 1HG1 ILE 112 131.581 -2.190 5.769 248 1HG2 ILE 112 1HG2 ILE 112 135.011 -4.092 4.129 249 2HG2 ILE 112 2HG2 ILE 112 133.585 -3.893 3.111 250 3HG2 ILE 112 3HG2 ILE 112 133.547 -5.013 4.472 251 1HD1 ILE 112 1HD1 ILE 112 131.541 -3.063 2.896 252 2HD1 ILE 112 2HD1 ILE 112 131.888 -1.413 3.413 253 3HD1 ILE 112 3HD1 ILE 112 130.318 -2.136 3.766 254 H ASP 113 H ASP 113 135.626 -5.025 6.150 255 HA ASP 113 HA ASP 113 137.929 -3.203 6.255 256 1HB ASP 113 2HB ASP 113 139.146 -5.041 7.527 257 2HB ASP 113 1HB ASP 113 137.922 -4.153 8.431 258 H LEU 114 H LEU 114 139.995 -4.593 5.661 259 HA LEU 114 HA LEU 114 139.743 -5.312 2.974 260 1HB LEU 114 2HB LEU 114 141.868 -5.598 5.040 261 2HB LEU 114 1HB LEU 114 142.042 -6.508 3.553 262 HG LEU 114 HG LEU 114 141.494 -3.574 3.405 263 1HD1 LEU 114 1HD1 LEU 114 144.323 -4.405 3.408 264 2HD1 LEU 114 2HD1 LEU 114 143.520 -4.371 4.976 265 3HD1 LEU 114 3HD1 LEU 114 143.573 -2.916 3.981 266 1HD2 LEU 114 1HD2 LEU 114 142.179 -3.768 1.263 267 2HD2 LEU 114 2HD2 LEU 114 141.732 -5.456 1.504 268 3HD2 LEU 114 3HD2 LEU 114 143.418 -4.961 1.651 269 H GLU 115 H GLU 115 139.456 -7.208 5.884 270 HA GLU 115 HA GLU 115 139.687 -9.759 4.623 271 1HB GLU 115 2HB GLU 115 139.449 -8.767 7.273 272 2HB GLU 115 1HB GLU 115 138.143 -9.917 7.028 273 1HG GLU 115 2HG GLU 115 139.990 -11.452 6.080 274 2HG GLU 115 1HG GLU 115 141.094 -10.361 6.917 275 H GLU 116 H GLU 116 136.912 -7.890 5.845 276 HA GLU 116 HA GLU 116 134.979 -9.728 4.847 277 1HB GLU 116 2HB GLU 116 134.943 -7.068 6.151 278 2HB GLU 116 1HB GLU 116 133.536 -7.479 5.179 279 1HG GLU 116 2HG GLU 116 132.733 -8.612 6.894 280 2HG GLU 116 1HG GLU 116 134.081 -9.738 6.746 281 H LEU 117 H LEU 117 136.697 -7.059 3.475 282 HA LEU 117 HA LEU 117 134.839 -6.602 1.329 283 1HB LEU 117 2HB LEU 117 136.500 -4.931 2.350 284 2HB LEU 117 1HB LEU 117 137.715 -5.734 1.374 285 HG LEU 117 HG LEU 117 136.264 -5.210 -0.643 286 1HD1 LEU 117 1HD1 LEU 117 134.166 -4.673 0.109 287 2HD1 LEU 117 2HD1 LEU 117 134.859 -3.066 -0.110 288 3HD1 LEU 117 3HD1 LEU 117 134.771 -3.778 1.502 289 1HD2 LEU 117 1HD2 LEU 117 136.910 -2.690 -0.474 290 2HD2 LEU 117 2HD2 LEU 117 138.171 -3.923 -0.523 291 3HD2 LEU 117 3HD2 LEU 117 137.710 -3.192 1.015 292 H LYS 118 H LYS 118 137.741 -8.505 1.826 293 HA LYS 118 HA LYS 118 138.168 -9.106 -0.928 294 1HB LYS 118 2HB LYS 118 139.749 -10.783 -0.118 295 2HB LYS 118 1HB LYS 118 139.978 -9.253 0.716 296 1HG LYS 118 2HG LYS 118 139.213 -10.066 2.714 297 2HG LYS 118 1HG LYS 118 138.224 -11.314 1.952 298 1HD LYS 118 2HD LYS 118 141.110 -11.572 1.477 299 2HD LYS 118 1HD LYS 118 140.622 -11.755 3.163 300 1HE LYS 118 2HE LYS 118 138.754 -13.277 1.995 301 2HE LYS 118 1HE LYS 118 140.055 -13.468 0.821 302 1HZ LYS 118 1HZ LYS 118 139.869 -15.058 2.855 303 2HZ LYS 118 2HZ LYS 118 140.654 -13.805 3.675 304 3HZ LYS 118 3HZ LYS 118 141.387 -14.524 2.330 305 H ILE 119 H ILE 119 136.216 -10.487 1.605 306 HA ILE 119 HA ILE 119 135.758 -13.000 0.338 307 HB ILE 119 HB ILE 119 134.017 -11.626 2.387 308 1HG1 ILE 119 2HG1 ILE 119 136.012 -13.737 3.088 309 2HG1 ILE 119 1HG1 ILE 119 136.584 -12.089 2.848 310 1HG2 ILE 119 1HG2 ILE 119 132.957 -13.509 1.230 311 2HG2 ILE 119 2HG2 ILE 119 133.258 -13.871 2.929 312 3HG2 ILE 119 3HG2 ILE 119 134.311 -14.543 1.685 313 1HD1 ILE 119 1HD1 ILE 119 134.418 -11.751 4.497 314 2HD1 ILE 119 2HD1 ILE 119 136.109 -11.789 4.996 315 3HD1 ILE 119 3HD1 ILE 119 135.134 -13.257 5.073 316 H MET 120 H MET 120 133.852 -10.005 0.583 317 HA MET 120 HA MET 120 131.663 -10.896 -0.939 318 1HB MET 120 2HB MET 120 131.092 -8.518 -1.171 319 2HB MET 120 1HB MET 120 131.533 -8.919 0.483 320 1HG MET 120 2HG MET 120 133.310 -7.562 0.476 321 2HG MET 120 1HG MET 120 133.762 -7.992 -1.171 322 1HE MET 120 1HE MET 120 132.536 -5.228 -3.308 323 2HE MET 120 2HE MET 120 132.427 -6.988 -3.335 324 3HE MET 120 3HE MET 120 133.927 -6.205 -2.836 325 H LEU 121 H LEU 121 134.780 -9.631 -1.849 326 HA LEU 121 HA LEU 121 134.112 -9.009 -4.548 327 1HB LEU 121 2HB LEU 121 136.206 -8.406 -2.969 328 2HB LEU 121 1HB LEU 121 136.901 -9.739 -3.870 329 HG LEU 121 HG LEU 121 136.311 -8.535 -5.983 330 1HD1 LEU 121 1HD1 LEU 121 134.618 -7.075 -4.550 331 2HD1 LEU 121 2HD1 LEU 121 135.367 -6.471 -6.028 332 3HD1 LEU 121 3HD1 LEU 121 136.023 -6.013 -4.457 333 1HD2 LEU 121 1HD2 LEU 121 138.267 -7.325 -5.984 334 2HD2 LEU 121 2HD2 LEU 121 138.531 -8.398 -4.610 335 3HD2 LEU 121 3HD2 LEU 121 138.025 -6.729 -4.343 336 H GLN 122 H GLN 122 135.044 -11.905 -2.871 337 HA GLN 122 HA GLN 122 136.059 -13.449 -4.946 338 1HB GLN 122 2HB GLN 122 134.366 -14.303 -2.593 339 2HB GLN 122 1HB GLN 122 135.260 -15.404 -3.630 340 1HG GLN 122 2HG GLN 122 137.037 -13.383 -2.714 341 2HG GLN 122 1HG GLN 122 136.155 -14.030 -1.332 342 1HE2 GLN 122 1HE2 GLN 122 136.296 -16.269 -0.889 343 2HE2 GLN 122 2HE2 GLN 122 137.636 -17.204 -1.452 344 H ALA 123 H ALA 123 132.781 -12.500 -4.256 345 HA ALA 123 HA ALA 123 131.367 -14.425 -5.696 346 1HB ALA 123 1HB ALA 123 130.343 -11.664 -5.846 347 2HB ALA 123 2HB ALA 123 130.655 -12.287 -4.225 348 3HB ALA 123 3HB ALA 123 129.551 -13.143 -5.302 349 H THR 124 H THR 124 133.228 -11.689 -6.784 350 HA THR 124 HA THR 124 132.175 -11.350 -9.348 351 HB THR 124 HB THR 124 134.250 -10.251 -9.905 352 HG1 THR 124 HG1 THR 124 135.825 -11.569 -9.197 353 1HG2 THR 124 1HG2 THR 124 133.700 -8.558 -8.604 354 2HG2 THR 124 2HG2 THR 124 134.550 -9.322 -7.260 355 3HG2 THR 124 3HG2 THR 124 132.836 -9.646 -7.519 356 H GLY 125 H GLY 125 133.364 -11.892 -11.410 357 1HA GLY 125 2HA GLY 125 133.763 -14.766 -11.480 358 2HA GLY 125 1HA GLY 125 133.644 -13.695 -12.866 359 H GLU 126 H GLU 126 135.696 -11.874 -11.722 360 HA GLU 126 HA GLU 126 138.000 -13.323 -12.727 361 1HB GLU 126 2HB GLU 126 139.128 -11.072 -12.468 362 2HB GLU 126 1HB GLU 126 137.786 -11.131 -13.602 363 1HG GLU 126 2HG GLU 126 136.343 -10.024 -12.098 364 2HG GLU 126 1HG GLU 126 137.475 -10.219 -10.760 365 H THR 127 H THR 127 140.042 -13.358 -11.606 366 HA THR 127 HA THR 127 139.686 -13.866 -8.770 367 HB THR 127 HB THR 127 142.074 -14.667 -8.930 368 HG1 THR 127 HG1 THR 127 143.116 -14.107 -10.643 369 1HG2 THR 127 1HG2 THR 127 140.719 -16.123 -11.097 370 2HG2 THR 127 2HG2 THR 127 139.849 -16.014 -9.567 371 3HG2 THR 127 3HG2 THR 127 141.465 -16.716 -9.614 372 H ILE 128 H ILE 128 140.183 -12.469 -7.220 373 HA ILE 128 HA ILE 128 141.895 -10.171 -7.905 374 HB ILE 128 HB ILE 128 139.870 -10.290 -5.673 375 1HG1 ILE 128 2HG1 ILE 128 138.764 -10.519 -7.870 376 2HG1 ILE 128 1HG1 ILE 128 138.392 -8.976 -7.107 377 1HG2 ILE 128 1HG2 ILE 128 140.442 -8.174 -5.165 378 2HG2 ILE 128 2HG2 ILE 128 140.711 -7.728 -6.851 379 3HG2 ILE 128 3HG2 ILE 128 141.959 -8.602 -5.959 380 1HD1 ILE 128 1HD1 ILE 128 139.741 -9.549 -9.619 381 2HD1 ILE 128 2HD1 ILE 128 140.590 -8.372 -8.616 382 3HD1 ILE 128 3HD1 ILE 128 138.912 -8.090 -9.079 383 H THR 129 H THR 129 143.630 -9.683 -6.649 384 HA THR 129 HA THR 129 144.388 -11.672 -4.646 385 HB THR 129 HB THR 129 146.642 -10.655 -4.827 386 HG1 THR 129 HG1 THR 129 146.661 -8.693 -5.546 387 1HG2 THR 129 1HG2 THR 129 146.810 -12.277 -6.344 388 2HG2 THR 129 2HG2 THR 129 146.682 -10.972 -7.524 389 3HG2 THR 129 3HG2 THR 129 145.249 -11.893 -7.071 390 H GLU 130 H GLU 130 145.404 -10.963 -2.638 391 HA GLU 130 HA GLU 130 143.809 -9.177 -1.195 392 1HB GLU 130 2HB GLU 130 146.590 -10.191 -0.578 393 2HB GLU 130 1HB GLU 130 145.547 -9.366 0.573 394 1HG GLU 130 2HG GLU 130 143.890 -11.322 -0.197 395 2HG GLU 130 1HG GLU 130 145.437 -12.129 -0.448 396 H ASP 131 H ASP 131 146.752 -8.689 -3.005 397 HA ASP 131 HA ASP 131 147.373 -6.124 -1.930 398 1HB ASP 131 2HB ASP 131 148.857 -7.828 -3.281 399 2HB ASP 131 1HB ASP 131 148.234 -6.949 -4.674 400 H ASP 132 H ASP 132 145.400 -7.280 -4.577 401 HA ASP 132 HA ASP 132 145.062 -4.743 -5.835 402 1HB ASP 132 2HB ASP 132 144.078 -7.471 -6.207 403 2HB ASP 132 1HB ASP 132 142.868 -6.248 -6.578 404 H ILE 133 H ILE 133 143.446 -6.449 -3.256 405 HA ILE 133 HA ILE 133 141.102 -4.806 -3.239 406 HB ILE 133 HB ILE 133 142.168 -6.484 -0.969 407 1HG1 ILE 133 2HG1 ILE 133 140.121 -7.400 -2.974 408 2HG1 ILE 133 1HG1 ILE 133 141.841 -7.634 -3.270 409 1HG2 ILE 133 1HG2 ILE 133 139.301 -6.355 -1.260 410 2HG2 ILE 133 2HG2 ILE 133 139.996 -4.741 -1.114 411 3HG2 ILE 133 3HG2 ILE 133 140.310 -5.951 0.129 412 1HD1 ILE 133 1HD1 ILE 133 141.421 -8.567 -0.682 413 2HD1 ILE 133 2HD1 ILE 133 141.684 -9.526 -2.139 414 3HD1 ILE 133 3HD1 ILE 133 140.042 -9.145 -1.619 415 H GLU 134 H GLU 134 144.290 -4.522 -1.941 416 HA GLU 134 HA GLU 134 143.905 -2.904 0.275 417 1HB GLU 134 2HB GLU 134 146.107 -3.273 -1.692 418 2HB GLU 134 1HB GLU 134 146.186 -1.862 -0.647 419 1HG GLU 134 2HG GLU 134 145.625 -4.463 0.643 420 2HG GLU 134 1HG GLU 134 147.249 -4.207 0.008 421 H GLU 135 H GLU 135 144.069 -2.002 -3.144 422 HA GLU 135 HA GLU 135 143.917 0.799 -2.697 423 1HB GLU 135 2HB GLU 135 143.352 0.907 -5.123 424 2HB GLU 135 1HB GLU 135 144.810 -0.013 -4.777 425 1HG GLU 135 2HG GLU 135 143.905 -1.974 -5.450 426 2HG GLU 135 1HG GLU 135 142.280 -1.531 -4.929 427 H LEU 136 H LEU 136 141.553 -1.742 -2.964 428 HA LEU 136 HA LEU 136 139.278 -0.245 -3.590 429 1HB LEU 136 2HB LEU 136 139.875 -2.900 -2.766 430 2HB LEU 136 1HB LEU 136 138.578 -2.309 -1.747 431 HG LEU 136 HG LEU 136 138.443 -2.104 -4.744 432 1HD1 LEU 136 1HD1 LEU 136 138.768 -4.432 -4.327 433 2HD1 LEU 136 2HD1 LEU 136 137.052 -4.171 -4.641 434 3HD1 LEU 136 3HD1 LEU 136 137.619 -4.407 -2.989 435 1HD2 LEU 136 1HD2 LEU 136 136.907 -0.942 -2.874 436 2HD2 LEU 136 2HD2 LEU 136 136.066 -2.482 -3.041 437 3HD2 LEU 136 3HD2 LEU 136 136.302 -1.450 -4.451 438 H MET 137 H MET 137 140.822 -0.903 -0.482 439 HA MET 137 HA MET 137 138.791 0.530 0.992 440 1HB MET 137 2HB MET 137 141.396 -0.763 1.780 441 2HB MET 137 1HB MET 137 140.418 0.153 2.918 442 1HG MET 137 2HG MET 137 138.603 -1.579 1.802 443 2HG MET 137 1HG MET 137 140.072 -2.548 1.902 444 1HE MET 137 1HE MET 137 137.105 -1.471 3.173 445 2HE MET 137 2HE MET 137 137.367 -0.668 4.720 446 3HE MET 137 3HE MET 137 137.006 -2.394 4.672 447 H LYS 138 H LYS 138 141.941 1.162 -0.361 448 HA LYS 138 HA LYS 138 142.659 3.435 1.094 449 1HB LYS 138 2HB LYS 138 144.057 2.124 -0.587 450 2HB LYS 138 1HB LYS 138 143.235 3.045 -1.839 451 1HG LYS 138 2HG LYS 138 144.154 5.089 -1.063 452 2HG LYS 138 1HG LYS 138 144.753 4.330 0.413 453 1HD LYS 138 2HD LYS 138 145.939 2.806 -1.512 454 2HD LYS 138 1HD LYS 138 145.906 4.392 -2.284 455 1HE LYS 138 2HE LYS 138 147.976 4.126 -1.070 456 2HE LYS 138 1HE LYS 138 146.982 5.354 -0.286 457 1HZ LYS 138 1HZ LYS 138 147.024 2.529 0.603 458 2HZ LYS 138 2HZ LYS 138 146.413 3.869 1.433 459 3HZ LYS 138 3HZ LYS 138 148.082 3.695 1.223 460 H ASP 139 H ASP 139 140.956 3.231 -2.032 461 HA ASP 139 HA ASP 139 140.394 6.039 -2.069 462 1HB ASP 139 2HB ASP 139 139.260 5.631 -4.127 463 2HB ASP 139 1HB ASP 139 140.676 4.584 -4.112 464 H GLY 140 H GLY 140 138.827 3.239 -0.785 465 1HA GLY 140 2HA GLY 140 136.206 4.434 -0.637 466 2HA GLY 140 1HA GLY 140 136.707 2.916 0.094 467 H ASP 141 H ASP 141 139.016 4.256 1.414 468 HA ASP 141 HA ASP 141 137.536 5.222 3.730 469 1HB ASP 141 2HB ASP 141 139.321 3.489 3.970 470 2HB ASP 141 1HB ASP 141 140.502 4.691 3.459 471 H LYS 142 H LYS 142 137.169 7.315 3.964 472 HA LYS 142 HA LYS 142 139.074 9.230 2.791 473 1HB LYS 142 2HB LYS 142 136.167 9.627 3.520 474 2HB LYS 142 1HB LYS 142 137.219 10.846 2.812 475 1HG LYS 142 2HG LYS 142 136.368 8.262 1.524 476 2HG LYS 142 1HG LYS 142 135.782 9.877 1.125 477 1HD LYS 142 2HD LYS 142 138.604 9.963 0.991 478 2HD LYS 142 1HD LYS 142 138.091 8.503 0.143 479 1HE LYS 142 2HE LYS 142 136.375 10.032 -1.013 480 2HE LYS 142 1HE LYS 142 137.367 11.362 -0.416 481 1HZ LYS 142 1HZ LYS 142 139.155 10.714 -1.719 482 2HZ LYS 142 2HZ LYS 142 137.836 10.439 -2.742 483 3HZ LYS 142 3HZ LYS 142 138.572 9.142 -1.945 484 H ASN 143 H ASN 143 137.582 8.159 5.724 485 HA ASN 143 HA ASN 143 138.332 10.503 7.240 486 1HB ASN 143 2HB ASN 143 137.341 7.831 8.250 487 2HB ASN 143 1HB ASN 143 137.392 9.343 9.150 488 1HD2 ASN 143 1HD2 ASN 143 135.268 9.607 9.541 489 2HD2 ASN 143 2HD2 ASN 143 134.070 9.815 8.313 490 H ASN 144 H ASN 144 139.755 7.501 6.351 491 HA ASN 144 HA ASN 144 141.809 6.613 6.735 492 1HB ASN 144 2HB ASN 144 142.445 9.110 6.583 493 2HB ASN 144 1HB ASN 144 142.549 9.052 8.338 494 1HD2 ASN 144 1HD2 ASN 144 144.555 9.394 6.120 495 2HD2 ASN 144 2HD2 ASN 144 145.791 8.243 6.481 496 H ASP 145 H ASP 145 139.918 5.631 8.298 497 HA ASP 145 HA ASP 145 141.000 5.635 11.034 498 1HB ASP 145 2HB ASP 145 138.821 4.739 11.732 499 2HB ASP 145 1HB ASP 145 138.637 6.268 10.877 500 H GLY 146 H GLY 146 140.474 3.694 8.223 501 1HA GLY 146 2HA GLY 146 142.001 1.736 8.109 502 2HA GLY 146 1HA GLY 146 141.424 1.328 9.717 503 H ARG 147 H ARG 147 138.652 2.151 8.950 504 HA ARG 147 HA ARG 147 137.981 -0.044 7.115 505 1HB ARG 147 2HB ARG 147 136.548 0.544 9.711 506 2HB ARG 147 1HB ARG 147 136.117 -0.705 8.551 507 1HG ARG 147 2HG ARG 147 138.477 -1.622 8.963 508 2HG ARG 147 1HG ARG 147 138.477 -0.582 10.389 509 1HD ARG 147 2HD ARG 147 136.094 -1.772 10.701 510 2HD ARG 147 1HD ARG 147 136.941 -3.046 9.825 511 HE ARG 147 HE ARG 147 138.229 -3.427 11.682 512 1HH1 ARG 147 1HH1 ARG 147 136.570 -0.378 12.052 513 2HH1 ARG 147 2HH1 ARG 147 137.037 -0.183 13.709 514 1HH2 ARG 147 1HH2 ARG 147 138.842 -3.172 13.862 515 2HH2 ARG 147 2HH2 ARG 147 138.325 -1.769 14.736 516 H ILE 148 H ILE 148 135.499 0.098 6.619 517 HA ILE 148 HA ILE 148 134.871 2.929 6.080 518 HB ILE 148 HB ILE 148 134.071 0.564 4.379 519 1HG1 ILE 148 2HG1 ILE 148 136.035 2.645 3.498 520 2HG1 ILE 148 1HG1 ILE 148 136.593 1.327 4.524 521 1HG2 ILE 148 1HG2 ILE 148 133.562 3.494 4.263 522 2HG2 ILE 148 2HG2 ILE 148 132.489 2.143 3.891 523 3HG2 ILE 148 3HG2 ILE 148 133.750 2.606 2.750 524 1HD1 ILE 148 1HD1 ILE 148 136.988 0.407 2.495 525 2HD1 ILE 148 2HD1 ILE 148 135.677 1.290 1.713 526 3HD1 ILE 148 3HD1 ILE 148 135.319 -0.119 2.711 527 H ASP 149 H ASP 149 132.804 3.645 6.430 528 HA ASP 149 HA ASP 149 130.834 1.702 7.415 529 1HB ASP 149 2HB ASP 149 130.199 3.262 9.222 530 2HB ASP 149 1HB ASP 149 131.860 2.705 9.388 531 H TYR 150 H TYR 150 128.682 3.112 7.859 532 HA TYR 150 HA TYR 150 127.684 3.791 5.351 533 1HB TYR 150 2HB TYR 150 126.260 3.144 7.245 534 2HB TYR 150 1HB TYR 150 126.654 4.654 8.062 535 HD1 TYR 150 HD1 TYR 150 124.673 5.859 8.174 536 HD2 TYR 150 HD2 TYR 150 125.756 4.011 4.499 537 HE1 TYR 150 HE1 TYR 150 122.771 6.959 7.068 538 HE2 TYR 150 HE2 TYR 150 123.858 5.106 3.382 539 HH TYR 150 HH TYR 150 121.691 6.083 3.966 540 H ASP 151 H ASP 151 128.941 5.869 7.927 541 HA ASP 151 HA ASP 151 128.307 8.333 6.726 542 1HB ASP 151 2HB ASP 151 129.897 7.402 8.988 543 2HB ASP 151 1HB ASP 151 130.610 8.807 8.204 544 H GLU 152 H GLU 152 131.207 6.305 6.550 545 HA GLU 152 HA GLU 152 132.637 8.136 4.880 546 1HB GLU 152 2HB GLU 152 133.197 5.193 5.244 547 2HB GLU 152 1HB GLU 152 134.329 6.445 4.749 548 1HG GLU 152 2HG GLU 152 134.279 7.435 6.932 549 2HG GLU 152 1HG GLU 152 132.998 6.338 7.445 550 H PHE 153 H PHE 153 130.656 5.274 4.346 551 HA PHE 153 HA PHE 153 131.253 4.836 1.649 552 1HB PHE 153 2HB PHE 153 129.708 3.558 3.445 553 2HB PHE 153 1HB PHE 153 128.454 4.380 2.522 554 HD1 PHE 153 HD1 PHE 153 127.596 3.334 0.664 555 HD2 PHE 153 HD2 PHE 153 131.508 2.308 1.989 556 HE1 PHE 153 HE1 PHE 153 127.715 1.580 -1.057 557 HE2 PHE 153 HE2 PHE 153 131.635 0.553 0.268 558 HZ PHE 153 HZ PHE 153 129.736 0.188 -1.257 559 H LEU 154 H LEU 154 129.046 7.085 3.195 560 HA LEU 154 HA LEU 154 127.604 7.859 0.902 561 1HB LEU 154 2HB LEU 154 127.786 8.643 3.648 562 2HB LEU 154 1HB LEU 154 127.833 10.084 2.648 563 HG LEU 154 HG LEU 154 125.552 9.563 3.339 564 1HD1 LEU 154 1HD1 LEU 154 124.564 9.327 0.985 565 2HD1 LEU 154 2HD1 LEU 154 126.239 9.315 0.431 566 3HD1 LEU 154 3HD1 LEU 154 125.611 10.709 1.310 567 1HD2 LEU 154 1HD2 LEU 154 124.625 7.449 2.010 568 2HD2 LEU 154 2HD2 LEU 154 125.263 7.332 3.651 569 3HD2 LEU 154 3HD2 LEU 154 126.277 6.894 2.276 570 H GLU 155 H GLU 155 130.659 8.946 2.260 571 HA GLU 155 HA GLU 155 130.941 11.194 0.522 572 1HB GLU 155 2HB GLU 155 132.847 9.704 2.316 573 2HB GLU 155 1HB GLU 155 133.384 11.031 1.292 574 1HG GLU 155 2HG GLU 155 131.298 12.208 2.494 575 2HG GLU 155 1HG GLU 155 131.762 11.064 3.752 576 H PHE 156 H PHE 156 132.362 7.935 0.576 577 HA PHE 156 HA PHE 156 133.945 8.189 -1.714 578 1HB PHE 156 2HB PHE 156 134.125 6.329 -0.088 579 2HB PHE 156 1HB PHE 156 132.593 5.690 -0.674 580 HD1 PHE 156 HD1 PHE 156 132.968 3.737 -1.815 581 HD2 PHE 156 HD2 PHE 156 135.611 7.018 -2.421 582 HE1 PHE 156 HE1 PHE 156 134.163 2.451 -3.538 583 HE2 PHE 156 HE2 PHE 156 136.810 5.737 -4.147 584 HZ PHE 156 HZ PHE 156 136.084 3.451 -4.707 585 H MET 157 H MET 157 130.548 7.381 -1.333 586 HA MET 157 HA MET 157 130.222 6.785 -4.146 587 1HB MET 157 2HB MET 157 128.738 6.313 -1.748 588 2HB MET 157 1HB MET 157 127.702 7.160 -2.887 589 1HG MET 157 2HG MET 157 127.505 4.730 -3.070 590 2HG MET 157 1HG MET 157 128.087 5.468 -4.560 591 1HE MET 157 1HE MET 157 130.688 3.254 -1.509 592 2HE MET 157 2HE MET 157 129.297 4.293 -1.186 593 3HE MET 157 3HE MET 157 130.859 5.009 -1.584 594 H LYS 158 H LYS 158 130.292 9.579 -2.242 595 HA LYS 158 HA LYS 158 128.432 11.098 -3.862 596 1HB LYS 158 2HB LYS 158 128.615 11.574 -1.467 597 2HB LYS 158 1HB LYS 158 130.317 11.969 -1.662 598 1HG LYS 158 2HG LYS 158 129.885 14.002 -2.578 599 2HG LYS 158 1HG LYS 158 128.370 13.473 -3.314 600 1HD LYS 158 2HD LYS 158 127.933 15.057 -1.525 601 2HD LYS 158 1HD LYS 158 127.314 13.461 -1.094 602 1HE LYS 158 2HE LYS 158 129.756 13.264 -0.032 603 2HE LYS 158 1HE LYS 158 129.557 15.013 0.065 604 1HZ LYS 158 1HZ LYS 158 128.699 13.341 1.936 605 2HZ LYS 158 2HZ LYS 158 127.305 13.421 0.979 606 3HZ LYS 158 3HZ LYS 158 127.966 14.835 1.629 607 H GLY 159 H GLY 159 130.114 10.158 -5.640 608 1HA GLY 159 2HA GLY 159 131.080 11.346 -7.487 609 2HA GLY 159 1HA GLY 159 131.758 12.495 -6.344 610 H VAL 160 H VAL 160 132.134 9.414 -7.893 611 HA VAL 160 HA VAL 160 134.687 8.964 -6.522 612 HB VAL 160 HB VAL 160 133.463 7.061 -8.500 613 1HG1 VAL 160 1HG1 VAL 160 134.619 5.558 -6.596 614 2HG1 VAL 160 2HG1 VAL 160 135.608 7.013 -6.474 615 3HG1 VAL 160 3HG1 VAL 160 135.478 6.161 -8.013 616 1HG2 VAL 160 1HG2 VAL 160 132.798 6.123 -5.959 617 2HG2 VAL 160 2HG2 VAL 160 131.694 6.756 -7.181 618 3HG2 VAL 160 3HG2 VAL 160 132.351 7.829 -5.945 619 H GLU 161 H GLU 161 134.289 11.051 -8.553 620 HA GLU 161 HA GLU 161 136.077 10.045 -10.667 621 1HB GLU 161 2HB GLU 161 135.271 12.007 -11.993 622 2HB GLU 161 1HB GLU 161 134.019 10.834 -11.615 623 1HG GLU 161 2HG GLU 161 134.092 12.783 -9.544 624 2HG GLU 161 1HG GLU 161 134.043 13.608 -11.102 Start of MODEL 5 1 1H MET 81 1HT MET 81 90.335 7.896 -0.505 2 2H MET 81 2HT MET 81 90.354 8.334 -2.164 3 3H MET 81 3HT MET 81 89.229 9.065 -1.093 4 HA MET 81 HA MET 81 91.192 10.417 -1.734 5 1HB MET 81 2HB MET 81 89.636 10.339 0.475 6 2HB MET 81 1HB MET 81 91.212 10.094 1.213 7 1HG MET 81 2HG MET 81 91.998 12.149 0.040 8 2HG MET 81 1HG MET 81 90.335 12.417 -0.480 9 1HE MET 81 1HE MET 81 88.399 13.708 1.758 10 2HE MET 81 2HE MET 81 88.500 12.320 2.841 11 3HE MET 81 3HE MET 81 88.476 12.077 1.093 12 H VAL 82 H VAL 82 93.178 9.913 -2.421 13 HA VAL 82 HA VAL 82 95.163 9.065 -0.530 14 HB VAL 82 HB VAL 82 94.235 6.879 -1.157 15 1HG1 VAL 82 1HG1 VAL 82 93.568 7.735 -3.490 16 2HG1 VAL 82 2HG1 VAL 82 94.124 6.067 -3.336 17 3HG1 VAL 82 3HG1 VAL 82 95.215 7.307 -3.957 18 1HG2 VAL 82 1HG2 VAL 82 96.661 7.180 -0.660 19 2HG2 VAL 82 2HG2 VAL 82 96.955 7.274 -2.395 20 3HG2 VAL 82 3HG2 VAL 82 96.304 5.794 -1.691 21 H ARG 83 H ARG 83 94.381 9.506 -3.963 22 HA ARG 83 HA ARG 83 97.036 10.109 -4.766 23 1HB ARG 83 2HB ARG 83 94.654 9.607 -6.062 24 2HB ARG 83 1HB ARG 83 94.921 11.313 -6.394 25 1HG ARG 83 2HG ARG 83 95.906 10.138 -8.177 26 2HG ARG 83 1HG ARG 83 97.242 10.676 -7.156 27 1HD ARG 83 2HD ARG 83 96.612 8.221 -6.094 28 2HD ARG 83 1HD ARG 83 96.353 7.975 -7.821 29 HE ARG 83 HE ARG 83 98.788 9.254 -7.581 30 1HH1 ARG 83 1HH1 ARG 83 97.379 6.246 -6.511 31 2HH1 ARG 83 2HH1 ARG 83 98.887 5.394 -6.513 32 1HH2 ARG 83 1HH2 ARG 83 100.771 8.135 -7.586 33 2HH2 ARG 83 2HH2 ARG 83 100.812 6.467 -7.123 34 H CYS 84 H CYS 84 97.076 12.390 -6.149 35 HA CYS 84 HA CYS 84 97.438 14.628 -5.982 36 1HB CYS 84 2HB CYS 84 94.806 14.209 -5.152 37 2HB CYS 84 1HB CYS 84 95.492 15.261 -3.918 38 HG CYS 84 HG CYS 84 94.535 16.209 -6.515 39 H MET 85 H MET 85 97.431 16.449 -3.991 40 HA MET 85 HA MET 85 98.592 17.207 -2.188 41 1HB MET 85 2HB MET 85 97.734 14.506 -1.391 42 2HB MET 85 1HB MET 85 99.127 15.117 -0.507 43 1HG MET 85 2HG MET 85 96.926 17.029 -0.783 44 2HG MET 85 1HG MET 85 96.535 15.581 0.143 45 1HE MET 85 1HE MET 85 98.964 14.802 2.020 46 2HE MET 85 2HE MET 85 97.233 15.003 2.299 47 3HE MET 85 3HE MET 85 98.396 15.824 3.341 48 H LYS 86 H LYS 86 99.947 13.928 -2.207 49 HA LYS 86 HA LYS 86 102.614 14.859 -2.070 50 1HB LYS 86 2HB LYS 86 101.245 12.272 -2.199 51 2HB LYS 86 1HB LYS 86 102.817 12.268 -2.988 52 1HG LYS 86 2HG LYS 86 103.703 13.323 -0.839 53 2HG LYS 86 1HG LYS 86 102.165 12.843 -0.119 54 1HD LYS 86 2HD LYS 86 103.685 10.796 -1.646 55 2HD LYS 86 1HD LYS 86 104.300 11.266 -0.060 56 1HE LYS 86 2HE LYS 86 102.079 10.773 0.906 57 2HE LYS 86 1HE LYS 86 101.538 10.222 -0.679 58 1HZ LYS 86 1HZ LYS 86 103.421 8.588 -0.577 59 2HZ LYS 86 2HZ LYS 86 102.166 8.314 0.524 60 3HZ LYS 86 3HZ LYS 86 103.615 9.010 1.050 61 H ASP 87 H ASP 87 103.561 15.940 -3.668 62 HA ASP 87 HA ASP 87 102.897 15.369 -6.440 63 1HB ASP 87 2HB ASP 87 104.554 17.500 -5.098 64 2HB ASP 87 1HB ASP 87 104.532 17.302 -6.847 65 H ASP 88 H ASP 88 105.977 15.834 -4.697 66 HA ASP 88 HA ASP 88 107.406 14.291 -6.662 67 1HB ASP 88 2HB ASP 88 108.119 16.283 -4.910 68 2HB ASP 88 1HB ASP 88 108.794 14.851 -4.136 69 H SER 89 H SER 89 107.045 12.157 -6.685 70 HA SER 89 HA SER 89 106.330 10.609 -4.437 71 1HB SER 89 2HB SER 89 106.090 10.134 -7.014 72 2HB SER 89 1HB SER 89 107.667 9.370 -6.814 73 HG SER 89 HG SER 89 105.248 8.728 -5.483 74 H LYS 90 H LYS 90 107.523 9.043 -3.287 75 HA LYS 90 HA LYS 90 110.271 9.811 -2.820 76 1HB LYS 90 2HB LYS 90 108.332 8.977 -1.147 77 2HB LYS 90 1HB LYS 90 109.134 7.441 -1.451 78 1HG LYS 90 2HG LYS 90 111.242 8.354 -0.683 79 2HG LYS 90 1HG LYS 90 110.494 9.936 -0.451 80 1HD LYS 90 2HD LYS 90 108.893 8.790 1.147 81 2HD LYS 90 1HD LYS 90 109.962 7.388 1.062 82 1HE LYS 90 2HE LYS 90 111.759 8.574 2.023 83 2HE LYS 90 1HE LYS 90 110.964 10.129 1.780 84 1HZ LYS 90 1HZ LYS 90 109.615 8.152 3.465 85 2HZ LYS 90 2HZ LYS 90 109.638 9.840 3.587 86 3HZ LYS 90 3HZ LYS 90 110.970 8.938 4.105 87 H GLY 91 H GLY 91 111.270 9.156 -4.770 88 1HA GLY 91 2HA GLY 91 111.160 6.382 -5.576 89 2HA GLY 91 1HA GLY 91 112.125 7.649 -6.319 90 H LYS 92 H LYS 92 114.250 7.615 -5.985 91 HA LYS 92 HA LYS 92 115.271 5.861 -3.852 92 1HB LYS 92 2HB LYS 92 116.305 6.544 -6.585 93 2HB LYS 92 1HB LYS 92 117.410 5.987 -5.337 94 1HG LYS 92 2HG LYS 92 115.505 4.097 -5.149 95 2HG LYS 92 1HG LYS 92 115.368 4.511 -6.858 96 1HD LYS 92 2HD LYS 92 117.697 4.037 -7.217 97 2HD LYS 92 1HD LYS 92 117.960 3.806 -5.488 98 1HE LYS 92 2HE LYS 92 116.049 2.123 -7.088 99 2HE LYS 92 1HE LYS 92 117.748 1.704 -6.883 100 1HZ LYS 92 1HZ LYS 92 116.016 2.233 -4.551 101 2HZ LYS 92 2HZ LYS 92 117.471 1.374 -4.614 102 3HZ LYS 92 3HZ LYS 92 116.066 0.702 -5.271 103 H THR 93 H THR 93 115.625 7.160 -2.141 104 HA THR 93 HA THR 93 116.956 9.733 -2.547 105 HB THR 93 HB THR 93 116.194 8.872 0.181 106 HG1 THR 93 HG1 THR 93 114.405 8.108 -0.860 107 1HG2 THR 93 1HG2 THR 93 116.277 11.045 0.542 108 2HG2 THR 93 2HG2 THR 93 114.997 11.308 -0.642 109 3HG2 THR 93 3HG2 THR 93 116.685 11.308 -1.153 110 H GLU 94 H GLU 94 118.362 10.167 -0.336 111 HA GLU 94 HA GLU 94 120.769 8.825 -0.743 112 1HB GLU 94 2HB GLU 94 119.817 10.928 0.902 113 2HB GLU 94 1HB GLU 94 120.656 9.794 1.951 114 1HG GLU 94 2HG GLU 94 122.497 10.892 1.360 115 2HG GLU 94 1HG GLU 94 122.380 9.995 -0.153 116 H GLU 95 H GLU 95 118.013 7.915 1.115 117 HA GLU 95 HA GLU 95 119.221 6.221 3.004 118 1HB GLU 95 2HB GLU 95 116.612 6.976 2.312 119 2HB GLU 95 1HB GLU 95 116.646 5.228 2.130 120 1HG GLU 95 2HG GLU 95 116.755 4.880 4.333 121 2HG GLU 95 1HG GLU 95 117.909 6.189 4.583 122 H GLU 96 H GLU 96 118.578 5.814 -0.381 123 HA GLU 96 HA GLU 96 118.599 2.992 -0.484 124 1HB GLU 96 2HB GLU 96 118.907 3.232 -2.858 125 2HB GLU 96 1HB GLU 96 117.787 4.473 -2.313 126 1HG GLU 96 2HG GLU 96 119.050 5.897 -3.457 127 2HG GLU 96 1HG GLU 96 120.215 5.737 -2.143 128 H LEU 97 H LEU 97 121.143 5.375 -0.348 129 HA LEU 97 HA LEU 97 123.297 3.894 -1.302 130 1HB LEU 97 2HB LEU 97 122.974 6.179 0.565 131 2HB LEU 97 1HB LEU 97 124.512 5.337 0.597 132 HG LEU 97 HG LEU 97 123.489 6.145 -2.068 133 1HD1 LEU 97 1HD1 LEU 97 124.951 8.231 -0.560 134 2HD1 LEU 97 2HD1 LEU 97 123.233 8.039 -0.214 135 3HD1 LEU 97 3HD1 LEU 97 123.768 8.385 -1.857 136 1HD2 LEU 97 1HD2 LEU 97 126.060 6.872 -1.978 137 2HD2 LEU 97 2HD2 LEU 97 125.541 5.225 -2.334 138 3HD2 LEU 97 3HD2 LEU 97 126.066 5.650 -0.705 139 H SER 98 H SER 98 121.632 3.745 1.762 140 HA SER 98 HA SER 98 123.551 2.361 3.264 141 1HB SER 98 2HB SER 98 121.713 1.727 4.729 142 2HB SER 98 1HB SER 98 121.505 3.401 4.215 143 HG SER 98 HG SER 98 119.723 2.864 3.239 144 H ASP 99 H ASP 99 121.060 1.213 1.043 145 HA ASP 99 HA ASP 99 121.281 -1.528 1.566 146 1HB ASP 99 2HB ASP 99 119.714 -0.010 -0.062 147 2HB ASP 99 1HB ASP 99 120.770 -0.781 -1.243 148 H LEU 100 H LEU 100 123.111 0.579 -0.588 149 HA LEU 100 HA LEU 100 124.546 -1.429 -1.941 150 1HB LEU 100 2HB LEU 100 125.078 1.476 -1.402 151 2HB LEU 100 1HB LEU 100 126.246 0.486 -2.255 152 HG LEU 100 HG LEU 100 123.471 0.422 -3.288 153 1HD1 LEU 100 1HD1 LEU 100 124.339 2.554 -4.649 154 2HD1 LEU 100 2HD1 LEU 100 125.082 2.889 -3.085 155 3HD1 LEU 100 3HD1 LEU 100 123.335 2.676 -3.204 156 1HD2 LEU 100 1HD2 LEU 100 124.908 -0.829 -4.578 157 2HD2 LEU 100 2HD2 LEU 100 126.259 0.280 -4.341 158 3HD2 LEU 100 3HD2 LEU 100 124.940 0.718 -5.426 159 H PHE 101 H PHE 101 125.120 0.254 1.094 160 HA PHE 101 HA PHE 101 127.751 -0.765 1.490 161 1HB PHE 101 2HB PHE 101 126.993 1.281 2.599 162 2HB PHE 101 1HB PHE 101 125.772 0.366 3.481 163 HD1 PHE 101 HD1 PHE 101 126.419 -1.157 5.278 164 HD2 PHE 101 HD2 PHE 101 129.291 1.246 3.257 165 HE1 PHE 101 HE1 PHE 101 128.033 -1.571 7.088 166 HE2 PHE 101 HE2 PHE 101 130.912 0.836 5.064 167 HZ PHE 101 HZ PHE 101 130.283 -0.575 6.981 168 H ARG 102 H ARG 102 124.531 -1.875 2.292 169 HA ARG 102 HA ARG 102 125.191 -3.812 4.209 170 1HB ARG 102 2HB ARG 102 122.913 -3.664 2.234 171 2HB ARG 102 1HB ARG 102 123.025 -4.894 3.485 172 1HG ARG 102 2HG ARG 102 122.941 -1.927 3.992 173 2HG ARG 102 1HG ARG 102 121.557 -3.016 4.099 174 1HD ARG 102 2HD ARG 102 124.079 -3.202 5.744 175 2HD ARG 102 1HD ARG 102 122.535 -2.560 6.301 176 HE ARG 102 HE ARG 102 122.220 -5.195 5.311 177 1HH1 ARG 102 1HH1 ARG 102 123.460 -3.424 8.051 178 2HH1 ARG 102 2HH1 ARG 102 123.208 -4.726 9.165 179 1HH2 ARG 102 1HH2 ARG 102 121.886 -6.908 6.776 180 2HH2 ARG 102 2HH2 ARG 102 122.315 -6.702 8.441 181 H MET 103 H MET 103 124.686 -4.173 0.698 182 HA MET 103 HA MET 103 125.251 -6.888 0.507 183 1HB MET 103 2HB MET 103 125.886 -6.367 -1.874 184 2HB MET 103 1HB MET 103 124.304 -5.783 -1.376 185 1HG MET 103 2HG MET 103 125.194 -3.545 -1.097 186 2HG MET 103 1HG MET 103 126.803 -4.116 -1.528 187 1HE MET 103 1HE MET 103 123.817 -5.753 -3.486 188 2HE MET 103 2HE MET 103 123.314 -4.413 -4.515 189 3HE MET 103 3HE MET 103 123.124 -4.300 -2.766 190 H PHE 104 H PHE 104 127.449 -4.118 0.324 191 HA PHE 104 HA PHE 104 129.792 -5.492 -0.309 192 1HB PHE 104 2HB PHE 104 129.101 -2.858 0.796 193 2HB PHE 104 1HB PHE 104 130.690 -3.442 1.279 194 HD1 PHE 104 HD1 PHE 104 132.434 -2.764 -0.030 195 HD2 PHE 104 HD2 PHE 104 128.620 -3.331 -1.830 196 HE1 PHE 104 HE1 PHE 104 133.355 -2.050 -2.197 197 HE2 PHE 104 HE2 PHE 104 129.534 -2.619 -4.002 198 HZ PHE 104 HZ PHE 104 131.904 -1.977 -4.186 199 H ASP 105 H ASP 105 128.234 -4.927 2.800 200 HA ASP 105 HA ASP 105 130.368 -5.955 4.380 201 1HB ASP 105 2HB ASP 105 128.109 -4.542 4.937 202 2HB ASP 105 1HB ASP 105 127.635 -6.148 5.480 203 H LYS 106 H LYS 106 130.349 -7.933 5.612 204 HA LYS 106 HA LYS 106 129.198 -10.144 4.073 205 1HB LYS 106 2HB LYS 106 131.692 -9.984 4.639 206 2HB LYS 106 1HB LYS 106 131.225 -10.385 6.287 207 1HG LYS 106 2HG LYS 106 131.856 -12.417 5.319 208 2HG LYS 106 1HG LYS 106 130.092 -12.435 5.304 209 1HD LYS 106 2HD LYS 106 130.712 -11.257 2.898 210 2HD LYS 106 1HD LYS 106 131.988 -12.460 3.084 211 1HE LYS 106 2HE LYS 106 130.525 -14.222 3.018 212 2HE LYS 106 1HE LYS 106 129.181 -13.270 3.648 213 1HZ LYS 106 1HZ LYS 106 128.669 -12.457 1.594 214 2HZ LYS 106 2HZ LYS 106 129.266 -13.975 1.149 215 3HZ LYS 106 3HZ LYS 106 130.246 -12.605 0.999 216 H ASN 107 H ASN 107 129.720 -9.270 7.493 217 HA ASN 107 HA ASN 107 127.498 -11.021 8.240 218 1HB ASN 107 2HB ASN 107 128.301 -10.529 10.590 219 2HB ASN 107 1HB ASN 107 129.438 -11.400 9.565 220 1HD2 ASN 107 1HD2 ASN 107 130.980 -10.625 11.174 221 2HD2 ASN 107 2HD2 ASN 107 131.667 -9.052 10.976 222 H ALA 108 H ALA 108 127.970 -7.814 7.460 223 HA ALA 108 HA ALA 108 126.687 -5.948 7.660 224 1HB ALA 108 1HB ALA 108 124.706 -6.863 7.056 225 2HB ALA 108 2HB ALA 108 124.302 -6.511 8.736 226 3HB ALA 108 3HB ALA 108 124.799 -8.138 8.272 227 H ASP 109 H ASP 109 128.502 -5.847 9.460 228 HA ASP 109 HA ASP 109 127.298 -5.603 12.115 229 1HB ASP 109 2HB ASP 109 129.705 -5.218 12.826 230 2HB ASP 109 1HB ASP 109 129.343 -6.813 12.173 231 H GLY 110 H GLY 110 128.459 -3.689 9.477 232 1HA GLY 110 2HA GLY 110 127.475 -1.382 9.533 233 2HA GLY 110 1HA GLY 110 128.177 -1.263 11.140 234 H TYR 111 H TYR 111 130.549 -2.861 10.003 235 HA TYR 111 HA TYR 111 131.793 -0.669 8.486 236 1HB TYR 111 2HB TYR 111 133.118 -2.231 10.712 237 2HB TYR 111 1HB TYR 111 133.856 -0.949 9.759 238 HD1 TYR 111 HD1 TYR 111 132.570 -1.610 12.856 239 HD2 TYR 111 HD2 TYR 111 132.208 1.267 9.744 240 HE1 TYR 111 HE1 TYR 111 131.781 0.049 14.490 241 HE2 TYR 111 HE2 TYR 111 131.419 2.936 11.369 242 HH TYR 111 HH TYR 111 131.501 3.378 13.741 243 H ILE 112 H ILE 112 133.595 -1.295 7.158 244 HA ILE 112 HA ILE 112 133.709 -4.177 6.561 245 HB ILE 112 HB ILE 112 133.742 -2.010 4.460 246 1HG1 ILE 112 2HG1 ILE 112 131.496 -3.963 4.784 247 2HG1 ILE 112 1HG1 ILE 112 131.524 -2.515 5.784 248 1HG2 ILE 112 1HG2 ILE 112 134.960 -3.929 3.745 249 2HG2 ILE 112 2HG2 ILE 112 133.393 -3.963 2.936 250 3HG2 ILE 112 3HG2 ILE 112 133.696 -5.017 4.318 251 1HD1 ILE 112 1HD1 ILE 112 131.476 -1.111 3.843 252 2HD1 ILE 112 2HD1 ILE 112 130.168 -2.288 3.734 253 3HD1 ILE 112 3HD1 ILE 112 131.635 -2.509 2.779 254 H ASP 113 H ASP 113 135.696 -4.995 6.037 255 HA ASP 113 HA ASP 113 137.944 -3.109 5.868 256 1HB ASP 113 2HB ASP 113 139.284 -4.555 7.333 257 2HB ASP 113 1HB ASP 113 137.855 -3.955 8.169 258 H LEU 114 H LEU 114 140.032 -4.626 5.434 259 HA LEU 114 HA LEU 114 139.782 -5.511 2.801 260 1HB LEU 114 2HB LEU 114 141.863 -5.741 4.913 261 2HB LEU 114 1HB LEU 114 142.016 -6.779 3.507 262 HG LEU 114 HG LEU 114 141.645 -3.820 3.177 263 1HD1 LEU 114 1HD1 LEU 114 144.290 -5.220 3.539 264 2HD1 LEU 114 2HD1 LEU 114 143.527 -4.168 4.733 265 3HD1 LEU 114 3HD1 LEU 114 144.036 -3.512 3.177 266 1HD2 LEU 114 1HD2 LEU 114 143.150 -5.809 1.491 267 2HD2 LEU 114 2HD2 LEU 114 142.644 -4.177 1.055 268 3HD2 LEU 114 3HD2 LEU 114 141.439 -5.446 1.265 269 H GLU 115 H GLU 115 139.823 -7.344 5.830 270 HA GLU 115 HA GLU 115 139.779 -9.912 4.689 271 1HB GLU 115 2HB GLU 115 139.960 -8.930 7.228 272 2HB GLU 115 1HB GLU 115 138.333 -9.598 7.233 273 1HG GLU 115 2HG GLU 115 139.175 -11.763 6.593 274 2HG GLU 115 1HG GLU 115 140.807 -11.115 6.434 275 H GLU 116 H GLU 116 137.102 -7.959 6.004 276 HA GLU 116 HA GLU 116 135.045 -9.724 5.300 277 1HB GLU 116 2HB GLU 116 135.276 -7.013 6.306 278 2HB GLU 116 1HB GLU 116 133.944 -7.156 5.168 279 1HG GLU 116 2HG GLU 116 132.692 -8.066 6.740 280 2HG GLU 116 1HG GLU 116 133.839 -9.394 6.899 281 H LEU 117 H LEU 117 136.690 -7.227 3.472 282 HA LEU 117 HA LEU 117 134.834 -7.307 1.273 283 1HB LEU 117 2HB LEU 117 136.500 -5.412 2.089 284 2HB LEU 117 1HB LEU 117 137.589 -6.214 0.975 285 HG LEU 117 HG LEU 117 135.909 -5.891 -0.833 286 1HD1 LEU 117 1HD1 LEU 117 134.111 -4.238 -0.430 287 2HD1 LEU 117 2HD1 LEU 117 134.488 -4.296 1.291 288 3HD1 LEU 117 3HD1 LEU 117 133.893 -5.739 0.469 289 1HD2 LEU 117 1HD2 LEU 117 137.357 -3.752 0.576 290 2HD2 LEU 117 2HD2 LEU 117 136.124 -3.212 -0.564 291 3HD2 LEU 117 3HD2 LEU 117 137.435 -4.259 -1.111 292 H LYS 118 H LYS 118 137.806 -8.897 2.150 293 HA LYS 118 HA LYS 118 138.520 -9.843 -0.420 294 1HB LYS 118 2HB LYS 118 140.002 -9.758 1.627 295 2HB LYS 118 1HB LYS 118 139.148 -11.179 2.212 296 1HG LYS 118 2HG LYS 118 140.083 -12.563 0.646 297 2HG LYS 118 1HG LYS 118 140.354 -11.254 -0.506 298 1HD LYS 118 2HD LYS 118 142.493 -11.396 0.167 299 2HD LYS 118 1HD LYS 118 141.934 -10.480 1.569 300 1HE LYS 118 2HE LYS 118 141.323 -12.984 2.354 301 2HE LYS 118 1HE LYS 118 142.727 -13.312 1.340 302 1HZ LYS 118 1HZ LYS 118 143.030 -12.770 3.844 303 2HZ LYS 118 2HZ LYS 118 142.865 -11.163 3.341 304 3HZ LYS 118 3HZ LYS 118 144.107 -12.123 2.712 305 H ILE 119 H ILE 119 136.258 -10.948 1.986 306 HA ILE 119 HA ILE 119 135.955 -13.596 0.973 307 HB ILE 119 HB ILE 119 133.969 -12.021 2.614 308 1HG1 ILE 119 2HG1 ILE 119 135.936 -13.963 3.774 309 2HG1 ILE 119 1HG1 ILE 119 136.437 -12.304 3.464 310 1HG2 ILE 119 1HG2 ILE 119 134.373 -14.983 2.221 311 2HG2 ILE 119 2HG2 ILE 119 133.015 -14.016 1.644 312 3HG2 ILE 119 3HG2 ILE 119 133.253 -14.257 3.376 313 1HD1 ILE 119 1HD1 ILE 119 135.759 -12.396 5.714 314 2HD1 ILE 119 2HD1 ILE 119 134.281 -13.271 5.312 315 3HD1 ILE 119 3HD1 ILE 119 134.461 -11.579 4.845 316 H MET 120 H MET 120 133.911 -10.680 0.731 317 HA MET 120 HA MET 120 131.973 -11.766 -0.962 318 1HB MET 120 2HB MET 120 131.415 -9.433 -1.531 319 2HB MET 120 1HB MET 120 131.628 -9.658 0.199 320 1HG MET 120 2HG MET 120 133.430 -8.315 0.293 321 2HG MET 120 1HG MET 120 134.028 -8.825 -1.285 322 1HE MET 120 1HE MET 120 132.307 -6.650 -3.808 323 2HE MET 120 2HE MET 120 132.881 -8.276 -3.434 324 3HE MET 120 3HE MET 120 133.987 -6.905 -3.334 325 H LEU 121 H LEU 121 135.151 -10.504 -1.643 326 HA LEU 121 HA LEU 121 134.762 -10.276 -4.473 327 1HB LEU 121 2HB LEU 121 136.987 -9.934 -2.570 328 2HB LEU 121 1HB LEU 121 137.458 -10.439 -4.180 329 HG LEU 121 HG LEU 121 135.721 -8.375 -4.708 330 1HD1 LEU 121 1HD1 LEU 121 137.307 -7.687 -2.239 331 2HD1 LEU 121 2HD1 LEU 121 135.550 -7.732 -2.391 332 3HD1 LEU 121 3HD1 LEU 121 136.479 -6.518 -3.270 333 1HD2 LEU 121 1HD2 LEU 121 138.064 -7.091 -4.791 334 2HD2 LEU 121 2HD2 LEU 121 137.594 -8.306 -5.979 335 3HD2 LEU 121 3HD2 LEU 121 138.654 -8.746 -4.641 336 H GLN 122 H GLN 122 135.890 -12.755 -2.277 337 HA GLN 122 HA GLN 122 137.100 -14.467 -4.153 338 1HB GLN 122 2HB GLN 122 135.918 -14.845 -1.426 339 2HB GLN 122 1HB GLN 122 136.399 -16.251 -2.368 340 1HG GLN 122 2HG GLN 122 138.429 -14.156 -2.264 341 2HG GLN 122 1HG GLN 122 138.014 -14.828 -0.689 342 1HE2 GLN 122 1HE2 GLN 122 139.810 -15.234 -3.495 343 2HE2 GLN 122 2HE2 GLN 122 140.336 -16.858 -3.232 344 H ALA 123 H ALA 123 133.767 -13.936 -3.269 345 HA ALA 123 HA ALA 123 132.615 -16.279 -4.262 346 1HB ALA 123 1HB ALA 123 131.083 -13.789 -4.649 347 2HB ALA 123 2HB ALA 123 131.651 -14.102 -3.009 348 3HB ALA 123 3HB ALA 123 130.635 -15.286 -3.832 349 H THR 124 H THR 124 133.723 -13.387 -5.895 350 HA THR 124 HA THR 124 132.432 -13.727 -8.356 351 HB THR 124 HB THR 124 134.087 -12.229 -9.269 352 HG1 THR 124 HG1 THR 124 136.034 -12.782 -8.632 353 1HG2 THR 124 1HG2 THR 124 133.169 -10.566 -8.149 354 2HG2 THR 124 2HG2 THR 124 134.314 -10.839 -6.837 355 3HG2 THR 124 3HG2 THR 124 132.748 -11.650 -6.824 356 H GLY 125 H GLY 125 133.924 -14.046 -10.427 357 1HA GLY 125 2HA GLY 125 134.811 -16.808 -10.258 358 2HA GLY 125 1HA GLY 125 134.598 -15.867 -11.727 359 H GLU 126 H GLU 126 136.216 -13.635 -10.721 360 HA GLU 126 HA GLU 126 138.802 -14.720 -11.446 361 1HB GLU 126 2HB GLU 126 138.012 -11.870 -10.823 362 2HB GLU 126 1HB GLU 126 139.527 -12.389 -11.549 363 1HG GLU 126 2HG GLU 126 137.290 -13.389 -13.053 364 2HG GLU 126 1HG GLU 126 137.179 -11.640 -12.854 365 H THR 127 H THR 127 140.458 -15.098 -10.105 366 HA THR 127 HA THR 127 140.030 -14.896 -7.268 367 HB THR 127 HB THR 127 142.230 -15.989 -7.085 368 HG1 THR 127 HG1 THR 127 142.287 -15.884 -9.916 369 1HG2 THR 127 1HG2 THR 127 141.275 -17.651 -9.238 370 2HG2 THR 127 2HG2 THR 127 139.960 -17.132 -8.183 371 3HG2 THR 127 3HG2 THR 127 141.355 -17.976 -7.506 372 H ILE 128 H ILE 128 139.967 -12.710 -6.776 373 HA ILE 128 HA ILE 128 142.125 -10.956 -7.551 374 HB ILE 128 HB ILE 128 139.954 -10.401 -5.532 375 1HG1 ILE 128 2HG1 ILE 128 138.937 -11.104 -7.645 376 2HG1 ILE 128 1HG1 ILE 128 138.700 -9.378 -7.387 377 1HG2 ILE 128 1HG2 ILE 128 140.373 -8.045 -6.250 378 2HG2 ILE 128 2HG2 ILE 128 141.763 -8.630 -7.163 379 3HG2 ILE 128 3HG2 ILE 128 141.724 -8.804 -5.409 380 1HD1 ILE 128 1HD1 ILE 128 139.993 -10.755 -9.557 381 2HD1 ILE 128 2HD1 ILE 128 141.068 -9.561 -8.828 382 3HD1 ILE 128 3HD1 ILE 128 139.485 -9.071 -9.432 383 H THR 129 H THR 129 143.485 -9.824 -6.043 384 HA THR 129 HA THR 129 144.171 -11.485 -3.718 385 HB THR 129 HB THR 129 146.372 -10.239 -3.838 386 HG1 THR 129 HG1 THR 129 146.042 -8.496 -5.047 387 1HG2 THR 129 1HG2 THR 129 146.821 -12.232 -4.756 388 2HG2 THR 129 2HG2 THR 129 146.860 -11.312 -6.260 389 3HG2 THR 129 3HG2 THR 129 145.400 -12.192 -5.800 390 H GLU 130 H GLU 130 145.293 -10.128 -1.929 391 HA GLU 130 HA GLU 130 143.349 -8.395 -0.840 392 1HB GLU 130 2HB GLU 130 145.497 -9.791 0.150 393 2HB GLU 130 1HB GLU 130 146.053 -8.127 0.272 394 1HG GLU 130 2HG GLU 130 143.704 -7.743 1.356 395 2HG GLU 130 1HG GLU 130 143.789 -9.479 1.650 396 H ASP 131 H ASP 131 146.235 -7.837 -2.722 397 HA ASP 131 HA ASP 131 146.538 -5.083 -2.171 398 1HB ASP 131 2HB ASP 131 147.701 -7.041 -3.974 399 2HB ASP 131 1HB ASP 131 147.493 -5.482 -4.764 400 H ASP 132 H ASP 132 144.900 -6.808 -4.811 401 HA ASP 132 HA ASP 132 144.034 -4.537 -6.214 402 1HB ASP 132 2HB ASP 132 143.272 -7.411 -6.147 403 2HB ASP 132 1HB ASP 132 142.126 -6.293 -6.878 404 H ILE 133 H ILE 133 142.641 -6.291 -3.504 405 HA ILE 133 HA ILE 133 140.133 -4.920 -3.555 406 HB ILE 133 HB ILE 133 141.384 -6.368 -1.218 407 1HG1 ILE 133 2HG1 ILE 133 139.392 -7.620 -3.074 408 2HG1 ILE 133 1HG1 ILE 133 141.093 -7.603 -3.524 409 1HG2 ILE 133 1HG2 ILE 133 139.077 -6.672 -0.483 410 2HG2 ILE 133 2HG2 ILE 133 138.504 -5.768 -1.886 411 3HG2 ILE 133 3HG2 ILE 133 139.471 -4.961 -0.650 412 1HD1 ILE 133 1HD1 ILE 133 141.696 -8.994 -1.781 413 2HD1 ILE 133 2HD1 ILE 133 140.136 -9.643 -2.282 414 3HD1 ILE 133 3HD1 ILE 133 140.247 -8.623 -0.849 415 H GLU 134 H GLU 134 143.245 -4.349 -2.084 416 HA GLU 134 HA GLU 134 142.523 -2.544 -0.080 417 1HB GLU 134 2HB GLU 134 144.998 -3.085 -1.642 418 2HB GLU 134 1HB GLU 134 144.922 -1.582 -0.731 419 1HG GLU 134 2HG GLU 134 144.351 -2.941 1.290 420 2HG GLU 134 1HG GLU 134 144.691 -4.383 0.335 421 H GLU 135 H GLU 135 142.680 -2.155 -3.523 422 HA GLU 135 HA GLU 135 142.989 0.605 -3.745 423 1HB GLU 135 2HB GLU 135 141.778 -1.524 -5.431 424 2HB GLU 135 1HB GLU 135 141.376 0.140 -5.830 425 1HG GLU 135 2HG GLU 135 143.810 0.635 -5.940 426 2HG GLU 135 1HG GLU 135 144.121 -1.086 -5.713 427 H LEU 136 H LEU 136 140.012 -1.305 -3.395 428 HA LEU 136 HA LEU 136 138.239 0.889 -3.462 429 1HB LEU 136 2HB LEU 136 138.097 -1.967 -2.740 430 2HB LEU 136 1HB LEU 136 136.897 -0.943 -1.972 431 HG LEU 136 HG LEU 136 137.226 -0.632 -4.903 432 1HD1 LEU 136 1HD1 LEU 136 137.181 -3.179 -4.069 433 2HD1 LEU 136 2HD1 LEU 136 136.398 -2.629 -5.550 434 3HD1 LEU 136 3HD1 LEU 136 135.450 -2.838 -4.077 435 1HD2 LEU 136 1HD2 LEU 136 135.113 0.159 -4.799 436 2HD2 LEU 136 2HD2 LEU 136 135.528 0.402 -3.101 437 3HD2 LEU 136 3HD2 LEU 136 134.612 -1.025 -3.590 438 H MET 137 H MET 137 140.118 -0.568 -0.903 439 HA MET 137 HA MET 137 138.743 0.824 1.212 440 1HB MET 137 2HB MET 137 141.196 -0.906 1.073 441 2HB MET 137 1HB MET 137 140.811 -0.007 2.534 442 1HG MET 137 2HG MET 137 138.583 -1.559 1.439 443 2HG MET 137 1HG MET 137 139.960 -2.521 1.976 444 1HE MET 137 1HE MET 137 136.742 -2.380 3.888 445 2HE MET 137 2HE MET 137 136.883 -1.249 2.544 446 3HE MET 137 3HE MET 137 136.682 -0.644 4.188 447 H LYS 138 H LYS 138 141.565 1.340 -0.780 448 HA LYS 138 HA LYS 138 142.836 3.311 0.767 449 1HB LYS 138 2HB LYS 138 143.521 2.016 -1.468 450 2HB LYS 138 1HB LYS 138 142.950 3.509 -2.199 451 1HG LYS 138 2HG LYS 138 144.790 3.823 0.079 452 2HG LYS 138 1HG LYS 138 145.478 3.106 -1.380 453 1HD LYS 138 2HD LYS 138 144.574 5.024 -2.680 454 2HD LYS 138 1HD LYS 138 144.053 5.756 -1.161 455 1HE LYS 138 2HE LYS 138 146.242 6.101 -0.437 456 2HE LYS 138 1HE LYS 138 146.903 4.928 -1.575 457 1HZ LYS 138 1HZ LYS 138 146.955 6.432 -3.232 458 2HZ LYS 138 2HZ LYS 138 146.997 7.550 -1.963 459 3HZ LYS 138 3HZ LYS 138 145.534 7.210 -2.743 460 H ASP 139 H ASP 139 140.740 3.726 -2.092 461 HA ASP 139 HA ASP 139 140.445 6.540 -1.567 462 1HB ASP 139 2HB ASP 139 139.190 6.635 -3.592 463 2HB ASP 139 1HB ASP 139 140.520 5.517 -3.871 464 H GLY 140 H GLY 140 138.822 3.690 -0.599 465 1HA GLY 140 2HA GLY 140 136.229 4.859 -0.221 466 2HA GLY 140 1HA GLY 140 136.776 3.311 0.404 467 H ASP 141 H ASP 141 139.133 4.622 1.686 468 HA ASP 141 HA ASP 141 137.719 5.521 4.084 469 1HB ASP 141 2HB ASP 141 139.532 3.659 4.026 470 2HB ASP 141 1HB ASP 141 140.675 4.997 3.938 471 H LYS 142 H LYS 142 137.809 7.549 4.830 472 HA LYS 142 HA LYS 142 139.593 9.436 3.436 473 1HB LYS 142 2HB LYS 142 137.012 10.123 4.843 474 2HB LYS 142 1HB LYS 142 137.960 11.154 3.779 475 1HG LYS 142 2HG LYS 142 136.678 8.603 2.847 476 2HG LYS 142 1HG LYS 142 135.856 10.164 2.804 477 1HD LYS 142 2HD LYS 142 138.571 9.893 1.589 478 2HD LYS 142 1HD LYS 142 137.161 9.300 0.709 479 1HE LYS 142 2HE LYS 142 136.279 11.736 1.479 480 2HE LYS 142 1HE LYS 142 138.005 12.058 1.305 481 1HZ LYS 142 1HZ LYS 142 137.922 11.793 -0.915 482 2HZ LYS 142 2HZ LYS 142 136.289 12.184 -0.711 483 3HZ LYS 142 3HZ LYS 142 136.759 10.566 -0.855 484 H ASN 143 H ASN 143 138.478 8.273 6.526 485 HA ASN 143 HA ASN 143 139.939 10.325 7.979 486 1HB ASN 143 2HB ASN 143 138.235 8.008 8.902 487 2HB ASN 143 1HB ASN 143 139.063 9.108 10.000 488 1HD2 ASN 143 1HD2 ASN 143 138.668 11.519 9.215 489 2HD2 ASN 143 2HD2 ASN 143 136.998 11.912 9.015 490 H ASN 144 H ASN 144 140.753 7.495 6.488 491 HA ASN 144 HA ASN 144 142.543 6.101 6.592 492 1HB ASN 144 2HB ASN 144 143.547 8.366 8.313 493 2HB ASN 144 1HB ASN 144 144.538 6.961 7.937 494 1HD2 ASN 144 1HD2 ASN 144 142.629 9.520 6.424 495 2HD2 ASN 144 2HD2 ASN 144 143.617 9.666 5.015 496 H ASP 145 H ASP 145 140.334 5.760 8.452 497 HA ASP 145 HA ASP 145 141.430 4.929 10.973 498 1HB ASP 145 2HB ASP 145 139.164 4.095 11.435 499 2HB ASP 145 1HB ASP 145 139.125 5.745 10.820 500 H GLY 146 H GLY 146 140.736 3.430 7.905 501 1HA GLY 146 2HA GLY 146 142.104 1.431 7.421 502 2HA GLY 146 1HA GLY 146 141.664 0.855 9.022 503 H ARG 147 H ARG 147 138.876 1.873 8.635 504 HA ARG 147 HA ARG 147 137.933 -0.125 6.689 505 1HB ARG 147 2HB ARG 147 136.678 0.424 9.385 506 2HB ARG 147 1HB ARG 147 136.143 -0.763 8.204 507 1HG ARG 147 2HG ARG 147 138.203 -2.015 8.496 508 2HG ARG 147 1HG ARG 147 138.786 -0.809 9.645 509 1HD ARG 147 2HD ARG 147 136.477 -1.374 10.824 510 2HD ARG 147 1HD ARG 147 136.699 -2.899 9.968 511 HE ARG 147 HE ARG 147 139.083 -2.243 11.297 512 1HH1 ARG 147 1HH1 ARG 147 135.816 -3.250 12.000 513 2HH1 ARG 147 2HH1 ARG 147 136.246 -4.049 13.476 514 1HH2 ARG 147 1HH2 ARG 147 139.651 -3.292 13.237 515 2HH2 ARG 147 2HH2 ARG 147 138.424 -4.072 14.179 516 H ILE 148 H ILE 148 135.391 0.225 6.470 517 HA ILE 148 HA ILE 148 134.959 3.114 6.077 518 HB ILE 148 HB ILE 148 133.846 0.919 4.332 519 1HG1 ILE 148 2HG1 ILE 148 135.996 2.848 3.503 520 2HG1 ILE 148 1HG1 ILE 148 136.408 1.333 4.298 521 1HG2 ILE 148 1HG2 ILE 148 133.897 3.915 3.995 522 2HG2 ILE 148 2HG2 ILE 148 132.487 2.938 4.404 523 3HG2 ILE 148 3HG2 ILE 148 133.257 2.758 2.827 524 1HD1 ILE 148 1HD1 ILE 148 134.848 0.340 2.416 525 2HD1 ILE 148 2HD1 ILE 148 136.552 0.686 2.129 526 3HD1 ILE 148 3HD1 ILE 148 135.318 1.823 1.589 527 H ASP 149 H ASP 149 132.855 3.911 6.374 528 HA ASP 149 HA ASP 149 130.923 2.069 7.597 529 1HB ASP 149 2HB ASP 149 130.427 3.692 9.359 530 2HB ASP 149 1HB ASP 149 132.124 3.227 9.413 531 H TYR 150 H TYR 150 128.871 3.710 8.139 532 HA TYR 150 HA TYR 150 127.741 4.200 5.607 533 1HB TYR 150 2HB TYR 150 126.538 3.683 7.802 534 2HB TYR 150 1HB TYR 150 126.736 5.390 8.187 535 HD1 TYR 150 HD1 TYR 150 125.908 3.775 4.932 536 HD2 TYR 150 HD2 TYR 150 124.589 6.284 8.105 537 HE1 TYR 150 HE1 TYR 150 123.865 4.293 3.665 538 HE2 TYR 150 HE2 TYR 150 122.541 6.807 6.847 539 HH TYR 150 HH TYR 150 121.818 6.824 4.430 540 H ASP 151 H ASP 151 128.982 6.420 8.088 541 HA ASP 151 HA ASP 151 128.351 8.816 6.802 542 1HB ASP 151 2HB ASP 151 130.752 8.300 8.570 543 2HB ASP 151 1HB ASP 151 129.997 9.858 8.250 544 H GLU 152 H GLU 152 131.329 6.879 6.656 545 HA GLU 152 HA GLU 152 132.675 8.607 4.856 546 1HB GLU 152 2HB GLU 152 133.090 5.705 5.570 547 2HB GLU 152 1HB GLU 152 134.148 6.583 4.474 548 1HG GLU 152 2HG GLU 152 133.742 8.014 6.956 549 2HG GLU 152 1HG GLU 152 134.386 6.395 7.223 550 H PHE 153 H PHE 153 130.819 5.617 4.388 551 HA PHE 153 HA PHE 153 131.220 5.346 1.635 552 1HB PHE 153 2HB PHE 153 130.106 3.728 3.329 553 2HB PHE 153 1HB PHE 153 128.622 4.599 2.952 554 HD1 PHE 153 HD1 PHE 153 127.841 4.665 0.557 555 HD2 PHE 153 HD2 PHE 153 130.927 2.064 1.905 556 HE1 PHE 153 HE1 PHE 153 127.521 3.258 -1.438 557 HE2 PHE 153 HE2 PHE 153 130.615 0.653 -0.085 558 HZ PHE 153 HZ PHE 153 128.910 1.249 -1.760 559 H LEU 154 H LEU 154 128.949 7.311 3.451 560 HA LEU 154 HA LEU 154 127.276 8.036 1.295 561 1HB LEU 154 2HB LEU 154 127.478 8.615 4.059 562 2HB LEU 154 1HB LEU 154 127.454 10.153 3.218 563 HG LEU 154 HG LEU 154 125.207 9.457 3.892 564 1HD1 LEU 154 1HD1 LEU 154 124.112 9.685 1.701 565 2HD1 LEU 154 2HD1 LEU 154 125.666 9.410 0.912 566 3HD1 LEU 154 3HD1 LEU 154 125.427 10.839 1.918 567 1HD2 LEU 154 1HD2 LEU 154 124.976 7.206 3.918 568 2HD2 LEU 154 2HD2 LEU 154 126.025 6.969 2.521 569 3HD2 LEU 154 3HD2 LEU 154 124.354 7.488 2.292 570 H GLU 155 H GLU 155 130.340 9.252 2.449 571 HA GLU 155 HA GLU 155 130.243 11.576 0.713 572 1HB GLU 155 2HB GLU 155 132.214 10.532 2.725 573 2HB GLU 155 1HB GLU 155 132.672 11.803 1.598 574 1HG GLU 155 2HG GLU 155 130.181 12.511 2.759 575 2HG GLU 155 1HG GLU 155 131.276 12.025 4.052 576 H PHE 156 H PHE 156 131.820 8.439 0.876 577 HA PHE 156 HA PHE 156 133.658 8.825 -1.223 578 1HB PHE 156 2HB PHE 156 133.840 6.974 0.380 579 2HB PHE 156 1HB PHE 156 132.364 6.264 -0.263 580 HD1 PHE 156 HD1 PHE 156 132.726 4.414 -1.555 581 HD2 PHE 156 HD2 PHE 156 135.545 7.598 -1.702 582 HE1 PHE 156 HE1 PHE 156 134.049 3.162 -3.207 583 HE2 PHE 156 HE2 PHE 156 136.872 6.352 -3.357 584 HZ PHE 156 HZ PHE 156 136.123 4.129 -4.111 585 H MET 157 H MET 157 130.267 8.014 -1.180 586 HA MET 157 HA MET 157 130.235 7.294 -3.988 587 1HB MET 157 2HB MET 157 128.295 7.242 -1.745 588 2HB MET 157 1HB MET 157 127.624 7.461 -3.355 589 1HG MET 157 2HG MET 157 129.605 5.308 -3.100 590 2HG MET 157 1HG MET 157 128.102 5.068 -2.212 591 1HE MET 157 1HE MET 157 127.798 2.780 -5.198 592 2HE MET 157 2HE MET 157 128.988 3.141 -3.948 593 3HE MET 157 3HE MET 157 129.297 3.608 -5.619 594 H LYS 158 H LYS 158 128.965 9.895 -1.930 595 HA LYS 158 HA LYS 158 128.065 11.405 -4.228 596 1HB LYS 158 2HB LYS 158 127.122 11.283 -1.727 597 2HB LYS 158 1HB LYS 158 128.206 12.653 -1.534 598 1HG LYS 158 2HG LYS 158 126.979 13.456 -3.741 599 2HG LYS 158 1HG LYS 158 125.706 12.412 -3.105 600 1HD LYS 158 2HD LYS 158 125.297 13.765 -1.326 601 2HD LYS 158 1HD LYS 158 126.980 14.276 -1.192 602 1HE LYS 158 2HE LYS 158 126.736 15.796 -3.020 603 2HE LYS 158 1HE LYS 158 125.135 15.165 -3.399 604 1HZ LYS 158 1HZ LYS 158 125.540 17.348 -1.945 605 2HZ LYS 158 2HZ LYS 158 125.492 16.197 -0.706 606 3HZ LYS 158 3HZ LYS 158 124.180 16.355 -1.763 607 H GLY 159 H GLY 159 130.277 11.444 -5.161 608 1HA GLY 159 2HA GLY 159 131.736 13.223 -5.839 609 2HA GLY 159 1HA GLY 159 131.697 13.831 -4.190 610 H VAL 160 H VAL 160 132.899 11.224 -6.240 611 HA VAL 160 HA VAL 160 134.705 10.267 -4.195 612 HB VAL 160 HB VAL 160 134.854 9.466 -7.086 613 1HG1 VAL 160 1HG1 VAL 160 136.580 8.492 -5.859 614 2HG1 VAL 160 2HG1 VAL 160 135.342 7.237 -5.903 615 3HG1 VAL 160 3HG1 VAL 160 135.552 8.218 -4.453 616 1HG2 VAL 160 1HG2 VAL 160 132.575 9.142 -5.327 617 2HG2 VAL 160 2HG2 VAL 160 133.226 7.587 -5.848 618 3HG2 VAL 160 3HG2 VAL 160 132.730 8.783 -7.046 619 H GLU 161 H GLU 161 135.437 12.733 -4.281 620 HA GLU 161 HA GLU 161 137.460 13.219 -6.305 621 1HB GLU 161 2HB GLU 161 136.076 14.811 -4.240 622 2HB GLU 161 1HB GLU 161 137.749 15.263 -4.537 623 1HG GLU 161 2HG GLU 161 136.895 15.113 -7.063 624 2HG GLU 161 1HG GLU 161 135.374 15.521 -6.270 Start of MODEL 6 1 1H MET 81 1HT MET 81 92.548 9.065 2.976 2 2H MET 81 2HT MET 81 93.660 10.303 3.394 3 3H MET 81 3HT MET 81 91.997 10.673 3.193 4 HA MET 81 HA MET 81 92.277 10.619 5.442 5 1HB MET 81 2HB MET 81 91.286 7.976 4.375 6 2HB MET 81 1HB MET 81 91.161 8.409 6.073 7 1HG MET 81 2HG MET 81 90.126 10.408 4.185 8 2HG MET 81 1HG MET 81 89.249 8.879 4.234 9 1HE MET 81 1HE MET 81 90.971 10.721 7.556 10 2HE MET 81 2HE MET 81 89.736 11.980 7.539 11 3HE MET 81 3HE MET 81 90.762 11.730 6.125 12 H VAL 82 H VAL 82 94.077 8.079 3.841 13 HA VAL 82 HA VAL 82 95.488 7.455 6.337 14 HB VAL 82 HB VAL 82 94.612 5.544 5.055 15 1HG1 VAL 82 1HG1 VAL 82 95.353 6.929 2.831 16 2HG1 VAL 82 2HG1 VAL 82 94.939 5.216 2.861 17 3HG1 VAL 82 3HG1 VAL 82 96.627 5.715 2.937 18 1HG2 VAL 82 1HG2 VAL 82 96.314 4.649 6.211 19 2HG2 VAL 82 2HG2 VAL 82 97.434 5.929 5.744 20 3HG2 VAL 82 3HG2 VAL 82 97.128 4.583 4.647 21 H ARG 83 H ARG 83 97.515 8.112 6.692 22 HA ARG 83 HA ARG 83 99.001 9.287 4.435 23 1HB ARG 83 2HB ARG 83 100.077 10.774 6.104 24 2HB ARG 83 1HB ARG 83 98.340 11.023 5.980 25 1HG ARG 83 2HG ARG 83 98.193 10.771 8.171 26 2HG ARG 83 1HG ARG 83 98.707 9.095 7.984 27 1HD ARG 83 2HD ARG 83 101.076 10.458 7.816 28 2HD ARG 83 1HD ARG 83 100.175 11.416 8.990 29 HE ARG 83 HE ARG 83 100.111 8.589 9.510 30 1HH1 ARG 83 1HH1 ARG 83 101.889 11.552 10.005 31 2HH1 ARG 83 2HH1 ARG 83 102.683 10.983 11.435 32 1HH2 ARG 83 1HH2 ARG 83 101.154 7.841 11.391 33 2HH2 ARG 83 2HH2 ARG 83 102.266 8.878 12.222 34 H CYS 84 H CYS 84 99.174 6.564 5.003 35 HA CYS 84 HA CYS 84 101.831 6.331 6.253 36 1HB CYS 84 2HB CYS 84 99.597 4.318 5.989 37 2HB CYS 84 1HB CYS 84 101.228 3.883 6.487 38 HG CYS 84 HG CYS 84 100.626 4.533 8.758 39 H MET 85 H MET 85 103.266 6.503 4.629 40 HA MET 85 HA MET 85 102.923 4.691 2.331 41 1HB MET 85 2HB MET 85 102.800 7.347 2.062 42 2HB MET 85 1HB MET 85 104.547 7.162 2.008 43 1HG MET 85 2HG MET 85 104.307 6.780 -0.162 44 2HG MET 85 1HG MET 85 103.656 5.205 0.291 45 1HE MET 85 1HE MET 85 102.807 8.595 -1.540 46 2HE MET 85 2HE MET 85 102.656 8.912 0.189 47 3HE MET 85 3HE MET 85 101.224 8.935 -0.840 48 H LYS 86 H LYS 86 104.966 4.037 1.300 49 HA LYS 86 HA LYS 86 107.365 4.272 2.922 50 1HB LYS 86 2HB LYS 86 105.842 1.715 2.549 51 2HB LYS 86 1HB LYS 86 107.592 1.679 2.721 52 1HG LYS 86 2HG LYS 86 107.072 3.173 4.829 53 2HG LYS 86 1HG LYS 86 105.501 2.377 4.709 54 1HD LYS 86 2HD LYS 86 106.421 0.254 5.038 55 2HD LYS 86 1HD LYS 86 108.051 0.797 4.635 56 1HE LYS 86 2HE LYS 86 107.548 2.366 6.762 57 2HE LYS 86 1HE LYS 86 106.562 0.965 7.179 58 1HZ LYS 86 1HZ LYS 86 109.260 0.401 6.255 59 2HZ LYS 86 2HZ LYS 86 108.367 -0.320 7.498 60 3HZ LYS 86 3HZ LYS 86 109.141 1.162 7.763 61 H ASP 87 H ASP 87 109.249 3.950 1.778 62 HA ASP 87 HA ASP 87 109.101 4.244 -1.038 63 1HB ASP 87 2HB ASP 87 111.231 4.116 1.003 64 2HB ASP 87 1HB ASP 87 111.708 3.592 -0.611 65 H ASP 88 H ASP 88 109.071 2.775 -2.611 66 HA ASP 88 HA ASP 88 108.902 -0.007 -1.979 67 1HB ASP 88 2HB ASP 88 108.090 1.629 -4.100 68 2HB ASP 88 1HB ASP 88 109.272 0.531 -4.805 69 H SER 89 H SER 89 110.172 -1.285 -4.053 70 HA SER 89 HA SER 89 112.946 -1.117 -3.180 71 1HB SER 89 2HB SER 89 111.356 -3.268 -3.606 72 2HB SER 89 1HB SER 89 112.164 -3.165 -5.169 73 HG SER 89 HG SER 89 113.312 -4.456 -3.644 74 H LYS 90 H LYS 90 112.423 1.078 -4.611 75 HA LYS 90 HA LYS 90 113.419 0.554 -7.326 76 1HB LYS 90 2HB LYS 90 112.240 3.125 -6.268 77 2HB LYS 90 1HB LYS 90 112.564 2.716 -7.947 78 1HG LYS 90 2HG LYS 90 110.891 0.821 -7.637 79 2HG LYS 90 1HG LYS 90 110.427 1.638 -6.142 80 1HD LYS 90 2HD LYS 90 110.581 3.377 -8.505 81 2HD LYS 90 1HD LYS 90 109.332 2.133 -8.580 82 1HE LYS 90 2HE LYS 90 108.891 2.995 -6.101 83 2HE LYS 90 1HE LYS 90 109.594 4.468 -6.769 84 1HZ LYS 90 1HZ LYS 90 107.813 4.825 -8.078 85 2HZ LYS 90 2HZ LYS 90 107.013 3.870 -6.935 86 3HZ LYS 90 3HZ LYS 90 107.548 3.183 -8.385 87 H GLY 91 H GLY 91 114.705 2.658 -8.116 88 1HA GLY 91 2HA GLY 91 117.117 2.647 -6.556 89 2HA GLY 91 1HA GLY 91 116.851 3.514 -8.060 90 H LYS 92 H LYS 92 117.509 3.906 -4.874 91 HA LYS 92 HA LYS 92 116.080 6.459 -4.646 92 1HB LYS 92 2HB LYS 92 117.476 4.731 -2.604 93 2HB LYS 92 1HB LYS 92 116.903 6.354 -2.248 94 1HG LYS 92 2HG LYS 92 115.120 4.162 -3.272 95 2HG LYS 92 1HG LYS 92 115.376 4.496 -1.558 96 1HD LYS 92 2HD LYS 92 114.563 6.721 -3.372 97 2HD LYS 92 1HD LYS 92 113.349 5.557 -2.837 98 1HE LYS 92 2HE LYS 92 113.706 6.091 -0.559 99 2HE LYS 92 1HE LYS 92 115.176 6.991 -0.928 100 1HZ LYS 92 1HZ LYS 92 113.407 8.335 -2.382 101 2HZ LYS 92 2HZ LYS 92 113.779 8.731 -0.781 102 3HZ LYS 92 3HZ LYS 92 112.399 7.817 -1.126 103 H THR 93 H THR 93 117.575 7.986 -3.105 104 HA THR 93 HA THR 93 119.964 8.456 -4.734 105 HB THR 93 HB THR 93 118.891 10.463 -4.796 106 HG1 THR 93 HG1 THR 93 120.832 10.916 -3.742 107 1HG2 THR 93 1HG2 THR 93 117.751 11.407 -2.646 108 2HG2 THR 93 2HG2 THR 93 117.671 9.706 -2.192 109 3HG2 THR 93 3HG2 THR 93 116.908 10.256 -3.682 110 H GLU 94 H GLU 94 119.431 9.562 -1.415 111 HA GLU 94 HA GLU 94 122.084 8.690 -0.696 112 1HB GLU 94 2HB GLU 94 119.952 10.339 0.585 113 2HB GLU 94 1HB GLU 94 121.184 9.625 1.616 114 1HG GLU 94 2HG GLU 94 122.518 11.315 1.134 115 2HG GLU 94 1HG GLU 94 122.548 10.782 -0.546 116 H GLU 95 H GLU 95 118.785 7.687 -0.116 117 HA GLU 95 HA GLU 95 119.385 5.896 2.026 118 1HB GLU 95 2HB GLU 95 116.995 6.018 0.181 119 2HB GLU 95 1HB GLU 95 117.096 5.036 1.634 120 1HG GLU 95 2HG GLU 95 116.391 6.733 2.858 121 2HG GLU 95 1HG GLU 95 117.755 7.713 2.321 122 H GLU 96 H GLU 96 119.393 5.661 -1.449 123 HA GLU 96 HA GLU 96 119.188 2.902 -1.781 124 1HB GLU 96 2HB GLU 96 120.167 3.213 -3.941 125 2HB GLU 96 1HB GLU 96 119.173 4.622 -3.603 126 1HG GLU 96 2HG GLU 96 120.922 5.860 -4.157 127 2HG GLU 96 1HG GLU 96 121.678 5.325 -2.658 128 H LEU 97 H LEU 97 121.870 4.862 -0.715 129 HA LEU 97 HA LEU 97 123.875 2.858 -1.052 130 1HB LEU 97 2HB LEU 97 123.724 5.470 0.409 131 2HB LEU 97 1HB LEU 97 125.085 4.397 0.667 132 HG LEU 97 HG LEU 97 124.277 5.394 -2.059 133 1HD1 LEU 97 1HD1 LEU 97 126.615 6.488 -0.572 134 2HD1 LEU 97 2HD1 LEU 97 125.007 7.136 -0.245 135 3HD1 LEU 97 3HD1 LEU 97 125.671 7.205 -1.876 136 1HD2 LEU 97 1HD2 LEU 97 125.735 3.285 -1.656 137 2HD2 LEU 97 2HD2 LEU 97 126.989 4.450 -1.230 138 3HD2 LEU 97 3HD2 LEU 97 126.258 4.489 -2.834 139 H SER 98 H SER 98 121.623 3.704 1.475 140 HA SER 98 HA SER 98 122.823 2.403 3.642 141 1HB SER 98 2HB SER 98 120.747 3.948 3.586 142 2HB SER 98 1HB SER 98 119.839 2.474 3.250 143 HG SER 98 HG SER 98 120.544 3.356 5.589 144 H ASP 99 H ASP 99 120.710 1.184 1.092 145 HA ASP 99 HA ASP 99 120.592 -1.462 2.240 146 1HB ASP 99 2HB ASP 99 118.767 -0.339 0.833 147 2HB ASP 99 1HB ASP 99 119.774 -0.710 -0.562 148 H LEU 100 H LEU 100 122.418 0.208 -0.236 149 HA LEU 100 HA LEU 100 123.561 -2.140 -1.393 150 1HB LEU 100 2HB LEU 100 123.925 0.785 -1.647 151 2HB LEU 100 1HB LEU 100 125.310 -0.203 -2.070 152 HG LEU 100 HG LEU 100 122.574 -0.609 -3.268 153 1HD1 LEU 100 1HD1 LEU 100 124.738 0.628 -4.853 154 2HD1 LEU 100 2HD1 LEU 100 123.949 1.651 -3.651 155 3HD1 LEU 100 3HD1 LEU 100 122.994 0.878 -4.917 156 1HD2 LEU 100 1HD2 LEU 100 125.320 -1.557 -4.079 157 2HD2 LEU 100 2HD2 LEU 100 123.829 -1.841 -4.975 158 3HD2 LEU 100 3HD2 LEU 100 124.042 -2.546 -3.373 159 H PHE 101 H PHE 101 124.393 -0.034 1.263 160 HA PHE 101 HA PHE 101 127.094 -0.760 1.561 161 1HB PHE 101 2HB PHE 101 126.126 1.186 2.690 162 2HB PHE 101 1HB PHE 101 125.106 0.131 3.662 163 HD1 PHE 101 HD1 PHE 101 125.873 -0.723 5.688 164 HD2 PHE 101 HD2 PHE 101 128.647 0.968 2.939 165 HE1 PHE 101 HE1 PHE 101 127.641 -0.863 7.393 166 HE2 PHE 101 HE2 PHE 101 130.421 0.831 4.640 167 HZ PHE 101 HZ PHE 101 129.919 -0.086 6.870 168 H ARG 102 H ARG 102 124.118 -2.289 2.586 169 HA ARG 102 HA ARG 102 125.186 -4.079 4.471 170 1HB ARG 102 2HB ARG 102 122.698 -3.488 3.766 171 2HB ARG 102 1HB ARG 102 122.894 -4.915 2.755 172 1HG ARG 102 2HG ARG 102 123.847 -5.539 5.355 173 2HG ARG 102 1HG ARG 102 122.266 -4.770 5.512 174 1HD ARG 102 2HD ARG 102 121.204 -6.412 4.264 175 2HD ARG 102 1HD ARG 102 122.701 -6.935 3.492 176 HE ARG 102 HE ARG 102 123.088 -8.336 5.263 177 1HH1 ARG 102 1HH1 ARG 102 120.583 -6.068 6.137 178 2HH1 ARG 102 2HH1 ARG 102 120.195 -6.876 7.617 179 1HH2 ARG 102 1HH2 ARG 102 122.576 -9.402 7.209 180 2HH2 ARG 102 2HH2 ARG 102 121.326 -8.769 8.227 181 H MET 103 H MET 103 124.984 -4.193 0.974 182 HA MET 103 HA MET 103 125.525 -6.909 0.577 183 1HB MET 103 2HB MET 103 125.809 -4.435 -1.051 184 2HB MET 103 1HB MET 103 126.667 -5.868 -1.600 185 1HG MET 103 2HG MET 103 124.653 -7.099 -1.813 186 2HG MET 103 1HG MET 103 123.729 -5.853 -0.977 187 1HE MET 103 1HE MET 103 122.052 -5.275 -2.187 188 2HE MET 103 2HE MET 103 121.953 -4.730 -3.862 189 3HE MET 103 3HE MET 103 122.550 -3.637 -2.612 190 H PHE 104 H PHE 104 127.698 -4.158 1.025 191 HA PHE 104 HA PHE 104 130.107 -5.528 0.514 192 1HB PHE 104 2HB PHE 104 129.365 -2.983 1.883 193 2HB PHE 104 1HB PHE 104 130.987 -3.619 2.135 194 HD1 PHE 104 HD1 PHE 104 128.729 -3.407 -0.831 195 HD2 PHE 104 HD2 PHE 104 132.515 -2.477 0.872 196 HE1 PHE 104 HE1 PHE 104 129.442 -2.418 -2.968 197 HE2 PHE 104 HE2 PHE 104 133.236 -1.485 -1.262 198 HZ PHE 104 HZ PHE 104 131.698 -1.455 -3.185 199 H ASP 105 H ASP 105 128.229 -5.044 3.462 200 HA ASP 105 HA ASP 105 130.183 -6.391 5.108 201 1HB ASP 105 2HB ASP 105 127.774 -4.813 5.532 202 2HB ASP 105 1HB ASP 105 127.818 -6.236 6.567 203 H LYS 106 H LYS 106 130.179 -8.473 5.743 204 HA LYS 106 HA LYS 106 128.301 -10.268 4.438 205 1HB LYS 106 2HB LYS 106 130.781 -10.790 6.084 206 2HB LYS 106 1HB LYS 106 129.797 -12.053 5.357 207 1HG LYS 106 2HG LYS 106 131.070 -9.857 3.750 208 2HG LYS 106 1HG LYS 106 131.875 -11.389 4.097 209 1HD LYS 106 2HD LYS 106 129.127 -11.518 2.994 210 2HD LYS 106 1HD LYS 106 130.411 -10.995 1.902 211 1HE LYS 106 2HE LYS 106 131.361 -13.038 1.833 212 2HE LYS 106 1HE LYS 106 131.039 -13.358 3.536 213 1HZ LYS 106 1HZ LYS 106 128.718 -13.296 1.788 214 2HZ LYS 106 2HZ LYS 106 129.079 -14.335 3.072 215 3HZ LYS 106 3HZ LYS 106 129.781 -14.593 1.555 216 H ASN 107 H ASN 107 129.575 -9.888 7.750 217 HA ASN 107 HA ASN 107 127.318 -11.349 8.830 218 1HB ASN 107 2HB ASN 107 128.462 -10.945 11.022 219 2HB ASN 107 1HB ASN 107 129.457 -11.783 9.836 220 1HD2 ASN 107 1HD2 ASN 107 131.125 -10.996 11.382 221 2HD2 ASN 107 2HD2 ASN 107 131.808 -9.437 11.092 222 H ALA 108 H ALA 108 128.061 -8.106 8.122 223 HA ALA 108 HA ALA 108 126.909 -6.169 8.436 224 1HB ALA 108 1HB ALA 108 124.707 -7.438 9.955 225 2HB ALA 108 2HB ALA 108 124.953 -7.978 8.295 226 3HB ALA 108 3HB ALA 108 124.651 -6.273 8.632 227 H ASP 109 H ASP 109 128.720 -5.768 9.934 228 HA ASP 109 HA ASP 109 127.897 -5.761 12.756 229 1HB ASP 109 2HB ASP 109 130.362 -5.327 13.176 230 2HB ASP 109 1HB ASP 109 129.966 -6.909 12.511 231 H GLY 110 H GLY 110 128.583 -3.736 10.053 232 1HA GLY 110 2HA GLY 110 127.562 -1.465 10.349 233 2HA GLY 110 1HA GLY 110 128.518 -1.367 11.821 234 H TYR 111 H TYR 111 130.777 -2.779 10.430 235 HA TYR 111 HA TYR 111 131.651 -0.600 8.657 236 1HB TYR 111 2HB TYR 111 133.381 -1.938 10.747 237 2HB TYR 111 1HB TYR 111 133.863 -0.637 9.665 238 HD1 TYR 111 HD1 TYR 111 132.958 1.642 9.991 239 HD2 TYR 111 HD2 TYR 111 132.142 -1.495 12.745 240 HE1 TYR 111 HE1 TYR 111 132.244 3.302 11.660 241 HE2 TYR 111 HE2 TYR 111 131.424 0.155 14.422 242 HH TYR 111 HH TYR 111 132.157 3.242 14.392 243 H ILE 112 H ILE 112 133.653 -1.246 7.397 244 HA ILE 112 HA ILE 112 133.606 -4.117 6.746 245 HB ILE 112 HB ILE 112 133.822 -1.914 4.693 246 1HG1 ILE 112 2HG1 ILE 112 131.467 -3.739 4.826 247 2HG1 ILE 112 1HG1 ILE 112 131.539 -2.408 5.976 248 1HG2 ILE 112 1HG2 ILE 112 134.961 -3.921 4.017 249 2HG2 ILE 112 2HG2 ILE 112 133.463 -3.776 3.097 250 3HG2 ILE 112 3HG2 ILE 112 133.564 -4.907 4.448 251 1HD1 ILE 112 1HD1 ILE 112 131.818 -2.030 3.011 252 2HD1 ILE 112 2HD1 ILE 112 131.546 -0.799 4.245 253 3HD1 ILE 112 3HD1 ILE 112 130.275 -1.959 3.861 254 H ASP 113 H ASP 113 135.552 -5.036 6.164 255 HA ASP 113 HA ASP 113 137.915 -3.290 6.167 256 1HB ASP 113 2HB ASP 113 137.318 -4.716 8.359 257 2HB ASP 113 1HB ASP 113 138.184 -5.954 7.455 258 H LEU 114 H LEU 114 139.922 -4.721 5.550 259 HA LEU 114 HA LEU 114 139.547 -5.569 2.906 260 1HB LEU 114 2HB LEU 114 141.689 -4.789 4.110 261 2HB LEU 114 1HB LEU 114 141.853 -6.460 4.614 262 HG LEU 114 HG LEU 114 141.757 -7.075 2.147 263 1HD1 LEU 114 1HD1 LEU 114 142.462 -4.184 1.731 264 2HD1 LEU 114 2HD1 LEU 114 140.829 -4.809 1.505 265 3HD1 LEU 114 3HD1 LEU 114 142.150 -5.423 0.515 266 1HD2 LEU 114 1HD2 LEU 114 143.955 -5.733 3.600 267 2HD2 LEU 114 2HD2 LEU 114 144.177 -5.976 1.867 268 3HD2 LEU 114 3HD2 LEU 114 143.867 -7.357 2.919 269 H GLU 115 H GLU 115 139.706 -7.373 5.929 270 HA GLU 115 HA GLU 115 139.835 -9.955 4.811 271 1HB GLU 115 2HB GLU 115 139.154 -8.808 7.465 272 2HB GLU 115 1HB GLU 115 138.595 -10.444 7.141 273 1HG GLU 115 2HG GLU 115 141.399 -9.935 6.447 274 2HG GLU 115 1HG GLU 115 141.016 -9.817 8.165 275 H GLU 116 H GLU 116 137.036 -8.171 6.122 276 HA GLU 116 HA GLU 116 135.105 -10.064 5.367 277 1HB GLU 116 2HB GLU 116 135.144 -7.540 6.644 278 2HB GLU 116 1HB GLU 116 134.000 -7.413 5.315 279 1HG GLU 116 2HG GLU 116 132.510 -8.320 6.681 280 2HG GLU 116 1HG GLU 116 133.375 -9.839 6.460 281 H LEU 117 H LEU 117 136.351 -7.202 3.702 282 HA LEU 117 HA LEU 117 134.586 -7.340 1.494 283 1HB LEU 117 2HB LEU 117 136.234 -5.453 2.346 284 2HB LEU 117 1HB LEU 117 137.329 -6.209 1.204 285 HG LEU 117 HG LEU 117 135.603 -5.863 -0.578 286 1HD1 LEU 117 1HD1 LEU 117 133.615 -4.870 -0.208 287 2HD1 LEU 117 2HD1 LEU 117 134.255 -3.807 1.047 288 3HD1 LEU 117 3HD1 LEU 117 133.854 -5.481 1.428 289 1HD2 LEU 117 1HD2 LEU 117 136.620 -3.413 0.856 290 2HD2 LEU 117 2HD2 LEU 117 136.033 -3.454 -0.807 291 3HD2 LEU 117 3HD2 LEU 117 137.485 -4.351 -0.361 292 H LYS 118 H LYS 118 137.632 -8.880 2.235 293 HA LYS 118 HA LYS 118 138.300 -9.740 -0.365 294 1HB LYS 118 2HB LYS 118 139.173 -10.313 2.377 295 2HB LYS 118 1HB LYS 118 139.345 -11.678 1.281 296 1HG LYS 118 2HG LYS 118 140.677 -10.324 -0.231 297 2HG LYS 118 1HG LYS 118 140.471 -8.922 0.820 298 1HD LYS 118 2HD LYS 118 142.506 -9.652 1.558 299 2HD LYS 118 1HD LYS 118 141.457 -10.587 2.626 300 1HE LYS 118 2HE LYS 118 142.392 -11.662 -0.017 301 2HE LYS 118 1HE LYS 118 143.366 -11.820 1.445 302 1HZ LYS 118 1HZ LYS 118 140.751 -13.029 0.825 303 2HZ LYS 118 2HZ LYS 118 141.219 -12.802 2.435 304 3HZ LYS 118 3HZ LYS 118 142.157 -13.769 1.410 305 H ILE 119 H ILE 119 136.053 -10.940 2.000 306 HA ILE 119 HA ILE 119 135.761 -13.557 0.911 307 HB ILE 119 HB ILE 119 133.748 -12.033 2.566 308 1HG1 ILE 119 2HG1 ILE 119 135.772 -13.968 3.662 309 2HG1 ILE 119 1HG1 ILE 119 136.167 -12.262 3.477 310 1HG2 ILE 119 1HG2 ILE 119 132.994 -14.119 1.403 311 2HG2 ILE 119 2HG2 ILE 119 132.864 -14.166 3.161 312 3HG2 ILE 119 3HG2 ILE 119 134.188 -15.005 2.351 313 1HD1 ILE 119 1HD1 ILE 119 133.840 -12.047 4.786 314 2HD1 ILE 119 2HD1 ILE 119 135.405 -12.166 5.588 315 3HD1 ILE 119 3HD1 ILE 119 134.396 -13.601 5.406 316 H MET 120 H MET 120 133.757 -10.617 0.699 317 HA MET 120 HA MET 120 131.848 -11.681 -1.070 318 1HB MET 120 2HB MET 120 131.207 -9.353 -1.495 319 2HB MET 120 1HB MET 120 131.444 -9.647 0.222 320 1HG MET 120 2HG MET 120 133.204 -8.250 0.361 321 2HG MET 120 1HG MET 120 133.796 -8.658 -1.248 322 1HE MET 120 1HE MET 120 133.201 -7.327 -3.435 323 2HE MET 120 2HE MET 120 134.342 -6.547 -2.340 324 3HE MET 120 3HE MET 120 133.082 -5.595 -3.126 325 H LEU 121 H LEU 121 135.010 -10.317 -1.598 326 HA LEU 121 HA LEU 121 134.752 -9.767 -4.358 327 1HB LEU 121 2HB LEU 121 136.939 -9.972 -2.400 328 2HB LEU 121 1HB LEU 121 137.403 -10.332 -4.050 329 HG LEU 121 HG LEU 121 135.857 -7.956 -4.125 330 1HD1 LEU 121 1HD1 LEU 121 137.648 -6.634 -2.716 331 2HD1 LEU 121 2HD1 LEU 121 137.699 -8.142 -1.803 332 3HD1 LEU 121 3HD1 LEU 121 136.177 -7.267 -1.976 333 1HD2 LEU 121 1HD2 LEU 121 137.927 -6.997 -4.992 334 2HD2 LEU 121 2HD2 LEU 121 137.617 -8.583 -5.694 335 3HD2 LEU 121 3HD2 LEU 121 138.825 -8.404 -4.422 336 H GLN 122 H GLN 122 135.494 -12.670 -2.554 337 HA GLN 122 HA GLN 122 136.567 -14.234 -4.612 338 1HB GLN 122 2HB GLN 122 134.974 -14.992 -2.160 339 2HB GLN 122 1HB GLN 122 135.709 -16.177 -3.232 340 1HG GLN 122 2HG GLN 122 137.531 -14.082 -2.297 341 2HG GLN 122 1HG GLN 122 136.890 -15.128 -1.030 342 1HE2 GLN 122 1HE2 GLN 122 139.605 -14.887 -2.088 343 2HE2 GLN 122 2HE2 GLN 122 140.047 -16.467 -2.630 344 H ALA 123 H ALA 123 133.269 -13.391 -3.828 345 HA ALA 123 HA ALA 123 131.939 -15.359 -5.328 346 1HB ALA 123 1HB ALA 123 130.915 -12.561 -4.932 347 2HB ALA 123 2HB ALA 123 130.955 -13.745 -3.626 348 3HB ALA 123 3HB ALA 123 129.995 -14.059 -5.072 349 H THR 124 H THR 124 133.314 -12.248 -6.227 350 HA THR 124 HA THR 124 132.177 -12.009 -8.777 351 HB THR 124 HB THR 124 133.841 -10.363 -9.220 352 HG1 THR 124 HG1 THR 124 135.345 -11.701 -7.239 353 1HG2 THR 124 1HG2 THR 124 133.556 -8.891 -7.511 354 2HG2 THR 124 2HG2 THR 124 133.827 -10.109 -6.265 355 3HG2 THR 124 3HG2 THR 124 132.287 -10.054 -7.126 356 H GLY 125 H GLY 125 132.831 -12.651 -10.807 357 1HA GLY 125 2HA GLY 125 134.221 -15.127 -10.971 358 2HA GLY 125 1HA GLY 125 133.666 -14.160 -12.330 359 H GLU 126 H GLU 126 135.154 -11.791 -11.565 360 HA GLU 126 HA GLU 126 137.592 -12.374 -12.891 361 1HB GLU 126 2HB GLU 126 136.954 -9.897 -11.287 362 2HB GLU 126 1HB GLU 126 138.128 -10.049 -12.587 363 1HG GLU 126 2HG GLU 126 135.654 -10.851 -13.650 364 2HG GLU 126 1HG GLU 126 135.352 -9.383 -12.720 365 H THR 127 H THR 127 139.677 -12.512 -12.128 366 HA THR 127 HA THR 127 139.939 -13.343 -9.366 367 HB THR 127 HB THR 127 142.117 -14.131 -9.970 368 HG1 THR 127 HG1 THR 127 141.821 -12.763 -12.433 369 1HG2 THR 127 1HG2 THR 127 140.469 -14.585 -12.437 370 2HG2 THR 127 2HG2 THR 127 140.181 -15.416 -10.907 371 3HG2 THR 127 3HG2 THR 127 141.715 -15.628 -11.752 372 H ILE 128 H ILE 128 140.223 -11.851 -7.848 373 HA ILE 128 HA ILE 128 141.855 -9.482 -8.482 374 HB ILE 128 HB ILE 128 139.891 -9.752 -6.208 375 1HG1 ILE 128 2HG1 ILE 128 138.721 -9.939 -8.364 376 2HG1 ILE 128 1HG1 ILE 128 138.344 -8.417 -7.562 377 1HG2 ILE 128 1HG2 ILE 128 140.656 -7.133 -7.333 378 2HG2 ILE 128 2HG2 ILE 128 141.906 -7.996 -6.439 379 3HG2 ILE 128 3HG2 ILE 128 140.371 -7.612 -5.660 380 1HD1 ILE 128 1HD1 ILE 128 140.432 -8.671 -9.704 381 2HD1 ILE 128 2HD1 ILE 128 139.726 -7.196 -9.043 382 3HD1 ILE 128 3HD1 ILE 128 138.744 -8.280 -10.029 383 H THR 129 H THR 129 143.598 -8.973 -7.243 384 HA THR 129 HA THR 129 144.525 -11.028 -5.398 385 HB THR 129 HB THR 129 146.144 -8.603 -6.026 386 HG1 THR 129 HG1 THR 129 146.771 -9.589 -7.999 387 1HG2 THR 129 1HG2 THR 129 147.427 -10.019 -4.780 388 2HG2 THR 129 2HG2 THR 129 147.831 -10.563 -6.409 389 3HG2 THR 129 3HG2 THR 129 146.667 -11.467 -5.439 390 H GLU 130 H GLU 130 145.853 -10.100 -3.471 391 HA GLU 130 HA GLU 130 144.015 -8.796 -1.754 392 1HB GLU 130 2HB GLU 130 146.866 -9.685 -1.512 393 2HB GLU 130 1HB GLU 130 146.172 -8.652 -0.269 394 1HG GLU 130 2HG GLU 130 144.272 -10.408 -0.217 395 2HG GLU 130 1HG GLU 130 145.445 -11.448 -1.024 396 H ASP 131 H ASP 131 146.705 -7.692 -3.692 397 HA ASP 131 HA ASP 131 146.976 -5.143 -2.456 398 1HB ASP 131 2HB ASP 131 148.156 -6.568 -4.701 399 2HB ASP 131 1HB ASP 131 147.888 -4.868 -5.075 400 H ASP 132 H ASP 132 145.102 -6.382 -5.167 401 HA ASP 132 HA ASP 132 144.216 -3.885 -6.150 402 1HB ASP 132 2HB ASP 132 143.451 -6.727 -6.519 403 2HB ASP 132 1HB ASP 132 142.222 -5.528 -6.917 404 H ILE 133 H ILE 133 143.018 -6.040 -3.652 405 HA ILE 133 HA ILE 133 140.507 -4.763 -3.293 406 HB ILE 133 HB ILE 133 142.042 -6.361 -1.242 407 1HG1 ILE 133 2HG1 ILE 133 139.906 -7.552 -2.960 408 2HG1 ILE 133 1HG1 ILE 133 141.519 -7.359 -3.642 409 1HG2 ILE 133 1HG2 ILE 133 139.110 -6.483 -1.360 410 2HG2 ILE 133 2HG2 ILE 133 139.778 -4.922 -0.883 411 3HG2 ILE 133 3HG2 ILE 133 140.190 -6.372 0.030 412 1HD1 ILE 133 1HD1 ILE 133 141.714 -8.528 -1.041 413 2HD1 ILE 133 2HD1 ILE 133 142.214 -9.179 -2.601 414 3HD1 ILE 133 3HD1 ILE 133 140.566 -9.437 -2.025 415 H GLU 134 H GLU 134 143.717 -4.228 -2.003 416 HA GLU 134 HA GLU 134 143.046 -2.581 0.169 417 1HB GLU 134 2HB GLU 134 145.506 -2.837 -1.540 418 2HB GLU 134 1HB GLU 134 145.412 -1.629 -0.265 419 1HG GLU 134 2HG GLU 134 145.066 -3.358 1.391 420 2HG GLU 134 1HG GLU 134 145.062 -4.592 0.131 421 H GLU 135 H GLU 135 143.322 -1.938 -3.252 422 HA GLU 135 HA GLU 135 143.413 0.892 -3.084 423 1HB GLU 135 2HB GLU 135 142.515 -0.938 -5.315 424 2HB GLU 135 1HB GLU 135 142.706 0.803 -5.483 425 1HG GLU 135 2HG GLU 135 145.125 0.208 -4.527 426 2HG GLU 135 1HG GLU 135 144.746 -1.325 -5.310 427 H LEU 136 H LEU 136 140.818 -1.449 -3.091 428 HA LEU 136 HA LEU 136 138.698 0.343 -3.637 429 1HB LEU 136 2HB LEU 136 139.006 -2.424 -3.064 430 2HB LEU 136 1HB LEU 136 137.798 -1.786 -1.965 431 HG LEU 136 HG LEU 136 137.534 -1.084 -4.842 432 1HD1 LEU 136 1HD1 LEU 136 138.057 -3.656 -4.381 433 2HD1 LEU 136 2HD1 LEU 136 136.891 -3.123 -5.591 434 3HD1 LEU 136 3HD1 LEU 136 136.335 -3.656 -4.004 435 1HD2 LEU 136 1HD2 LEU 136 135.123 -1.465 -4.227 436 2HD2 LEU 136 2HD2 LEU 136 135.928 -0.152 -3.369 437 3HD2 LEU 136 3HD2 LEU 136 135.664 -1.699 -2.566 438 H MET 137 H MET 137 140.351 -0.608 -0.694 439 HA MET 137 HA MET 137 138.471 0.834 0.986 440 1HB MET 137 2HB MET 137 139.715 -1.363 1.575 441 2HB MET 137 1HB MET 137 141.084 -0.317 1.920 442 1HG MET 137 2HG MET 137 140.182 0.459 3.824 443 2HG MET 137 1HG MET 137 138.549 0.492 3.163 444 1HE MET 137 1HE MET 137 136.863 -0.759 4.490 445 2HE MET 137 2HE MET 137 136.887 -2.522 4.494 446 3HE MET 137 3HE MET 137 136.996 -1.643 2.970 447 H LYS 138 H LYS 138 141.671 1.235 -0.368 448 HA LYS 138 HA LYS 138 142.572 3.364 1.212 449 1HB LYS 138 2HB LYS 138 143.882 1.988 -0.493 450 2HB LYS 138 1HB LYS 138 143.192 3.041 -1.720 451 1HG LYS 138 2HG LYS 138 144.149 4.947 -0.224 452 2HG LYS 138 1HG LYS 138 145.183 3.663 0.408 453 1HD LYS 138 2HD LYS 138 146.523 4.229 -1.312 454 2HD LYS 138 1HD LYS 138 145.411 3.236 -2.258 455 1HE LYS 138 2HE LYS 138 144.502 5.018 -3.303 456 2HE LYS 138 1HE LYS 138 144.590 6.036 -1.867 457 1HZ LYS 138 1HZ LYS 138 146.529 5.669 -4.004 458 2HZ LYS 138 2HZ LYS 138 147.164 5.822 -2.443 459 3HZ LYS 138 3HZ LYS 138 146.182 7.044 -3.081 460 H ASP 139 H ASP 139 140.687 3.345 -1.789 461 HA ASP 139 HA ASP 139 140.473 6.229 -1.790 462 1HB ASP 139 2HB ASP 139 139.350 6.000 -3.881 463 2HB ASP 139 1HB ASP 139 140.672 4.840 -3.886 464 H GLY 140 H GLY 140 138.728 3.582 -0.493 465 1HA GLY 140 2HA GLY 140 136.164 4.907 -0.434 466 2HA GLY 140 1HA GLY 140 136.577 3.391 0.352 467 H ASP 141 H ASP 141 138.931 4.657 1.668 468 HA ASP 141 HA ASP 141 137.472 5.737 3.941 469 1HB ASP 141 2HB ASP 141 139.343 3.959 4.051 470 2HB ASP 141 1HB ASP 141 140.449 5.310 3.824 471 H LYS 142 H LYS 142 137.645 7.786 4.721 472 HA LYS 142 HA LYS 142 139.157 9.689 3.059 473 1HB LYS 142 2HB LYS 142 136.805 10.319 4.844 474 2HB LYS 142 1HB LYS 142 137.547 11.369 3.644 475 1HG LYS 142 2HG LYS 142 136.145 8.789 2.989 476 2HG LYS 142 1HG LYS 142 135.379 10.378 2.947 477 1HD LYS 142 2HD LYS 142 137.526 10.893 1.433 478 2HD LYS 142 1HD LYS 142 137.358 9.168 1.106 479 1HE LYS 142 2HE LYS 142 135.414 9.433 -0.024 480 2HE LYS 142 1HE LYS 142 134.879 10.769 0.995 481 1HZ LYS 142 1HZ LYS 142 136.921 11.909 -0.257 482 2HZ LYS 142 2HZ LYS 142 135.337 11.947 -0.850 483 3HZ LYS 142 3HZ LYS 142 136.439 10.816 -1.455 484 H ASN 143 H ASN 143 138.280 8.857 6.382 485 HA ASN 143 HA ASN 143 140.138 10.812 7.456 486 1HB ASN 143 2HB ASN 143 139.358 9.899 9.669 487 2HB ASN 143 1HB ASN 143 138.085 10.587 8.664 488 1HD2 ASN 143 1HD2 ASN 143 138.322 8.397 10.807 489 2HD2 ASN 143 2HD2 ASN 143 137.417 7.088 10.134 490 H ASN 144 H ASN 144 140.223 7.567 6.455 491 HA ASN 144 HA ASN 144 141.855 5.988 6.496 492 1HB ASN 144 2HB ASN 144 143.264 8.476 7.041 493 2HB ASN 144 1HB ASN 144 144.049 7.100 7.810 494 1HD2 ASN 144 1HD2 ASN 144 143.874 8.891 5.055 495 2HD2 ASN 144 2HD2 ASN 144 144.549 7.761 3.936 496 H ASP 145 H ASP 145 140.307 5.089 8.112 497 HA ASP 145 HA ASP 145 141.494 4.977 10.805 498 1HB ASP 145 2HB ASP 145 139.273 4.287 11.603 499 2HB ASP 145 1HB ASP 145 139.202 5.843 10.780 500 H GLY 146 H GLY 146 140.639 3.141 8.003 501 1HA GLY 146 2HA GLY 146 141.953 1.042 7.794 502 2HA GLY 146 1HA GLY 146 141.417 0.668 9.424 503 H ARG 147 H ARG 147 138.709 1.773 8.812 504 HA ARG 147 HA ARG 147 137.731 -0.326 7.000 505 1HB ARG 147 2HB ARG 147 136.476 0.412 9.650 506 2HB ARG 147 1HB ARG 147 135.871 -0.787 8.515 507 1HG ARG 147 2HG ARG 147 137.614 -2.272 8.970 508 2HG ARG 147 1HG ARG 147 138.609 -1.018 9.712 509 1HD ARG 147 2HD ARG 147 136.455 -0.922 11.322 510 2HD ARG 147 1HD ARG 147 136.403 -2.619 10.848 511 HE ARG 147 HE ARG 147 138.999 -1.738 11.712 512 1HH1 ARG 147 1HH1 ARG 147 135.912 -2.997 12.748 513 2HH1 ARG 147 2HH1 ARG 147 136.539 -3.672 14.215 514 1HH2 ARG 147 1HH2 ARG 147 139.824 -2.624 13.642 515 2HH2 ARG 147 2HH2 ARG 147 138.759 -3.459 14.723 516 H ILE 148 H ILE 148 135.276 0.077 6.576 517 HA ILE 148 HA ILE 148 134.916 2.963 6.079 518 HB ILE 148 HB ILE 148 133.837 0.712 4.380 519 1HG1 ILE 148 2HG1 ILE 148 135.990 2.588 3.478 520 2HG1 ILE 148 1HG1 ILE 148 136.425 1.193 4.461 521 1HG2 ILE 148 1HG2 ILE 148 133.557 2.671 2.756 522 2HG2 ILE 148 2HG2 ILE 148 133.759 3.703 4.172 523 3HG2 ILE 148 3HG2 ILE 148 132.424 2.553 4.102 524 1HD1 ILE 148 1HD1 ILE 148 136.652 0.250 2.426 525 2HD1 ILE 148 2HD1 ILE 148 135.483 1.331 1.669 526 3HD1 ILE 148 3HD1 ILE 148 134.925 -0.036 2.635 527 H ASP 149 H ASP 149 132.840 3.830 6.293 528 HA ASP 149 HA ASP 149 130.797 2.081 7.472 529 1HB ASP 149 2HB ASP 149 130.273 3.795 9.157 530 2HB ASP 149 1HB ASP 149 131.928 3.217 9.325 531 H TYR 150 H TYR 150 128.726 3.643 7.821 532 HA TYR 150 HA TYR 150 127.747 4.165 5.257 533 1HB TYR 150 2HB TYR 150 126.341 3.701 7.259 534 2HB TYR 150 1HB TYR 150 126.720 5.312 7.862 535 HD1 TYR 150 HD1 TYR 150 124.640 3.365 5.650 536 HD2 TYR 150 HD2 TYR 150 125.935 7.314 6.564 537 HE1 TYR 150 HE1 TYR 150 122.736 4.276 4.387 538 HE2 TYR 150 HE2 TYR 150 124.035 8.236 5.305 539 HH TYR 150 HH TYR 150 121.405 6.353 4.303 540 H ASP 151 H ASP 151 128.971 6.394 7.734 541 HA ASP 151 HA ASP 151 128.466 8.784 6.372 542 1HB ASP 151 2HB ASP 151 130.211 7.936 8.609 543 2HB ASP 151 1HB ASP 151 130.679 9.423 7.789 544 H GLU 152 H GLU 152 131.378 6.747 6.411 545 HA GLU 152 HA GLU 152 132.864 8.382 4.635 546 1HB GLU 152 2HB GLU 152 133.216 5.426 5.156 547 2HB GLU 152 1HB GLU 152 134.422 6.532 4.509 548 1HG GLU 152 2HG GLU 152 134.512 7.722 6.607 549 2HG GLU 152 1HG GLU 152 133.222 6.716 7.263 550 H PHE 153 H PHE 153 130.932 5.442 4.155 551 HA PHE 153 HA PHE 153 131.446 5.125 1.417 552 1HB PHE 153 2HB PHE 153 130.156 3.631 3.224 553 2HB PHE 153 1HB PHE 153 128.761 4.377 2.452 554 HD1 PHE 153 HD1 PHE 153 127.761 2.938 0.979 555 HD2 PHE 153 HD2 PHE 153 132.012 3.039 1.193 556 HE1 PHE 153 HE1 PHE 153 127.889 1.290 -0.844 557 HE2 PHE 153 HE2 PHE 153 132.146 1.392 -0.629 558 HZ PHE 153 HZ PHE 153 130.082 0.515 -1.650 559 H LEU 154 H LEU 154 129.160 7.138 3.145 560 HA LEU 154 HA LEU 154 127.565 7.839 0.903 561 1HB LEU 154 2HB LEU 154 127.781 8.595 3.708 562 2HB LEU 154 1HB LEU 154 127.393 9.962 2.682 563 HG LEU 154 HG LEU 154 125.401 8.830 3.639 564 1HD1 LEU 154 1HD1 LEU 154 124.729 10.005 1.820 565 2HD1 LEU 154 2HD1 LEU 154 124.390 8.381 1.217 566 3HD1 LEU 154 3HD1 LEU 154 125.874 9.208 0.742 567 1HD2 LEU 154 1HD2 LEU 154 126.203 6.547 3.645 568 2HD2 LEU 154 2HD2 LEU 154 126.294 6.547 1.883 569 3HD2 LEU 154 3HD2 LEU 154 124.728 6.663 2.686 570 H GLU 155 H GLU 155 130.271 9.455 2.543 571 HA GLU 155 HA GLU 155 130.326 11.693 0.799 572 1HB GLU 155 2HB GLU 155 132.112 10.576 2.902 573 2HB GLU 155 1HB GLU 155 132.811 11.721 1.766 574 1HG GLU 155 2HG GLU 155 130.396 12.864 2.572 575 2HG GLU 155 1HG GLU 155 131.113 12.193 4.036 576 H PHE 156 H PHE 156 131.965 8.579 0.821 577 HA PHE 156 HA PHE 156 133.826 9.125 -1.225 578 1HB PHE 156 2HB PHE 156 134.075 7.205 0.262 579 2HB PHE 156 1HB PHE 156 132.595 6.494 -0.376 580 HD1 PHE 156 HD1 PHE 156 133.168 4.566 -1.495 581 HD2 PHE 156 HD2 PHE 156 135.507 8.072 -2.083 582 HE1 PHE 156 HE1 PHE 156 134.471 3.400 -3.226 583 HE2 PHE 156 HE2 PHE 156 136.814 6.913 -3.817 584 HZ PHE 156 HZ PHE 156 136.296 4.575 -4.391 585 H MET 157 H MET 157 130.576 7.699 -1.303 586 HA MET 157 HA MET 157 130.585 7.334 -4.138 587 1HB MET 157 2HB MET 157 128.914 6.606 -1.952 588 2HB MET 157 1HB MET 157 127.917 7.451 -3.127 589 1HG MET 157 2HG MET 157 127.718 5.389 -3.996 590 2HG MET 157 1HG MET 157 129.234 5.822 -4.782 591 1HE MET 157 1HE MET 157 129.358 3.194 -5.183 592 2HE MET 157 2HE MET 157 130.555 2.379 -4.177 593 3HE MET 157 3HE MET 157 130.953 3.910 -4.954 594 H LYS 158 H LYS 158 129.588 9.873 -1.954 595 HA LYS 158 HA LYS 158 128.120 11.338 -3.944 596 1HB LYS 158 2HB LYS 158 127.709 11.422 -1.442 597 2HB LYS 158 1HB LYS 158 129.172 12.392 -1.320 598 1HG LYS 158 2HG LYS 158 127.817 13.735 -3.246 599 2HG LYS 158 1HG LYS 158 126.492 13.124 -2.254 600 1HD LYS 158 2HD LYS 158 127.817 14.027 -0.258 601 2HD LYS 158 1HD LYS 158 128.766 14.915 -1.453 602 1HE LYS 158 2HE LYS 158 127.207 16.508 -1.192 603 2HE LYS 158 1HE LYS 158 126.229 15.488 -2.245 604 1HZ LYS 158 1HZ LYS 158 125.714 14.390 0.119 605 2HZ LYS 158 2HZ LYS 158 124.787 15.640 -0.544 606 3HZ LYS 158 3HZ LYS 158 125.979 15.989 0.603 607 H GLY 159 H GLY 159 130.202 11.004 -5.351 608 1HA GLY 159 2HA GLY 159 131.418 12.603 -6.663 609 2HA GLY 159 1HA GLY 159 131.676 13.548 -5.204 610 H VAL 160 H VAL 160 132.476 10.418 -6.683 611 HA VAL 160 HA VAL 160 134.589 9.762 -4.958 612 HB VAL 160 HB VAL 160 134.420 8.980 -7.866 613 1HG1 VAL 160 1HG1 VAL 160 136.384 8.055 -7.239 614 2HG1 VAL 160 2HG1 VAL 160 135.330 6.813 -6.563 615 3HG1 VAL 160 3HG1 VAL 160 135.975 8.084 -5.524 616 1HG2 VAL 160 1HG2 VAL 160 133.195 6.953 -6.935 617 2HG2 VAL 160 2HG2 VAL 160 132.284 8.459 -7.032 618 3HG2 VAL 160 3HG2 VAL 160 132.929 7.917 -5.484 619 H GLU 161 H GLU 161 134.460 11.743 -7.850 620 HA GLU 161 HA GLU 161 137.316 12.004 -8.070 621 1HB GLU 161 2HB GLU 161 135.203 13.736 -9.356 622 2HB GLU 161 1HB GLU 161 136.869 13.526 -9.875 623 1HG GLU 161 2HG GLU 161 136.006 10.974 -9.964 624 2HG GLU 161 1HG GLU 161 134.513 11.834 -10.336 Start of MODEL 7 1 1H MET 81 1HT MET 81 94.495 21.677 -9.885 2 2H MET 81 2HT MET 81 95.386 22.619 -11.009 3 3H MET 81 3HT MET 81 94.825 23.326 -9.549 4 HA MET 81 HA MET 81 97.027 22.956 -9.164 5 1HB MET 81 2HB MET 81 95.407 20.615 -8.144 6 2HB MET 81 1HB MET 81 97.000 21.044 -7.538 7 1HG MET 81 2HG MET 81 96.128 23.235 -6.850 8 2HG MET 81 1HG MET 81 94.528 22.754 -7.411 9 1HE MET 81 1HE MET 81 96.837 23.236 -4.937 10 2HE MET 81 2HE MET 81 96.779 21.970 -3.710 11 3HE MET 81 3HE MET 81 95.576 23.259 -3.704 12 H VAL 82 H VAL 82 95.552 20.354 -10.966 13 HA VAL 82 HA VAL 82 96.408 18.572 -12.124 14 HB VAL 82 HB VAL 82 98.173 19.171 -13.728 15 1HG1 VAL 82 1HG1 VAL 82 95.808 19.804 -14.107 16 2HG1 VAL 82 2HG1 VAL 82 96.955 20.886 -14.897 17 3HG1 VAL 82 3HG1 VAL 82 96.153 21.386 -13.407 18 1HG2 VAL 82 1HG2 VAL 82 99.288 21.263 -13.705 19 2HG2 VAL 82 2HG2 VAL 82 99.456 20.589 -12.084 20 3HG2 VAL 82 3HG2 VAL 82 98.278 21.866 -12.392 21 H ARG 83 H ARG 83 97.292 18.618 -9.405 22 HA ARG 83 HA ARG 83 99.542 16.838 -9.649 23 1HB ARG 83 2HB ARG 83 100.235 19.438 -9.326 24 2HB ARG 83 1HB ARG 83 100.072 18.946 -7.645 25 1HG ARG 83 2HG ARG 83 101.748 17.304 -7.858 26 2HG ARG 83 1HG ARG 83 101.735 17.411 -9.619 27 1HD ARG 83 2HD ARG 83 102.322 19.916 -8.178 28 2HD ARG 83 1HD ARG 83 103.543 18.652 -8.049 29 HE ARG 83 HE ARG 83 102.679 19.104 -10.743 30 1HH1 ARG 83 1HH1 ARG 83 104.839 20.209 -8.233 31 2HH1 ARG 83 2HH1 ARG 83 105.972 20.905 -9.343 32 1HH2 ARG 83 1HH2 ARG 83 104.169 20.020 -12.203 33 2HH2 ARG 83 2HH2 ARG 83 105.593 20.798 -11.596 34 H CYS 84 H CYS 84 98.928 15.175 -8.446 35 HA CYS 84 HA CYS 84 98.081 15.613 -5.702 36 1HB CYS 84 2HB CYS 84 96.092 15.413 -7.508 37 2HB CYS 84 1HB CYS 84 96.364 13.704 -7.185 38 HG CYS 84 HG CYS 84 94.558 14.927 -5.561 39 H MET 85 H MET 85 98.546 13.184 -8.258 40 HA MET 85 HA MET 85 99.075 11.017 -6.548 41 1HB MET 85 2HB MET 85 98.768 11.327 -9.246 42 2HB MET 85 1HB MET 85 100.491 10.997 -9.127 43 1HG MET 85 2HG MET 85 99.618 8.892 -9.384 44 2HG MET 85 1HG MET 85 99.749 9.016 -7.631 45 1HE MET 85 1HE MET 85 98.145 7.958 -6.343 46 2HE MET 85 2HE MET 85 97.877 6.809 -7.652 47 3HE MET 85 3HE MET 85 96.502 7.521 -6.810 48 H LYS 86 H LYS 86 101.359 13.039 -8.399 49 HA LYS 86 HA LYS 86 103.493 12.168 -6.576 50 1HB LYS 86 2HB LYS 86 103.718 11.866 -9.097 51 2HB LYS 86 1HB LYS 86 103.861 13.617 -9.193 52 1HG LYS 86 2HG LYS 86 105.713 13.069 -7.302 53 2HG LYS 86 1HG LYS 86 105.799 11.607 -8.288 54 1HD LYS 86 2HD LYS 86 105.808 14.297 -9.595 55 2HD LYS 86 1HD LYS 86 107.291 13.659 -8.881 56 1HE LYS 86 2HE LYS 86 106.647 11.518 -10.262 57 2HE LYS 86 1HE LYS 86 105.727 12.674 -11.221 58 1HZ LYS 86 1HZ LYS 86 108.062 13.933 -11.038 59 2HZ LYS 86 2HZ LYS 86 107.674 12.876 -12.299 60 3HZ LYS 86 3HZ LYS 86 108.599 12.329 -10.993 61 H ASP 87 H ASP 87 102.684 13.647 -4.935 62 HA ASP 87 HA ASP 87 103.021 16.491 -5.491 63 1HB ASP 87 2HB ASP 87 101.586 14.889 -3.496 64 2HB ASP 87 1HB ASP 87 102.394 16.299 -2.818 65 H ASP 88 H ASP 88 104.023 14.355 -2.812 66 HA ASP 88 HA ASP 88 106.507 15.921 -2.621 67 1HB ASP 88 2HB ASP 88 104.686 15.429 -0.654 68 2HB ASP 88 1HB ASP 88 105.822 14.106 -0.399 69 H SER 89 H SER 89 106.072 13.756 -4.510 70 HA SER 89 HA SER 89 107.646 11.543 -3.460 71 1HB SER 89 2HB SER 89 105.577 11.560 -5.198 72 2HB SER 89 1HB SER 89 106.925 11.607 -6.334 73 HG SER 89 HG SER 89 106.053 9.472 -5.450 74 H LYS 90 H LYS 90 109.784 11.667 -3.486 75 HA LYS 90 HA LYS 90 111.097 13.329 -5.513 76 1HB LYS 90 2HB LYS 90 113.094 13.145 -4.032 77 2HB LYS 90 1HB LYS 90 111.710 13.910 -3.261 78 1HG LYS 90 2HG LYS 90 111.234 11.966 -1.988 79 2HG LYS 90 1HG LYS 90 112.381 10.999 -2.918 80 1HD LYS 90 2HD LYS 90 113.519 11.478 -0.933 81 2HD LYS 90 1HD LYS 90 114.155 12.655 -2.084 82 1HE LYS 90 2HE LYS 90 112.012 13.987 -1.051 83 2HE LYS 90 1HE LYS 90 112.560 13.055 0.343 84 1HZ LYS 90 1HZ LYS 90 114.460 14.231 0.494 85 2HZ LYS 90 2HZ LYS 90 113.563 15.418 -0.311 86 3HZ LYS 90 3HZ LYS 90 114.625 14.426 -1.179 87 H GLY 91 H GLY 91 113.468 12.402 -5.934 88 1HA GLY 91 2HA GLY 91 113.020 9.889 -7.296 89 2HA GLY 91 1HA GLY 91 114.461 10.889 -7.396 90 H LYS 92 H LYS 92 116.233 10.133 -6.449 91 HA LYS 92 HA LYS 92 115.928 7.966 -4.483 92 1HB LYS 92 2HB LYS 92 117.932 8.530 -6.615 93 2HB LYS 92 1HB LYS 92 118.482 7.701 -5.166 94 1HG LYS 92 2HG LYS 92 116.817 5.956 -5.522 95 2HG LYS 92 1HG LYS 92 116.247 6.793 -6.968 96 1HD LYS 92 2HD LYS 92 118.498 6.546 -7.956 97 2HD LYS 92 1HD LYS 92 118.999 5.633 -6.531 98 1HE LYS 92 2HE LYS 92 117.148 4.019 -7.028 99 2HE LYS 92 1HE LYS 92 116.891 4.877 -8.546 100 1HZ LYS 92 1HZ LYS 92 118.502 2.789 -8.314 101 2HZ LYS 92 2HZ LYS 92 119.616 4.022 -7.998 102 3HZ LYS 92 3HZ LYS 92 118.750 4.017 -9.453 103 H THR 93 H THR 93 116.386 8.432 -2.444 104 HA THR 93 HA THR 93 117.991 10.814 -1.859 105 HB THR 93 HB THR 93 115.822 10.803 -0.804 106 HG1 THR 93 HG1 THR 93 116.479 11.035 1.326 107 1HG2 THR 93 1HG2 THR 93 115.593 8.989 1.100 108 2HG2 THR 93 2HG2 THR 93 116.533 8.032 -0.047 109 3HG2 THR 93 3HG2 THR 93 114.981 8.719 -0.533 110 H GLU 94 H GLU 94 119.158 10.524 0.405 111 HA GLU 94 HA GLU 94 121.325 8.812 -0.021 112 1HB GLU 94 2HB GLU 94 120.353 10.455 2.267 113 2HB GLU 94 1HB GLU 94 121.598 9.255 2.587 114 1HG GLU 94 2HG GLU 94 123.009 10.275 0.860 115 2HG GLU 94 1HG GLU 94 121.767 11.497 0.588 116 H GLU 95 H GLU 95 118.243 8.204 1.393 117 HA GLU 95 HA GLU 95 118.829 6.090 3.116 118 1HB GLU 95 2HB GLU 95 116.452 7.119 1.734 119 2HB GLU 95 1HB GLU 95 116.384 5.397 2.080 120 1HG GLU 95 2HG GLU 95 116.978 5.969 4.459 121 2HG GLU 95 1HG GLU 95 116.716 7.659 4.028 122 H GLU 96 H GLU 96 118.456 6.164 -0.376 123 HA GLU 96 HA GLU 96 118.345 3.356 -0.755 124 1HB GLU 96 2HB GLU 96 118.708 3.820 -3.094 125 2HB GLU 96 1HB GLU 96 117.602 5.020 -2.441 126 1HG GLU 96 2HG GLU 96 118.902 6.580 -3.312 127 2HG GLU 96 1HG GLU 96 120.131 6.137 -2.126 128 H LEU 97 H LEU 97 120.962 5.638 -0.386 129 HA LEU 97 HA LEU 97 123.050 4.041 -1.403 130 1HB LEU 97 2HB LEU 97 122.856 6.419 0.365 131 2HB LEU 97 1HB LEU 97 124.360 5.519 0.394 132 HG LEU 97 HG LEU 97 123.231 6.359 -2.242 133 1HD1 LEU 97 1HD1 LEU 97 125.049 8.193 -0.742 134 2HD1 LEU 97 2HD1 LEU 97 123.305 8.293 -0.501 135 3HD1 LEU 97 3HD1 LEU 97 123.989 8.532 -2.109 136 1HD2 LEU 97 1HD2 LEU 97 125.352 4.884 -1.677 137 2HD2 LEU 97 2HD2 LEU 97 126.101 6.469 -1.478 138 3HD2 LEU 97 3HD2 LEU 97 125.353 6.033 -3.015 139 H SER 98 H SER 98 121.361 4.039 1.635 140 HA SER 98 HA SER 98 123.212 2.745 3.268 141 1HB SER 98 2HB SER 98 120.320 2.032 3.502 142 2HB SER 98 1HB SER 98 121.478 2.452 4.763 143 HG SER 98 HG SER 98 121.401 4.632 3.776 144 H ASP 99 H ASP 99 121.142 1.498 0.749 145 HA ASP 99 HA ASP 99 121.431 -1.254 1.447 146 1HB ASP 99 2HB ASP 99 120.082 0.296 -0.598 147 2HB ASP 99 1HB ASP 99 120.850 -1.131 -1.288 148 H LEU 100 H LEU 100 123.111 0.953 -0.727 149 HA LEU 100 HA LEU 100 124.677 -0.900 -2.108 150 1HB LEU 100 2HB LEU 100 125.101 1.984 -1.374 151 2HB LEU 100 1HB LEU 100 126.298 1.089 -2.289 152 HG LEU 100 HG LEU 100 124.669 2.526 -3.610 153 1HD1 LEU 100 1HD1 LEU 100 124.230 0.446 -5.208 154 2HD1 LEU 100 2HD1 LEU 100 125.400 -0.298 -4.118 155 3HD1 LEU 100 3HD1 LEU 100 125.828 1.165 -5.005 156 1HD2 LEU 100 1HD2 LEU 100 122.806 0.257 -2.925 157 2HD2 LEU 100 2HD2 LEU 100 122.498 1.521 -4.116 158 3HD2 LEU 100 3HD2 LEU 100 122.637 1.933 -2.406 159 H PHE 101 H PHE 101 125.145 0.632 1.028 160 HA PHE 101 HA PHE 101 127.803 -0.275 1.428 161 1HB PHE 101 2HB PHE 101 126.854 1.613 2.682 162 2HB PHE 101 1HB PHE 101 125.712 0.526 3.465 163 HD1 PHE 101 HD1 PHE 101 126.261 -0.456 5.485 164 HD2 PHE 101 HD2 PHE 101 129.361 1.093 3.015 165 HE1 PHE 101 HE1 PHE 101 127.893 -0.880 7.276 166 HE2 PHE 101 HE2 PHE 101 130.999 0.669 4.802 167 HZ PHE 101 HZ PHE 101 130.266 -0.318 6.935 168 H ARG 102 H ARG 102 124.634 -1.546 2.354 169 HA ARG 102 HA ARG 102 125.501 -3.670 3.951 170 1HB ARG 102 2HB ARG 102 123.067 -2.696 3.156 171 2HB ARG 102 1HB ARG 102 123.132 -4.233 2.305 172 1HG ARG 102 2HG ARG 102 123.530 -5.394 4.411 173 2HG ARG 102 1HG ARG 102 123.489 -3.853 5.271 174 1HD ARG 102 2HD ARG 102 121.154 -3.580 4.205 175 2HD ARG 102 1HD ARG 102 121.255 -5.315 3.908 176 HE ARG 102 HE ARG 102 121.854 -5.069 6.548 177 1HH1 ARG 102 1HH1 ARG 102 119.190 -4.010 4.556 178 2HH1 ARG 102 2HH1 ARG 102 118.033 -4.094 5.841 179 1HH2 ARG 102 1HH2 ARG 102 120.333 -5.178 8.240 180 2HH2 ARG 102 2HH2 ARG 102 118.681 -4.755 7.933 181 H MET 103 H MET 103 125.352 -3.314 0.485 182 HA MET 103 HA MET 103 125.521 -6.022 -0.250 183 1HB MET 103 2HB MET 103 126.191 -3.431 -1.582 184 2HB MET 103 1HB MET 103 126.729 -4.931 -2.325 185 1HG MET 103 2HG MET 103 123.931 -4.993 -1.526 186 2HG MET 103 1HG MET 103 124.295 -3.724 -2.693 187 1HE MET 103 1HE MET 103 122.602 -6.764 -2.697 188 2HE MET 103 2HE MET 103 124.026 -7.520 -1.985 189 3HE MET 103 3HE MET 103 123.491 -7.991 -3.597 190 H PHE 104 H PHE 104 127.999 -3.643 0.554 191 HA PHE 104 HA PHE 104 130.184 -5.390 -0.086 192 1HB PHE 104 2HB PHE 104 129.925 -2.693 1.195 193 2HB PHE 104 1HB PHE 104 131.445 -3.571 1.319 194 HD1 PHE 104 HD1 PHE 104 132.672 -4.194 -0.759 195 HD2 PHE 104 HD2 PHE 104 129.298 -1.600 -0.795 196 HE1 PHE 104 HE1 PHE 104 133.324 -3.383 -2.990 197 HE2 PHE 104 HE2 PHE 104 129.944 -0.785 -3.024 198 HZ PHE 104 HZ PHE 104 131.958 -1.677 -4.125 199 H ASP 105 H ASP 105 128.584 -4.330 2.892 200 HA ASP 105 HA ASP 105 130.286 -5.589 4.719 201 1HB ASP 105 2HB ASP 105 127.657 -4.342 4.768 202 2HB ASP 105 1HB ASP 105 127.756 -5.705 5.878 203 H LYS 106 H LYS 106 130.776 -7.669 4.849 204 HA LYS 106 HA LYS 106 129.110 -9.701 3.691 205 1HB LYS 106 2HB LYS 106 131.599 -9.786 3.662 206 2HB LYS 106 1HB LYS 106 131.579 -10.018 5.405 207 1HG LYS 106 2HG LYS 106 131.842 -12.162 4.544 208 2HG LYS 106 1HG LYS 106 130.124 -12.066 4.935 209 1HD LYS 106 2HD LYS 106 130.817 -11.196 2.217 210 2HD LYS 106 1HD LYS 106 131.129 -12.901 2.548 211 1HE LYS 106 2HE LYS 106 128.834 -13.209 3.272 212 2HE LYS 106 1HE LYS 106 128.509 -11.491 3.045 213 1HZ LYS 106 1HZ LYS 106 128.681 -11.698 0.736 214 2HZ LYS 106 2HZ LYS 106 127.784 -13.051 1.210 215 3HZ LYS 106 3HZ LYS 106 129.423 -13.216 0.822 216 H ASN 107 H ASN 107 130.475 -9.466 6.977 217 HA ASN 107 HA ASN 107 128.427 -11.165 8.047 218 1HB ASN 107 2HB ASN 107 129.521 -10.555 10.258 219 2HB ASN 107 1HB ASN 107 130.562 -11.340 9.074 220 1HD2 ASN 107 1HD2 ASN 107 129.584 -8.145 10.232 221 2HD2 ASN 107 2HD2 ASN 107 131.123 -7.397 9.996 222 H ALA 108 H ALA 108 128.782 -7.780 7.563 223 HA ALA 108 HA ALA 108 127.377 -6.030 7.942 224 1HB ALA 108 1HB ALA 108 125.339 -7.893 9.107 225 2HB ALA 108 2HB ALA 108 125.654 -7.855 7.373 226 3HB ALA 108 3HB ALA 108 125.093 -6.401 8.199 227 H ASP 109 H ASP 109 129.075 -5.624 9.611 228 HA ASP 109 HA ASP 109 127.977 -5.816 12.337 229 1HB ASP 109 2HB ASP 109 130.263 -5.622 13.155 230 2HB ASP 109 1HB ASP 109 130.140 -6.959 12.015 231 H GLY 110 H GLY 110 128.778 -3.662 9.811 232 1HA GLY 110 2HA GLY 110 127.738 -1.413 10.186 233 2HA GLY 110 1HA GLY 110 128.656 -1.382 11.685 234 H TYR 111 H TYR 111 130.939 -2.741 10.249 235 HA TYR 111 HA TYR 111 131.861 -0.463 8.633 236 1HB TYR 111 2HB TYR 111 133.525 -1.946 10.680 237 2HB TYR 111 1HB TYR 111 134.067 -0.610 9.668 238 HD1 TYR 111 HD1 TYR 111 133.803 1.607 10.383 239 HD2 TYR 111 HD2 TYR 111 131.663 -1.492 12.362 240 HE1 TYR 111 HE1 TYR 111 133.094 3.208 12.110 241 HE2 TYR 111 HE2 TYR 111 130.948 0.100 14.094 242 HH TYR 111 HH TYR 111 131.281 3.456 13.757 243 H ILE 112 H ILE 112 133.970 -1.087 7.451 244 HA ILE 112 HA ILE 112 133.825 -3.886 6.552 245 HB ILE 112 HB ILE 112 134.293 -1.549 4.703 246 1HG1 ILE 112 2HG1 ILE 112 131.784 -3.216 4.960 247 2HG1 ILE 112 1HG1 ILE 112 131.971 -1.614 5.667 248 1HG2 ILE 112 1HG2 ILE 112 135.068 -4.085 4.344 249 2HG2 ILE 112 2HG2 ILE 112 134.552 -3.040 3.021 250 3HG2 ILE 112 3HG2 ILE 112 133.422 -4.196 3.725 251 1HD1 ILE 112 1HD1 ILE 112 132.103 -2.281 2.736 252 2HD1 ILE 112 2HD1 ILE 112 132.300 -0.675 3.438 253 3HD1 ILE 112 3HD1 ILE 112 130.755 -1.514 3.575 254 H ASP 113 H ASP 113 135.745 -4.889 6.181 255 HA ASP 113 HA ASP 113 138.194 -3.272 6.323 256 1HB ASP 113 2HB ASP 113 137.470 -4.536 8.508 257 2HB ASP 113 1HB ASP 113 138.102 -5.947 7.667 258 H LEU 114 H LEU 114 140.156 -4.698 5.744 259 HA LEU 114 HA LEU 114 139.856 -5.601 3.116 260 1HB LEU 114 2HB LEU 114 141.966 -4.935 4.641 261 2HB LEU 114 1HB LEU 114 142.116 -6.681 4.694 262 HG LEU 114 HG LEU 114 143.498 -5.865 2.919 263 1HD1 LEU 114 1HD1 LEU 114 140.967 -7.066 1.804 264 2HD1 LEU 114 2HD1 LEU 114 142.340 -7.950 2.467 265 3HD1 LEU 114 3HD1 LEU 114 142.528 -7.015 0.984 266 1HD2 LEU 114 1HD2 LEU 114 141.026 -4.430 1.967 267 2HD2 LEU 114 2HD2 LEU 114 142.495 -4.613 1.008 268 3HD2 LEU 114 3HD2 LEU 114 142.537 -3.711 2.524 269 H GLU 115 H GLU 115 140.102 -7.414 6.152 270 HA GLU 115 HA GLU 115 140.141 -9.988 5.058 271 1HB GLU 115 2HB GLU 115 139.318 -10.729 7.283 272 2HB GLU 115 1HB GLU 115 140.685 -9.627 7.382 273 1HG GLU 115 2HG GLU 115 138.783 -7.824 7.604 274 2HG GLU 115 1HG GLU 115 137.850 -9.213 8.158 275 H GLU 116 H GLU 116 137.402 -7.997 6.129 276 HA GLU 116 HA GLU 116 135.432 -9.939 5.447 277 1HB GLU 116 2HB GLU 116 135.133 -8.088 7.120 278 2HB GLU 116 1HB GLU 116 135.043 -6.961 5.772 279 1HG GLU 116 2HG GLU 116 133.113 -8.338 4.909 280 2HG GLU 116 1HG GLU 116 133.133 -9.170 6.464 281 H LEU 117 H LEU 117 136.873 -7.195 3.787 282 HA LEU 117 HA LEU 117 135.068 -7.154 1.599 283 1HB LEU 117 2HB LEU 117 136.793 -5.377 2.405 284 2HB LEU 117 1HB LEU 117 137.917 -6.257 1.388 285 HG LEU 117 HG LEU 117 136.512 -5.834 -0.568 286 1HD1 LEU 117 1HD1 LEU 117 134.639 -4.181 -0.319 287 2HD1 LEU 117 2HD1 LEU 117 134.741 -4.436 1.423 288 3HD1 LEU 117 3HD1 LEU 117 134.328 -5.781 0.357 289 1HD2 LEU 117 1HD2 LEU 117 136.600 -3.176 -0.263 290 2HD2 LEU 117 2HD2 LEU 117 138.035 -4.161 -0.548 291 3HD2 LEU 117 3HD2 LEU 117 137.624 -3.657 1.091 292 H LYS 118 H LYS 118 137.959 -8.974 2.314 293 HA LYS 118 HA LYS 118 138.494 -9.882 -0.314 294 1HB LYS 118 2HB LYS 118 139.832 -10.023 2.028 295 2HB LYS 118 1HB LYS 118 139.189 -11.658 1.950 296 1HG LYS 118 2HG LYS 118 140.154 -11.405 -0.553 297 2HG LYS 118 1HG LYS 118 141.272 -10.362 0.328 298 1HD LYS 118 2HD LYS 118 141.867 -12.151 1.812 299 2HD LYS 118 1HD LYS 118 140.613 -13.193 1.134 300 1HE LYS 118 2HE LYS 118 142.020 -12.552 -1.094 301 2HE LYS 118 1HE LYS 118 143.298 -12.549 0.122 302 1HZ LYS 118 1HZ LYS 118 141.413 -14.788 -0.393 303 2HZ LYS 118 2HZ LYS 118 142.655 -14.786 0.755 304 3HZ LYS 118 3HZ LYS 118 143.028 -14.728 -0.892 305 H ILE 119 H ILE 119 136.240 -10.875 2.132 306 HA ILE 119 HA ILE 119 135.737 -13.491 1.139 307 HB ILE 119 HB ILE 119 133.857 -11.761 2.745 308 1HG1 ILE 119 2HG1 ILE 119 135.822 -13.774 3.838 309 2HG1 ILE 119 1HG1 ILE 119 136.204 -12.060 3.703 310 1HG2 ILE 119 1HG2 ILE 119 134.062 -14.760 2.720 311 2HG2 ILE 119 2HG2 ILE 119 132.996 -13.870 1.632 312 3HG2 ILE 119 3HG2 ILE 119 132.770 -13.755 3.377 313 1HD1 ILE 119 1HD1 ILE 119 134.128 -11.643 5.093 314 2HD1 ILE 119 2HD1 ILE 119 135.500 -12.385 5.913 315 3HD1 ILE 119 3HD1 ILE 119 134.128 -13.375 5.417 316 H MET 120 H MET 120 134.097 -10.369 0.705 317 HA MET 120 HA MET 120 132.019 -11.339 -0.934 318 1HB MET 120 2HB MET 120 131.608 -9.014 -1.504 319 2HB MET 120 1HB MET 120 131.934 -9.165 0.218 320 1HG MET 120 2HG MET 120 133.794 -7.922 0.112 321 2HG MET 120 1HG MET 120 134.291 -8.609 -1.433 322 1HE MET 120 1HE MET 120 132.451 -6.871 -4.053 323 2HE MET 120 2HE MET 120 133.531 -8.150 -3.500 324 3HE MET 120 3HE MET 120 134.151 -6.518 -3.749 325 H LEU 121 H LEU 121 135.317 -10.459 -1.597 326 HA LEU 121 HA LEU 121 135.084 -10.062 -4.385 327 1HB LEU 121 2HB LEU 121 137.024 -9.377 -2.957 328 2HB LEU 121 1HB LEU 121 137.494 -11.065 -2.872 329 HG LEU 121 HG LEU 121 137.135 -10.078 -5.610 330 1HD1 LEU 121 1HD1 LEU 121 138.741 -8.482 -5.724 331 2HD1 LEU 121 2HD1 LEU 121 139.646 -9.136 -4.358 332 3HD1 LEU 121 3HD1 LEU 121 138.192 -8.177 -4.076 333 1HD2 LEU 121 1HD2 LEU 121 138.729 -11.608 -6.064 334 2HD2 LEU 121 2HD2 LEU 121 138.290 -12.227 -4.470 335 3HD2 LEU 121 3HD2 LEU 121 139.696 -11.178 -4.653 336 H GLN 122 H GLN 122 135.393 -12.915 -2.398 337 HA GLN 122 HA GLN 122 136.224 -14.757 -4.331 338 1HB GLN 122 2HB GLN 122 134.569 -15.052 -1.832 339 2HB GLN 122 1HB GLN 122 134.990 -16.432 -2.837 340 1HG GLN 122 2HG GLN 122 137.412 -15.229 -2.480 341 2HG GLN 122 1HG GLN 122 136.612 -14.919 -0.941 342 1HE2 GLN 122 1HE2 GLN 122 138.435 -17.084 -2.672 343 2HE2 GLN 122 2HE2 GLN 122 138.167 -18.497 -1.714 344 H ALA 123 H ALA 123 133.089 -13.369 -3.667 345 HA ALA 123 HA ALA 123 131.477 -15.202 -5.048 346 1HB ALA 123 1HB ALA 123 131.033 -12.240 -4.701 347 2HB ALA 123 2HB ALA 123 130.593 -13.485 -3.533 348 3HB ALA 123 3HB ALA 123 129.806 -13.438 -5.112 349 H THR 124 H THR 124 133.017 -12.196 -6.161 350 HA THR 124 HA THR 124 132.050 -12.257 -8.788 351 HB THR 124 HB THR 124 133.985 -10.774 -9.309 352 HG1 THR 124 HG1 THR 124 134.682 -11.174 -6.592 353 1HG2 THR 124 1HG2 THR 124 133.438 -9.343 -6.994 354 2HG2 THR 124 2HG2 THR 124 131.972 -10.269 -7.319 355 3HG2 THR 124 3HG2 THR 124 132.630 -9.199 -8.556 356 H GLY 125 H GLY 125 132.951 -12.980 -10.729 357 1HA GLY 125 2HA GLY 125 134.713 -15.300 -10.411 358 2HA GLY 125 1HA GLY 125 133.709 -14.949 -11.810 359 H GLU 126 H GLU 126 135.729 -12.513 -10.343 360 HA GLU 126 HA GLU 126 137.288 -12.386 -12.815 361 1HB GLU 126 2HB GLU 126 137.064 -10.430 -10.521 362 2HB GLU 126 1HB GLU 126 138.011 -10.170 -11.980 363 1HG GLU 126 2HG GLU 126 135.680 -10.653 -13.134 364 2HG GLU 126 1HG GLU 126 135.076 -10.087 -11.576 365 H THR 127 H THR 127 139.638 -11.578 -12.416 366 HA THR 127 HA THR 127 140.854 -13.458 -10.518 367 HB THR 127 HB THR 127 142.939 -13.037 -11.898 368 HG1 THR 127 HG1 THR 127 141.100 -11.907 -13.729 369 1HG2 THR 127 1HG2 THR 127 140.934 -14.818 -12.341 370 2HG2 THR 127 2HG2 THR 127 142.479 -14.789 -13.195 371 3HG2 THR 127 3HG2 THR 127 141.062 -14.016 -13.907 372 H ILE 128 H ILE 128 140.408 -11.951 -8.757 373 HA ILE 128 HA ILE 128 142.252 -9.655 -8.708 374 HB ILE 128 HB ILE 128 139.908 -10.100 -6.863 375 1HG1 ILE 128 2HG1 ILE 128 139.979 -8.245 -9.246 376 2HG1 ILE 128 1HG1 ILE 128 139.291 -9.863 -9.319 377 1HG2 ILE 128 1HG2 ILE 128 141.352 -8.600 -5.831 378 2HG2 ILE 128 2HG2 ILE 128 140.219 -7.547 -6.677 379 3HG2 ILE 128 3HG2 ILE 128 141.818 -7.849 -7.356 380 1HD1 ILE 128 1HD1 ILE 128 137.739 -9.208 -7.489 381 2HD1 ILE 128 2HD1 ILE 128 137.522 -8.307 -8.990 382 3HD1 ILE 128 3HD1 ILE 128 138.357 -7.561 -7.628 383 H THR 129 H THR 129 143.549 -9.302 -6.879 384 HA THR 129 HA THR 129 144.003 -11.714 -5.256 385 HB THR 129 HB THR 129 146.294 -10.943 -4.969 386 HG1 THR 129 HG1 THR 129 145.454 -8.717 -6.506 387 1HG2 THR 129 1HG2 THR 129 145.691 -10.632 -7.889 388 2HG2 THR 129 2HG2 THR 129 145.666 -12.193 -7.069 389 3HG2 THR 129 3HG2 THR 129 147.157 -11.252 -7.129 390 H GLU 130 H GLU 130 145.419 -10.825 -3.181 391 HA GLU 130 HA GLU 130 143.443 -9.503 -1.581 392 1HB GLU 130 2HB GLU 130 145.132 -11.355 -0.896 393 2HB GLU 130 1HB GLU 130 146.262 -10.024 -0.687 394 1HG GLU 130 2HG GLU 130 143.975 -9.203 0.651 395 2HG GLU 130 1HG GLU 130 144.120 -10.918 1.029 396 H ASP 131 H ASP 131 146.427 -8.589 -3.151 397 HA ASP 131 HA ASP 131 146.760 -6.118 -1.764 398 1HB ASP 131 2HB ASP 131 148.119 -7.584 -3.876 399 2HB ASP 131 1HB ASP 131 148.057 -5.858 -4.220 400 H ASP 132 H ASP 132 145.027 -7.134 -4.620 401 HA ASP 132 HA ASP 132 144.588 -4.558 -5.718 402 1HB ASP 132 2HB ASP 132 143.420 -7.273 -6.119 403 2HB ASP 132 1HB ASP 132 142.526 -5.887 -6.736 404 H ILE 133 H ILE 133 142.857 -6.524 -3.372 405 HA ILE 133 HA ILE 133 140.489 -5.003 -3.264 406 HB ILE 133 HB ILE 133 141.725 -6.578 -1.002 407 1HG1 ILE 133 2HG1 ILE 133 139.597 -7.729 -2.734 408 2HG1 ILE 133 1HG1 ILE 133 141.222 -7.646 -3.409 409 1HG2 ILE 133 1HG2 ILE 133 139.511 -6.738 -0.116 410 2HG2 ILE 133 2HG2 ILE 133 138.827 -5.962 -1.544 411 3HG2 ILE 133 3HG2 ILE 133 139.843 -5.036 -0.440 412 1HD1 ILE 133 1HD1 ILE 133 141.682 -8.699 -0.934 413 2HD1 ILE 133 2HD1 ILE 133 141.516 -9.621 -2.428 414 3HD1 ILE 133 3HD1 ILE 133 140.126 -9.406 -1.364 415 H GLU 134 H GLU 134 143.628 -4.580 -1.797 416 HA GLU 134 HA GLU 134 142.960 -2.797 0.254 417 1HB GLU 134 2HB GLU 134 145.467 -3.152 -1.380 418 2HB GLU 134 1HB GLU 134 145.358 -1.973 -0.079 419 1HG GLU 134 2HG GLU 134 144.714 -3.871 1.438 420 2HG GLU 134 1HG GLU 134 145.137 -4.963 0.120 421 H GLU 135 H GLU 135 143.333 -2.324 -3.183 422 HA GLU 135 HA GLU 135 143.597 0.483 -3.193 423 1HB GLU 135 2HB GLU 135 142.856 -1.597 -5.185 424 2HB GLU 135 1HB GLU 135 142.418 0.064 -5.559 425 1HG GLU 135 2HG GLU 135 144.765 0.728 -5.260 426 2HG GLU 135 1HG GLU 135 145.184 -0.957 -4.954 427 H LEU 136 H LEU 136 140.816 -1.641 -3.006 428 HA LEU 136 HA LEU 136 138.842 0.321 -3.551 429 1HB LEU 136 2HB LEU 136 138.887 -2.431 -2.451 430 2HB LEU 136 1HB LEU 136 137.487 -1.453 -2.057 431 HG LEU 136 HG LEU 136 137.727 -1.071 -4.773 432 1HD1 LEU 136 1HD1 LEU 136 139.447 -2.783 -4.946 433 2HD1 LEU 136 2HD1 LEU 136 137.962 -3.304 -5.744 434 3HD1 LEU 136 3HD1 LEU 136 138.383 -3.948 -4.157 435 1HD2 LEU 136 1HD2 LEU 136 135.921 -3.043 -4.694 436 2HD2 LEU 136 2HD2 LEU 136 135.588 -1.409 -4.117 437 3HD2 LEU 136 3HD2 LEU 136 136.022 -2.678 -2.971 438 H MET 137 H MET 137 140.527 -0.678 -0.651 439 HA MET 137 HA MET 137 138.797 0.745 1.144 440 1HB MET 137 2HB MET 137 141.537 -0.472 1.514 441 2HB MET 137 1HB MET 137 140.617 0.278 2.811 442 1HG MET 137 2HG MET 137 138.882 -1.561 1.610 443 2HG MET 137 1HG MET 137 140.438 -2.377 1.741 444 1HE MET 137 1HE MET 137 137.579 -0.678 4.557 445 2HE MET 137 2HE MET 137 137.270 -2.411 4.441 446 3HE MET 137 3HE MET 137 137.365 -1.431 2.977 447 H LYS 138 H LYS 138 141.728 1.439 -0.623 448 HA LYS 138 HA LYS 138 142.605 3.690 0.792 449 1HB LYS 138 2HB LYS 138 143.377 2.316 -1.516 450 2HB LYS 138 1HB LYS 138 143.035 3.951 -2.066 451 1HG LYS 138 2HG LYS 138 144.527 4.752 -0.187 452 2HG LYS 138 1HG LYS 138 145.020 3.069 0.007 453 1HD LYS 138 2HD LYS 138 146.604 3.589 -1.500 454 2HD LYS 138 1HD LYS 138 145.303 3.406 -2.678 455 1HE LYS 138 2HE LYS 138 145.223 5.609 -3.111 456 2HE LYS 138 1HE LYS 138 145.437 6.049 -1.416 457 1HZ LYS 138 1HZ LYS 138 147.859 5.128 -1.981 458 2HZ LYS 138 2HZ LYS 138 147.422 6.751 -2.177 459 3HZ LYS 138 3HZ LYS 138 147.424 5.710 -3.509 460 H ASP 139 H ASP 139 140.489 3.479 -2.064 461 HA ASP 139 HA ASP 139 139.884 6.304 -1.906 462 1HB ASP 139 2HB ASP 139 138.682 6.015 -3.947 463 2HB ASP 139 1HB ASP 139 140.145 5.046 -4.080 464 H GLY 140 H GLY 140 138.539 3.342 -0.767 465 1HA GLY 140 2HA GLY 140 135.850 4.314 -0.469 466 2HA GLY 140 1HA GLY 140 136.501 2.826 0.199 467 H ASP 141 H ASP 141 138.736 4.329 1.481 468 HA ASP 141 HA ASP 141 137.244 5.131 3.857 469 1HB ASP 141 2HB ASP 141 139.336 3.518 3.723 470 2HB ASP 141 1HB ASP 141 140.231 5.035 3.786 471 H LYS 142 H LYS 142 136.981 7.181 4.444 472 HA LYS 142 HA LYS 142 138.581 9.235 3.072 473 1HB LYS 142 2HB LYS 142 135.802 9.360 4.248 474 2HB LYS 142 1HB LYS 142 136.678 10.771 3.671 475 1HG LYS 142 2HG LYS 142 135.840 8.393 2.026 476 2HG LYS 142 1HG LYS 142 135.123 10.005 1.991 477 1HD LYS 142 2HD LYS 142 137.347 10.895 1.286 478 2HD LYS 142 1HD LYS 142 137.915 9.229 1.157 479 1HE LYS 142 2HE LYS 142 137.237 9.417 -0.979 480 2HE LYS 142 1HE LYS 142 135.641 9.102 -0.302 481 1HZ LYS 142 1HZ LYS 142 136.709 11.847 -0.580 482 2HZ LYS 142 2HZ LYS 142 135.105 11.366 -0.348 483 3HZ LYS 142 3HZ LYS 142 135.864 11.084 -1.833 484 H ASN 143 H ASN 143 137.528 8.026 6.166 485 HA ASN 143 HA ASN 143 138.620 10.270 7.630 486 1HB ASN 143 2HB ASN 143 137.475 7.633 8.575 487 2HB ASN 143 1HB ASN 143 137.978 8.946 9.636 488 1HD2 ASN 143 1HD2 ASN 143 136.477 10.331 10.224 489 2HD2 ASN 143 2HD2 ASN 143 134.971 10.601 9.419 490 H ASN 144 H ASN 144 139.722 7.243 6.440 491 HA ASN 144 HA ASN 144 141.756 6.228 6.500 492 1HB ASN 144 2HB ASN 144 142.562 8.632 6.315 493 2HB ASN 144 1HB ASN 144 142.780 8.599 8.062 494 1HD2 ASN 144 1HD2 ASN 144 143.997 7.598 5.014 495 2HD2 ASN 144 2HD2 ASN 144 145.445 6.853 5.588 496 H ASP 145 H ASP 145 139.818 5.689 8.499 497 HA ASP 145 HA ASP 145 141.282 5.401 10.995 498 1HB ASP 145 2HB ASP 145 139.173 4.515 11.886 499 2HB ASP 145 1HB ASP 145 138.925 6.063 11.084 500 H GLY 146 H GLY 146 140.551 3.552 8.187 501 1HA GLY 146 2HA GLY 146 142.035 1.574 7.932 502 2HA GLY 146 1HA GLY 146 141.533 1.121 9.553 503 H ARG 147 H ARG 147 138.740 2.022 8.945 504 HA ARG 147 HA ARG 147 137.944 -0.128 7.104 505 1HB ARG 147 2HB ARG 147 136.567 0.495 9.720 506 2HB ARG 147 1HB ARG 147 136.143 -0.782 8.590 507 1HG ARG 147 2HG ARG 147 137.961 -2.082 9.173 508 2HG ARG 147 1HG ARG 147 138.868 -0.709 9.808 509 1HD ARG 147 2HD ARG 147 137.164 -0.547 11.637 510 2HD ARG 147 1HD ARG 147 136.479 -2.062 11.049 511 HE ARG 147 HE ARG 147 139.120 -2.620 11.437 512 1HH1 ARG 147 1HH1 ARG 147 136.566 -1.346 13.444 513 2HH1 ARG 147 2HH1 ARG 147 137.219 -2.002 14.907 514 1HH2 ARG 147 1HH2 ARG 147 139.981 -3.484 13.360 515 2HH2 ARG 147 2HH2 ARG 147 139.157 -3.214 14.860 516 H ILE 148 H ILE 148 135.526 0.092 6.558 517 HA ILE 148 HA ILE 148 134.910 2.948 6.163 518 HB ILE 148 HB ILE 148 134.092 0.698 4.326 519 1HG1 ILE 148 2HG1 ILE 148 136.283 2.725 3.857 520 2HG1 ILE 148 1HG1 ILE 148 136.588 1.092 4.439 521 1HG2 ILE 148 1HG2 ILE 148 133.965 3.698 4.079 522 2HG2 ILE 148 2HG2 ILE 148 132.608 2.578 4.195 523 3HG2 ILE 148 3HG2 ILE 148 133.634 2.575 2.760 524 1HD1 ILE 148 1HD1 ILE 148 136.747 1.703 1.890 525 2HD1 ILE 148 2HD1 ILE 148 135.007 1.421 1.950 526 3HD1 ILE 148 3HD1 ILE 148 136.125 0.142 2.424 527 H ASP 149 H ASP 149 132.858 3.654 6.554 528 HA ASP 149 HA ASP 149 130.852 1.671 7.368 529 1HB ASP 149 2HB ASP 149 130.219 3.056 9.290 530 2HB ASP 149 1HB ASP 149 131.900 2.549 9.410 531 H TYR 150 H TYR 150 128.763 3.253 7.988 532 HA TYR 150 HA TYR 150 127.724 4.004 5.516 533 1HB TYR 150 2HB TYR 150 126.427 3.459 7.612 534 2HB TYR 150 1HB TYR 150 126.801 5.081 8.183 535 HD1 TYR 150 HD1 TYR 150 124.875 6.355 8.122 536 HD2 TYR 150 HD2 TYR 150 125.731 3.780 4.845 537 HE1 TYR 150 HE1 TYR 150 122.911 7.230 6.930 538 HE2 TYR 150 HE2 TYR 150 123.770 4.649 3.643 539 HH TYR 150 HH TYR 150 122.359 6.658 3.630 540 H ASP 151 H ASP 151 128.938 6.083 8.142 541 HA ASP 151 HA ASP 151 128.525 8.543 6.917 542 1HB ASP 151 2HB ASP 151 130.457 7.573 8.992 543 2HB ASP 151 1HB ASP 151 130.596 9.213 8.369 544 H GLU 152 H GLU 152 131.228 6.297 6.611 545 HA GLU 152 HA GLU 152 132.761 8.090 4.958 546 1HB GLU 152 2HB GLU 152 133.219 5.128 5.271 547 2HB GLU 152 1HB GLU 152 134.395 6.370 4.860 548 1HG GLU 152 2HG GLU 152 134.222 7.297 7.102 549 2HG GLU 152 1HG GLU 152 133.013 6.083 7.518 550 H PHE 153 H PHE 153 130.621 5.344 4.470 551 HA PHE 153 HA PHE 153 131.178 4.996 1.707 552 1HB PHE 153 2HB PHE 153 129.948 3.444 3.466 553 2HB PHE 153 1HB PHE 153 128.518 4.259 2.846 554 HD1 PHE 153 HD1 PHE 153 127.380 3.025 1.297 555 HD2 PHE 153 HD2 PHE 153 131.630 2.835 1.350 556 HE1 PHE 153 HE1 PHE 153 127.331 1.481 -0.619 557 HE2 PHE 153 HE2 PHE 153 131.591 1.292 -0.565 558 HZ PHE 153 HZ PHE 153 129.438 0.612 -1.552 559 H LEU 154 H LEU 154 128.851 6.923 3.508 560 HA LEU 154 HA LEU 154 127.169 7.674 1.409 561 1HB LEU 154 2HB LEU 154 127.969 9.157 3.910 562 2HB LEU 154 1HB LEU 154 126.714 9.710 2.820 563 HG LEU 154 HG LEU 154 126.493 6.950 3.918 564 1HD1 LEU 154 1HD1 LEU 154 126.771 7.781 6.001 565 2HD1 LEU 154 2HD1 LEU 154 125.098 8.286 5.769 566 3HD1 LEU 154 3HD1 LEU 154 126.410 9.437 5.509 567 1HD2 LEU 154 1HD2 LEU 154 124.216 8.808 3.838 568 2HD2 LEU 154 2HD2 LEU 154 124.338 7.133 3.299 569 3HD2 LEU 154 3HD2 LEU 154 124.941 8.435 2.274 570 H GLU 155 H GLU 155 130.289 8.932 2.416 571 HA GLU 155 HA GLU 155 130.179 11.146 0.558 572 1HB GLU 155 2HB GLU 155 132.227 10.123 2.502 573 2HB GLU 155 1HB GLU 155 132.663 11.326 1.296 574 1HG GLU 155 2HG GLU 155 130.319 12.285 2.447 575 2HG GLU 155 1HG GLU 155 131.263 11.645 3.791 576 H PHE 156 H PHE 156 131.666 7.968 0.760 577 HA PHE 156 HA PHE 156 133.434 8.166 -1.397 578 1HB PHE 156 2HB PHE 156 133.396 6.301 0.249 579 2HB PHE 156 1HB PHE 156 131.919 5.706 -0.503 580 HD1 PHE 156 HD1 PHE 156 135.074 7.014 -1.992 581 HD2 PHE 156 HD2 PHE 156 132.429 3.711 -1.535 582 HE1 PHE 156 HE1 PHE 156 136.416 5.722 -3.597 583 HE2 PHE 156 HE2 PHE 156 133.768 2.413 -3.138 584 HZ PHE 156 HZ PHE 156 135.764 3.417 -4.172 585 H MET 157 H MET 157 129.984 7.680 -1.290 586 HA MET 157 HA MET 157 129.920 7.221 -4.186 587 1HB MET 157 2HB MET 157 128.468 6.094 -2.074 588 2HB MET 157 1HB MET 157 127.329 7.155 -2.893 589 1HG MET 157 2HG MET 157 127.091 5.727 -4.565 590 2HG MET 157 1HG MET 157 128.834 5.627 -4.806 591 1HE MET 157 1HE MET 157 130.221 4.120 -4.321 592 2HE MET 157 2HE MET 157 129.522 2.558 -4.742 593 3HE MET 157 3HE MET 157 130.156 2.833 -3.119 594 H LYS 158 H LYS 158 130.423 9.832 -2.796 595 HA LYS 158 HA LYS 158 128.054 11.380 -3.476 596 1HB LYS 158 2HB LYS 158 129.791 11.665 -1.453 597 2HB LYS 158 1HB LYS 158 130.560 12.725 -2.628 598 1HG LYS 158 2HG LYS 158 128.671 14.132 -2.744 599 2HG LYS 158 1HG LYS 158 127.658 12.962 -1.895 600 1HD LYS 158 2HD LYS 158 129.631 13.348 -0.077 601 2HD LYS 158 1HD LYS 158 129.566 14.939 -0.839 602 1HE LYS 158 2HE LYS 158 128.077 14.913 1.051 603 2HE LYS 158 1HE LYS 158 127.125 14.987 -0.431 604 1HZ LYS 158 1HZ LYS 158 126.632 13.278 1.536 605 2HZ LYS 158 2HZ LYS 158 127.674 12.327 0.602 606 3HZ LYS 158 3HZ LYS 158 126.259 12.954 -0.082 607 H GLY 159 H GLY 159 129.814 10.042 -5.533 608 1HA GLY 159 2HA GLY 159 129.909 10.829 -7.797 609 2HA GLY 159 1HA GLY 159 130.212 12.447 -7.180 610 H VAL 160 H VAL 160 131.679 9.200 -7.001 611 HA VAL 160 HA VAL 160 134.323 10.464 -7.101 612 HB VAL 160 HB VAL 160 135.116 8.108 -6.523 613 1HG1 VAL 160 1HG1 VAL 160 135.197 9.793 -4.858 614 2HG1 VAL 160 2HG1 VAL 160 134.446 8.384 -4.110 615 3HG1 VAL 160 3HG1 VAL 160 133.450 9.745 -4.626 616 1HG2 VAL 160 1HG2 VAL 160 133.541 6.582 -5.557 617 2HG2 VAL 160 2HG2 VAL 160 132.978 7.008 -7.174 618 3HG2 VAL 160 3HG2 VAL 160 132.225 7.740 -5.756 619 H GLU 161 H GLU 161 133.913 10.878 -9.429 620 HA GLU 161 HA GLU 161 134.132 8.510 -11.131 621 1HB GLU 161 2HB GLU 161 133.793 10.154 -12.995 622 2HB GLU 161 1HB GLU 161 132.455 10.048 -11.859 623 1HG GLU 161 2HG GLU 161 132.662 12.178 -11.233 624 2HG GLU 161 1HG GLU 161 134.421 12.084 -11.158 Start of MODEL 8 1 1H MET 81 1HT MET 81 93.196 14.410 6.386 2 2H MET 81 2HT MET 81 94.004 12.907 6.584 3 3H MET 81 3HT MET 81 92.302 13.005 6.790 4 HA MET 81 HA MET 81 92.622 12.056 4.732 5 1HB MET 81 2HB MET 81 91.114 14.177 5.070 6 2HB MET 81 1HB MET 81 92.286 14.945 4.007 7 1HG MET 81 2HG MET 81 91.757 12.711 2.600 8 2HG MET 81 1HG MET 81 90.213 12.944 3.418 9 1HE MET 81 1HE MET 81 90.184 12.926 0.371 10 2HE MET 81 2HE MET 81 89.303 14.397 -0.045 11 3HE MET 81 3HE MET 81 88.764 13.398 1.306 12 H VAL 82 H VAL 82 94.497 15.077 4.910 13 HA VAL 82 HA VAL 82 96.277 14.010 2.822 14 HB VAL 82 HB VAL 82 95.208 16.157 2.260 15 1HG1 VAL 82 1HG1 VAL 82 95.530 16.791 4.894 16 2HG1 VAL 82 2HG1 VAL 82 95.131 17.938 3.617 17 3HG1 VAL 82 3HG1 VAL 82 96.805 17.741 4.133 18 1HG2 VAL 82 1HG2 VAL 82 97.323 15.729 1.249 19 2HG2 VAL 82 2HG2 VAL 82 98.186 16.212 2.708 20 3HG2 VAL 82 3HG2 VAL 82 97.317 17.416 1.757 21 H ARG 83 H ARG 83 96.122 15.293 6.067 22 HA ARG 83 HA ARG 83 99.029 15.154 6.347 23 1HB ARG 83 2HB ARG 83 98.677 16.221 8.525 24 2HB ARG 83 1HB ARG 83 97.914 17.141 7.235 25 1HG ARG 83 2HG ARG 83 95.879 15.515 8.032 26 2HG ARG 83 1HG ARG 83 96.731 15.805 9.549 27 1HD ARG 83 2HD ARG 83 96.490 18.157 9.334 28 2HD ARG 83 1HD ARG 83 95.943 18.015 7.665 29 HE ARG 83 HE ARG 83 94.102 16.612 9.115 30 1HH1 ARG 83 1HH1 ARG 83 95.333 19.876 9.195 31 2HH1 ARG 83 2HH1 ARG 83 93.857 20.552 9.799 32 1HH2 ARG 83 1HH2 ARG 83 92.159 17.498 9.911 33 2HH2 ARG 83 2HH2 ARG 83 92.055 19.203 10.207 34 H CYS 84 H CYS 84 99.654 13.080 6.586 35 HA CYS 84 HA CYS 84 98.882 11.708 9.005 36 1HB CYS 84 2HB CYS 84 97.175 11.050 7.241 37 2HB CYS 84 1HB CYS 84 98.495 10.258 6.388 38 HG CYS 84 HG CYS 84 97.518 8.398 7.781 39 H MET 85 H MET 85 100.391 10.914 5.869 40 HA MET 85 HA MET 85 102.866 10.274 7.329 41 1HB MET 85 2HB MET 85 101.675 8.705 5.035 42 2HB MET 85 1HB MET 85 103.242 8.397 5.769 43 1HG MET 85 2HG MET 85 100.983 8.446 7.639 44 2HG MET 85 1HG MET 85 100.947 7.145 6.452 45 1HE MET 85 1HE MET 85 102.617 6.430 10.276 46 2HE MET 85 2HE MET 85 101.028 6.615 9.533 47 3HE MET 85 3HE MET 85 101.999 8.039 9.902 48 H LYS 86 H LYS 86 104.374 11.669 6.714 49 HA LYS 86 HA LYS 86 104.280 12.804 4.019 50 1HB LYS 86 2HB LYS 86 104.601 14.090 6.322 51 2HB LYS 86 1HB LYS 86 106.288 13.683 6.039 52 1HG LYS 86 2HG LYS 86 106.258 14.839 3.924 53 2HG LYS 86 1HG LYS 86 104.530 15.157 4.089 54 1HD LYS 86 2HD LYS 86 106.097 16.062 6.380 55 2HD LYS 86 1HD LYS 86 106.557 16.845 4.867 56 1HE LYS 86 2HE LYS 86 104.187 17.420 4.482 57 2HE LYS 86 1HE LYS 86 103.780 16.700 6.039 58 1HZ LYS 86 1HZ LYS 86 105.878 18.703 6.094 59 2HZ LYS 86 2HZ LYS 86 104.588 18.456 7.159 60 3HZ LYS 86 3HZ LYS 86 104.335 19.280 5.705 61 H ASP 87 H ASP 87 106.459 11.060 6.195 62 HA ASP 87 HA ASP 87 108.400 10.746 4.032 63 1HB ASP 87 2HB ASP 87 109.812 9.702 5.840 64 2HB ASP 87 1HB ASP 87 109.392 11.390 6.113 65 H ASP 88 H ASP 88 105.999 9.420 3.610 66 HA ASP 88 HA ASP 88 106.371 6.642 4.372 67 1HB ASP 88 2HB ASP 88 104.127 8.095 4.003 68 2HB ASP 88 1HB ASP 88 104.277 7.369 2.405 69 H SER 89 H SER 89 105.787 8.281 1.254 70 HA SER 89 HA SER 89 107.145 6.109 -0.127 71 1HB SER 89 2HB SER 89 105.300 8.302 -0.904 72 2HB SER 89 1HB SER 89 106.462 7.780 -2.123 73 HG SER 89 HG SER 89 104.686 6.070 -0.714 74 H LYS 90 H LYS 90 109.307 6.254 -0.023 75 HA LYS 90 HA LYS 90 110.545 8.856 -0.637 76 1HB LYS 90 2HB LYS 90 111.539 6.532 1.010 77 2HB LYS 90 1HB LYS 90 112.592 7.834 0.474 78 1HG LYS 90 2HG LYS 90 111.038 9.430 1.635 79 2HG LYS 90 1HG LYS 90 110.236 8.021 2.331 80 1HD LYS 90 2HD LYS 90 112.669 7.363 3.043 81 2HD LYS 90 1HD LYS 90 112.979 9.088 2.833 82 1HE LYS 90 2HE LYS 90 111.431 9.680 4.497 83 2HE LYS 90 1HE LYS 90 110.684 8.083 4.486 84 1HZ LYS 90 1HZ LYS 90 113.152 7.433 5.178 85 2HZ LYS 90 2HZ LYS 90 111.963 7.837 6.311 86 3HZ LYS 90 3HZ LYS 90 113.101 8.995 5.828 87 H GLY 91 H GLY 91 111.448 9.016 -2.574 88 1HA GLY 91 2HA GLY 91 111.692 6.813 -4.342 89 2HA GLY 91 1HA GLY 91 112.321 8.432 -4.619 90 H LYS 92 H LYS 92 114.348 8.063 -5.315 91 HA LYS 92 HA LYS 92 116.032 6.183 -3.828 92 1HB LYS 92 2HB LYS 92 116.264 7.472 -6.536 93 2HB LYS 92 1HB LYS 92 117.648 6.701 -5.771 94 1HG LYS 92 2HG LYS 92 116.787 4.600 -6.006 95 2HG LYS 92 1HG LYS 92 115.113 5.162 -5.973 96 1HD LYS 92 2HD LYS 92 115.046 5.457 -8.200 97 2HD LYS 92 1HD LYS 92 116.669 6.149 -8.254 98 1HE LYS 92 2HE LYS 92 117.649 4.156 -8.672 99 2HE LYS 92 1HE LYS 92 116.515 3.265 -7.658 100 1HZ LYS 92 1HZ LYS 92 116.065 2.580 -9.830 101 2HZ LYS 92 2HZ LYS 92 116.160 4.148 -10.458 102 3HZ LYS 92 3HZ LYS 92 114.844 3.703 -9.493 103 H THR 93 H THR 93 116.095 7.709 -2.008 104 HA THR 93 HA THR 93 117.654 10.130 -2.409 105 HB THR 93 HB THR 93 115.810 10.359 -0.908 106 HG1 THR 93 HG1 THR 93 117.987 10.096 0.861 107 1HG2 THR 93 1HG2 THR 93 115.037 8.656 0.263 108 2HG2 THR 93 2HG2 THR 93 116.429 8.808 1.335 109 3HG2 THR 93 3HG2 THR 93 116.498 7.719 -0.050 110 H GLU 94 H GLU 94 119.353 10.525 -0.577 111 HA GLU 94 HA GLU 94 121.565 8.963 -1.046 112 1HB GLU 94 2HB GLU 94 120.799 10.892 1.079 113 2HB GLU 94 1HB GLU 94 122.194 9.872 1.398 114 1HG GLU 94 2HG GLU 94 123.488 11.037 0.022 115 2HG GLU 94 1HG GLU 94 122.272 11.033 -1.256 116 H GLU 95 H GLU 95 118.958 8.384 1.177 117 HA GLU 95 HA GLU 95 120.186 6.572 2.923 118 1HB GLU 95 2HB GLU 95 117.387 7.135 2.082 119 2HB GLU 95 1HB GLU 95 117.694 5.627 2.935 120 1HG GLU 95 2HG GLU 95 118.934 7.168 4.630 121 2HG GLU 95 1HG GLU 95 117.953 8.435 3.895 122 H GLU 96 H GLU 96 119.032 6.193 -0.339 123 HA GLU 96 HA GLU 96 118.709 3.428 -0.459 124 1HB GLU 96 2HB GLU 96 118.965 3.630 -2.845 125 2HB GLU 96 1HB GLU 96 118.073 5.026 -2.255 126 1HG GLU 96 2HG GLU 96 119.502 6.141 -3.581 127 2HG GLU 96 1HG GLU 96 120.558 6.022 -2.173 128 H LEU 97 H LEU 97 121.604 5.360 -0.378 129 HA LEU 97 HA LEU 97 123.456 3.564 -1.432 130 1HB LEU 97 2HB LEU 97 123.582 5.835 0.482 131 2HB LEU 97 1HB LEU 97 124.968 4.765 0.408 132 HG LEU 97 HG LEU 97 123.831 6.061 -2.058 133 1HD1 LEU 97 1HD1 LEU 97 126.028 7.517 -1.578 134 2HD1 LEU 97 2HD1 LEU 97 125.497 7.228 0.079 135 3HD1 LEU 97 3HD1 LEU 97 124.411 8.006 -1.072 136 1HD2 LEU 97 1HD2 LEU 97 126.115 5.663 -2.901 137 2HD2 LEU 97 2HD2 LEU 97 125.290 4.172 -2.447 138 3HD2 LEU 97 3HD2 LEU 97 126.515 4.862 -1.381 139 H SER 98 H SER 98 121.853 3.608 1.659 140 HA SER 98 HA SER 98 123.564 1.981 3.147 141 1HB SER 98 2HB SER 98 121.443 3.253 3.894 142 2HB SER 98 1HB SER 98 120.566 1.812 3.379 143 HG SER 98 HG SER 98 122.739 1.749 5.197 144 H ASP 99 H ASP 99 121.264 1.188 0.645 145 HA ASP 99 HA ASP 99 121.064 -1.586 1.163 146 1HB ASP 99 2HB ASP 99 120.493 0.167 -1.198 147 2HB ASP 99 1HB ASP 99 120.478 -1.583 -1.396 148 H LEU 100 H LEU 100 123.218 0.331 -0.888 149 HA LEU 100 HA LEU 100 124.559 -1.913 -2.019 150 1HB LEU 100 2HB LEU 100 125.123 1.029 -1.891 151 2HB LEU 100 1HB LEU 100 126.332 -0.077 -2.511 152 HG LEU 100 HG LEU 100 124.114 -0.822 -3.937 153 1HD1 LEU 100 1HD1 LEU 100 123.402 1.518 -4.830 154 2HD1 LEU 100 2HD1 LEU 100 123.902 2.070 -3.232 155 3HD1 LEU 100 3HD1 LEU 100 122.634 0.854 -3.389 156 1HD2 LEU 100 1HD2 LEU 100 125.747 1.380 -5.054 157 2HD2 LEU 100 2HD2 LEU 100 125.351 -0.199 -5.733 158 3HD2 LEU 100 3HD2 LEU 100 126.605 -0.058 -4.501 159 H PHE 101 H PHE 101 125.319 0.320 0.631 160 HA PHE 101 HA PHE 101 127.849 -0.698 1.264 161 1HB PHE 101 2HB PHE 101 126.987 1.435 2.142 162 2HB PHE 101 1HB PHE 101 125.814 0.559 3.120 163 HD1 PHE 101 HD1 PHE 101 126.492 -0.632 5.106 164 HD2 PHE 101 HD2 PHE 101 129.334 1.460 2.727 165 HE1 PHE 101 HE1 PHE 101 128.130 -0.788 6.934 166 HE2 PHE 101 HE2 PHE 101 130.979 1.306 4.551 167 HZ PHE 101 HZ PHE 101 130.378 0.182 6.658 168 H ARG 102 H ARG 102 124.629 -1.614 2.424 169 HA ARG 102 HA ARG 102 125.431 -3.460 4.372 170 1HB ARG 102 2HB ARG 102 123.097 -2.514 3.936 171 2HB ARG 102 1HB ARG 102 122.947 -3.742 2.688 172 1HG ARG 102 2HG ARG 102 123.817 -5.137 4.925 173 2HG ARG 102 1HG ARG 102 122.652 -3.969 5.552 174 1HD ARG 102 2HD ARG 102 121.361 -4.868 3.339 175 2HD ARG 102 1HD ARG 102 122.246 -6.313 3.824 176 HE ARG 102 HE ARG 102 121.110 -5.470 6.133 177 1HH1 ARG 102 1HH1 ARG 102 119.849 -6.140 2.949 178 2HH1 ARG 102 2HH1 ARG 102 118.293 -6.628 3.532 179 1HH2 ARG 102 1HH2 ARG 102 119.064 -6.108 6.901 180 2HH2 ARG 102 2HH2 ARG 102 117.846 -6.609 5.775 181 H MET 103 H MET 103 125.116 -3.742 0.898 182 HA MET 103 HA MET 103 125.225 -6.570 0.753 183 1HB MET 103 2HB MET 103 125.501 -4.309 -1.147 184 2HB MET 103 1HB MET 103 126.226 -5.836 -1.636 185 1HG MET 103 2HG MET 103 123.457 -5.926 -0.604 186 2HG MET 103 1HG MET 103 123.708 -5.188 -2.183 187 1HE MET 103 1HE MET 103 123.231 -9.512 -1.336 188 2HE MET 103 2HE MET 103 122.207 -8.108 -1.035 189 3HE MET 103 3HE MET 103 123.652 -8.372 -0.058 190 H PHE 104 H PHE 104 127.699 -4.043 0.599 191 HA PHE 104 HA PHE 104 129.880 -5.719 0.009 192 1HB PHE 104 2HB PHE 104 129.540 -2.966 1.086 193 2HB PHE 104 1HB PHE 104 131.106 -3.738 1.325 194 HD1 PHE 104 HD1 PHE 104 129.212 -1.746 -0.827 195 HD2 PHE 104 HD2 PHE 104 132.095 -4.874 -0.847 196 HE1 PHE 104 HE1 PHE 104 129.858 -1.131 -3.120 197 HE2 PHE 104 HE2 PHE 104 132.749 -4.264 -3.138 198 HZ PHE 104 HZ PHE 104 131.630 -2.389 -4.278 199 H ASP 105 H ASP 105 128.328 -4.842 3.031 200 HA ASP 105 HA ASP 105 130.316 -5.811 4.781 201 1HB ASP 105 2HB ASP 105 127.511 -4.954 4.984 202 2HB ASP 105 1HB ASP 105 127.986 -6.156 6.181 203 H LYS 106 H LYS 106 130.452 -7.766 5.930 204 HA LYS 106 HA LYS 106 129.443 -10.058 4.440 205 1HB LYS 106 2HB LYS 106 131.843 -9.920 5.072 206 2HB LYS 106 1HB LYS 106 131.374 -9.979 6.765 207 1HG LYS 106 2HG LYS 106 131.901 -12.168 6.390 208 2HG LYS 106 1HG LYS 106 130.171 -12.188 6.043 209 1HD LYS 106 2HD LYS 106 131.144 -11.558 3.607 210 2HD LYS 106 1HD LYS 106 132.474 -12.533 4.234 211 1HE LYS 106 2HE LYS 106 131.266 -14.440 4.199 212 2HE LYS 106 1HE LYS 106 129.775 -13.627 4.670 213 1HZ LYS 106 1HZ LYS 106 129.913 -12.666 2.283 214 2HZ LYS 106 2HZ LYS 106 129.332 -14.238 2.516 215 3HZ LYS 106 3HZ LYS 106 130.920 -13.994 1.987 216 H ASN 107 H ASN 107 129.663 -9.112 7.877 217 HA ASN 107 HA ASN 107 127.359 -10.844 8.427 218 1HB ASN 107 2HB ASN 107 128.037 -10.646 10.803 219 2HB ASN 107 1HB ASN 107 129.309 -11.319 9.790 220 1HD2 ASN 107 1HD2 ASN 107 131.034 -10.725 10.986 221 2HD2 ASN 107 2HD2 ASN 107 131.489 -9.085 11.284 222 H ALA 108 H ALA 108 127.685 -7.818 7.490 223 HA ALA 108 HA ALA 108 126.529 -5.874 7.742 224 1HB ALA 108 1HB ALA 108 124.709 -7.796 7.558 225 2HB ALA 108 2HB ALA 108 124.267 -6.111 7.831 226 3HB ALA 108 3HB ALA 108 124.325 -7.238 9.187 227 H ASP 109 H ASP 109 128.338 -5.566 9.433 228 HA ASP 109 HA ASP 109 127.207 -5.266 12.126 229 1HB ASP 109 2HB ASP 109 129.530 -5.065 12.895 230 2HB ASP 109 1HB ASP 109 129.284 -6.559 11.995 231 H GLY 110 H GLY 110 128.427 -3.501 9.402 232 1HA GLY 110 2HA GLY 110 127.500 -1.171 9.339 233 2HA GLY 110 1HA GLY 110 128.180 -0.995 10.949 234 H TYR 111 H TYR 111 130.545 -2.664 10.003 235 HA TYR 111 HA TYR 111 131.857 -0.620 8.344 236 1HB TYR 111 2HB TYR 111 133.200 -2.025 10.656 237 2HB TYR 111 1HB TYR 111 133.832 -0.689 9.700 238 HD1 TYR 111 HD1 TYR 111 131.523 -1.645 12.378 239 HD2 TYR 111 HD2 TYR 111 133.075 1.586 10.088 240 HE1 TYR 111 HE1 TYR 111 130.591 -0.054 14.004 241 HE2 TYR 111 HE2 TYR 111 132.149 3.186 11.708 242 HH TYR 111 HH TYR 111 129.901 2.797 13.600 243 H ILE 112 H ILE 112 133.630 -1.365 7.073 244 HA ILE 112 HA ILE 112 133.778 -4.291 6.770 245 HB ILE 112 HB ILE 112 133.813 -2.362 4.452 246 1HG1 ILE 112 2HG1 ILE 112 131.527 -4.048 4.369 247 2HG1 ILE 112 1HG1 ILE 112 131.576 -3.319 5.971 248 1HG2 ILE 112 1HG2 ILE 112 134.093 -5.297 4.766 249 2HG2 ILE 112 2HG2 ILE 112 134.872 -4.196 3.628 250 3HG2 ILE 112 3HG2 ILE 112 133.204 -4.707 3.360 251 1HD1 ILE 112 1HD1 ILE 112 130.260 -2.040 4.312 252 2HD1 ILE 112 2HD1 ILE 112 131.744 -1.767 3.400 253 3HD1 ILE 112 3HD1 ILE 112 131.580 -1.120 5.033 254 H ASP 113 H ASP 113 135.763 -5.129 6.085 255 HA ASP 113 HA ASP 113 137.995 -3.226 5.924 256 1HB ASP 113 2HB ASP 113 139.344 -4.925 7.261 257 2HB ASP 113 1HB ASP 113 138.150 -3.995 8.160 258 H LEU 114 H LEU 114 140.083 -4.612 5.347 259 HA LEU 114 HA LEU 114 139.732 -5.530 2.731 260 1HB LEU 114 2HB LEU 114 141.944 -5.505 4.697 261 2HB LEU 114 1HB LEU 114 142.095 -6.653 3.381 262 HG LEU 114 HG LEU 114 141.571 -4.577 1.874 263 1HD1 LEU 114 1HD1 LEU 114 142.916 -3.116 4.106 264 2HD1 LEU 114 2HD1 LEU 114 141.156 -3.225 4.047 265 3HD1 LEU 114 3HD1 LEU 114 142.037 -2.479 2.717 266 1HD2 LEU 114 1HD2 LEU 114 143.623 -5.593 1.547 267 2HD2 LEU 114 2HD2 LEU 114 144.139 -5.322 3.212 268 3HD2 LEU 114 3HD2 LEU 114 144.089 -3.975 2.075 269 H GLU 115 H GLU 115 140.139 -7.336 5.758 270 HA GLU 115 HA GLU 115 140.195 -9.907 4.639 271 1HB GLU 115 2HB GLU 115 139.654 -8.773 7.331 272 2HB GLU 115 1HB GLU 115 139.119 -10.421 7.037 273 1HG GLU 115 2HG GLU 115 141.303 -11.173 6.627 274 2HG GLU 115 1HG GLU 115 141.921 -9.530 6.455 275 H GLU 116 H GLU 116 137.464 -8.109 6.058 276 HA GLU 116 HA GLU 116 135.495 -10.023 5.522 277 1HB GLU 116 2HB GLU 116 135.607 -7.404 6.595 278 2HB GLU 116 1HB GLU 116 134.385 -7.384 5.331 279 1HG GLU 116 2HG GLU 116 133.350 -9.384 6.414 280 2HG GLU 116 1HG GLU 116 134.487 -9.171 7.746 281 H LEU 117 H LEU 117 136.568 -7.228 3.617 282 HA LEU 117 HA LEU 117 134.719 -7.526 1.518 283 1HB LEU 117 2HB LEU 117 136.498 -5.636 2.157 284 2HB LEU 117 1HB LEU 117 137.427 -6.464 0.920 285 HG LEU 117 HG LEU 117 135.631 -6.087 -0.702 286 1HD1 LEU 117 1HD1 LEU 117 133.838 -4.415 0.004 287 2HD1 LEU 117 2HD1 LEU 117 134.264 -4.843 1.662 288 3HD1 LEU 117 3HD1 LEU 117 133.660 -6.079 0.559 289 1HD2 LEU 117 1HD2 LEU 117 136.085 -3.408 0.513 290 2HD2 LEU 117 2HD2 LEU 117 136.217 -3.924 -1.167 291 3HD2 LEU 117 3HD2 LEU 117 137.482 -4.347 -0.014 292 H LYS 118 H LYS 118 137.824 -9.014 2.153 293 HA LYS 118 HA LYS 118 138.314 -10.069 -0.407 294 1HB LYS 118 2HB LYS 118 139.525 -10.180 2.148 295 2HB LYS 118 1HB LYS 118 139.287 -11.844 1.633 296 1HG LYS 118 2HG LYS 118 140.914 -11.720 0.120 297 2HG LYS 118 1HG LYS 118 140.355 -10.160 -0.482 298 1HD LYS 118 2HD LYS 118 141.829 -9.016 0.769 299 2HD LYS 118 1HD LYS 118 141.568 -10.043 2.180 300 1HE LYS 118 2HE LYS 118 143.061 -11.709 1.321 301 2HE LYS 118 1HE LYS 118 143.199 -10.859 -0.218 302 1HZ LYS 118 1HZ LYS 118 144.041 -9.651 2.352 303 2HZ LYS 118 2HZ LYS 118 144.414 -9.132 0.786 304 3HZ LYS 118 3HZ LYS 118 145.092 -10.560 1.386 305 H ILE 119 H ILE 119 136.218 -11.093 2.175 306 HA ILE 119 HA ILE 119 135.849 -13.776 1.317 307 HB ILE 119 HB ILE 119 133.900 -12.104 2.900 308 1HG1 ILE 119 2HG1 ILE 119 136.239 -13.761 3.873 309 2HG1 ILE 119 1HG1 ILE 119 136.125 -12.004 3.930 310 1HG2 ILE 119 1HG2 ILE 119 133.306 -14.332 3.867 311 2HG2 ILE 119 2HG2 ILE 119 134.326 -15.072 2.633 312 3HG2 ILE 119 3HG2 ILE 119 132.906 -14.141 2.160 313 1HD1 ILE 119 1HD1 ILE 119 134.059 -13.674 5.288 314 2HD1 ILE 119 2HD1 ILE 119 134.591 -12.030 5.646 315 3HD1 ILE 119 3HD1 ILE 119 135.627 -13.399 6.050 316 H MET 120 H MET 120 133.774 -10.890 0.992 317 HA MET 120 HA MET 120 131.792 -12.050 -0.581 318 1HB MET 120 2HB MET 120 131.162 -9.790 -1.206 319 2HB MET 120 1HB MET 120 131.586 -9.845 0.500 320 1HG MET 120 2HG MET 120 133.288 -8.424 0.248 321 2HG MET 120 1HG MET 120 133.829 -9.182 -1.247 322 1HE MET 120 1HE MET 120 134.485 -6.980 -2.451 323 2HE MET 120 2HE MET 120 133.258 -6.402 -3.579 324 3HE MET 120 3HE MET 120 133.634 -8.123 -3.490 325 H LEU 121 H LEU 121 134.976 -10.950 -1.437 326 HA LEU 121 HA LEU 121 134.522 -10.757 -4.246 327 1HB LEU 121 2HB LEU 121 137.007 -10.971 -2.562 328 2HB LEU 121 1HB LEU 121 137.074 -10.922 -4.314 329 HG LEU 121 HG LEU 121 135.598 -8.759 -2.881 330 1HD1 LEU 121 1HD1 LEU 121 138.573 -9.116 -2.963 331 2HD1 LEU 121 2HD1 LEU 121 137.544 -8.656 -1.606 332 3HD1 LEU 121 3HD1 LEU 121 137.841 -7.512 -2.915 333 1HD2 LEU 121 1HD2 LEU 121 137.364 -8.696 -5.320 334 2HD2 LEU 121 2HD2 LEU 121 136.235 -7.455 -4.774 335 3HD2 LEU 121 3HD2 LEU 121 135.627 -9.001 -5.371 336 H GLN 122 H GLN 122 135.395 -13.335 -2.061 337 HA GLN 122 HA GLN 122 136.400 -15.173 -3.939 338 1HB GLN 122 2HB GLN 122 134.876 -15.891 -1.437 339 2HB GLN 122 1HB GLN 122 136.109 -16.841 -2.253 340 1HG GLN 122 2HG GLN 122 137.603 -14.744 -1.728 341 2HG GLN 122 1HG GLN 122 136.395 -14.482 -0.471 342 1HE2 GLN 122 1HE2 GLN 122 137.568 -14.970 1.296 343 2HE2 GLN 122 2HE2 GLN 122 138.273 -16.516 1.604 344 H ALA 123 H ALA 123 133.148 -14.281 -3.037 345 HA ALA 123 HA ALA 123 131.741 -16.477 -4.039 346 1HB ALA 123 1HB ALA 123 129.983 -14.507 -4.484 347 2HB ALA 123 2HB ALA 123 131.097 -13.663 -3.408 348 3HB ALA 123 3HB ALA 123 130.319 -15.154 -2.878 349 H THR 124 H THR 124 133.093 -13.671 -5.658 350 HA THR 124 HA THR 124 131.777 -13.958 -8.129 351 HB THR 124 HB THR 124 133.462 -12.491 -9.026 352 HG1 THR 124 HG1 THR 124 135.386 -13.165 -8.377 353 1HG2 THR 124 1HG2 THR 124 131.905 -11.439 -7.444 354 2HG2 THR 124 2HG2 THR 124 133.485 -10.654 -7.473 355 3HG2 THR 124 3HG2 THR 124 133.060 -11.733 -6.144 356 H GLY 125 H GLY 125 132.852 -14.574 -10.195 357 1HA GLY 125 2HA GLY 125 134.059 -17.202 -9.872 358 2HA GLY 125 1HA GLY 125 133.451 -16.510 -11.368 359 H GLU 126 H GLU 126 134.911 -14.045 -11.183 360 HA GLU 126 HA GLU 126 137.411 -14.958 -12.265 361 1HB GLU 126 2HB GLU 126 137.837 -12.556 -12.679 362 2HB GLU 126 1HB GLU 126 136.288 -13.091 -13.318 363 1HG GLU 126 2HG GLU 126 135.119 -12.085 -11.484 364 2HG GLU 126 1HG GLU 126 136.639 -11.675 -10.691 365 H THR 127 H THR 127 139.503 -14.311 -11.542 366 HA THR 127 HA THR 127 139.688 -14.231 -8.640 367 HB THR 127 HB THR 127 142.078 -14.682 -8.992 368 HG1 THR 127 HG1 THR 127 141.478 -14.673 -11.760 369 1HG2 THR 127 1HG2 THR 127 141.707 -16.762 -10.614 370 2HG2 THR 127 2HG2 THR 127 140.026 -16.407 -10.218 371 3HG2 THR 127 3HG2 THR 127 141.183 -16.747 -8.931 372 H ILE 128 H ILE 128 139.633 -12.301 -7.700 373 HA ILE 128 HA ILE 128 140.543 -9.929 -9.093 374 HB ILE 128 HB ILE 128 139.559 -10.096 -6.248 375 1HG1 ILE 128 2HG1 ILE 128 137.912 -11.108 -7.796 376 2HG1 ILE 128 1HG1 ILE 128 137.326 -9.604 -7.094 377 1HG2 ILE 128 1HG2 ILE 128 138.751 -7.708 -7.193 378 2HG2 ILE 128 2HG2 ILE 128 140.228 -7.932 -8.131 379 3HG2 ILE 128 3HG2 ILE 128 140.289 -7.967 -6.367 380 1HD1 ILE 128 1HD1 ILE 128 137.928 -10.285 -9.882 381 2HD1 ILE 128 2HD1 ILE 128 138.452 -8.682 -9.364 382 3HD1 ILE 128 3HD1 ILE 128 136.757 -9.148 -9.211 383 H THR 129 H THR 129 142.306 -8.696 -8.591 384 HA THR 129 HA THR 129 144.447 -10.015 -7.197 385 HB THR 129 HB THR 129 145.816 -8.147 -7.917 386 HG1 THR 129 HG1 THR 129 143.371 -6.952 -8.715 387 1HG2 THR 129 1HG2 THR 129 145.909 -8.825 -10.021 388 2HG2 THR 129 2HG2 THR 129 144.299 -8.196 -10.370 389 3HG2 THR 129 3HG2 THR 129 144.486 -9.809 -9.681 390 H GLU 130 H GLU 130 145.625 -9.148 -5.417 391 HA GLU 130 HA GLU 130 143.964 -8.138 -3.345 392 1HB GLU 130 2HB GLU 130 146.867 -8.807 -3.602 393 2HB GLU 130 1HB GLU 130 146.325 -7.884 -2.208 394 1HG GLU 130 2HG GLU 130 145.262 -9.641 -1.279 395 2HG GLU 130 1HG GLU 130 144.781 -10.314 -2.835 396 H ASP 131 H ASP 131 146.216 -6.685 -5.582 397 HA ASP 131 HA ASP 131 146.581 -4.225 -4.246 398 1HB ASP 131 2HB ASP 131 147.792 -5.296 -6.344 399 2HB ASP 131 1HB ASP 131 146.602 -4.348 -7.231 400 H ASP 132 H ASP 132 144.118 -5.402 -6.453 401 HA ASP 132 HA ASP 132 142.889 -2.871 -6.904 402 1HB ASP 132 2HB ASP 132 142.229 -5.712 -7.486 403 2HB ASP 132 1HB ASP 132 140.890 -4.569 -7.463 404 H ILE 133 H ILE 133 142.507 -5.408 -4.520 405 HA ILE 133 HA ILE 133 140.069 -4.368 -3.423 406 HB ILE 133 HB ILE 133 142.008 -6.251 -2.082 407 1HG1 ILE 133 2HG1 ILE 133 139.613 -7.067 -3.722 408 2HG1 ILE 133 1HG1 ILE 133 141.220 -6.925 -4.430 409 1HG2 ILE 133 1HG2 ILE 133 139.097 -5.617 -1.676 410 2HG2 ILE 133 2HG2 ILE 133 140.421 -5.458 -0.522 411 3HG2 ILE 133 3HG2 ILE 133 139.867 -7.058 -1.011 412 1HD1 ILE 133 1HD1 ILE 133 142.054 -8.700 -3.180 413 2HD1 ILE 133 2HD1 ILE 133 140.439 -9.228 -3.656 414 3HD1 ILE 133 3HD1 ILE 133 140.726 -8.631 -2.021 415 H GLU 134 H GLU 134 143.483 -3.921 -2.835 416 HA GLU 134 HA GLU 134 143.181 -2.649 -0.293 417 1HB GLU 134 2HB GLU 134 145.402 -3.144 -2.200 418 2HB GLU 134 1HB GLU 134 145.600 -1.801 -1.082 419 1HG GLU 134 2HG GLU 134 145.429 -3.220 0.801 420 2HG GLU 134 1HG GLU 134 144.877 -4.573 -0.185 421 H GLU 135 H GLU 135 143.272 -1.579 -3.626 422 HA GLU 135 HA GLU 135 143.651 1.178 -3.113 423 1HB GLU 135 2HB GLU 135 142.916 -0.499 -5.419 424 2HB GLU 135 1HB GLU 135 142.278 1.139 -5.472 425 1HG GLU 135 2HG GLU 135 144.986 1.319 -4.692 426 2HG GLU 135 1HG GLU 135 144.902 0.219 -6.066 427 H LEU 136 H LEU 136 140.750 -0.809 -3.552 428 HA LEU 136 HA LEU 136 138.858 1.252 -3.497 429 1HB LEU 136 2HB LEU 136 138.816 -1.673 -2.961 430 2HB LEU 136 1HB LEU 136 137.438 -0.731 -2.422 431 HG LEU 136 HG LEU 136 138.330 -0.357 -5.232 432 1HD1 LEU 136 1HD1 LEU 136 138.435 -2.764 -5.024 433 2HD1 LEU 136 2HD1 LEU 136 137.007 -2.304 -5.950 434 3HD1 LEU 136 3HD1 LEU 136 136.843 -2.795 -4.263 435 1HD2 LEU 136 1HD2 LEU 136 136.011 0.020 -5.614 436 2HD2 LEU 136 2HD2 LEU 136 136.446 0.888 -4.141 437 3HD2 LEU 136 3HD2 LEU 136 135.581 -0.646 -4.038 438 H MET 137 H MET 137 140.600 -0.344 -0.928 439 HA MET 137 HA MET 137 138.933 0.701 1.172 440 1HB MET 137 2HB MET 137 141.387 -0.963 1.003 441 2HB MET 137 1HB MET 137 141.139 -0.060 2.491 442 1HG MET 137 2HG MET 137 138.794 -1.536 1.530 443 2HG MET 137 1HG MET 137 140.166 -2.534 2.009 444 1HE MET 137 1HE MET 137 137.146 -1.571 2.749 445 2HE MET 137 2HE MET 137 136.969 -0.826 4.339 446 3HE MET 137 3HE MET 137 137.219 -2.567 4.203 447 H LYS 138 H LYS 138 141.875 1.639 -0.460 448 HA LYS 138 HA LYS 138 142.746 3.571 1.419 449 1HB LYS 138 2HB LYS 138 143.381 2.882 -1.397 450 2HB LYS 138 1HB LYS 138 143.802 4.505 -0.868 451 1HG LYS 138 2HG LYS 138 145.258 3.693 0.798 452 2HG LYS 138 1HG LYS 138 144.634 2.049 0.645 453 1HD LYS 138 2HD LYS 138 145.520 2.013 -1.690 454 2HD LYS 138 1HD LYS 138 146.275 3.576 -1.372 455 1HE LYS 138 2HE LYS 138 147.282 2.325 0.696 456 2HE LYS 138 1HE LYS 138 146.931 0.885 -0.260 457 1HZ LYS 138 1HZ LYS 138 148.328 1.661 -1.997 458 2HZ LYS 138 2HZ LYS 138 149.207 1.809 -0.561 459 3HZ LYS 138 3HZ LYS 138 148.516 3.179 -1.274 460 H ASP 139 H ASP 139 141.190 4.048 -1.760 461 HA ASP 139 HA ASP 139 140.634 6.788 -1.281 462 1HB ASP 139 2HB ASP 139 139.480 6.767 -3.367 463 2HB ASP 139 1HB ASP 139 140.863 5.693 -3.542 464 H GLY 140 H GLY 140 139.064 3.909 -0.304 465 1HA GLY 140 2HA GLY 140 136.453 5.138 -0.002 466 2HA GLY 140 1HA GLY 140 136.897 3.503 0.462 467 H ASP 141 H ASP 141 139.269 4.542 1.958 468 HA ASP 141 HA ASP 141 137.825 5.173 4.412 469 1HB ASP 141 2HB ASP 141 139.592 3.336 4.242 470 2HB ASP 141 1HB ASP 141 140.781 4.633 4.151 471 H LYS 142 H LYS 142 137.510 7.242 4.870 472 HA LYS 142 HA LYS 142 139.616 9.179 4.164 473 1HB LYS 142 2HB LYS 142 136.670 9.702 4.597 474 2HB LYS 142 1HB LYS 142 137.873 10.888 4.110 475 1HG LYS 142 2HG LYS 142 137.732 8.537 2.372 476 2HG LYS 142 1HG LYS 142 136.258 9.510 2.414 477 1HD LYS 142 2HD LYS 142 138.953 10.775 2.034 478 2HD LYS 142 1HD LYS 142 138.059 10.096 0.671 479 1HE LYS 142 2HE LYS 142 136.100 11.539 1.547 480 2HE LYS 142 1HE LYS 142 137.348 12.412 2.435 481 1HZ LYS 142 1HZ LYS 142 136.690 13.239 0.118 482 2HZ LYS 142 2HZ LYS 142 137.608 11.946 -0.468 483 3HZ LYS 142 3HZ LYS 142 138.338 13.137 0.486 484 H ASN 143 H ASN 143 137.912 7.714 6.742 485 HA ASN 143 HA ASN 143 138.404 9.856 8.629 486 1HB ASN 143 2HB ASN 143 137.263 7.078 8.961 487 2HB ASN 143 1HB ASN 143 137.454 8.221 10.285 488 1HD2 ASN 143 1HD2 ASN 143 136.246 10.178 10.225 489 2HD2 ASN 143 2HD2 ASN 143 134.762 10.264 9.346 490 H ASN 144 H ASN 144 140.148 7.242 7.368 491 HA ASN 144 HA ASN 144 142.183 6.361 7.852 492 1HB ASN 144 2HB ASN 144 142.191 8.941 9.289 493 2HB ASN 144 1HB ASN 144 143.356 7.755 9.872 494 1HD2 ASN 144 1HD2 ASN 144 144.987 9.207 9.138 495 2HD2 ASN 144 2HD2 ASN 144 145.429 9.248 7.468 496 H ASP 145 H ASP 145 139.786 5.470 9.234 497 HA ASP 145 HA ASP 145 140.709 4.747 11.899 498 1HB ASP 145 2HB ASP 145 138.476 3.755 12.173 499 2HB ASP 145 1HB ASP 145 138.370 5.424 11.621 500 H GLY 146 H GLY 146 140.378 3.366 8.726 501 1HA GLY 146 2HA GLY 146 141.916 1.469 8.311 502 2HA GLY 146 1HA GLY 146 141.312 0.779 9.809 503 H ARG 147 H ARG 147 138.547 1.754 9.063 504 HA ARG 147 HA ARG 147 137.958 -0.214 6.955 505 1HB ARG 147 2HB ARG 147 136.479 0.194 9.559 506 2HB ARG 147 1HB ARG 147 135.873 -0.777 8.225 507 1HG ARG 147 2HG ARG 147 138.150 -2.023 8.466 508 2HG ARG 147 1HG ARG 147 138.142 -1.315 10.083 509 1HD ARG 147 2HD ARG 147 135.835 -2.279 10.371 510 2HD ARG 147 1HD ARG 147 136.092 -3.153 8.862 511 HE ARG 147 HE ARG 147 137.396 -4.636 10.002 512 1HH1 ARG 147 1HH1 ARG 147 137.151 -1.709 11.888 513 2HH1 ARG 147 2HH1 ARG 147 137.984 -2.371 13.254 514 1HH2 ARG 147 1HH2 ARG 147 138.495 -5.507 11.797 515 2HH2 ARG 147 2HH2 ARG 147 138.747 -4.527 13.202 516 H ILE 148 H ILE 148 135.408 0.078 6.469 517 HA ILE 148 HA ILE 148 135.025 2.958 5.964 518 HB ILE 148 HB ILE 148 134.005 0.704 4.234 519 1HG1 ILE 148 2HG1 ILE 148 136.216 2.566 3.432 520 2HG1 ILE 148 1HG1 ILE 148 136.586 1.134 4.385 521 1HG2 ILE 148 1HG2 ILE 148 134.218 3.637 3.597 522 2HG2 ILE 148 2HG2 ILE 148 132.763 2.889 4.251 523 3HG2 ILE 148 3HG2 ILE 148 133.381 2.385 2.679 524 1HD1 ILE 148 1HD1 ILE 148 135.312 -0.153 2.573 525 2HD1 ILE 148 2HD1 ILE 148 136.921 0.457 2.193 526 3HD1 ILE 148 3HD1 ILE 148 135.493 1.311 1.608 527 H ASP 149 H ASP 149 132.996 3.830 6.252 528 HA ASP 149 HA ASP 149 130.890 2.054 7.262 529 1HB ASP 149 2HB ASP 149 130.353 3.749 9.012 530 2HB ASP 149 1HB ASP 149 131.923 2.984 9.239 531 H TYR 150 H TYR 150 128.779 3.390 7.523 532 HA TYR 150 HA TYR 150 128.021 4.296 4.980 533 1HB TYR 150 2HB TYR 150 126.548 3.364 6.860 534 2HB TYR 150 1HB TYR 150 126.559 4.995 7.520 535 HD1 TYR 150 HD1 TYR 150 124.611 6.140 7.095 536 HD2 TYR 150 HD2 TYR 150 126.125 3.520 4.107 537 HE1 TYR 150 HE1 TYR 150 122.741 6.752 5.619 538 HE2 TYR 150 HE2 TYR 150 124.261 4.126 2.621 539 HH TYR 150 HH TYR 150 121.791 5.047 3.051 540 H ASP 151 H ASP 151 129.384 5.973 7.692 541 HA ASP 151 HA ASP 151 128.529 8.587 7.062 542 1HB ASP 151 2HB ASP 151 130.928 7.568 8.587 543 2HB ASP 151 1HB ASP 151 130.534 9.278 8.443 544 H GLU 152 H GLU 152 131.684 7.025 6.468 545 HA GLU 152 HA GLU 152 132.515 9.126 4.699 546 1HB GLU 152 2HB GLU 152 134.536 7.831 4.398 547 2HB GLU 152 1HB GLU 152 134.113 7.868 6.105 548 1HG GLU 152 2HG GLU 152 132.890 5.616 5.474 549 2HG GLU 152 1HG GLU 152 134.098 5.609 4.190 550 H PHE 153 H PHE 153 131.191 5.893 4.350 551 HA PHE 153 HA PHE 153 131.686 5.490 1.632 552 1HB PHE 153 2HB PHE 153 130.810 3.780 3.249 553 2HB PHE 153 1HB PHE 153 129.236 4.562 3.144 554 HD1 PHE 153 HD1 PHE 153 127.933 4.456 1.079 555 HD2 PHE 153 HD2 PHE 153 131.646 2.413 1.475 556 HE1 PHE 153 HE1 PHE 153 127.388 3.092 -0.896 557 HE2 PHE 153 HE2 PHE 153 131.108 1.046 -0.500 558 HZ PHE 153 HZ PHE 153 128.977 1.386 -1.688 559 H LEU 154 H LEU 154 129.311 7.450 3.258 560 HA LEU 154 HA LEU 154 127.527 7.802 1.092 561 1HB LEU 154 2HB LEU 154 127.960 8.968 3.740 562 2HB LEU 154 1HB LEU 154 127.341 10.122 2.573 563 HG LEU 154 HG LEU 154 125.382 8.804 2.184 564 1HD1 LEU 154 1HD1 LEU 154 125.597 6.727 4.106 565 2HD1 LEU 154 2HD1 LEU 154 127.011 6.652 3.056 566 3HD1 LEU 154 3HD1 LEU 154 125.392 6.595 2.360 567 1HD2 LEU 154 1HD2 LEU 154 124.301 9.080 4.224 568 2HD2 LEU 154 2HD2 LEU 154 125.652 10.209 4.325 569 3HD2 LEU 154 3HD2 LEU 154 125.737 8.655 5.155 570 H GLU 155 H GLU 155 130.505 9.389 2.037 571 HA GLU 155 HA GLU 155 130.209 11.478 0.053 572 1HB GLU 155 2HB GLU 155 132.446 10.768 1.952 573 2HB GLU 155 1HB GLU 155 132.532 12.103 0.812 574 1HG GLU 155 2HG GLU 155 130.932 13.337 1.934 575 2HG GLU 155 1HG GLU 155 130.262 11.921 2.743 576 H PHE 156 H PHE 156 132.101 8.535 0.518 577 HA PHE 156 HA PHE 156 133.807 8.791 -1.686 578 1HB PHE 156 2HB PHE 156 134.143 7.126 0.090 579 2HB PHE 156 1HB PHE 156 132.703 6.264 -0.443 580 HD1 PHE 156 HD1 PHE 156 135.732 7.666 -2.124 581 HD2 PHE 156 HD2 PHE 156 133.188 4.308 -1.519 582 HE1 PHE 156 HE1 PHE 156 137.105 6.350 -3.685 583 HE2 PHE 156 HE2 PHE 156 134.557 2.986 -3.079 584 HZ PHE 156 HZ PHE 156 136.517 4.007 -4.164 585 H MET 157 H MET 157 130.607 7.289 -1.407 586 HA MET 157 HA MET 157 130.518 6.489 -4.152 587 1HB MET 157 2HB MET 157 128.884 6.168 -1.795 588 2HB MET 157 1HB MET 157 127.886 6.633 -3.166 589 1HG MET 157 2HG MET 157 129.833 4.340 -3.183 590 2HG MET 157 1HG MET 157 128.110 4.186 -2.848 591 1HE MET 157 1HE MET 157 128.110 2.388 -5.800 592 2HE MET 157 2HE MET 157 129.354 2.487 -4.555 593 3HE MET 157 3HE MET 157 129.743 2.899 -6.226 594 H LYS 158 H LYS 158 129.550 9.309 -2.341 595 HA LYS 158 HA LYS 158 127.950 10.420 -4.457 596 1HB LYS 158 2HB LYS 158 127.477 10.946 -2.108 597 2HB LYS 158 1HB LYS 158 129.058 11.701 -1.952 598 1HG LYS 158 2HG LYS 158 128.067 13.090 -4.039 599 2HG LYS 158 1HG LYS 158 126.582 12.723 -3.160 600 1HD LYS 158 2HD LYS 158 127.768 13.582 -1.088 601 2HD LYS 158 1HD LYS 158 129.013 14.199 -2.176 602 1HE LYS 158 2HE LYS 158 127.465 15.641 -3.259 603 2HE LYS 158 1HE LYS 158 126.093 14.870 -2.466 604 1HZ LYS 158 1HZ LYS 158 128.137 16.639 -1.262 605 2HZ LYS 158 2HZ LYS 158 127.119 15.671 -0.320 606 3HZ LYS 158 3HZ LYS 158 126.460 16.866 -1.320 607 H GLY 159 H GLY 159 129.974 9.922 -5.897 608 1HA GLY 159 2HA GLY 159 131.084 11.330 -7.492 609 2HA GLY 159 1HA GLY 159 131.384 12.487 -6.205 610 H VAL 160 H VAL 160 132.144 9.122 -7.093 611 HA VAL 160 HA VAL 160 134.442 8.938 -5.460 612 HB VAL 160 HB VAL 160 133.890 7.362 -7.976 613 1HG1 VAL 160 1HG1 VAL 160 136.150 7.373 -6.508 614 2HG1 VAL 160 2HG1 VAL 160 135.553 5.961 -7.377 615 3HG1 VAL 160 3HG1 VAL 160 135.225 6.138 -5.653 616 1HG2 VAL 160 1HG2 VAL 160 133.211 6.186 -5.369 617 2HG2 VAL 160 2HG2 VAL 160 132.363 6.093 -6.912 618 3HG2 VAL 160 3HG2 VAL 160 132.172 7.514 -5.886 619 H GLU 161 H GLU 161 133.958 9.883 -8.824 620 HA GLU 161 HA GLU 161 136.826 10.500 -9.032 621 1HB GLU 161 2HB GLU 161 134.724 9.866 -11.083 622 2HB GLU 161 1HB GLU 161 136.196 10.713 -11.538 623 1HG GLU 161 2HG GLU 161 137.255 8.656 -10.177 624 2HG GLU 161 1HG GLU 161 135.782 7.898 -10.781 Start of MODEL 9 1 1H MET 81 1HT MET 81 90.147 8.601 1.213 2 2H MET 81 2HT MET 81 91.727 9.209 0.930 3 3H MET 81 3HT MET 81 90.356 10.106 0.418 4 HA MET 81 HA MET 81 91.476 10.906 2.454 5 1HB MET 81 2HB MET 81 89.310 11.340 3.553 6 2HB MET 81 1HB MET 81 89.216 11.553 1.810 7 1HG MET 81 2HG MET 81 87.771 9.855 1.541 8 2HG MET 81 1HG MET 81 88.525 8.871 2.795 9 1HE MET 81 1HE MET 81 85.730 9.116 1.952 10 2HE MET 81 2HE MET 81 84.615 10.125 2.875 11 3HE MET 81 3HE MET 81 85.188 8.599 3.549 12 H VAL 82 H VAL 82 92.403 8.280 2.568 13 HA VAL 82 HA VAL 82 92.393 7.817 5.362 14 HB VAL 82 HB VAL 82 90.188 6.850 4.902 15 1HG1 VAL 82 1HG1 VAL 82 89.921 5.959 2.865 16 2HG1 VAL 82 2HG1 VAL 82 90.596 4.494 3.579 17 3HG1 VAL 82 3HG1 VAL 82 91.640 5.603 2.691 18 1HG2 VAL 82 1HG2 VAL 82 91.934 5.856 6.548 19 2HG2 VAL 82 2HG2 VAL 82 91.992 4.516 5.401 20 3HG2 VAL 82 3HG2 VAL 82 90.468 4.944 6.183 21 H ARG 83 H ARG 83 94.554 8.228 4.056 22 HA ARG 83 HA ARG 83 95.832 5.603 3.835 23 1HB ARG 83 2HB ARG 83 97.141 6.413 1.868 24 2HB ARG 83 1HB ARG 83 95.427 6.192 1.544 25 1HG ARG 83 2HG ARG 83 95.179 8.682 1.989 26 2HG ARG 83 1HG ARG 83 96.939 8.758 1.898 27 1HD ARG 83 2HD ARG 83 96.945 8.556 -0.333 28 2HD ARG 83 1HD ARG 83 95.720 7.286 -0.309 29 HE ARG 83 HE ARG 83 94.116 8.870 -0.706 30 1HH1 ARG 83 1HH1 ARG 83 97.055 10.465 0.293 31 2HH1 ARG 83 2HH1 ARG 83 96.462 12.053 -0.062 32 1HH2 ARG 83 1HH2 ARG 83 93.334 10.957 -1.174 33 2HH2 ARG 83 2HH2 ARG 83 94.350 12.332 -0.895 34 H CYS 84 H CYS 84 98.120 5.631 4.191 35 HA CYS 84 HA CYS 84 98.964 7.939 5.804 36 1HB CYS 84 2HB CYS 84 100.638 6.325 6.771 37 2HB CYS 84 1HB CYS 84 98.956 5.937 7.110 38 HG CYS 84 HG CYS 84 99.913 4.398 4.708 39 H MET 85 H MET 85 99.129 7.971 2.947 40 HA MET 85 HA MET 85 101.985 8.465 2.690 41 1HB MET 85 2HB MET 85 100.553 6.292 1.329 42 2HB MET 85 1HB MET 85 101.478 7.324 0.248 43 1HG MET 85 2HG MET 85 103.274 6.900 2.236 44 2HG MET 85 1HG MET 85 102.385 5.378 2.238 45 1HE MET 85 1HE MET 85 105.894 5.217 0.576 46 2HE MET 85 2HE MET 85 105.261 6.344 1.777 47 3HE MET 85 3HE MET 85 105.637 6.909 0.149 48 H LYS 86 H LYS 86 101.853 10.597 2.313 49 HA LYS 86 HA LYS 86 99.989 11.524 0.230 50 1HB LYS 86 2HB LYS 86 100.404 13.804 1.283 51 2HB LYS 86 1HB LYS 86 99.472 12.655 2.235 52 1HG LYS 86 2HG LYS 86 101.465 12.118 3.543 53 2HG LYS 86 1HG LYS 86 102.400 13.269 2.588 54 1HD LYS 86 2HD LYS 86 101.543 15.054 3.669 55 2HD LYS 86 1HD LYS 86 99.932 14.342 3.779 56 1HE LYS 86 2HE LYS 86 100.351 14.009 5.941 57 2HE LYS 86 1HE LYS 86 101.486 12.757 5.439 58 1HZ LYS 86 1HZ LYS 86 102.997 14.931 5.185 59 2HZ LYS 86 2HZ LYS 86 102.922 14.013 6.603 60 3HZ LYS 86 3HZ LYS 86 102.001 15.425 6.460 61 H ASP 87 H ASP 87 103.321 11.424 1.248 62 HA ASP 87 HA ASP 87 104.414 13.366 -0.436 63 1HB ASP 87 2HB ASP 87 106.530 12.024 -0.235 64 2HB ASP 87 1HB ASP 87 105.764 12.410 1.304 65 H ASP 88 H ASP 88 106.150 12.514 -2.172 66 HA ASP 88 HA ASP 88 104.629 11.721 -4.411 67 1HB ASP 88 2HB ASP 88 107.469 12.335 -3.859 68 2HB ASP 88 1HB ASP 88 107.169 11.297 -5.249 69 H SER 89 H SER 89 105.524 9.871 -5.875 70 HA SER 89 HA SER 89 105.064 7.428 -4.447 71 1HB SER 89 2HB SER 89 104.378 8.065 -6.883 72 2HB SER 89 1HB SER 89 106.006 7.528 -7.297 73 HG SER 89 HG SER 89 104.098 5.977 -5.880 74 H LYS 90 H LYS 90 107.819 8.809 -6.220 75 HA LYS 90 HA LYS 90 109.551 6.623 -5.530 76 1HB LYS 90 2HB LYS 90 109.592 8.761 -7.378 77 2HB LYS 90 1HB LYS 90 110.999 8.968 -6.345 78 1HG LYS 90 2HG LYS 90 110.509 6.243 -7.369 79 2HG LYS 90 1HG LYS 90 111.003 7.460 -8.548 80 1HD LYS 90 2HD LYS 90 113.060 7.776 -7.558 81 2HD LYS 90 1HD LYS 90 112.499 7.231 -5.975 82 1HE LYS 90 2HE LYS 90 113.629 5.357 -6.503 83 2HE LYS 90 1HE LYS 90 112.168 4.972 -7.414 84 1HZ LYS 90 1HZ LYS 90 113.159 5.658 -9.409 85 2HZ LYS 90 2HZ LYS 90 114.352 4.746 -8.630 86 3HZ LYS 90 3HZ LYS 90 114.441 6.435 -8.621 87 H GLY 91 H GLY 91 109.691 6.471 -3.314 88 1HA GLY 91 2HA GLY 91 110.596 8.840 -1.836 89 2HA GLY 91 1HA GLY 91 109.949 7.371 -1.123 90 H LYS 92 H LYS 92 112.378 7.314 -3.634 91 HA LYS 92 HA LYS 92 114.211 6.014 -1.776 92 1HB LYS 92 2HB LYS 92 114.104 6.239 -4.776 93 2HB LYS 92 1HB LYS 92 115.531 5.631 -3.949 94 1HG LYS 92 2HG LYS 92 112.785 4.454 -3.612 95 2HG LYS 92 1HG LYS 92 113.968 3.878 -4.789 96 1HD LYS 92 2HD LYS 92 115.292 2.933 -3.199 97 2HD LYS 92 1HD LYS 92 114.877 4.142 -1.981 98 1HE LYS 92 2HE LYS 92 112.654 3.096 -1.746 99 2HE LYS 92 1HE LYS 92 113.135 1.860 -2.908 100 1HZ LYS 92 1HZ LYS 92 114.515 2.369 -0.329 101 2HZ LYS 92 2HZ LYS 92 114.834 1.112 -1.414 102 3HZ LYS 92 3HZ LYS 92 113.366 1.152 -0.576 103 H THR 93 H THR 93 114.989 7.756 -0.582 104 HA THR 93 HA THR 93 116.289 9.948 -1.989 105 HB THR 93 HB THR 93 114.902 10.441 -0.014 106 HG1 THR 93 HG1 THR 93 116.407 11.962 -0.224 107 1HG2 THR 93 1HG2 THR 93 116.776 9.651 2.014 108 2HG2 THR 93 2HG2 THR 93 116.151 8.246 1.150 109 3HG2 THR 93 3HG2 THR 93 115.036 9.378 1.917 110 H GLU 94 H GLU 94 118.376 10.594 -0.378 111 HA GLU 94 HA GLU 94 120.455 8.997 -1.315 112 1HB GLU 94 2HB GLU 94 120.181 11.351 0.265 113 2HB GLU 94 1HB GLU 94 121.299 10.277 1.092 114 1HG GLU 94 2HG GLU 94 122.895 10.513 -0.473 115 2HG GLU 94 1HG GLU 94 121.736 10.580 -1.800 116 H GLU 95 H GLU 95 118.470 8.659 1.509 117 HA GLU 95 HA GLU 95 120.121 7.072 3.111 118 1HB GLU 95 2HB GLU 95 117.661 8.102 3.422 119 2HB GLU 95 1HB GLU 95 117.222 6.439 3.054 120 1HG GLU 95 2HG GLU 95 118.829 5.752 4.881 121 2HG GLU 95 1HG GLU 95 118.891 7.456 5.332 122 H GLU 96 H GLU 96 118.292 6.304 0.250 123 HA GLU 96 HA GLU 96 118.048 3.545 0.490 124 1HB GLU 96 2HB GLU 96 117.809 3.481 -1.904 125 2HB GLU 96 1HB GLU 96 117.026 4.937 -1.306 126 1HG GLU 96 2HG GLU 96 118.136 5.894 -3.005 127 2HG GLU 96 1HG GLU 96 119.459 5.926 -1.841 128 H LEU 97 H LEU 97 120.852 5.486 -0.153 129 HA LEU 97 HA LEU 97 122.527 3.658 -1.408 130 1HB LEU 97 2HB LEU 97 122.927 6.034 0.324 131 2HB LEU 97 1HB LEU 97 124.305 4.974 0.096 132 HG LEU 97 HG LEU 97 122.779 6.046 -2.257 133 1HD1 LEU 97 1HD1 LEU 97 125.215 7.382 -1.131 134 2HD1 LEU 97 2HD1 LEU 97 123.589 7.875 -0.663 135 3HD1 LEU 97 3HD1 LEU 97 124.089 7.977 -2.351 136 1HD2 LEU 97 1HD2 LEU 97 125.703 5.478 -2.152 137 2HD2 LEU 97 2HD2 LEU 97 124.581 5.375 -3.510 138 3HD2 LEU 97 3HD2 LEU 97 124.567 4.133 -2.257 139 H SER 98 H SER 98 121.497 3.841 1.914 140 HA SER 98 HA SER 98 123.480 2.302 3.140 141 1HB SER 98 2HB SER 98 121.935 1.989 4.943 142 2HB SER 98 1HB SER 98 121.635 3.598 4.287 143 HG SER 98 HG SER 98 119.861 1.767 4.643 144 H ASP 99 H ASP 99 120.757 1.378 1.163 145 HA ASP 99 HA ASP 99 120.607 -1.341 1.843 146 1HB ASP 99 2HB ASP 99 119.038 0.136 0.368 147 2HB ASP 99 1HB ASP 99 120.083 -0.381 -0.951 148 H LEU 100 H LEU 100 122.782 0.421 -0.236 149 HA LEU 100 HA LEU 100 123.863 -1.957 -1.467 150 1HB LEU 100 2HB LEU 100 124.583 0.961 -1.574 151 2HB LEU 100 1HB LEU 100 125.595 -0.263 -2.317 152 HG LEU 100 HG LEU 100 122.687 0.150 -3.005 153 1HD1 LEU 100 1HD1 LEU 100 123.411 1.319 -4.966 154 2HD1 LEU 100 2HD1 LEU 100 125.105 1.071 -4.546 155 3HD1 LEU 100 3HD1 LEU 100 124.095 2.121 -3.552 156 1HD2 LEU 100 1HD2 LEU 100 124.872 -1.382 -4.407 157 2HD2 LEU 100 2HD2 LEU 100 123.195 -1.233 -4.930 158 3HD2 LEU 100 3HD2 LEU 100 123.581 -2.097 -3.442 159 H PHE 101 H PHE 101 124.628 0.157 1.207 160 HA PHE 101 HA PHE 101 127.300 -0.702 1.601 161 1HB PHE 101 2HB PHE 101 126.425 1.394 2.549 162 2HB PHE 101 1HB PHE 101 125.349 0.472 3.594 163 HD1 PHE 101 HD1 PHE 101 126.014 0.339 5.776 164 HD2 PHE 101 HD2 PHE 101 128.985 0.453 2.731 165 HE1 PHE 101 HE1 PHE 101 127.773 0.234 7.494 166 HE2 PHE 101 HE2 PHE 101 130.748 0.348 4.443 167 HZ PHE 101 HZ PHE 101 130.144 0.237 6.827 168 H ARG 102 H ARG 102 124.220 -1.674 3.080 169 HA ARG 102 HA ARG 102 125.250 -3.540 4.890 170 1HB ARG 102 2HB ARG 102 122.979 -4.510 4.897 171 2HB ARG 102 1HB ARG 102 122.958 -2.758 5.038 172 1HG ARG 102 2HG ARG 102 121.645 -2.592 3.268 173 2HG ARG 102 1HG ARG 102 122.816 -3.466 2.278 174 1HD ARG 102 2HD ARG 102 120.947 -4.910 4.127 175 2HD ARG 102 1HD ARG 102 120.443 -4.431 2.506 176 HE ARG 102 HE ARG 102 122.772 -5.741 2.073 177 1HH1 ARG 102 1HH1 ARG 102 119.848 -6.563 3.792 178 2HH1 ARG 102 2HH1 ARG 102 119.999 -8.261 3.487 179 1HH2 ARG 102 1HH2 ARG 102 122.971 -7.974 1.672 180 2HH2 ARG 102 2HH2 ARG 102 121.772 -9.062 2.285 181 H MET 103 H MET 103 124.611 -3.769 1.467 182 HA MET 103 HA MET 103 124.659 -6.588 1.249 183 1HB MET 103 2HB MET 103 125.100 -4.340 -0.696 184 2HB MET 103 1HB MET 103 125.339 -6.012 -1.185 185 1HG MET 103 2HG MET 103 122.903 -6.171 -0.024 186 2HG MET 103 1HG MET 103 122.862 -4.529 -0.659 187 1HE MET 103 1HE MET 103 120.875 -7.152 -2.962 188 2HE MET 103 2HE MET 103 120.696 -5.436 -2.593 189 3HE MET 103 3HE MET 103 120.908 -6.603 -1.287 190 H PHE 104 H PHE 104 127.182 -4.118 0.926 191 HA PHE 104 HA PHE 104 129.272 -5.817 0.156 192 1HB PHE 104 2HB PHE 104 129.007 -3.080 1.171 193 2HB PHE 104 1HB PHE 104 130.524 -3.849 1.619 194 HD1 PHE 104 HD1 PHE 104 132.166 -4.429 -0.048 195 HD2 PHE 104 HD2 PHE 104 128.465 -2.637 -1.150 196 HE1 PHE 104 HE1 PHE 104 133.073 -3.941 -2.282 197 HE2 PHE 104 HE2 PHE 104 129.365 -2.149 -3.388 198 HZ PHE 104 HZ PHE 104 131.671 -2.801 -3.956 199 H ASP 105 H ASP 105 128.213 -4.772 3.376 200 HA ASP 105 HA ASP 105 130.233 -6.072 4.836 201 1HB ASP 105 2HB ASP 105 128.106 -4.421 5.447 202 2HB ASP 105 1HB ASP 105 127.644 -5.945 6.198 203 H LYS 106 H LYS 106 130.517 -8.129 5.454 204 HA LYS 106 HA LYS 106 128.862 -10.172 4.324 205 1HB LYS 106 2HB LYS 106 131.489 -9.986 5.392 206 2HB LYS 106 1HB LYS 106 130.644 -11.234 6.297 207 1HG LYS 106 2HG LYS 106 130.573 -11.204 3.306 208 2HG LYS 106 1HG LYS 106 131.946 -11.890 4.176 209 1HD LYS 106 2HD LYS 106 129.108 -12.705 4.748 210 2HD LYS 106 1HD LYS 106 130.084 -13.495 3.509 211 1HE LYS 106 2HE LYS 106 130.981 -13.210 6.366 212 2HE LYS 106 1HE LYS 106 130.061 -14.597 5.787 213 1HZ LYS 106 1HZ LYS 106 132.582 -13.760 4.489 214 2HZ LYS 106 2HZ LYS 106 131.797 -15.256 4.397 215 3HZ LYS 106 3HZ LYS 106 132.578 -14.796 5.826 216 H ASN 107 H ASN 107 129.844 -9.631 7.712 217 HA ASN 107 HA ASN 107 127.503 -11.074 8.631 218 1HB ASN 107 2HB ASN 107 128.502 -10.640 10.906 219 2HB ASN 107 1HB ASN 107 129.523 -11.560 9.807 220 1HD2 ASN 107 1HD2 ASN 107 129.363 -8.947 11.875 221 2HD2 ASN 107 2HD2 ASN 107 130.826 -8.154 11.412 222 H ALA 108 H ALA 108 128.231 -7.879 7.864 223 HA ALA 108 HA ALA 108 127.104 -5.922 8.123 224 1HB ALA 108 1HB ALA 108 124.719 -6.336 9.303 225 2HB ALA 108 2HB ALA 108 125.066 -7.966 8.726 226 3HB ALA 108 3HB ALA 108 125.024 -6.618 7.589 227 H ASP 109 H ASP 109 128.834 -5.516 9.717 228 HA ASP 109 HA ASP 109 127.844 -5.453 12.484 229 1HB ASP 109 2HB ASP 109 130.264 -5.078 13.073 230 2HB ASP 109 1HB ASP 109 129.915 -6.642 12.345 231 H GLY 110 H GLY 110 128.726 -3.487 9.796 232 1HA GLY 110 2HA GLY 110 127.723 -1.197 9.987 233 2HA GLY 110 1HA GLY 110 128.585 -1.087 11.512 234 H TYR 111 H TYR 111 130.884 -2.589 10.220 235 HA TYR 111 HA TYR 111 131.912 -0.414 8.526 236 1HB TYR 111 2HB TYR 111 133.396 -1.805 10.766 237 2HB TYR 111 1HB TYR 111 134.119 -0.669 9.633 238 HD1 TYR 111 HD1 TYR 111 133.757 1.699 9.852 239 HD2 TYR 111 HD2 TYR 111 131.795 -1.027 12.462 240 HE1 TYR 111 HE1 TYR 111 133.130 3.567 11.321 241 HE2 TYR 111 HE2 TYR 111 131.161 0.833 13.939 242 HH TYR 111 HH TYR 111 130.814 3.313 13.732 243 H ILE 112 H ILE 112 133.825 -1.065 7.236 244 HA ILE 112 HA ILE 112 133.832 -3.945 6.621 245 HB ILE 112 HB ILE 112 133.983 -1.772 4.531 246 1HG1 ILE 112 2HG1 ILE 112 131.640 -3.611 4.984 247 2HG1 ILE 112 1HG1 ILE 112 131.741 -2.036 5.764 248 1HG2 ILE 112 1HG2 ILE 112 135.097 -3.701 3.758 249 2HG2 ILE 112 2HG2 ILE 112 133.493 -3.750 3.026 250 3HG2 ILE 112 3HG2 ILE 112 133.859 -4.773 4.415 251 1HD1 ILE 112 1HD1 ILE 112 130.404 -1.860 3.786 252 2HD1 ILE 112 2HD1 ILE 112 131.679 -2.585 2.808 253 3HD1 ILE 112 3HD1 ILE 112 131.919 -0.995 3.530 254 H ASP 113 H ASP 113 135.789 -4.820 5.977 255 HA ASP 113 HA ASP 113 138.108 -3.030 5.881 256 1HB ASP 113 2HB ASP 113 139.385 -4.541 7.348 257 2HB ASP 113 1HB ASP 113 137.992 -3.858 8.179 258 H LEU 114 H LEU 114 140.138 -4.685 5.508 259 HA LEU 114 HA LEU 114 139.886 -5.538 2.858 260 1HB LEU 114 2HB LEU 114 141.925 -5.805 4.992 261 2HB LEU 114 1HB LEU 114 142.043 -6.931 3.654 262 HG LEU 114 HG LEU 114 143.448 -4.889 3.400 263 1HD1 LEU 114 1HD1 LEU 114 142.103 -6.288 1.518 264 2HD1 LEU 114 2HD1 LEU 114 143.264 -5.009 1.164 265 3HD1 LEU 114 3HD1 LEU 114 141.537 -4.652 1.180 266 1HD2 LEU 114 1HD2 LEU 114 140.806 -3.483 3.033 267 2HD2 LEU 114 2HD2 LEU 114 142.415 -2.777 2.875 268 3HD2 LEU 114 3HD2 LEU 114 141.843 -3.323 4.451 269 H GLU 115 H GLU 115 139.633 -7.314 5.893 270 HA GLU 115 HA GLU 115 139.538 -9.902 4.748 271 1HB GLU 115 2HB GLU 115 138.260 -9.070 7.353 272 2HB GLU 115 1HB GLU 115 138.844 -10.667 6.904 273 1HG GLU 115 2HG GLU 115 140.494 -8.216 7.460 274 2HG GLU 115 1HG GLU 115 140.391 -9.683 8.433 275 H GLU 116 H GLU 116 136.965 -7.731 5.906 276 HA GLU 116 HA GLU 116 134.819 -9.403 5.176 277 1HB GLU 116 2HB GLU 116 134.814 -7.353 6.723 278 2HB GLU 116 1HB GLU 116 134.667 -6.397 5.255 279 1HG GLU 116 2HG GLU 116 132.473 -6.613 5.605 280 2HG GLU 116 1HG GLU 116 132.690 -8.208 4.888 281 H LEU 117 H LEU 117 136.647 -6.985 3.409 282 HA LEU 117 HA LEU 117 134.865 -6.970 1.151 283 1HB LEU 117 2HB LEU 117 136.617 -5.173 2.025 284 2HB LEU 117 1HB LEU 117 137.681 -6.033 0.927 285 HG LEU 117 HG LEU 117 136.023 -5.615 -0.902 286 1HD1 LEU 117 1HD1 LEU 117 134.101 -4.476 -0.604 287 2HD1 LEU 117 2HD1 LEU 117 134.785 -3.432 0.642 288 3HD1 LEU 117 3HD1 LEU 117 134.260 -5.066 1.052 289 1HD2 LEU 117 1HD2 LEU 117 136.756 -2.952 0.185 290 2HD2 LEU 117 2HD2 LEU 117 136.985 -3.619 -1.432 291 3HD2 LEU 117 3HD2 LEU 117 138.053 -4.107 -0.117 292 H LYS 118 H LYS 118 137.730 -8.707 2.116 293 HA LYS 118 HA LYS 118 138.515 -9.685 -0.403 294 1HB LYS 118 2HB LYS 118 139.953 -9.797 1.582 295 2HB LYS 118 1HB LYS 118 138.851 -10.950 2.323 296 1HG LYS 118 2HG LYS 118 139.312 -12.518 0.463 297 2HG LYS 118 1HG LYS 118 140.504 -11.375 -0.155 298 1HD LYS 118 2HD LYS 118 141.640 -11.521 2.090 299 2HD LYS 118 1HD LYS 118 140.554 -12.859 2.466 300 1HE LYS 118 2HE LYS 118 142.507 -12.738 0.170 301 2HE LYS 118 1HE LYS 118 142.701 -13.676 1.650 302 1HZ LYS 118 1HZ LYS 118 140.460 -14.052 -0.258 303 2HZ LYS 118 2HZ LYS 118 140.857 -15.035 1.060 304 3HZ LYS 118 3HZ LYS 118 141.881 -14.969 -0.284 305 H ILE 119 H ILE 119 136.021 -10.674 1.825 306 HA ILE 119 HA ILE 119 135.573 -13.260 0.730 307 HB ILE 119 HB ILE 119 133.579 -11.546 2.213 308 1HG1 ILE 119 2HG1 ILE 119 135.070 -13.630 3.675 309 2HG1 ILE 119 1HG1 ILE 119 136.031 -12.240 3.185 310 1HG2 ILE 119 1HG2 ILE 119 133.629 -14.473 2.527 311 2HG2 ILE 119 2HG2 ILE 119 133.125 -13.879 0.945 312 3HG2 ILE 119 3HG2 ILE 119 132.263 -13.367 2.395 313 1HD1 ILE 119 1HD1 ILE 119 133.951 -12.472 5.227 314 2HD1 ILE 119 2HD1 ILE 119 133.851 -11.022 4.227 315 3HD1 ILE 119 3HD1 ILE 119 135.329 -11.375 5.121 316 H MET 120 H MET 120 133.619 -10.281 0.479 317 HA MET 120 HA MET 120 131.842 -11.179 -1.451 318 1HB MET 120 2HB MET 120 131.511 -8.757 -1.996 319 2HB MET 120 1HB MET 120 131.388 -9.142 -0.285 320 1HG MET 120 2HG MET 120 132.645 -7.229 -0.241 321 2HG MET 120 1HG MET 120 133.893 -8.472 -0.220 322 1HE MET 120 1HE MET 120 132.531 -5.726 -3.494 323 2HE MET 120 2HE MET 120 131.532 -6.791 -2.503 324 3HE MET 120 3HE MET 120 132.212 -7.378 -4.021 325 H LEU 121 H LEU 121 135.102 -9.968 -1.807 326 HA LEU 121 HA LEU 121 134.948 -9.631 -4.648 327 1HB LEU 121 2HB LEU 121 136.710 -8.860 -2.651 328 2HB LEU 121 1HB LEU 121 137.625 -10.036 -3.575 329 HG LEU 121 HG LEU 121 136.789 -8.609 -5.628 330 1HD1 LEU 121 1HD1 LEU 121 136.352 -6.844 -3.263 331 2HD1 LEU 121 2HD1 LEU 121 135.395 -7.015 -4.735 332 3HD1 LEU 121 3HD1 LEU 121 136.928 -6.144 -4.776 333 1HD2 LEU 121 1HD2 LEU 121 138.915 -7.884 -5.761 334 2HD2 LEU 121 2HD2 LEU 121 139.145 -8.898 -4.335 335 3HD2 LEU 121 3HD2 LEU 121 138.883 -7.162 -4.151 336 H GLN 122 H GLN 122 135.791 -12.222 -2.471 337 HA GLN 122 HA GLN 122 137.150 -13.862 -4.338 338 1HB GLN 122 2HB GLN 122 135.846 -14.315 -1.682 339 2HB GLN 122 1HB GLN 122 136.339 -15.700 -2.645 340 1HG GLN 122 2HG GLN 122 138.287 -13.504 -2.128 341 2HG GLN 122 1HG GLN 122 137.945 -14.686 -0.865 342 1HE2 GLN 122 1HE2 GLN 122 139.129 -14.260 -4.136 343 2HE2 GLN 122 2HE2 GLN 122 140.029 -15.732 -4.206 344 H ALA 123 H ALA 123 133.779 -13.356 -3.588 345 HA ALA 123 HA ALA 123 132.695 -15.664 -4.758 346 1HB ALA 123 1HB ALA 123 131.355 -12.971 -4.746 347 2HB ALA 123 2HB ALA 123 131.513 -13.966 -3.300 348 3HB ALA 123 3HB ALA 123 130.605 -14.566 -4.687 349 H THR 124 H THR 124 133.630 -12.560 -6.143 350 HA THR 124 HA THR 124 132.485 -12.864 -8.676 351 HB THR 124 HB THR 124 134.039 -11.158 -9.420 352 HG1 THR 124 HG1 THR 124 135.935 -11.969 -8.479 353 1HG2 THR 124 1HG2 THR 124 133.188 -9.497 -8.207 354 2HG2 THR 124 2HG2 THR 124 133.804 -10.156 -6.692 355 3HG2 THR 124 3HG2 THR 124 132.296 -10.768 -7.371 356 H GLY 125 H GLY 125 134.103 -12.868 -10.689 357 1HA GLY 125 2HA GLY 125 135.516 -15.446 -10.496 358 2HA GLY 125 1HA GLY 125 134.833 -14.775 -11.969 359 H GLU 126 H GLU 126 135.962 -12.082 -11.235 360 HA GLU 126 HA GLU 126 138.297 -12.194 -12.758 361 1HB GLU 126 2HB GLU 126 137.159 -10.150 -10.875 362 2HB GLU 126 1HB GLU 126 138.740 -9.903 -11.605 363 1HG GLU 126 2HG GLU 126 137.410 -10.455 -13.819 364 2HG GLU 126 1HG GLU 126 136.049 -9.889 -12.849 365 H THR 127 H THR 127 140.458 -12.260 -12.273 366 HA THR 127 HA THR 127 141.151 -13.490 -9.752 367 HB THR 127 HB THR 127 143.460 -13.553 -10.767 368 HG1 THR 127 HG1 THR 127 142.981 -11.713 -12.192 369 1HG2 THR 127 1HG2 THR 127 142.776 -15.049 -12.736 370 2HG2 THR 127 2HG2 THR 127 141.127 -14.787 -12.167 371 3HG2 THR 127 3HG2 THR 127 142.318 -15.538 -11.105 372 H ILE 128 H ILE 128 140.783 -11.803 -8.266 373 HA ILE 128 HA ILE 128 142.486 -9.431 -8.508 374 HB ILE 128 HB ILE 128 140.353 -9.973 -6.441 375 1HG1 ILE 128 2HG1 ILE 128 139.821 -7.995 -8.558 376 2HG1 ILE 128 1HG1 ILE 128 139.880 -9.664 -9.117 377 1HG2 ILE 128 1HG2 ILE 128 140.563 -7.276 -6.703 378 2HG2 ILE 128 2HG2 ILE 128 142.232 -7.782 -6.958 379 3HG2 ILE 128 3HG2 ILE 128 141.390 -8.233 -5.475 380 1HD1 ILE 128 1HD1 ILE 128 137.704 -9.625 -8.575 381 2HD1 ILE 128 2HD1 ILE 128 137.901 -8.297 -7.432 382 3HD1 ILE 128 3HD1 ILE 128 138.311 -9.943 -6.952 383 H THR 129 H THR 129 144.190 -9.060 -7.210 384 HA THR 129 HA THR 129 145.028 -11.199 -5.434 385 HB THR 129 HB THR 129 146.662 -8.740 -5.676 386 HG1 THR 129 HG1 THR 129 146.563 -8.725 -7.758 387 1HG2 THR 129 1HG2 THR 129 147.877 -10.382 -4.654 388 2HG2 THR 129 2HG2 THR 129 148.343 -10.625 -6.337 389 3HG2 THR 129 3HG2 THR 129 147.133 -11.673 -5.597 390 H GLU 130 H GLU 130 146.316 -10.258 -3.410 391 HA GLU 130 HA GLU 130 144.314 -9.186 -1.688 392 1HB GLU 130 2HB GLU 130 146.296 -10.803 -1.161 393 2HB GLU 130 1HB GLU 130 147.214 -9.321 -0.942 394 1HG GLU 130 2HG GLU 130 145.769 -8.604 0.818 395 2HG GLU 130 1HG GLU 130 144.656 -9.935 0.511 396 H ASP 131 H ASP 131 147.053 -7.868 -3.406 397 HA ASP 131 HA ASP 131 147.159 -5.397 -1.988 398 1HB ASP 131 2HB ASP 131 148.464 -6.585 -4.344 399 2HB ASP 131 1HB ASP 131 148.280 -4.835 -4.420 400 H ASP 132 H ASP 132 145.490 -6.531 -4.865 401 HA ASP 132 HA ASP 132 144.601 -4.024 -5.799 402 1HB ASP 132 2HB ASP 132 144.080 -6.836 -6.388 403 2HB ASP 132 1HB ASP 132 142.647 -5.829 -6.578 404 H ILE 133 H ILE 133 143.428 -6.174 -3.318 405 HA ILE 133 HA ILE 133 140.850 -4.948 -3.070 406 HB ILE 133 HB ILE 133 142.274 -6.624 -1.004 407 1HG1 ILE 133 2HG1 ILE 133 140.263 -7.799 -2.862 408 2HG1 ILE 133 1HG1 ILE 133 141.883 -7.520 -3.490 409 1HG2 ILE 133 1HG2 ILE 133 139.617 -7.187 -0.834 410 2HG2 ILE 133 2HG2 ILE 133 139.592 -5.477 -1.263 411 3HG2 ILE 133 3HG2 ILE 133 140.465 -6.014 0.171 412 1HD1 ILE 133 1HD1 ILE 133 142.440 -8.750 -1.144 413 2HD1 ILE 133 2HD1 ILE 133 142.281 -9.570 -2.698 414 3HD1 ILE 133 3HD1 ILE 133 140.914 -9.516 -1.585 415 H GLU 134 H GLU 134 144.012 -4.410 -1.712 416 HA GLU 134 HA GLU 134 143.249 -2.881 0.536 417 1HB GLU 134 2HB GLU 134 145.752 -3.301 -1.011 418 2HB GLU 134 1HB GLU 134 145.674 -1.875 0.015 419 1HG GLU 134 2HG GLU 134 144.759 -3.803 1.698 420 2HG GLU 134 1HG GLU 134 145.926 -4.699 0.727 421 H GLU 135 H GLU 135 144.324 -1.879 -2.711 422 HA GLU 135 HA GLU 135 144.072 0.875 -2.335 423 1HB GLU 135 2HB GLU 135 144.048 1.054 -4.757 424 2HB GLU 135 1HB GLU 135 145.222 -0.155 -4.258 425 1HG GLU 135 2HG GLU 135 144.241 -1.687 -5.510 426 2HG GLU 135 1HG GLU 135 142.699 -1.418 -4.698 427 H LEU 136 H LEU 136 141.667 -1.561 -2.982 428 HA LEU 136 HA LEU 136 139.590 0.055 -3.936 429 1HB LEU 136 2HB LEU 136 139.919 -2.617 -3.362 430 2HB LEU 136 1HB LEU 136 138.735 -2.116 -2.170 431 HG LEU 136 HG LEU 136 137.970 -1.055 -4.715 432 1HD1 LEU 136 1HD1 LEU 136 138.890 -2.634 -6.046 433 2HD1 LEU 136 2HD1 LEU 136 137.467 -3.544 -5.540 434 3HD1 LEU 136 3HD1 LEU 136 139.017 -3.818 -4.746 435 1HD2 LEU 136 1HD2 LEU 136 135.912 -1.917 -4.155 436 2HD2 LEU 136 2HD2 LEU 136 136.667 -1.776 -2.567 437 3HD2 LEU 136 3HD2 LEU 136 136.598 -3.341 -3.376 438 H MET 137 H MET 137 140.721 -0.591 -0.678 439 HA MET 137 HA MET 137 138.499 0.810 0.540 440 1HB MET 137 2HB MET 137 139.685 -1.188 1.563 441 2HB MET 137 1HB MET 137 141.036 -0.110 1.890 442 1HG MET 137 2HG MET 137 139.966 0.949 3.573 443 2HG MET 137 1HG MET 137 138.382 0.785 2.818 444 1HE MET 137 1HE MET 137 136.550 -1.180 4.171 445 2HE MET 137 2HE MET 137 137.238 -2.677 3.540 446 3HE MET 137 3HE MET 137 137.187 -1.234 2.528 447 H LYS 138 H LYS 138 141.577 1.603 -0.723 448 HA LYS 138 HA LYS 138 142.377 3.727 0.886 449 1HB LYS 138 2HB LYS 138 143.388 2.561 -1.321 450 2HB LYS 138 1HB LYS 138 142.757 4.037 -2.037 451 1HG LYS 138 2HG LYS 138 144.691 4.965 -1.461 452 2HG LYS 138 1HG LYS 138 144.077 4.951 0.193 453 1HD LYS 138 2HD LYS 138 145.021 2.485 0.149 454 2HD LYS 138 1HD LYS 138 146.045 3.148 -1.124 455 1HE LYS 138 2HE LYS 138 146.357 5.079 0.675 456 2HE LYS 138 1HE LYS 138 145.978 3.758 1.779 457 1HZ LYS 138 1HZ LYS 138 147.910 2.710 1.334 458 2HZ LYS 138 2HZ LYS 138 148.429 4.272 0.939 459 3HZ LYS 138 3HZ LYS 138 147.955 3.204 -0.285 460 H ASP 139 H ASP 139 140.637 4.003 -2.221 461 HA ASP 139 HA ASP 139 139.936 6.724 -1.744 462 1HB ASP 139 2HB ASP 139 138.792 6.639 -3.834 463 2HB ASP 139 1HB ASP 139 140.242 5.656 -4.011 464 H GLY 140 H GLY 140 138.522 3.713 -0.870 465 1HA GLY 140 2HA GLY 140 135.848 4.771 -0.541 466 2HA GLY 140 1HA GLY 140 136.400 3.166 -0.087 467 H ASP 141 H ASP 141 138.684 4.351 1.432 468 HA ASP 141 HA ASP 141 137.169 4.920 3.868 469 1HB ASP 141 2HB ASP 141 138.892 3.094 3.830 470 2HB ASP 141 1HB ASP 141 140.121 4.331 3.594 471 H LYS 142 H LYS 142 137.237 6.826 4.913 472 HA LYS 142 HA LYS 142 139.211 8.826 4.061 473 1HB LYS 142 2HB LYS 142 136.242 9.305 4.372 474 2HB LYS 142 1HB LYS 142 137.443 10.563 4.107 475 1HG LYS 142 2HG LYS 142 137.361 8.336 2.157 476 2HG LYS 142 1HG LYS 142 136.026 9.490 2.134 477 1HD LYS 142 2HD LYS 142 137.849 11.296 2.112 478 2HD LYS 142 1HD LYS 142 138.954 9.990 1.684 479 1HE LYS 142 2HE LYS 142 138.098 9.765 -0.400 480 2HE LYS 142 1HE LYS 142 136.456 10.148 0.119 481 1HZ LYS 142 1HZ LYS 142 138.364 12.335 0.231 482 2HZ LYS 142 2HZ LYS 142 136.749 12.331 -0.270 483 3HZ LYS 142 3HZ LYS 142 137.963 11.795 -1.321 484 H ASN 143 H ASN 143 138.860 7.068 6.454 485 HA ASN 143 HA ASN 143 138.749 9.200 8.488 486 1HB ASN 143 2HB ASN 143 137.579 6.467 8.461 487 2HB ASN 143 1HB ASN 143 138.243 7.041 9.988 488 1HD2 ASN 143 1HD2 ASN 143 137.617 9.561 10.205 489 2HD2 ASN 143 2HD2 ASN 143 135.913 9.829 10.108 490 H ASN 144 H ASN 144 140.756 7.065 6.911 491 HA ASN 144 HA ASN 144 142.874 6.327 7.264 492 1HB ASN 144 2HB ASN 144 142.633 8.759 8.895 493 2HB ASN 144 1HB ASN 144 143.907 7.666 9.425 494 1HD2 ASN 144 1HD2 ASN 144 142.618 8.659 6.270 495 2HD2 ASN 144 2HD2 ASN 144 144.145 9.106 5.597 496 H ASP 145 H ASP 145 140.626 5.063 8.652 497 HA ASP 145 HA ASP 145 141.957 4.035 11.062 498 1HB ASP 145 2HB ASP 145 139.748 3.184 11.718 499 2HB ASP 145 1HB ASP 145 139.698 4.919 11.418 500 H GLY 146 H GLY 146 141.107 3.226 7.845 501 1HA GLY 146 2HA GLY 146 141.935 1.338 6.711 502 2HA GLY 146 1HA GLY 146 142.157 0.534 8.257 503 H ARG 147 H ARG 147 139.159 2.127 7.498 504 HA ARG 147 HA ARG 147 137.871 -0.273 6.545 505 1HB ARG 147 2HB ARG 147 137.010 0.881 9.202 506 2HB ARG 147 1HB ARG 147 136.304 -0.502 8.375 507 1HG ARG 147 2HG ARG 147 138.469 -1.688 8.624 508 2HG ARG 147 1HG ARG 147 139.055 -0.327 9.583 509 1HD ARG 147 2HD ARG 147 137.088 -0.694 11.107 510 2HD ARG 147 1HD ARG 147 136.773 -2.187 10.224 511 HE ARG 147 HE ARG 147 138.531 -3.166 11.318 512 1HH1 ARG 147 1HH1 ARG 147 138.728 0.294 11.732 513 2HH1 ARG 147 2HH1 ARG 147 140.012 0.207 12.892 514 1HH2 ARG 147 1HH2 ARG 147 140.218 -3.283 12.844 515 2HH2 ARG 147 2HH2 ARG 147 140.858 -1.823 13.522 516 H ILE 148 H ILE 148 135.487 0.108 6.213 517 HA ILE 148 HA ILE 148 134.993 2.951 5.599 518 HB ILE 148 HB ILE 148 133.888 0.609 4.052 519 1HG1 ILE 148 2HG1 ILE 148 136.163 2.441 3.264 520 2HG1 ILE 148 1HG1 ILE 148 136.378 0.803 3.873 521 1HG2 ILE 148 1HG2 ILE 148 133.802 3.588 3.705 522 2HG2 ILE 148 2HG2 ILE 148 132.463 2.440 3.757 523 3HG2 ILE 148 3HG2 ILE 148 133.531 2.488 2.354 524 1HD1 ILE 148 1HD1 ILE 148 136.515 0.508 1.598 525 2HD1 ILE 148 2HD1 ILE 148 135.282 1.722 1.260 526 3HD1 ILE 148 3HD1 ILE 148 134.815 0.149 1.910 527 H ASP 149 H ASP 149 132.963 3.780 6.005 528 HA ASP 149 HA ASP 149 131.001 1.991 7.255 529 1HB ASP 149 2HB ASP 149 130.557 3.679 8.998 530 2HB ASP 149 1HB ASP 149 132.212 3.082 9.075 531 H TYR 150 H TYR 150 128.967 3.591 7.790 532 HA TYR 150 HA TYR 150 127.804 4.126 5.305 533 1HB TYR 150 2HB TYR 150 126.644 3.707 7.542 534 2HB TYR 150 1HB TYR 150 126.927 5.409 7.890 535 HD1 TYR 150 HD1 TYR 150 125.844 3.645 4.777 536 HD2 TYR 150 HD2 TYR 150 124.907 6.526 7.766 537 HE1 TYR 150 HE1 TYR 150 123.788 4.230 3.561 538 HE2 TYR 150 HE2 TYR 150 122.849 7.119 6.557 539 HH TYR 150 HH TYR 150 121.931 6.993 4.312 540 H ASP 151 H ASP 151 129.301 6.308 7.663 541 HA ASP 151 HA ASP 151 128.704 8.721 6.362 542 1HB ASP 151 2HB ASP 151 130.634 7.836 8.434 543 2HB ASP 151 1HB ASP 151 131.022 9.335 7.593 544 H GLU 152 H GLU 152 131.471 6.533 6.063 545 HA GLU 152 HA GLU 152 132.834 8.188 4.162 546 1HB GLU 152 2HB GLU 152 133.287 5.251 4.695 547 2HB GLU 152 1HB GLU 152 134.422 6.393 3.987 548 1HG GLU 152 2HG GLU 152 134.701 7.525 6.057 549 2HG GLU 152 1HG GLU 152 133.367 6.635 6.790 550 H PHE 153 H PHE 153 130.667 5.423 4.007 551 HA PHE 153 HA PHE 153 130.999 4.807 1.284 552 1HB PHE 153 2HB PHE 153 129.741 3.530 3.192 553 2HB PHE 153 1HB PHE 153 128.356 4.476 2.660 554 HD1 PHE 153 HD1 PHE 153 127.120 3.840 0.782 555 HD2 PHE 153 HD2 PHE 153 130.923 2.071 1.502 556 HE1 PHE 153 HE1 PHE 153 126.698 2.211 -1.013 557 HE2 PHE 153 HE2 PHE 153 130.508 0.438 -0.293 558 HZ PHE 153 HZ PHE 153 128.393 0.508 -1.553 559 H LEU 154 H LEU 154 128.765 7.001 2.940 560 HA LEU 154 HA LEU 154 127.254 7.741 0.691 561 1HB LEU 154 2HB LEU 154 127.698 8.795 3.413 562 2HB LEU 154 1HB LEU 154 127.143 9.967 2.233 563 HG LEU 154 HG LEU 154 125.313 8.919 3.546 564 1HD1 LEU 154 1HD1 LEU 154 124.799 9.882 1.406 565 2HD1 LEU 154 2HD1 LEU 154 123.888 8.383 1.591 566 3HD1 LEU 154 3HD1 LEU 154 125.329 8.420 0.575 567 1HD2 LEU 154 1HD2 LEU 154 126.119 6.710 3.879 568 2HD2 LEU 154 2HD2 LEU 154 126.276 6.436 2.144 569 3HD2 LEU 154 3HD2 LEU 154 124.677 6.583 2.873 570 H GLU 155 H GLU 155 129.990 9.421 2.243 571 HA GLU 155 HA GLU 155 130.201 11.492 0.371 572 1HB GLU 155 2HB GLU 155 131.966 10.319 2.448 573 2HB GLU 155 1HB GLU 155 132.743 11.306 1.218 574 1HG GLU 155 2HG GLU 155 130.335 12.336 2.646 575 2HG GLU 155 1HG GLU 155 131.916 12.385 3.426 576 H PHE 156 H PHE 156 131.739 8.306 0.490 577 HA PHE 156 HA PHE 156 133.467 8.629 -1.691 578 1HB PHE 156 2HB PHE 156 133.602 6.754 -0.085 579 2HB PHE 156 1HB PHE 156 132.113 6.092 -0.750 580 HD1 PHE 156 HD1 PHE 156 135.251 7.448 -2.251 581 HD2 PHE 156 HD2 PHE 156 132.513 4.201 -1.975 582 HE1 PHE 156 HE1 PHE 156 136.557 6.210 -3.931 583 HE2 PHE 156 HE2 PHE 156 133.813 2.958 -3.653 584 HZ PHE 156 HZ PHE 156 135.838 3.961 -4.633 585 H MET 157 H MET 157 130.125 7.461 -1.536 586 HA MET 157 HA MET 157 129.928 6.885 -4.314 587 1HB MET 157 2HB MET 157 128.344 6.478 -2.040 588 2HB MET 157 1HB MET 157 127.381 7.510 -3.088 589 1HG MET 157 2HG MET 157 126.727 5.501 -3.886 590 2HG MET 157 1HG MET 157 128.146 5.741 -4.905 591 1HE MET 157 1HE MET 157 129.211 3.042 -5.299 592 2HE MET 157 2HE MET 157 130.533 3.147 -4.135 593 3HE MET 157 3HE MET 157 130.025 4.583 -5.025 594 H LYS 158 H LYS 158 129.415 9.733 -2.365 595 HA LYS 158 HA LYS 158 128.030 11.196 -4.415 596 1HB LYS 158 2HB LYS 158 129.139 11.854 -1.711 597 2HB LYS 158 1HB LYS 158 128.691 13.158 -2.803 598 1HG LYS 158 2HG LYS 158 126.426 12.025 -2.988 599 2HG LYS 158 1HG LYS 158 126.930 11.040 -1.612 600 1HD LYS 158 2HD LYS 158 127.239 13.030 -0.261 601 2HD LYS 158 1HD LYS 158 126.848 14.056 -1.643 602 1HE LYS 158 2HE LYS 158 124.593 13.210 -1.696 603 2HE LYS 158 1HE LYS 158 124.966 12.033 -0.436 604 1HZ LYS 158 1HZ LYS 158 124.432 14.884 -0.214 605 2HZ LYS 158 2HZ LYS 158 125.636 14.274 0.804 606 3HZ LYS 158 3HZ LYS 158 124.075 13.627 0.861 607 H GLY 159 H GLY 159 129.923 10.440 -5.909 608 1HA GLY 159 2HA GLY 159 131.254 11.713 -7.448 609 2HA GLY 159 1HA GLY 159 131.751 12.738 -6.111 610 H VAL 160 H VAL 160 131.970 9.386 -7.272 611 HA VAL 160 HA VAL 160 134.246 8.776 -5.656 612 HB VAL 160 HB VAL 160 133.301 7.304 -8.118 613 1HG1 VAL 160 1HG1 VAL 160 135.598 6.933 -6.744 614 2HG1 VAL 160 2HG1 VAL 160 134.731 5.645 -7.582 615 3HG1 VAL 160 3HG1 VAL 160 134.509 5.873 -5.847 616 1HG2 VAL 160 1HG2 VAL 160 132.546 6.580 -5.309 617 2HG2 VAL 160 2HG2 VAL 160 131.802 6.077 -6.827 618 3HG2 VAL 160 3HG2 VAL 160 131.583 7.728 -6.242 619 H GLU 161 H GLU 161 133.857 9.176 -9.182 620 HA GLU 161 HA GLU 161 136.634 9.162 -9.724 621 1HB GLU 161 2HB GLU 161 134.403 10.352 -11.383 622 2HB GLU 161 1HB GLU 161 136.014 9.939 -11.954 623 1HG GLU 161 2HG GLU 161 135.585 7.702 -11.989 624 2HG GLU 161 1HG GLU 161 134.383 7.800 -10.702 Start of MODEL 10 1 1H MET 81 1HT MET 81 91.131 15.398 -2.641 2 2H MET 81 2HT MET 81 92.306 14.877 -1.503 3 3H MET 81 3HT MET 81 91.122 16.033 -1.050 4 HA MET 81 HA MET 81 90.395 14.088 -0.127 5 1HB MET 81 2HB MET 81 88.339 13.641 -1.364 6 2HB MET 81 1HB MET 81 88.701 15.361 -1.387 7 1HG MET 81 2HG MET 81 89.398 15.288 -3.634 8 2HG MET 81 1HG MET 81 89.464 13.526 -3.635 9 1HE MET 81 1HE MET 81 86.922 16.618 -4.431 10 2HE MET 81 2HE MET 81 86.515 15.548 -5.772 11 3HE MET 81 3HE MET 81 88.205 15.875 -5.385 12 H VAL 82 H VAL 82 91.679 13.610 -3.348 13 HA VAL 82 HA VAL 82 92.066 10.768 -2.713 14 HB VAL 82 HB VAL 82 91.697 10.245 -5.140 15 1HG1 VAL 82 1HG1 VAL 82 89.521 9.732 -4.752 16 2HG1 VAL 82 2HG1 VAL 82 89.123 11.354 -4.186 17 3HG1 VAL 82 3HG1 VAL 82 89.954 10.225 -3.116 18 1HG2 VAL 82 1HG2 VAL 82 91.904 12.306 -6.235 19 2HG2 VAL 82 2HG2 VAL 82 90.783 13.106 -5.131 20 3HG2 VAL 82 3HG2 VAL 82 90.179 11.942 -6.311 21 H ARG 83 H ARG 83 94.130 10.197 -2.849 22 HA ARG 83 HA ARG 83 96.347 10.195 -3.348 23 1HB ARG 83 2HB ARG 83 94.992 10.422 -5.782 24 2HB ARG 83 1HB ARG 83 96.260 11.637 -5.864 25 1HG ARG 83 2HG ARG 83 97.697 9.578 -4.941 26 2HG ARG 83 1HG ARG 83 96.450 8.693 -5.821 27 1HD ARG 83 2HD ARG 83 97.379 9.203 -7.775 28 2HD ARG 83 1HD ARG 83 97.386 10.921 -7.380 29 HE ARG 83 HE ARG 83 99.496 9.971 -5.989 30 1HH1 ARG 83 1HH1 ARG 83 98.532 9.683 -9.332 31 2HH1 ARG 83 2HH1 ARG 83 100.157 9.564 -9.919 32 1HH2 ARG 83 1HH2 ARG 83 101.632 9.815 -6.761 33 2HH2 ARG 83 2HH2 ARG 83 101.917 9.639 -8.460 34 H CYS 84 H CYS 84 96.916 11.641 -1.706 35 HA CYS 84 HA CYS 84 97.396 14.411 -2.594 36 1HB CYS 84 2HB CYS 84 95.770 13.974 -0.645 37 2HB CYS 84 1HB CYS 84 97.203 13.561 0.289 38 HG CYS 84 HG CYS 84 97.133 15.980 0.784 39 H MET 85 H MET 85 98.671 11.836 -0.491 40 HA MET 85 HA MET 85 101.378 12.656 -1.242 41 1HB MET 85 2HB MET 85 100.365 13.412 1.171 42 2HB MET 85 1HB MET 85 101.087 11.864 1.584 43 1HG MET 85 2HG MET 85 103.113 12.909 0.204 44 2HG MET 85 1HG MET 85 102.361 14.400 0.768 45 1HE MET 85 1HE MET 85 104.969 14.405 1.513 46 2HE MET 85 2HE MET 85 105.289 14.180 3.232 47 3HE MET 85 3HE MET 85 104.087 15.357 2.706 48 H LYS 86 H LYS 86 99.928 10.494 -2.233 49 HA LYS 86 HA LYS 86 100.977 8.148 -0.828 50 1HB LYS 86 2HB LYS 86 98.561 8.283 -1.591 51 2HB LYS 86 1HB LYS 86 99.164 8.174 -3.239 52 1HG LYS 86 2HG LYS 86 100.398 6.046 -2.180 53 2HG LYS 86 1HG LYS 86 98.966 6.103 -1.150 54 1HD LYS 86 2HD LYS 86 97.509 5.865 -2.984 55 2HD LYS 86 1HD LYS 86 98.782 6.240 -4.146 56 1HE LYS 86 2HE LYS 86 99.867 4.087 -2.973 57 2HE LYS 86 1HE LYS 86 98.159 3.706 -2.755 58 1HZ LYS 86 1HZ LYS 86 98.943 4.610 -5.404 59 2HZ LYS 86 2HZ LYS 86 97.858 3.395 -4.951 60 3HZ LYS 86 3HZ LYS 86 99.521 3.088 -4.943 61 H ASP 87 H ASP 87 102.711 9.976 -2.313 62 HA ASP 87 HA ASP 87 103.601 8.204 -4.489 63 1HB ASP 87 2HB ASP 87 104.906 10.251 -5.244 64 2HB ASP 87 1HB ASP 87 103.154 10.355 -5.390 65 H ASP 88 H ASP 88 104.154 7.784 -1.666 66 HA ASP 88 HA ASP 88 107.026 8.358 -1.504 67 1HB ASP 88 2HB ASP 88 105.343 8.857 0.407 68 2HB ASP 88 1HB ASP 88 105.403 7.121 0.703 69 H SER 89 H SER 89 107.444 6.734 -3.169 70 HA SER 89 HA SER 89 106.959 3.961 -2.498 71 1HB SER 89 2HB SER 89 108.629 5.067 -4.764 72 2HB SER 89 1HB SER 89 107.950 3.445 -4.633 73 HG SER 89 HG SER 89 105.926 4.267 -4.937 74 H LYS 90 H LYS 90 108.947 2.450 -2.876 75 HA LYS 90 HA LYS 90 111.007 3.347 -1.004 76 1HB LYS 90 2HB LYS 90 109.928 0.698 -1.835 77 2HB LYS 90 1HB LYS 90 111.601 0.768 -1.300 78 1HG LYS 90 2HG LYS 90 110.685 1.989 0.760 79 2HG LYS 90 1HG LYS 90 109.109 1.387 0.241 80 1HD LYS 90 2HD LYS 90 109.590 -0.743 0.817 81 2HD LYS 90 1HD LYS 90 111.274 -0.610 0.305 82 1HE LYS 90 2HE LYS 90 111.591 0.862 2.374 83 2HE LYS 90 1HE LYS 90 110.027 0.244 2.901 84 1HZ LYS 90 1HZ LYS 90 112.382 -1.440 2.236 85 2HZ LYS 90 2HZ LYS 90 110.896 -1.988 2.827 86 3HZ LYS 90 3HZ LYS 90 111.892 -1.032 3.804 87 H GLY 91 H GLY 91 111.145 4.436 -3.581 88 1HA GLY 91 2HA GLY 91 113.389 2.974 -4.815 89 2HA GLY 91 1HA GLY 91 112.370 4.143 -5.643 90 H LYS 92 H LYS 92 114.367 4.092 -2.686 91 HA LYS 92 HA LYS 92 115.023 6.808 -2.736 92 1HB LYS 92 2HB LYS 92 116.446 4.438 -1.527 93 2HB LYS 92 1HB LYS 92 116.975 6.096 -1.281 94 1HG LYS 92 2HG LYS 92 114.588 6.524 -0.446 95 2HG LYS 92 1HG LYS 92 114.465 4.767 -0.337 96 1HD LYS 92 2HD LYS 92 116.650 4.899 1.007 97 2HD LYS 92 1HD LYS 92 116.297 6.621 1.153 98 1HE LYS 92 2HE LYS 92 113.955 5.783 1.942 99 2HE LYS 92 1HE LYS 92 114.815 4.277 2.264 100 1HZ LYS 92 1HZ LYS 92 114.617 6.218 4.038 101 2HZ LYS 92 2HZ LYS 92 116.035 6.723 3.269 102 3HZ LYS 92 3HZ LYS 92 115.956 5.186 3.969 103 H THR 93 H THR 93 116.873 7.923 -3.407 104 HA THR 93 HA THR 93 118.246 6.676 -5.677 105 HB THR 93 HB THR 93 118.987 9.233 -5.890 106 HG1 THR 93 HG1 THR 93 117.651 10.602 -4.950 107 1HG2 THR 93 1HG2 THR 93 117.293 9.608 -7.464 108 2HG2 THR 93 2HG2 THR 93 116.180 8.509 -6.649 109 3HG2 THR 93 3HG2 THR 93 117.588 7.869 -7.496 110 H GLU 94 H GLU 94 119.251 9.253 -3.443 111 HA GLU 94 HA GLU 94 121.946 8.222 -3.425 112 1HB GLU 94 2HB GLU 94 120.605 10.638 -2.249 113 2HB GLU 94 1HB GLU 94 122.236 10.196 -1.767 114 1HG GLU 94 2HG GLU 94 123.062 10.484 -3.964 115 2HG GLU 94 1HG GLU 94 121.434 10.602 -4.633 116 H GLU 95 H GLU 95 119.406 8.779 -0.996 117 HA GLU 95 HA GLU 95 120.785 7.770 1.213 118 1HB GLU 95 2HB GLU 95 117.958 8.308 0.535 119 2HB GLU 95 1HB GLU 95 118.226 7.167 1.847 120 1HG GLU 95 2HG GLU 95 118.993 8.750 3.249 121 2HG GLU 95 1HG GLU 95 119.799 9.653 1.967 122 H GLU 96 H GLU 96 119.308 6.126 -1.442 123 HA GLU 96 HA GLU 96 118.773 3.641 -0.267 124 1HB GLU 96 2HB GLU 96 118.566 2.792 -2.447 125 2HB GLU 96 1HB GLU 96 118.120 4.485 -2.591 126 1HG GLU 96 2HG GLU 96 119.505 4.449 -4.344 127 2HG GLU 96 1HG GLU 96 120.759 4.636 -3.119 128 H LEU 97 H LEU 97 121.760 5.163 -0.957 129 HA LEU 97 HA LEU 97 123.498 3.122 -1.537 130 1HB LEU 97 2HB LEU 97 123.771 5.616 0.091 131 2HB LEU 97 1HB LEU 97 125.108 4.484 0.020 132 HG LEU 97 HG LEU 97 123.865 5.512 -2.508 133 1HD1 LEU 97 1HD1 LEU 97 125.894 6.905 -0.779 134 2HD1 LEU 97 2HD1 LEU 97 124.347 7.528 -1.351 135 3HD1 LEU 97 3HD1 LEU 97 125.665 7.260 -2.491 136 1HD2 LEU 97 1HD2 LEU 97 125.708 3.608 -2.112 137 2HD2 LEU 97 2HD2 LEU 97 126.760 5.022 -2.182 138 3HD2 LEU 97 3HD2 LEU 97 125.688 4.653 -3.533 139 H SER 98 H SER 98 121.845 3.742 1.461 140 HA SER 98 HA SER 98 123.450 2.279 3.224 141 1HB SER 98 2HB SER 98 121.046 1.901 4.335 142 2HB SER 98 1HB SER 98 121.868 3.459 4.391 143 HG SER 98 HG SER 98 119.581 2.726 3.071 144 H ASP 99 H ASP 99 121.051 1.254 0.895 145 HA ASP 99 HA ASP 99 120.817 -1.422 1.871 146 1HB ASP 99 2HB ASP 99 119.257 0.007 0.265 147 2HB ASP 99 1HB ASP 99 120.235 -0.761 -0.981 148 H LEU 100 H LEU 100 122.856 0.212 -0.465 149 HA LEU 100 HA LEU 100 123.944 -2.177 -1.600 150 1HB LEU 100 2HB LEU 100 124.803 0.709 -1.672 151 2HB LEU 100 1HB LEU 100 125.698 -0.563 -2.482 152 HG LEU 100 HG LEU 100 122.810 -0.402 -3.109 153 1HD1 LEU 100 1HD1 LEU 100 124.765 1.768 -3.737 154 2HD1 LEU 100 2HD1 LEU 100 123.071 1.886 -3.257 155 3HD1 LEU 100 3HD1 LEU 100 123.491 1.362 -4.886 156 1HD2 LEU 100 1HD2 LEU 100 125.115 -0.570 -5.011 157 2HD2 LEU 100 2HD2 LEU 100 123.479 -1.206 -5.183 158 3HD2 LEU 100 3HD2 LEU 100 124.613 -1.974 -4.071 159 H PHE 101 H PHE 101 124.725 -0.135 1.113 160 HA PHE 101 HA PHE 101 127.385 -1.039 1.505 161 1HB PHE 101 2HB PHE 101 126.601 1.046 2.495 162 2HB PHE 101 1HB PHE 101 125.415 0.170 3.457 163 HD1 PHE 101 HD1 PHE 101 128.926 1.074 3.099 164 HD2 PHE 101 HD2 PHE 101 126.105 -1.154 5.376 165 HE1 PHE 101 HE1 PHE 101 130.577 0.839 4.907 166 HE2 PHE 101 HE2 PHE 101 127.750 -1.393 7.189 167 HZ PHE 101 HZ PHE 101 129.990 -0.395 6.956 168 H ARG 102 H ARG 102 124.266 -2.316 2.355 169 HA ARG 102 HA ARG 102 125.028 -4.027 4.451 170 1HB ARG 102 2HB ARG 102 122.673 -3.397 3.729 171 2HB ARG 102 1HB ARG 102 122.842 -4.594 2.452 172 1HG ARG 102 2HG ARG 102 122.181 -6.166 3.859 173 2HG ARG 102 1HG ARG 102 123.595 -5.849 4.865 174 1HD ARG 102 2HD ARG 102 122.351 -4.096 6.044 175 2HD ARG 102 1HD ARG 102 120.938 -4.429 5.043 176 HE ARG 102 HE ARG 102 121.888 -6.749 6.424 177 1HH1 ARG 102 1HH1 ARG 102 119.940 -3.870 6.740 178 2HH1 ARG 102 2HH1 ARG 102 118.956 -4.525 8.006 179 1HH2 ARG 102 1HH2 ARG 102 120.595 -7.611 8.087 180 2HH2 ARG 102 2HH2 ARG 102 119.327 -6.649 8.772 181 H MET 103 H MET 103 124.574 -4.742 0.984 182 HA MET 103 HA MET 103 125.364 -7.402 1.039 183 1HB MET 103 2HB MET 103 126.026 -6.995 -1.390 184 2HB MET 103 1HB MET 103 124.364 -6.637 -0.947 185 1HG MET 103 2HG MET 103 124.807 -4.292 -0.908 186 2HG MET 103 1HG MET 103 126.535 -4.567 -1.115 187 1HE MET 103 1HE MET 103 126.981 -6.379 -3.980 188 2HE MET 103 2HE MET 103 127.691 -5.180 -2.898 189 3HE MET 103 3HE MET 103 127.271 -4.736 -4.552 190 H PHE 104 H PHE 104 127.333 -4.490 0.644 191 HA PHE 104 HA PHE 104 129.782 -5.693 0.093 192 1HB PHE 104 2HB PHE 104 128.897 -3.078 1.157 193 2HB PHE 104 1HB PHE 104 130.564 -3.523 1.513 194 HD1 PHE 104 HD1 PHE 104 128.319 -2.201 -0.916 195 HD2 PHE 104 HD2 PHE 104 132.052 -4.192 -0.447 196 HE1 PHE 104 HE1 PHE 104 128.988 -1.471 -3.168 197 HE2 PHE 104 HE2 PHE 104 132.726 -3.465 -2.699 198 HZ PHE 104 HZ PHE 104 131.194 -2.102 -4.062 199 H ASP 105 H ASP 105 128.072 -5.320 3.112 200 HA ASP 105 HA ASP 105 130.323 -6.052 4.749 201 1HB ASP 105 2HB ASP 105 127.711 -4.980 5.174 202 2HB ASP 105 1HB ASP 105 127.873 -6.435 6.152 203 H LYS 106 H LYS 106 130.536 -7.987 5.954 204 HA LYS 106 HA LYS 106 129.368 -10.306 4.596 205 1HB LYS 106 2HB LYS 106 131.960 -9.779 5.254 206 2HB LYS 106 1HB LYS 106 131.458 -10.753 6.627 207 1HG LYS 106 2HG LYS 106 132.420 -12.191 4.982 208 2HG LYS 106 1HG LYS 106 130.683 -12.496 5.041 209 1HD LYS 106 2HD LYS 106 130.687 -10.650 3.128 210 2HD LYS 106 1HD LYS 106 132.328 -11.255 2.902 211 1HE LYS 106 2HE LYS 106 131.229 -12.696 1.529 212 2HE LYS 106 1HE LYS 106 131.078 -13.591 3.041 213 1HZ LYS 106 1HZ LYS 106 129.043 -12.221 1.484 214 2HZ LYS 106 2HZ LYS 106 128.911 -12.062 3.163 215 3HZ LYS 106 3HZ LYS 106 128.918 -13.599 2.459 216 H ASN 107 H ASN 107 130.133 -9.229 7.908 217 HA ASN 107 HA ASN 107 128.164 -11.118 8.954 218 1HB ASN 107 2HB ASN 107 129.093 -10.383 11.188 219 2HB ASN 107 1HB ASN 107 130.239 -11.194 10.123 220 1HD2 ASN 107 1HD2 ASN 107 131.823 -10.160 11.511 221 2HD2 ASN 107 2HD2 ASN 107 132.303 -8.534 11.173 222 H ALA 108 H ALA 108 128.265 -7.922 7.964 223 HA ALA 108 HA ALA 108 126.816 -6.181 8.153 224 1HB ALA 108 1HB ALA 108 125.190 -8.498 9.020 225 2HB ALA 108 2HB ALA 108 124.909 -7.332 7.727 226 3HB ALA 108 3HB ALA 108 124.566 -6.892 9.401 227 H ASP 109 H ASP 109 128.790 -6.044 9.919 228 HA ASP 109 HA ASP 109 127.697 -5.674 12.594 229 1HB ASP 109 2HB ASP 109 130.086 -5.111 13.168 230 2HB ASP 109 1HB ASP 109 129.835 -6.738 12.543 231 H GLY 110 H GLY 110 128.520 -3.816 9.804 232 1HA GLY 110 2HA GLY 110 127.375 -1.583 9.836 233 2HA GLY 110 1HA GLY 110 128.186 -1.334 11.374 234 H TYR 111 H TYR 111 130.581 -2.809 10.142 235 HA TYR 111 HA TYR 111 131.538 -0.625 8.420 236 1HB TYR 111 2HB TYR 111 133.099 -1.941 10.654 237 2HB TYR 111 1HB TYR 111 133.724 -0.725 9.544 238 HD1 TYR 111 HD1 TYR 111 133.813 1.442 10.319 239 HD2 TYR 111 HD2 TYR 111 130.835 -1.165 11.882 240 HE1 TYR 111 HE1 TYR 111 133.062 3.221 11.840 241 HE2 TYR 111 HE2 TYR 111 130.075 0.609 13.406 242 HH TYR 111 HH TYR 111 130.141 3.027 13.598 243 H ILE 112 H ILE 112 133.490 -1.228 7.158 244 HA ILE 112 HA ILE 112 133.601 -4.114 6.589 245 HB ILE 112 HB ILE 112 133.705 -1.975 4.464 246 1HG1 ILE 112 2HG1 ILE 112 131.412 -3.872 4.938 247 2HG1 ILE 112 1HG1 ILE 112 131.460 -2.275 5.675 248 1HG2 ILE 112 1HG2 ILE 112 134.051 -4.900 4.516 249 2HG2 ILE 112 2HG2 ILE 112 134.721 -3.694 3.417 250 3HG2 ILE 112 3HG2 ILE 112 133.066 -4.265 3.199 251 1HD1 ILE 112 1HD1 ILE 112 131.904 -2.400 2.761 252 2HD1 ILE 112 2HD1 ILE 112 131.024 -1.219 3.730 253 3HD1 ILE 112 3HD1 ILE 112 130.280 -2.768 3.341 254 H ASP 113 H ASP 113 135.592 -4.932 5.974 255 HA ASP 113 HA ASP 113 137.854 -3.057 5.951 256 1HB ASP 113 2HB ASP 113 139.161 -4.682 7.310 257 2HB ASP 113 1HB ASP 113 137.798 -3.994 8.186 258 H LEU 114 H LEU 114 139.936 -4.412 5.348 259 HA LEU 114 HA LEU 114 139.628 -5.246 2.701 260 1HB LEU 114 2HB LEU 114 141.732 -4.437 3.915 261 2HB LEU 114 1HB LEU 114 141.910 -6.092 4.467 262 HG LEU 114 HG LEU 114 141.620 -5.582 1.540 263 1HD1 LEU 114 1HD1 LEU 114 143.288 -3.980 2.060 264 2HD1 LEU 114 2HD1 LEU 114 144.126 -5.403 1.440 265 3HD1 LEU 114 3HD1 LEU 114 144.095 -5.083 3.176 266 1HD2 LEU 114 1HD2 LEU 114 141.630 -7.870 2.365 267 2HD2 LEU 114 2HD2 LEU 114 143.167 -7.585 3.182 268 3HD2 LEU 114 3HD2 LEU 114 143.083 -7.544 1.420 269 H GLU 115 H GLU 115 140.039 -7.161 5.663 270 HA GLU 115 HA GLU 115 140.060 -9.686 4.424 271 1HB GLU 115 2HB GLU 115 140.558 -8.897 6.911 272 2HB GLU 115 1HB GLU 115 138.882 -9.374 7.146 273 1HG GLU 115 2HG GLU 115 140.202 -11.238 7.721 274 2HG GLU 115 1HG GLU 115 139.484 -11.599 6.152 275 H GLU 116 H GLU 116 137.395 -7.959 6.045 276 HA GLU 116 HA GLU 116 135.407 -9.851 5.446 277 1HB GLU 116 2HB GLU 116 135.490 -7.635 6.984 278 2HB GLU 116 1HB GLU 116 134.594 -7.008 5.608 279 1HG GLU 116 2HG GLU 116 132.743 -8.106 6.170 280 2HG GLU 116 1HG GLU 116 133.622 -9.597 6.508 281 H LEU 117 H LEU 117 136.744 -7.204 3.604 282 HA LEU 117 HA LEU 117 134.676 -7.234 1.605 283 1HB LEU 117 2HB LEU 117 136.121 -5.245 2.238 284 2HB LEU 117 1HB LEU 117 137.422 -6.022 1.355 285 HG LEU 117 HG LEU 117 135.935 -5.992 -0.680 286 1HD1 LEU 117 1HD1 LEU 117 134.004 -4.616 -0.725 287 2HD1 LEU 117 2HD1 LEU 117 134.308 -4.020 0.907 288 3HD1 LEU 117 3HD1 LEU 117 133.827 -5.698 0.657 289 1HD2 LEU 117 1HD2 LEU 117 136.551 -3.808 -1.271 290 2HD2 LEU 117 2HD2 LEU 117 137.752 -4.306 -0.081 291 3HD2 LEU 117 3HD2 LEU 117 136.435 -3.233 0.391 292 H LYS 118 H LYS 118 137.777 -8.762 2.082 293 HA LYS 118 HA LYS 118 138.187 -9.599 -0.597 294 1HB LYS 118 2HB LYS 118 139.551 -9.817 1.884 295 2HB LYS 118 1HB LYS 118 139.376 -11.443 1.242 296 1HG LYS 118 2HG LYS 118 140.176 -9.838 -0.916 297 2HG LYS 118 1HG LYS 118 141.179 -9.363 0.455 298 1HD LYS 118 2HD LYS 118 140.783 -12.266 0.024 299 2HD LYS 118 1HD LYS 118 141.789 -11.415 -1.151 300 1HE LYS 118 2HE LYS 118 143.384 -10.857 0.422 301 2HE LYS 118 1HE LYS 118 142.254 -10.992 1.768 302 1HZ LYS 118 1HZ LYS 118 142.268 -13.499 0.914 303 2HZ LYS 118 2HZ LYS 118 143.355 -12.920 2.074 304 3HZ LYS 118 3HZ LYS 118 143.835 -13.052 0.457 305 H ILE 119 H ILE 119 136.379 -10.899 2.092 306 HA ILE 119 HA ILE 119 136.035 -13.524 1.080 307 HB ILE 119 HB ILE 119 134.168 -12.033 2.926 308 1HG1 ILE 119 2HG1 ILE 119 136.252 -13.906 3.946 309 2HG1 ILE 119 1HG1 ILE 119 136.768 -12.293 3.465 310 1HG2 ILE 119 1HG2 ILE 119 134.691 -14.992 2.725 311 2HG2 ILE 119 2HG2 ILE 119 133.364 -14.174 1.902 312 3HG2 ILE 119 3HG2 ILE 119 133.440 -14.180 3.665 313 1HD1 ILE 119 1HD1 ILE 119 134.662 -11.651 4.987 314 2HD1 ILE 119 2HD1 ILE 119 136.299 -11.836 5.616 315 3HD1 ILE 119 3HD1 ILE 119 135.142 -13.160 5.760 316 H MET 120 H MET 120 133.969 -10.629 0.961 317 HA MET 120 HA MET 120 131.837 -11.770 -0.444 318 1HB MET 120 2HB MET 120 131.204 -9.477 -1.018 319 2HB MET 120 1HB MET 120 131.686 -9.595 0.669 320 1HG MET 120 2HG MET 120 133.558 -8.338 0.370 321 2HG MET 120 1HG MET 120 133.756 -8.829 -1.311 322 1HE MET 120 1HE MET 120 131.099 -6.942 -3.175 323 2HE MET 120 2HE MET 120 132.129 -8.367 -3.034 324 3HE MET 120 3HE MET 120 132.842 -6.797 -3.403 325 H LEU 121 H LEU 121 134.937 -10.610 -1.529 326 HA LEU 121 HA LEU 121 134.265 -10.422 -4.294 327 1HB LEU 121 2HB LEU 121 136.660 -10.149 -2.636 328 2HB LEU 121 1HB LEU 121 136.985 -10.841 -4.215 329 HG LEU 121 HG LEU 121 137.259 -8.375 -4.129 330 1HD1 LEU 121 1HD1 LEU 121 136.537 -9.761 -6.178 331 2HD1 LEU 121 2HD1 LEU 121 136.372 -8.005 -6.241 332 3HD1 LEU 121 3HD1 LEU 121 134.959 -9.014 -5.933 333 1HD2 LEU 121 1HD2 LEU 121 135.360 -6.933 -3.926 334 2HD2 LEU 121 2HD2 LEU 121 135.398 -7.988 -2.515 335 3HD2 LEU 121 3HD2 LEU 121 134.261 -8.309 -3.823 336 H GLN 122 H GLN 122 135.340 -12.986 -2.191 337 HA GLN 122 HA GLN 122 136.316 -14.806 -4.065 338 1HB GLN 122 2HB GLN 122 134.866 -15.286 -1.458 339 2HB GLN 122 1HB GLN 122 135.665 -16.551 -2.384 340 1HG GLN 122 2HG GLN 122 137.791 -15.277 -2.162 341 2HG GLN 122 1HG GLN 122 136.950 -14.159 -1.089 342 1HE2 GLN 122 1HE2 GLN 122 138.073 -17.445 -1.493 343 2HE2 GLN 122 2HE2 GLN 122 138.044 -17.867 0.183 344 H ALA 123 H ALA 123 133.045 -13.932 -3.223 345 HA ALA 123 HA ALA 123 131.666 -16.121 -4.281 346 1HB ALA 123 1HB ALA 123 130.531 -13.376 -4.533 347 2HB ALA 123 2HB ALA 123 130.845 -14.034 -2.928 348 3HB ALA 123 3HB ALA 123 129.752 -14.875 -4.028 349 H THR 124 H THR 124 133.102 -13.335 -5.839 350 HA THR 124 HA THR 124 131.813 -13.579 -8.339 351 HB THR 124 HB THR 124 133.497 -12.088 -9.181 352 HG1 THR 124 HG1 THR 124 135.385 -11.675 -8.010 353 1HG2 THR 124 1HG2 THR 124 132.770 -10.363 -8.012 354 2HG2 THR 124 2HG2 THR 124 133.685 -10.876 -6.594 355 3HG2 THR 124 3HG2 THR 124 132.058 -11.498 -6.866 356 H GLY 125 H GLY 125 132.962 -14.149 -10.391 357 1HA GLY 125 2HA GLY 125 134.017 -16.821 -10.148 358 2HA GLY 125 1HA GLY 125 133.680 -15.964 -11.644 359 H GLU 126 H GLU 126 135.254 -13.705 -11.313 360 HA GLU 126 HA GLU 126 137.808 -14.726 -12.034 361 1HB GLU 126 2HB GLU 126 138.465 -12.389 -12.268 362 2HB GLU 126 1HB GLU 126 136.895 -12.668 -13.010 363 1HG GLU 126 2HG GLU 126 135.826 -11.770 -10.966 364 2HG GLU 126 1HG GLU 126 137.430 -11.381 -10.346 365 H THR 127 H THR 127 139.827 -14.349 -11.000 366 HA THR 127 HA THR 127 139.604 -14.354 -8.082 367 HB THR 127 HB THR 127 141.975 -15.180 -8.178 368 HG1 THR 127 HG1 THR 127 142.428 -14.311 -10.276 369 1HG2 THR 127 1HG2 THR 127 140.747 -17.129 -9.928 370 2HG2 THR 127 2HG2 THR 127 139.667 -16.611 -8.634 371 3HG2 THR 127 3HG2 THR 127 141.255 -17.274 -8.246 372 H ILE 128 H ILE 128 139.622 -12.314 -7.329 373 HA ILE 128 HA ILE 128 141.357 -10.305 -8.496 374 HB ILE 128 HB ILE 128 139.619 -10.030 -6.047 375 1HG1 ILE 128 2HG1 ILE 128 138.231 -10.763 -7.910 376 2HG1 ILE 128 1HG1 ILE 128 137.924 -9.064 -7.570 377 1HG2 ILE 128 1HG2 ILE 128 140.809 -8.118 -5.970 378 2HG2 ILE 128 2HG2 ILE 128 139.668 -7.604 -7.213 379 3HG2 ILE 128 3HG2 ILE 128 141.262 -8.207 -7.672 380 1HD1 ILE 128 1HD1 ILE 128 139.276 -10.316 -9.904 381 2HD1 ILE 128 2HD1 ILE 128 139.707 -8.673 -9.433 382 3HD1 ILE 128 3HD1 ILE 128 138.040 -9.061 -9.855 383 H THR 129 H THR 129 143.046 -9.258 -7.436 384 HA THR 129 HA THR 129 144.341 -10.866 -5.374 385 HB THR 129 HB THR 129 146.287 -9.297 -5.837 386 HG1 THR 129 HG1 THR 129 146.129 -8.080 -7.737 387 1HG2 THR 129 1HG2 THR 129 146.829 -11.111 -7.010 388 2HG2 THR 129 2HG2 THR 129 146.300 -10.178 -8.410 389 3HG2 THR 129 3HG2 THR 129 145.195 -11.314 -7.638 390 H GLU 130 H GLU 130 145.535 -9.648 -3.633 391 HA GLU 130 HA GLU 130 143.681 -8.109 -2.137 392 1HB GLU 130 2HB GLU 130 145.845 -9.610 -1.492 393 2HB GLU 130 1HB GLU 130 146.528 -7.997 -1.349 394 1HG GLU 130 2HG GLU 130 144.949 -7.377 0.304 395 2HG GLU 130 1HG GLU 130 143.981 -8.820 0.012 396 H ASP 131 H ASP 131 146.367 -7.307 -4.220 397 HA ASP 131 HA ASP 131 146.741 -4.636 -3.397 398 1HB ASP 131 2HB ASP 131 148.051 -6.283 -5.101 399 2HB ASP 131 1HB ASP 131 147.196 -5.261 -6.253 400 H ASP 132 H ASP 132 144.564 -6.132 -5.719 401 HA ASP 132 HA ASP 132 143.634 -3.717 -6.885 402 1HB ASP 132 2HB ASP 132 142.807 -6.570 -6.913 403 2HB ASP 132 1HB ASP 132 141.579 -5.383 -7.345 404 H ILE 133 H ILE 133 142.530 -5.703 -4.184 405 HA ILE 133 HA ILE 133 140.150 -4.187 -3.725 406 HB ILE 133 HB ILE 133 141.572 -5.973 -1.752 407 1HG1 ILE 133 2HG1 ILE 133 141.196 -7.159 -3.881 408 2HG1 ILE 133 1HG1 ILE 133 140.176 -7.797 -2.595 409 1HG2 ILE 133 1HG2 ILE 133 138.998 -6.303 -1.203 410 2HG2 ILE 133 2HG2 ILE 133 138.906 -4.682 -1.891 411 3HG2 ILE 133 3HG2 ILE 133 139.945 -4.994 -0.500 412 1HD1 ILE 133 1HD1 ILE 133 138.257 -6.714 -3.476 413 2HD1 ILE 133 2HD1 ILE 133 139.063 -7.536 -4.812 414 3HD1 ILE 133 3HD1 ILE 133 139.230 -5.791 -4.621 415 H GLU 134 H GLU 134 143.461 -3.989 -2.648 416 HA GLU 134 HA GLU 134 143.143 -2.411 -0.363 417 1HB GLU 134 2HB GLU 134 145.314 -3.177 -2.137 418 2HB GLU 134 1HB GLU 134 145.511 -1.534 -1.541 419 1HG GLU 134 2HG GLU 134 144.986 -2.616 0.772 420 2HG GLU 134 1HG GLU 134 145.471 -4.105 -0.038 421 H GLU 135 H GLU 135 143.053 -1.586 -3.755 422 HA GLU 135 HA GLU 135 143.315 1.228 -3.421 423 1HB GLU 135 2HB GLU 135 142.457 -0.577 -5.644 424 2HB GLU 135 1HB GLU 135 142.126 1.144 -5.770 425 1HG GLU 135 2HG GLU 135 144.546 1.573 -5.403 426 2HG GLU 135 1HG GLU 135 144.815 -0.167 -5.461 427 H LEU 136 H LEU 136 140.622 -1.009 -3.397 428 HA LEU 136 HA LEU 136 138.554 0.913 -3.620 429 1HB LEU 136 2HB LEU 136 138.677 -1.821 -3.606 430 2HB LEU 136 1HB LEU 136 137.948 -1.492 -2.046 431 HG LEU 136 HG LEU 136 136.863 -0.354 -4.615 432 1HD1 LEU 136 1HD1 LEU 136 136.923 -2.883 -4.557 433 2HD1 LEU 136 2HD1 LEU 136 135.336 -2.142 -4.768 434 3HD1 LEU 136 3HD1 LEU 136 135.810 -2.782 -3.194 435 1HD2 LEU 136 1HD2 LEU 136 136.126 0.850 -2.692 436 2HD2 LEU 136 2HD2 LEU 136 135.775 -0.643 -1.822 437 3HD2 LEU 136 3HD2 LEU 136 134.798 -0.186 -3.217 438 H MET 137 H MET 137 140.416 -0.321 -0.928 439 HA MET 137 HA MET 137 138.724 0.998 1.029 440 1HB MET 137 2HB MET 137 140.076 -1.265 1.243 441 2HB MET 137 1HB MET 137 141.374 -0.183 1.731 442 1HG MET 137 2HG MET 137 140.541 -0.061 3.770 443 2HG MET 137 1HG MET 137 139.018 0.558 3.134 444 1HE MET 137 1HE MET 137 136.594 -2.110 3.141 445 2HE MET 137 2HE MET 137 137.088 -0.450 2.813 446 3HE MET 137 3HE MET 137 136.867 -0.991 4.476 447 H LYS 138 H LYS 138 141.786 1.477 -0.586 448 HA LYS 138 HA LYS 138 142.883 3.439 1.087 449 1HB LYS 138 2HB LYS 138 143.843 2.162 -1.018 450 2HB LYS 138 1HB LYS 138 143.280 3.592 -1.871 451 1HG LYS 138 2HG LYS 138 144.606 4.910 -0.106 452 2HG LYS 138 1HG LYS 138 145.394 3.369 0.233 453 1HD LYS 138 2HD LYS 138 146.409 3.282 -1.833 454 2HD LYS 138 1HD LYS 138 145.194 4.312 -2.591 455 1HE LYS 138 2HE LYS 138 146.083 6.255 -1.466 456 2HE LYS 138 1HE LYS 138 147.225 5.254 -0.571 457 1HZ LYS 138 1HZ LYS 138 148.069 4.580 -2.869 458 2HZ LYS 138 2HZ LYS 138 148.469 6.125 -2.309 459 3HZ LYS 138 3HZ LYS 138 147.230 5.934 -3.444 460 H ASP 139 H ASP 139 140.835 3.769 -1.802 461 HA ASP 139 HA ASP 139 140.630 6.628 -1.429 462 1HB ASP 139 2HB ASP 139 139.417 6.663 -3.483 463 2HB ASP 139 1HB ASP 139 140.734 5.514 -3.687 464 H GLY 140 H GLY 140 138.945 3.856 -0.361 465 1HA GLY 140 2HA GLY 140 136.381 5.145 -0.054 466 2HA GLY 140 1HA GLY 140 136.833 3.559 0.552 467 H ASP 141 H ASP 141 139.242 4.719 1.884 468 HA ASP 141 HA ASP 141 137.878 5.538 4.320 469 1HB ASP 141 2HB ASP 141 139.787 3.786 4.132 470 2HB ASP 141 1HB ASP 141 140.852 5.188 4.057 471 H LYS 142 H LYS 142 137.758 7.569 5.013 472 HA LYS 142 HA LYS 142 139.489 9.579 3.734 473 1HB LYS 142 2HB LYS 142 136.755 9.974 4.965 474 2HB LYS 142 1HB LYS 142 137.718 11.210 4.166 475 1HG LYS 142 2HG LYS 142 136.661 8.728 2.829 476 2HG LYS 142 1HG LYS 142 135.903 10.319 2.755 477 1HD LYS 142 2HD LYS 142 138.736 10.354 2.052 478 2HD LYS 142 1HD LYS 142 137.765 9.341 0.982 479 1HE LYS 142 2HE LYS 142 137.813 11.545 0.061 480 2HE LYS 142 1HE LYS 142 136.197 11.263 0.708 481 1HZ LYS 142 1HZ LYS 142 138.107 12.491 2.523 482 2HZ LYS 142 2HZ LYS 142 136.464 12.820 2.296 483 3HZ LYS 142 3HZ LYS 142 137.608 13.447 1.219 484 H ASN 143 H ASN 143 138.190 8.390 6.762 485 HA ASN 143 HA ASN 143 139.524 10.458 8.304 486 1HB ASN 143 2HB ASN 143 138.576 9.213 10.264 487 2HB ASN 143 1HB ASN 143 137.370 9.776 9.113 488 1HD2 ASN 143 1HD2 ASN 143 136.009 8.167 10.111 489 2HD2 ASN 143 2HD2 ASN 143 136.110 6.524 9.588 490 H ASN 144 H ASN 144 140.353 7.470 6.977 491 HA ASN 144 HA ASN 144 142.207 6.167 7.145 492 1HB ASN 144 2HB ASN 144 143.281 8.497 7.403 493 2HB ASN 144 1HB ASN 144 143.368 8.121 9.120 494 1HD2 ASN 144 1HD2 ASN 144 144.065 6.531 6.022 495 2HD2 ASN 144 2HD2 ASN 144 145.593 5.888 6.503 496 H ASP 145 H ASP 145 140.319 5.067 8.454 497 HA ASP 145 HA ASP 145 141.268 4.533 11.188 498 1HB ASP 145 2HB ASP 145 138.996 3.719 11.660 499 2HB ASP 145 1HB ASP 145 138.973 5.384 11.084 500 H GLY 146 H GLY 146 140.538 3.119 8.091 501 1HA GLY 146 2HA GLY 146 141.847 1.114 7.531 502 2HA GLY 146 1HA GLY 146 141.458 0.513 9.136 503 H ARG 147 H ARG 147 138.660 1.600 8.804 504 HA ARG 147 HA ARG 147 137.648 -0.402 6.899 505 1HB ARG 147 2HB ARG 147 135.700 -0.618 8.600 506 2HB ARG 147 1HB ARG 147 137.206 -1.471 8.916 507 1HG ARG 147 2HG ARG 147 137.892 0.296 10.452 508 2HG ARG 147 1HG ARG 147 136.390 1.163 10.127 509 1HD ARG 147 2HD ARG 147 136.247 -0.088 12.216 510 2HD ARG 147 1HD ARG 147 135.106 -0.708 11.024 511 HE ARG 147 HE ARG 147 137.366 -2.246 10.744 512 1HH1 ARG 147 1HH1 ARG 147 135.136 -1.512 13.327 513 2HH1 ARG 147 2HH1 ARG 147 135.346 -3.043 14.111 514 1HH2 ARG 147 1HH2 ARG 147 137.644 -4.258 11.774 515 2HH2 ARG 147 2HH2 ARG 147 136.771 -4.601 13.230 516 H ILE 148 H ILE 148 135.288 -0.019 6.375 517 HA ILE 148 HA ILE 148 134.778 2.881 6.189 518 HB ILE 148 HB ILE 148 133.879 0.795 4.200 519 1HG1 ILE 148 2HG1 ILE 148 136.189 2.741 3.995 520 2HG1 ILE 148 1HG1 ILE 148 136.344 1.002 4.227 521 1HG2 ILE 148 1HG2 ILE 148 133.967 3.799 3.961 522 2HG2 ILE 148 2HG2 ILE 148 132.527 2.874 4.389 523 3HG2 ILE 148 3HG2 ILE 148 133.279 2.655 2.808 524 1HD1 ILE 148 1HD1 ILE 148 136.721 1.349 1.952 525 2HD1 ILE 148 2HD1 ILE 148 135.381 2.489 1.813 526 3HD1 ILE 148 3HD1 ILE 148 135.058 0.770 2.043 527 H ASP 149 H ASP 149 132.672 3.615 6.451 528 HA ASP 149 HA ASP 149 130.664 1.637 7.279 529 1HB ASP 149 2HB ASP 149 130.004 3.053 9.169 530 2HB ASP 149 1HB ASP 149 131.686 2.554 9.317 531 H TYR 150 H TYR 150 128.552 3.175 7.828 532 HA TYR 150 HA TYR 150 127.562 3.917 5.329 533 1HB TYR 150 2HB TYR 150 126.199 3.314 7.349 534 2HB TYR 150 1HB TYR 150 126.548 4.913 7.998 535 HD1 TYR 150 HD1 TYR 150 125.561 3.719 4.595 536 HD2 TYR 150 HD2 TYR 150 124.642 6.211 7.918 537 HE1 TYR 150 HE1 TYR 150 123.632 4.630 3.371 538 HE2 TYR 150 HE2 TYR 150 122.711 7.129 6.704 539 HH TYR 150 HH TYR 150 121.211 6.468 4.863 540 H ASP 151 H ASP 151 128.871 5.922 7.945 541 HA ASP 151 HA ASP 151 128.350 8.427 6.817 542 1HB ASP 151 2HB ASP 151 130.712 7.677 8.552 543 2HB ASP 151 1HB ASP 151 130.049 9.293 8.325 544 H GLU 152 H GLU 152 131.253 6.386 6.567 545 HA GLU 152 HA GLU 152 132.635 8.167 4.834 546 1HB GLU 152 2HB GLU 152 133.051 5.214 5.335 547 2HB GLU 152 1HB GLU 152 134.171 6.258 4.470 548 1HG GLU 152 2HG GLU 152 134.223 7.661 6.604 549 2HG GLU 152 1HG GLU 152 133.465 6.272 7.380 550 H PHE 153 H PHE 153 130.620 5.311 4.314 551 HA PHE 153 HA PHE 153 131.068 4.995 1.569 552 1HB PHE 153 2HB PHE 153 129.742 3.531 3.320 553 2HB PHE 153 1HB PHE 153 128.363 4.446 2.719 554 HD1 PHE 153 HD1 PHE 153 131.332 2.688 1.285 555 HD2 PHE 153 HD2 PHE 153 127.147 3.424 1.078 556 HE1 PHE 153 HE1 PHE 153 131.163 1.158 -0.635 557 HE2 PHE 153 HE2 PHE 153 126.968 1.896 -0.842 558 HZ PHE 153 HZ PHE 153 128.979 0.760 -1.702 559 H LEU 154 H LEU 154 128.735 6.992 3.319 560 HA LEU 154 HA LEU 154 127.317 7.891 1.044 561 1HB LEU 154 2HB LEU 154 127.215 8.276 3.848 562 2HB LEU 154 1HB LEU 154 127.309 9.867 3.119 563 HG LEU 154 HG LEU 154 124.989 9.155 3.499 564 1HD1 LEU 154 1HD1 LEU 154 125.187 10.716 1.777 565 2HD1 LEU 154 2HD1 LEU 154 124.230 9.418 1.066 566 3HD1 LEU 154 3HD1 LEU 154 125.947 9.557 0.687 567 1HD2 LEU 154 1HD2 LEU 154 125.600 6.693 3.051 568 2HD2 LEU 154 2HD2 LEU 154 125.336 7.094 1.354 569 3HD2 LEU 154 3HD2 LEU 154 124.025 7.280 2.519 570 H GLU 155 H GLU 155 130.161 9.089 2.739 571 HA GLU 155 HA GLU 155 130.319 11.506 1.190 572 1HB GLU 155 2HB GLU 155 132.343 10.188 3.009 573 2HB GLU 155 1HB GLU 155 132.510 11.793 2.311 574 1HG GLU 155 2HG GLU 155 130.079 11.187 3.908 575 2HG GLU 155 1HG GLU 155 131.608 11.441 4.750 576 H PHE 156 H PHE 156 131.816 8.321 1.119 577 HA PHE 156 HA PHE 156 133.792 8.886 -0.814 578 1HB PHE 156 2HB PHE 156 133.876 6.887 0.596 579 2HB PHE 156 1HB PHE 156 132.416 6.269 -0.171 580 HD1 PHE 156 HD1 PHE 156 132.758 4.590 -1.679 581 HD2 PHE 156 HD2 PHE 156 135.723 7.616 -1.278 582 HE1 PHE 156 HE1 PHE 156 134.129 3.467 -3.385 583 HE2 PHE 156 HE2 PHE 156 137.098 6.498 -2.986 584 HZ PHE 156 HZ PHE 156 136.299 4.421 -4.042 585 H MET 157 H MET 157 130.520 7.529 -1.116 586 HA MET 157 HA MET 157 130.609 7.263 -3.936 587 1HB MET 157 2HB MET 157 128.826 6.582 -1.885 588 2HB MET 157 1HB MET 157 127.928 7.683 -2.922 589 1HG MET 157 2HG MET 157 127.441 5.756 -3.986 590 2HG MET 157 1HG MET 157 128.958 6.120 -4.807 591 1HE MET 157 1HE MET 157 129.150 4.097 -5.666 592 2HE MET 157 2HE MET 157 129.129 2.520 -4.879 593 3HE MET 157 3HE MET 157 130.633 3.435 -4.979 594 H LYS 158 H LYS 158 129.511 9.822 -1.773 595 HA LYS 158 HA LYS 158 128.422 11.452 -3.854 596 1HB LYS 158 2HB LYS 158 127.857 11.490 -1.342 597 2HB LYS 158 1HB LYS 158 129.315 12.457 -1.163 598 1HG LYS 158 2HG LYS 158 128.188 13.880 -3.076 599 2HG LYS 158 1HG LYS 158 126.720 13.146 -2.428 600 1HD LYS 158 2HD LYS 158 127.530 13.919 -0.143 601 2HD LYS 158 1HD LYS 158 128.714 14.898 -1.012 602 1HE LYS 158 2HE LYS 158 127.095 16.459 -0.954 603 2HE LYS 158 1HE LYS 158 126.454 15.566 -2.332 604 1HZ LYS 158 1HZ LYS 158 125.032 16.118 -0.162 605 2HZ LYS 158 2HZ LYS 158 125.650 14.611 0.291 606 3HZ LYS 158 3HZ LYS 158 124.747 14.760 -1.132 607 H GLY 159 H GLY 159 130.538 11.033 -5.121 608 1HA GLY 159 2HA GLY 159 131.992 12.570 -6.250 609 2HA GLY 159 1HA GLY 159 132.237 13.403 -4.722 610 H VAL 160 H VAL 160 133.164 10.705 -6.709 611 HA VAL 160 HA VAL 160 135.131 9.808 -4.743 612 HB VAL 160 HB VAL 160 134.661 8.630 -7.478 613 1HG1 VAL 160 1HG1 VAL 160 136.214 7.888 -5.072 614 2HG1 VAL 160 2HG1 VAL 160 136.562 7.613 -6.780 615 3HG1 VAL 160 3HG1 VAL 160 135.405 6.581 -5.938 616 1HG2 VAL 160 1HG2 VAL 160 132.567 8.744 -6.065 617 2HG2 VAL 160 2HG2 VAL 160 133.382 7.666 -4.931 618 3HG2 VAL 160 3HG2 VAL 160 133.063 7.132 -6.582 619 H GLU 161 H GLU 161 135.638 12.353 -5.692 620 HA GLU 161 HA GLU 161 137.848 11.976 -7.597 621 1HB GLU 161 2HB GLU 161 136.475 14.553 -6.812 622 2HB GLU 161 1HB GLU 161 137.688 14.355 -8.070 623 1HG GLU 161 2HG GLU 161 135.792 12.559 -8.840 624 2HG GLU 161 1HG GLU 161 134.814 13.838 -8.124 Start of MODEL 11 1 1H MET 81 1HT MET 81 89.933 11.437 -4.054 2 2H MET 81 2HT MET 81 89.975 10.967 -2.405 3 3H MET 81 3HT MET 81 88.505 10.877 -3.287 4 HA MET 81 HA MET 81 89.738 8.757 -2.885 5 1HB MET 81 2HB MET 81 88.819 9.783 -5.562 6 2HB MET 81 1HB MET 81 89.309 8.108 -5.345 7 1HG MET 81 2HG MET 81 87.526 7.632 -3.944 8 2HG MET 81 1HG MET 81 87.247 9.330 -3.560 9 1HE MET 81 1HE MET 81 84.292 7.895 -4.600 10 2HE MET 81 2HE MET 81 85.640 6.770 -4.434 11 3HE MET 81 3HE MET 81 84.777 6.893 -5.967 12 H VAL 82 H VAL 82 91.867 10.777 -3.002 13 HA VAL 82 HA VAL 82 93.864 9.127 -4.316 14 HB VAL 82 HB VAL 82 93.709 12.069 -4.976 15 1HG1 VAL 82 1HG1 VAL 82 95.546 9.830 -5.734 16 2HG1 VAL 82 2HG1 VAL 82 95.938 11.452 -5.160 17 3HG1 VAL 82 3HG1 VAL 82 95.333 11.219 -6.800 18 1HG2 VAL 82 1HG2 VAL 82 92.817 9.671 -6.563 19 2HG2 VAL 82 2HG2 VAL 82 93.136 11.248 -7.286 20 3HG2 VAL 82 3HG2 VAL 82 91.859 11.072 -6.082 21 H ARG 83 H ARG 83 93.386 12.281 -2.721 22 HA ARG 83 HA ARG 83 94.471 13.296 -0.998 23 1HB ARG 83 2HB ARG 83 94.012 10.736 -0.170 24 2HB ARG 83 1HB ARG 83 95.755 10.855 0.031 25 1HG ARG 83 2HG ARG 83 95.063 11.574 2.077 26 2HG ARG 83 1HG ARG 83 95.132 13.115 1.219 27 1HD ARG 83 2HD ARG 83 92.811 13.213 0.969 28 2HD ARG 83 1HD ARG 83 92.613 11.492 1.300 29 HE ARG 83 HE ARG 83 93.621 12.442 3.617 30 1HH1 ARG 83 1HH1 ARG 83 90.934 13.424 1.616 31 2HH1 ARG 83 2HH1 ARG 83 90.006 14.032 2.946 32 1HH2 ARG 83 1HH2 ARG 83 92.401 13.243 5.365 33 2HH2 ARG 83 2HH2 ARG 83 90.837 13.930 5.073 34 H CYS 84 H CYS 84 96.865 12.925 0.252 35 HA CYS 84 HA CYS 84 98.713 13.632 -1.847 36 1HB CYS 84 2HB CYS 84 98.584 14.816 0.371 37 2HB CYS 84 1HB CYS 84 99.272 13.374 1.112 38 HG CYS 84 HG CYS 84 100.812 15.501 -0.390 39 H MET 85 H MET 85 100.053 12.283 -2.835 40 HA MET 85 HA MET 85 101.059 9.938 -1.408 41 1HB MET 85 2HB MET 85 100.625 8.498 -3.373 42 2HB MET 85 1HB MET 85 99.148 9.091 -2.627 43 1HG MET 85 2HG MET 85 98.484 9.911 -4.566 44 2HG MET 85 1HG MET 85 99.910 10.945 -4.628 45 1HE MET 85 1HE MET 85 98.807 7.513 -7.204 46 2HE MET 85 2HE MET 85 97.927 8.244 -5.861 47 3HE MET 85 3HE MET 85 99.051 6.917 -5.562 48 H LYS 86 H LYS 86 103.185 10.251 -1.427 49 HA LYS 86 HA LYS 86 104.678 10.224 -3.823 50 1HB LYS 86 2HB LYS 86 103.734 12.689 -3.500 51 2HB LYS 86 1HB LYS 86 105.117 12.818 -2.423 52 1HG LYS 86 2HG LYS 86 105.452 11.785 -5.209 53 2HG LYS 86 1HG LYS 86 105.376 13.518 -4.889 54 1HD LYS 86 2HD LYS 86 107.427 13.560 -3.963 55 2HD LYS 86 1HD LYS 86 107.188 12.025 -3.125 56 1HE LYS 86 2HE LYS 86 107.631 12.166 -6.092 57 2HE LYS 86 1HE LYS 86 108.974 12.111 -4.952 58 1HZ LYS 86 1HZ LYS 86 106.917 10.102 -4.568 59 2HZ LYS 86 2HZ LYS 86 108.601 9.960 -4.483 60 3HZ LYS 86 3HZ LYS 86 107.826 9.946 -5.987 61 H ASP 87 H ASP 87 104.633 11.152 -0.413 62 HA ASP 87 HA ASP 87 107.397 10.238 -0.113 63 1HB ASP 87 2HB ASP 87 107.229 11.214 2.165 64 2HB ASP 87 1HB ASP 87 106.904 12.389 0.894 65 H ASP 88 H ASP 88 105.389 8.295 -0.651 66 HA ASP 88 HA ASP 88 105.147 6.907 1.930 67 1HB ASP 88 2HB ASP 88 103.250 7.355 -0.056 68 2HB ASP 88 1HB ASP 88 103.722 5.674 -0.290 69 H SER 89 H SER 89 106.091 6.446 -1.453 70 HA SER 89 HA SER 89 107.327 3.885 -0.768 71 1HB SER 89 2HB SER 89 106.170 5.035 -3.176 72 2HB SER 89 1HB SER 89 107.768 4.358 -3.483 73 HG SER 89 HG SER 89 106.128 2.788 -3.718 74 H LYS 90 H LYS 90 109.468 3.618 -0.586 75 HA LYS 90 HA LYS 90 111.174 5.915 -0.589 76 1HB LYS 90 2HB LYS 90 111.350 3.105 0.240 77 2HB LYS 90 1HB LYS 90 112.861 3.758 -0.375 78 1HG LYS 90 2HG LYS 90 113.173 5.070 1.412 79 2HG LYS 90 1HG LYS 90 111.465 5.497 1.526 80 1HD LYS 90 2HD LYS 90 111.146 3.077 2.363 81 2HD LYS 90 1HD LYS 90 112.890 3.102 2.633 82 1HE LYS 90 2HE LYS 90 111.521 5.463 3.667 83 2HE LYS 90 1HE LYS 90 110.972 3.959 4.406 84 1HZ LYS 90 1HZ LYS 90 113.456 3.479 4.680 85 2HZ LYS 90 2HZ LYS 90 112.751 4.612 5.719 86 3HZ LYS 90 3HZ LYS 90 113.681 5.134 4.405 87 H GLY 91 H GLY 91 112.238 6.733 -2.259 88 1HA GLY 91 2HA GLY 91 112.380 5.222 -4.746 89 2HA GLY 91 1HA GLY 91 112.767 6.923 -4.534 90 H LYS 92 H LYS 92 114.657 6.483 -5.832 91 HA LYS 92 HA LYS 92 116.739 4.902 -4.515 92 1HB LYS 92 2HB LYS 92 116.344 5.939 -7.296 93 2HB LYS 92 1HB LYS 92 117.968 5.549 -6.742 94 1HG LYS 92 2HG LYS 92 117.602 3.334 -6.811 95 2HG LYS 92 1HG LYS 92 115.942 3.482 -6.232 96 1HD LYS 92 2HD LYS 92 115.498 4.506 -8.585 97 2HD LYS 92 1HD LYS 92 117.006 3.698 -9.021 98 1HE LYS 92 2HE LYS 92 114.999 2.099 -7.543 99 2HE LYS 92 1HE LYS 92 114.613 2.519 -9.212 100 1HZ LYS 92 1HZ LYS 92 116.490 0.612 -8.208 101 2HZ LYS 92 2HZ LYS 92 117.204 1.671 -9.315 102 3HZ LYS 92 3HZ LYS 92 115.846 0.771 -9.764 103 H THR 93 H THR 93 116.222 7.087 -3.061 104 HA THR 93 HA THR 93 117.990 9.253 -3.841 105 HB THR 93 HB THR 93 117.281 10.115 -1.503 106 HG1 THR 93 HG1 THR 93 115.201 8.240 -1.852 107 1HG2 THR 93 1HG2 THR 93 115.313 11.083 -2.306 108 2HG2 THR 93 2HG2 THR 93 114.991 9.734 -3.395 109 3HG2 THR 93 3HG2 THR 93 116.319 10.842 -3.735 110 H GLU 94 H GLU 94 119.252 10.124 -1.714 111 HA GLU 94 HA GLU 94 121.475 8.476 -1.428 112 1HB GLU 94 2HB GLU 94 120.558 11.009 -0.352 113 2HB GLU 94 1HB GLU 94 121.452 10.093 0.853 114 1HG GLU 94 2HG GLU 94 123.163 9.782 -1.108 115 2HG GLU 94 1HG GLU 94 122.372 11.228 -1.737 116 H GLU 95 H GLU 95 118.461 8.415 0.249 117 HA GLU 95 HA GLU 95 119.334 7.129 2.623 118 1HB GLU 95 2HB GLU 95 116.961 8.216 1.720 119 2HB GLU 95 1HB GLU 95 116.605 6.496 1.793 120 1HG GLU 95 2HG GLU 95 117.931 7.806 4.115 121 2HG GLU 95 1HG GLU 95 116.203 8.037 3.860 122 H GLU 96 H GLU 96 118.523 5.994 -0.573 123 HA GLU 96 HA GLU 96 118.163 3.259 0.143 124 1HB GLU 96 2HB GLU 96 118.047 2.810 -2.182 125 2HB GLU 96 1HB GLU 96 117.289 4.379 -1.947 126 1HG GLU 96 2HG GLU 96 118.603 5.157 -3.547 127 2HG GLU 96 1HG GLU 96 119.963 4.956 -2.444 128 H LEU 97 H LEU 97 120.925 5.244 -0.502 129 HA LEU 97 HA LEU 97 122.802 3.392 -1.353 130 1HB LEU 97 2HB LEU 97 122.925 5.940 0.174 131 2HB LEU 97 1HB LEU 97 124.364 4.938 0.154 132 HG LEU 97 HG LEU 97 123.003 5.700 -2.408 133 1HD1 LEU 97 1HD1 LEU 97 125.239 7.307 -1.229 134 2HD1 LEU 97 2HD1 LEU 97 123.552 7.715 -0.913 135 3HD1 LEU 97 3HD1 LEU 97 124.163 7.712 -2.567 136 1HD2 LEU 97 1HD2 LEU 97 125.635 5.634 -2.909 137 2HD2 LEU 97 2HD2 LEU 97 124.597 4.213 -3.009 138 3HD2 LEU 97 3HD2 LEU 97 125.563 4.499 -1.562 139 H SER 98 H SER 98 121.433 3.865 1.818 140 HA SER 98 HA SER 98 123.349 2.540 3.370 141 1HB SER 98 2HB SER 98 121.420 3.891 4.243 142 2HB SER 98 1HB SER 98 120.361 2.538 3.847 143 HG SER 98 HG SER 98 121.655 2.866 6.062 144 H ASP 99 H ASP 99 120.831 1.324 1.283 145 HA ASP 99 HA ASP 99 120.838 -1.347 2.270 146 1HB ASP 99 2HB ASP 99 119.768 0.009 -0.176 147 2HB ASP 99 1HB ASP 99 119.830 -1.751 -0.123 148 H LEU 100 H LEU 100 122.463 0.280 -0.426 149 HA LEU 100 HA LEU 100 123.671 -1.975 -1.563 150 1HB LEU 100 2HB LEU 100 124.133 0.950 -1.638 151 2HB LEU 100 1HB LEU 100 125.476 -0.064 -2.129 152 HG LEU 100 HG LEU 100 122.719 -0.251 -3.336 153 1HD1 LEU 100 1HD1 LEU 100 125.116 1.054 -4.590 154 2HD1 LEU 100 2HD1 LEU 100 123.915 1.963 -3.671 155 3HD1 LEU 100 3HD1 LEU 100 123.437 1.089 -5.128 156 1HD2 LEU 100 1HD2 LEU 100 125.388 -1.332 -4.233 157 2HD2 LEU 100 2HD2 LEU 100 123.855 -1.506 -5.087 158 3HD2 LEU 100 3HD2 LEU 100 124.082 -2.276 -3.517 159 H PHE 101 H PHE 101 124.598 0.028 1.160 160 HA PHE 101 HA PHE 101 127.241 -0.988 1.422 161 1HB PHE 101 2HB PHE 101 126.553 1.162 2.400 162 2HB PHE 101 1HB PHE 101 125.460 0.318 3.491 163 HD1 PHE 101 HD1 PHE 101 129.046 0.028 2.482 164 HD2 PHE 101 HD2 PHE 101 126.203 0.160 5.645 165 HE1 PHE 101 HE1 PHE 101 130.866 -0.197 4.122 166 HE2 PHE 101 HE2 PHE 101 128.018 -0.065 7.292 167 HZ PHE 101 HZ PHE 101 130.352 -0.243 6.531 168 H ARG 102 H ARG 102 124.127 -1.851 2.855 169 HA ARG 102 HA ARG 102 125.038 -3.699 4.744 170 1HB ARG 102 2HB ARG 102 122.507 -2.940 3.565 171 2HB ARG 102 1HB ARG 102 122.582 -4.680 3.808 172 1HG ARG 102 2HG ARG 102 122.898 -4.451 6.123 173 2HG ARG 102 1HG ARG 102 123.276 -2.733 5.983 174 1HD ARG 102 2HD ARG 102 120.963 -2.317 5.233 175 2HD ARG 102 1HD ARG 102 120.602 -4.028 5.460 176 HE ARG 102 HE ARG 102 121.652 -2.812 7.823 177 1HH1 ARG 102 1HH1 ARG 102 118.750 -3.249 5.936 178 2HH1 ARG 102 2HH1 ARG 102 117.689 -3.031 7.287 179 1HH2 ARG 102 1HH2 ARG 102 120.260 -2.524 9.600 180 2HH2 ARG 102 2HH2 ARG 102 118.545 -2.619 9.369 181 H MET 103 H MET 103 124.589 -3.979 1.296 182 HA MET 103 HA MET 103 124.711 -6.830 1.196 183 1HB MET 103 2HB MET 103 124.763 -4.611 -0.784 184 2HB MET 103 1HB MET 103 125.409 -6.165 -1.293 185 1HG MET 103 2HG MET 103 123.234 -7.181 -0.516 186 2HG MET 103 1HG MET 103 122.626 -5.534 -0.363 187 1HE MET 103 1HE MET 103 121.767 -8.064 -1.804 188 2HE MET 103 2HE MET 103 122.614 -8.422 -3.310 189 3HE MET 103 3HE MET 103 121.099 -7.519 -3.343 190 H PHE 104 H PHE 104 127.056 -4.243 1.134 191 HA PHE 104 HA PHE 104 129.245 -5.818 0.213 192 1HB PHE 104 2HB PHE 104 128.953 -3.112 1.462 193 2HB PHE 104 1HB PHE 104 130.552 -3.843 1.349 194 HD1 PHE 104 HD1 PHE 104 128.821 -1.433 -0.100 195 HD2 PHE 104 HD2 PHE 104 130.554 -5.158 -1.210 196 HE1 PHE 104 HE1 PHE 104 129.007 -0.649 -2.425 197 HE2 PHE 104 HE2 PHE 104 130.744 -4.381 -3.537 198 HZ PHE 104 HZ PHE 104 129.970 -2.124 -4.148 199 H ASP 105 H ASP 105 127.879 -5.080 3.349 200 HA ASP 105 HA ASP 105 130.065 -6.039 4.894 201 1HB ASP 105 2HB ASP 105 127.841 -4.608 5.482 202 2HB ASP 105 1HB ASP 105 127.351 -6.196 6.065 203 H LYS 106 H LYS 106 130.155 -7.977 6.151 204 HA LYS 106 HA LYS 106 128.951 -10.251 4.758 205 1HB LYS 106 2HB LYS 106 131.389 -10.258 5.038 206 2HB LYS 106 1HB LYS 106 131.195 -10.154 6.782 207 1HG LYS 106 2HG LYS 106 131.648 -12.404 6.367 208 2HG LYS 106 1HG LYS 106 129.900 -12.340 6.606 209 1HD LYS 106 2HD LYS 106 130.734 -11.950 3.827 210 2HD LYS 106 1HD LYS 106 131.170 -13.526 4.489 211 1HE LYS 106 2HE LYS 106 128.942 -14.082 4.941 212 2HE LYS 106 1HE LYS 106 128.406 -12.407 4.811 213 1HZ LYS 106 1HZ LYS 106 129.608 -13.538 2.423 214 2HZ LYS 106 2HZ LYS 106 128.252 -12.540 2.584 215 3HZ LYS 106 3HZ LYS 106 128.116 -14.201 2.871 216 H ASN 107 H ASN 107 129.429 -9.014 8.054 217 HA ASN 107 HA ASN 107 127.325 -10.838 8.990 218 1HB ASN 107 2HB ASN 107 128.184 -10.365 11.258 219 2HB ASN 107 1HB ASN 107 129.427 -11.029 10.201 220 1HD2 ASN 107 1HD2 ASN 107 130.598 -9.987 12.137 221 2HD2 ASN 107 2HD2 ASN 107 131.155 -8.372 11.880 222 H ALA 108 H ALA 108 127.682 -7.699 7.978 223 HA ALA 108 HA ALA 108 126.374 -5.844 8.111 224 1HB ALA 108 1HB ALA 108 124.276 -7.268 9.668 225 2HB ALA 108 2HB ALA 108 124.617 -7.809 8.025 226 3HB ALA 108 3HB ALA 108 124.116 -6.144 8.319 227 H ASP 109 H ASP 109 128.181 -5.318 9.698 228 HA ASP 109 HA ASP 109 127.102 -4.932 12.408 229 1HB ASP 109 2HB ASP 109 129.431 -4.713 13.150 230 2HB ASP 109 1HB ASP 109 129.168 -6.250 12.333 231 H GLY 110 H GLY 110 128.352 -3.334 9.588 232 1HA GLY 110 2HA GLY 110 127.443 -1.005 9.384 233 2HA GLY 110 1HA GLY 110 128.108 -0.744 10.989 234 H TYR 111 H TYR 111 130.463 -2.503 10.115 235 HA TYR 111 HA TYR 111 131.808 -0.532 8.395 236 1HB TYR 111 2HB TYR 111 133.051 -1.864 10.810 237 2HB TYR 111 1HB TYR 111 133.817 -0.680 9.754 238 HD1 TYR 111 HD1 TYR 111 130.876 -1.070 12.016 239 HD2 TYR 111 HD2 TYR 111 133.760 1.566 10.334 240 HE1 TYR 111 HE1 TYR 111 130.054 0.741 13.460 241 HE2 TYR 111 HE2 TYR 111 132.947 3.384 11.775 242 HH TYR 111 HH TYR 111 130.035 3.152 13.561 243 H ILE 112 H ILE 112 133.533 -1.336 7.121 244 HA ILE 112 HA ILE 112 133.674 -4.270 6.927 245 HB ILE 112 HB ILE 112 133.668 -2.428 4.538 246 1HG1 ILE 112 2HG1 ILE 112 131.423 -4.165 5.590 247 2HG1 ILE 112 1HG1 ILE 112 131.471 -2.407 5.673 248 1HG2 ILE 112 1HG2 ILE 112 134.854 -4.466 4.122 249 2HG2 ILE 112 2HG2 ILE 112 133.291 -4.562 3.313 250 3HG2 ILE 112 3HG2 ILE 112 133.554 -5.425 4.829 251 1HD1 ILE 112 1HD1 ILE 112 130.930 -2.157 3.498 252 2HD1 ILE 112 2HD1 ILE 112 130.201 -3.742 3.754 253 3HD1 ILE 112 3HD1 ILE 112 131.790 -3.612 2.999 254 H ASP 113 H ASP 113 135.645 -5.130 6.199 255 HA ASP 113 HA ASP 113 137.875 -3.235 5.943 256 1HB ASP 113 2HB ASP 113 139.267 -4.777 7.341 257 2HB ASP 113 1HB ASP 113 137.971 -3.983 8.231 258 H LEU 114 H LEU 114 139.956 -4.711 5.428 259 HA LEU 114 HA LEU 114 139.574 -5.679 2.832 260 1HB LEU 114 2HB LEU 114 141.840 -6.213 4.754 261 2HB LEU 114 1HB LEU 114 141.882 -6.560 3.036 262 HG LEU 114 HG LEU 114 141.297 -3.767 3.900 263 1HD1 LEU 114 1HD1 LEU 114 144.140 -4.445 3.510 264 2HD1 LEU 114 2HD1 LEU 114 143.423 -4.949 5.040 265 3HD1 LEU 114 3HD1 LEU 114 143.388 -3.251 4.569 266 1HD2 LEU 114 1HD2 LEU 114 142.990 -4.797 1.639 267 2HD2 LEU 114 2HD2 LEU 114 142.268 -3.200 1.824 268 3HD2 LEU 114 3HD2 LEU 114 141.243 -4.600 1.513 269 H GLU 115 H GLU 115 139.487 -7.289 5.929 270 HA GLU 115 HA GLU 115 139.685 -9.948 4.960 271 1HB GLU 115 2HB GLU 115 139.940 -9.011 7.380 272 2HB GLU 115 1HB GLU 115 138.198 -9.235 7.464 273 1HG GLU 115 2HG GLU 115 138.573 -11.622 6.799 274 2HG GLU 115 1HG GLU 115 140.299 -11.333 7.003 275 H GLU 116 H GLU 116 136.860 -8.092 6.105 276 HA GLU 116 HA GLU 116 134.946 -10.003 5.332 277 1HB GLU 116 2HB GLU 116 134.914 -7.166 6.181 278 2HB GLU 116 1HB GLU 116 133.515 -7.712 5.266 279 1HG GLU 116 2HG GLU 116 133.040 -9.414 6.870 280 2HG GLU 116 1HG GLU 116 134.551 -9.102 7.722 281 H LEU 117 H LEU 117 136.484 -7.375 3.601 282 HA LEU 117 HA LEU 117 134.705 -7.395 1.373 283 1HB LEU 117 2HB LEU 117 136.455 -5.604 2.202 284 2HB LEU 117 1HB LEU 117 137.533 -6.476 1.130 285 HG LEU 117 HG LEU 117 135.896 -6.084 -0.725 286 1HD1 LEU 117 1HD1 LEU 117 133.908 -5.719 0.636 287 2HD1 LEU 117 2HD1 LEU 117 134.214 -4.340 -0.420 288 3HD1 LEU 117 3HD1 LEU 117 134.618 -4.245 1.293 289 1HD2 LEU 117 1HD2 LEU 117 136.786 -3.490 0.495 290 2HD2 LEU 117 2HD2 LEU 117 136.705 -3.939 -1.209 291 3HD2 LEU 117 3HD2 LEU 117 137.936 -4.652 -0.166 292 H LYS 118 H LYS 118 137.551 -9.194 2.257 293 HA LYS 118 HA LYS 118 138.243 -10.154 -0.309 294 1HB LYS 118 2HB LYS 118 139.562 -10.229 1.937 295 2HB LYS 118 1HB LYS 118 138.704 -11.742 2.194 296 1HG LYS 118 2HG LYS 118 140.474 -12.632 1.150 297 2HG LYS 118 1HG LYS 118 139.629 -12.122 -0.314 298 1HD LYS 118 2HD LYS 118 141.629 -11.141 -0.743 299 2HD LYS 118 1HD LYS 118 140.932 -9.852 0.240 300 1HE LYS 118 2HE LYS 118 142.716 -10.038 1.559 301 2HE LYS 118 1HE LYS 118 142.062 -11.586 2.087 302 1HZ LYS 118 1HZ LYS 118 143.530 -12.738 0.831 303 2HZ LYS 118 2HZ LYS 118 144.467 -11.347 1.048 304 3HZ LYS 118 3HZ LYS 118 143.604 -11.568 -0.390 305 H ILE 119 H ILE 119 135.808 -11.086 1.985 306 HA ILE 119 HA ILE 119 135.339 -13.703 0.960 307 HB ILE 119 HB ILE 119 133.398 -11.964 2.484 308 1HG1 ILE 119 2HG1 ILE 119 135.351 -13.972 3.620 309 2HG1 ILE 119 1HG1 ILE 119 135.653 -12.239 3.587 310 1HG2 ILE 119 1HG2 ILE 119 133.447 -14.886 2.836 311 2HG2 ILE 119 2HG2 ILE 119 132.897 -14.315 1.260 312 3HG2 ILE 119 3HG2 ILE 119 132.080 -13.775 2.728 313 1HD1 ILE 119 1HD1 ILE 119 133.150 -13.259 4.835 314 2HD1 ILE 119 2HD1 ILE 119 134.074 -11.798 5.190 315 3HD1 ILE 119 3HD1 ILE 119 134.676 -13.372 5.713 316 H MET 120 H MET 120 134.099 -10.505 0.213 317 HA MET 120 HA MET 120 132.016 -11.509 -1.512 318 1HB MET 120 2HB MET 120 131.593 -9.154 -2.024 319 2HB MET 120 1HB MET 120 131.697 -9.414 -0.288 320 1HG MET 120 2HG MET 120 133.658 -8.259 -0.090 321 2HG MET 120 1HG MET 120 134.150 -8.590 -1.749 322 1HE MET 120 1HE MET 120 134.232 -6.624 -3.444 323 2HE MET 120 2HE MET 120 132.698 -5.847 -3.839 324 3HE MET 120 3HE MET 120 132.814 -7.606 -3.816 325 H LEU 121 H LEU 121 135.307 -10.412 -1.833 326 HA LEU 121 HA LEU 121 135.211 -10.054 -4.673 327 1HB LEU 121 2HB LEU 121 137.586 -10.413 -2.843 328 2HB LEU 121 1HB LEU 121 137.656 -9.882 -4.513 329 HG LEU 121 HG LEU 121 135.973 -8.292 -2.650 330 1HD1 LEU 121 1HD1 LEU 121 138.728 -7.382 -2.667 331 2HD1 LEU 121 2HD1 LEU 121 138.536 -8.939 -1.862 332 3HD1 LEU 121 3HD1 LEU 121 137.598 -7.547 -1.324 333 1HD2 LEU 121 1HD2 LEU 121 136.581 -6.500 -4.058 334 2HD2 LEU 121 2HD2 LEU 121 136.278 -7.870 -5.127 335 3HD2 LEU 121 3HD2 LEU 121 137.935 -7.398 -4.746 336 H GLN 122 H GLN 122 136.242 -12.635 -2.491 337 HA GLN 122 HA GLN 122 137.381 -14.327 -4.421 338 1HB GLN 122 2HB GLN 122 137.027 -16.128 -2.759 339 2HB GLN 122 1HB GLN 122 137.771 -14.694 -2.064 340 1HG GLN 122 2HG GLN 122 135.576 -14.006 -1.199 341 2HG GLN 122 1HG GLN 122 134.879 -15.491 -1.845 342 1HE2 GLN 122 1HE2 GLN 122 137.839 -14.726 -0.041 343 2HE2 GLN 122 2HE2 GLN 122 137.577 -15.882 1.215 344 H ALA 123 H ALA 123 134.084 -14.173 -3.120 345 HA ALA 123 HA ALA 123 133.014 -16.352 -4.496 346 1HB ALA 123 1HB ALA 123 130.820 -15.033 -4.246 347 2HB ALA 123 2HB ALA 123 131.800 -13.844 -3.390 348 3HB ALA 123 3HB ALA 123 131.687 -15.495 -2.782 349 H THR 124 H THR 124 133.526 -13.025 -5.509 350 HA THR 124 HA THR 124 132.054 -13.288 -7.955 351 HB THR 124 HB THR 124 133.481 -11.128 -8.467 352 HG1 THR 124 HG1 THR 124 134.143 -10.126 -6.546 353 1HG2 THR 124 1HG2 THR 124 131.212 -10.775 -8.137 354 2HG2 THR 124 2HG2 THR 124 131.976 -9.807 -6.876 355 3HG2 THR 124 3HG2 THR 124 131.263 -11.368 -6.478 356 H GLY 125 H GLY 125 132.875 -13.429 -10.063 357 1HA GLY 125 2HA GLY 125 135.443 -14.828 -10.216 358 2HA GLY 125 1HA GLY 125 134.192 -14.829 -11.450 359 H GLU 126 H GLU 126 135.382 -11.932 -9.869 360 HA GLU 126 HA GLU 126 136.104 -10.824 -12.443 361 1HB GLU 126 2HB GLU 126 136.039 -9.688 -9.650 362 2HB GLU 126 1HB GLU 126 136.639 -8.778 -11.029 363 1HG GLU 126 2HG GLU 126 134.538 -8.691 -12.038 364 2HG GLU 126 1HG GLU 126 133.907 -10.002 -11.043 365 H THR 127 H THR 127 138.186 -9.442 -12.463 366 HA THR 127 HA THR 127 140.379 -11.190 -11.596 367 HB THR 127 HB THR 127 141.702 -10.206 -13.351 368 HG1 THR 127 HG1 THR 127 139.505 -8.506 -13.906 369 1HG2 THR 127 1HG2 THR 127 140.000 -10.421 -15.348 370 2HG2 THR 127 2HG2 THR 127 138.986 -11.131 -14.093 371 3HG2 THR 127 3HG2 THR 127 140.563 -11.832 -14.454 372 H ILE 128 H ILE 128 140.053 -10.208 -9.413 373 HA ILE 128 HA ILE 128 141.378 -7.583 -9.204 374 HB ILE 128 HB ILE 128 139.653 -8.903 -7.109 375 1HG1 ILE 128 2HG1 ILE 128 138.625 -6.498 -8.445 376 2HG1 ILE 128 1HG1 ILE 128 138.741 -7.902 -9.500 377 1HG2 ILE 128 1HG2 ILE 128 139.723 -6.827 -5.963 378 2HG2 ILE 128 2HG2 ILE 128 140.497 -6.024 -7.328 379 3HG2 ILE 128 3HG2 ILE 128 141.386 -7.226 -6.394 380 1HD1 ILE 128 1HD1 ILE 128 137.464 -9.175 -7.741 381 2HD1 ILE 128 2HD1 ILE 128 136.569 -7.917 -8.595 382 3HD1 ILE 128 3HD1 ILE 128 137.166 -7.621 -6.962 383 H THR 129 H THR 129 143.392 -7.603 -8.475 384 HA THR 129 HA THR 129 144.528 -9.993 -7.333 385 HB THR 129 HB THR 129 146.080 -7.468 -7.325 386 HG1 THR 129 HG1 THR 129 145.285 -7.044 -9.254 387 1HG2 THR 129 1HG2 THR 129 147.826 -8.817 -7.503 388 2HG2 THR 129 2HG2 THR 129 147.118 -9.675 -8.872 389 3HG2 THR 129 3HG2 THR 129 146.707 -10.152 -7.225 390 H GLU 130 H GLU 130 145.939 -9.809 -5.355 391 HA GLU 130 HA GLU 130 144.394 -9.138 -3.125 392 1HB GLU 130 2HB GLU 130 146.515 -10.684 -3.416 393 2HB GLU 130 1HB GLU 130 147.373 -9.236 -2.905 394 1HG GLU 130 2HG GLU 130 146.056 -9.165 -0.858 395 2HG GLU 130 1HG GLU 130 145.171 -10.600 -1.371 396 H ASP 131 H ASP 131 146.953 -7.361 -4.779 397 HA ASP 131 HA ASP 131 147.080 -5.245 -2.871 398 1HB ASP 131 2HB ASP 131 148.704 -6.037 -4.886 399 2HB ASP 131 1HB ASP 131 147.886 -4.684 -5.663 400 H ASP 132 H ASP 132 145.182 -5.878 -5.731 401 HA ASP 132 HA ASP 132 144.250 -3.270 -6.220 402 1HB ASP 132 2HB ASP 132 143.318 -6.017 -6.926 403 2HB ASP 132 1HB ASP 132 142.207 -4.672 -7.166 404 H ILE 133 H ILE 133 143.291 -5.707 -3.916 405 HA ILE 133 HA ILE 133 140.766 -4.598 -3.241 406 HB ILE 133 HB ILE 133 142.525 -6.280 -1.456 407 1HG1 ILE 133 2HG1 ILE 133 140.508 -7.161 -3.535 408 2HG1 ILE 133 1HG1 ILE 133 142.253 -7.362 -3.647 409 1HG2 ILE 133 1HG2 ILE 133 139.765 -5.293 -1.327 410 2HG2 ILE 133 2HG2 ILE 133 140.850 -5.811 -0.037 411 3HG2 ILE 133 3HG2 ILE 133 139.956 -7.010 -0.972 412 1HD1 ILE 133 1HD1 ILE 133 141.106 -9.423 -2.994 413 2HD1 ILE 133 2HD1 ILE 133 140.498 -8.615 -1.550 414 3HD1 ILE 133 3HD1 ILE 133 142.230 -8.866 -1.757 415 H GLU 134 H GLU 134 144.044 -4.088 -2.077 416 HA GLU 134 HA GLU 134 143.372 -2.583 0.222 417 1HB GLU 134 2HB GLU 134 145.883 -2.649 -1.455 418 2HB GLU 134 1HB GLU 134 145.744 -1.770 0.062 419 1HG GLU 134 2HG GLU 134 145.155 -3.940 1.160 420 2HG GLU 134 1HG GLU 134 145.565 -4.739 -0.357 421 H GLU 135 H GLU 135 143.888 -1.731 -3.146 422 HA GLU 135 HA GLU 135 144.039 1.062 -2.824 423 1HB GLU 135 2HB GLU 135 142.994 -0.494 -5.196 424 2HB GLU 135 1HB GLU 135 143.519 1.183 -5.211 425 1HG GLU 135 2HG GLU 135 145.222 -1.248 -4.730 426 2HG GLU 135 1HG GLU 135 145.248 -0.186 -6.138 427 H LEU 136 H LEU 136 141.338 -1.152 -3.001 428 HA LEU 136 HA LEU 136 139.286 0.674 -3.549 429 1HB LEU 136 2HB LEU 136 139.498 -2.053 -2.482 430 2HB LEU 136 1HB LEU 136 138.083 -1.178 -1.928 431 HG LEU 136 HG LEU 136 137.778 -0.654 -4.487 432 1HD1 LEU 136 1HD1 LEU 136 139.807 -2.799 -4.423 433 2HD1 LEU 136 2HD1 LEU 136 139.502 -1.556 -5.637 434 3HD1 LEU 136 3HD1 LEU 136 138.483 -2.994 -5.572 435 1HD2 LEU 136 1HD2 LEU 136 136.497 -2.212 -2.759 436 2HD2 LEU 136 2HD2 LEU 136 137.135 -3.470 -3.817 437 3HD2 LEU 136 3HD2 LEU 136 136.108 -2.197 -4.479 438 H MET 137 H MET 137 140.520 -0.508 -0.425 439 HA MET 137 HA MET 137 138.812 1.107 1.153 440 1HB MET 137 2HB MET 137 141.465 -0.166 1.842 441 2HB MET 137 1HB MET 137 140.352 0.535 3.006 442 1HG MET 137 2HG MET 137 138.796 -1.253 1.577 443 2HG MET 137 1HG MET 137 140.342 -2.078 1.770 444 1HE MET 137 1HE MET 137 137.155 -1.231 2.870 445 2HE MET 137 2HE MET 137 137.045 -1.322 4.629 446 3HE MET 137 3HE MET 137 137.149 -2.802 3.673 447 H LYS 138 H LYS 138 141.851 1.687 -0.424 448 HA LYS 138 HA LYS 138 142.835 3.827 1.058 449 1HB LYS 138 2HB LYS 138 144.096 2.716 -0.734 450 2HB LYS 138 1HB LYS 138 143.002 3.399 -1.931 451 1HG LYS 138 2HG LYS 138 143.716 5.673 -1.100 452 2HG LYS 138 1HG LYS 138 144.984 4.843 -0.199 453 1HD LYS 138 2HD LYS 138 146.194 4.405 -2.054 454 2HD LYS 138 1HD LYS 138 144.761 4.101 -3.038 455 1HE LYS 138 2HE LYS 138 145.827 6.055 -3.897 456 2HE LYS 138 1HE LYS 138 144.358 6.568 -3.067 457 1HZ LYS 138 1HZ LYS 138 146.780 6.514 -1.462 458 2HZ LYS 138 2HZ LYS 138 145.522 7.645 -1.487 459 3HZ LYS 138 3HZ LYS 138 146.726 7.695 -2.673 460 H ASP 139 H ASP 139 141.000 4.085 -1.995 461 HA ASP 139 HA ASP 139 140.430 6.852 -1.539 462 1HB ASP 139 2HB ASP 139 139.297 6.809 -3.637 463 2HB ASP 139 1HB ASP 139 140.715 5.781 -3.805 464 H GLY 140 H GLY 140 138.935 3.913 -0.612 465 1HA GLY 140 2HA GLY 140 136.265 4.968 -0.376 466 2HA GLY 140 1HA GLY 140 136.837 3.423 0.237 467 H ASP 141 H ASP 141 139.076 4.777 1.670 468 HA ASP 141 HA ASP 141 137.555 5.447 4.057 469 1HB ASP 141 2HB ASP 141 139.566 3.862 4.006 470 2HB ASP 141 1HB ASP 141 140.559 5.306 3.833 471 H LYS 142 H LYS 142 137.940 7.342 5.301 472 HA LYS 142 HA LYS 142 139.091 9.581 3.769 473 1HB LYS 142 2HB LYS 142 136.582 9.539 5.447 474 2HB LYS 142 1HB LYS 142 137.351 11.020 4.893 475 1HG LYS 142 2HG LYS 142 136.332 8.842 3.082 476 2HG LYS 142 1HG LYS 142 135.449 10.314 3.491 477 1HD LYS 142 2HD LYS 142 138.137 10.203 2.125 478 2HD LYS 142 1HD LYS 142 136.592 10.496 1.324 479 1HE LYS 142 2HE LYS 142 136.310 12.478 2.861 480 2HE LYS 142 1HE LYS 142 137.988 12.237 3.346 481 1HZ LYS 142 1HZ LYS 142 138.635 12.509 1.015 482 2HZ LYS 142 2HZ LYS 142 137.850 13.882 1.611 483 3HZ LYS 142 3HZ LYS 142 137.023 12.811 0.596 484 H ASN 143 H ASN 143 138.342 8.289 6.975 485 HA ASN 143 HA ASN 143 140.089 10.248 8.236 486 1HB ASN 143 2HB ASN 143 139.347 9.096 10.357 487 2HB ASN 143 1HB ASN 143 138.058 9.848 9.421 488 1HD2 ASN 143 1HD2 ASN 143 136.360 8.620 9.941 489 2HD2 ASN 143 2HD2 ASN 143 136.256 6.915 9.680 490 H ASN 144 H ASN 144 140.575 7.409 6.671 491 HA ASN 144 HA ASN 144 142.264 5.894 6.604 492 1HB ASN 144 2HB ASN 144 143.575 8.010 8.312 493 2HB ASN 144 1HB ASN 144 144.421 6.573 7.749 494 1HD2 ASN 144 1HD2 ASN 144 145.824 7.387 6.327 495 2HD2 ASN 144 2HD2 ASN 144 145.397 8.322 4.938 496 H ASP 145 H ASP 145 140.198 5.528 8.532 497 HA ASP 145 HA ASP 145 141.349 4.673 11.012 498 1HB ASP 145 2HB ASP 145 139.106 3.786 11.497 499 2HB ASP 145 1HB ASP 145 139.024 5.442 10.901 500 H GLY 146 H GLY 146 140.604 3.185 7.946 501 1HA GLY 146 2HA GLY 146 141.904 1.231 7.311 502 2HA GLY 146 1HA GLY 146 141.755 0.668 8.969 503 H ARG 147 H ARG 147 138.875 2.031 7.830 504 HA ARG 147 HA ARG 147 137.850 -0.371 6.595 505 1HB ARG 147 2HB ARG 147 136.742 0.563 9.250 506 2HB ARG 147 1HB ARG 147 136.058 -0.706 8.246 507 1HG ARG 147 2HG ARG 147 138.325 -1.867 8.492 508 2HG ARG 147 1HG ARG 147 138.613 -0.727 9.808 509 1HD ARG 147 2HD ARG 147 136.771 -1.547 11.046 510 2HD ARG 147 1HD ARG 147 136.156 -2.453 9.664 511 HE ARG 147 HE ARG 147 137.591 -4.155 10.189 512 1HH1 ARG 147 1HH1 ARG 147 138.595 -1.276 11.886 513 2HH1 ARG 147 2HH1 ARG 147 139.787 -2.100 12.834 514 1HH2 ARG 147 1HH2 ARG 147 139.159 -5.240 11.435 515 2HH2 ARG 147 2HH2 ARG 147 140.107 -4.351 12.578 516 H ILE 148 H ILE 148 135.330 -0.061 6.344 517 HA ILE 148 HA ILE 148 134.811 2.765 5.693 518 HB ILE 148 HB ILE 148 133.924 0.425 4.004 519 1HG1 ILE 148 2HG1 ILE 148 136.140 2.416 3.473 520 2HG1 ILE 148 1HG1 ILE 148 136.382 0.737 3.937 521 1HG2 ILE 148 1HG2 ILE 148 133.800 3.404 3.557 522 2HG2 ILE 148 2HG2 ILE 148 132.437 2.329 3.870 523 3HG2 ILE 148 3HG2 ILE 148 133.354 2.179 2.370 524 1HD1 ILE 148 1HD1 ILE 148 136.455 0.283 1.770 525 2HD1 ILE 148 2HD1 ILE 148 135.849 1.883 1.343 526 3HD1 ILE 148 3HD1 ILE 148 134.718 0.588 1.737 527 H ASP 149 H ASP 149 132.794 3.531 6.136 528 HA ASP 149 HA ASP 149 130.776 1.623 7.089 529 1HB ASP 149 2HB ASP 149 130.226 3.134 8.963 530 2HB ASP 149 1HB ASP 149 131.874 2.524 9.075 531 H TYR 150 H TYR 150 128.727 3.229 7.698 532 HA TYR 150 HA TYR 150 127.614 3.912 5.252 533 1HB TYR 150 2HB TYR 150 126.342 3.490 7.352 534 2HB TYR 150 1HB TYR 150 126.852 5.070 7.939 535 HD1 TYR 150 HD1 TYR 150 125.220 3.582 4.919 536 HD2 TYR 150 HD2 TYR 150 125.372 6.816 7.679 537 HE1 TYR 150 HE1 TYR 150 123.282 4.613 3.810 538 HE2 TYR 150 HE2 TYR 150 123.435 7.856 6.578 539 HH TYR 150 HH TYR 150 121.410 6.885 5.112 540 H ASP 151 H ASP 151 129.275 5.964 7.606 541 HA ASP 151 HA ASP 151 128.763 8.434 6.377 542 1HB ASP 151 2HB ASP 151 130.919 7.453 8.226 543 2HB ASP 151 1HB ASP 151 130.972 9.087 7.572 544 H GLU 152 H GLU 152 131.588 6.284 6.096 545 HA GLU 152 HA GLU 152 132.894 7.861 4.136 546 1HB GLU 152 2HB GLU 152 133.241 4.919 4.740 547 2HB GLU 152 1HB GLU 152 134.364 5.927 3.839 548 1HG GLU 152 2HG GLU 152 134.903 7.198 5.775 549 2HG GLU 152 1HG GLU 152 133.603 6.448 6.700 550 H PHE 153 H PHE 153 130.753 5.054 3.958 551 HA PHE 153 HA PHE 153 130.987 4.535 1.221 552 1HB PHE 153 2HB PHE 153 129.820 3.133 3.016 553 2HB PHE 153 1HB PHE 153 128.430 4.189 2.782 554 HD1 PHE 153 HD1 PHE 153 130.820 2.194 0.721 555 HD2 PHE 153 HD2 PHE 153 126.808 3.471 1.337 556 HE1 PHE 153 HE1 PHE 153 130.091 0.803 -1.175 557 HE2 PHE 153 HE2 PHE 153 126.071 2.083 -0.556 558 HZ PHE 153 HZ PHE 153 127.714 0.746 -1.814 559 H LEU 154 H LEU 154 129.048 6.875 2.971 560 HA LEU 154 HA LEU 154 127.468 7.648 0.713 561 1HB LEU 154 2HB LEU 154 127.736 8.427 3.525 562 2HB LEU 154 1HB LEU 154 127.365 9.770 2.461 563 HG LEU 154 HG LEU 154 125.351 8.674 1.690 564 1HD1 LEU 154 1HD1 LEU 154 124.638 6.537 2.789 565 2HD1 LEU 154 2HD1 LEU 154 126.285 6.381 3.401 566 3HD1 LEU 154 3HD1 LEU 154 125.986 6.384 1.663 567 1HD2 LEU 154 1HD2 LEU 154 124.051 8.849 3.655 568 2HD2 LEU 154 2HD2 LEU 154 125.395 9.973 3.858 569 3HD2 LEU 154 3HD2 LEU 154 125.414 8.415 4.685 570 H GLU 155 H GLU 155 130.192 9.147 2.448 571 HA GLU 155 HA GLU 155 130.454 11.379 0.762 572 1HB GLU 155 2HB GLU 155 132.537 9.977 2.447 573 2HB GLU 155 1HB GLU 155 132.744 11.560 1.710 574 1HG GLU 155 2HG GLU 155 130.370 11.183 3.431 575 2HG GLU 155 1HG GLU 155 131.944 11.221 4.225 576 H PHE 156 H PHE 156 132.007 8.196 0.692 577 HA PHE 156 HA PHE 156 133.775 8.667 -1.423 578 1HB PHE 156 2HB PHE 156 133.844 6.679 0.066 579 2HB PHE 156 1HB PHE 156 132.397 6.065 -0.727 580 HD1 PHE 156 HD1 PHE 156 132.978 4.200 -1.936 581 HD2 PHE 156 HD2 PHE 156 135.500 7.625 -2.084 582 HE1 PHE 156 HE1 PHE 156 134.377 3.092 -3.628 583 HE2 PHE 156 HE2 PHE 156 136.905 6.523 -3.777 584 HZ PHE 156 HZ PHE 156 136.340 4.253 -4.552 585 H MET 157 H MET 157 130.377 7.794 -1.398 586 HA MET 157 HA MET 157 130.307 7.459 -4.279 587 1HB MET 157 2HB MET 157 128.753 6.520 -2.147 588 2HB MET 157 1HB MET 157 127.704 7.631 -3.018 589 1HG MET 157 2HG MET 157 127.351 5.474 -3.919 590 2HG MET 157 1HG MET 157 128.271 6.391 -5.112 591 1HE MET 157 1HE MET 157 128.985 4.534 -1.848 592 2HE MET 157 2HE MET 157 130.082 3.230 -2.307 593 3HE MET 157 3HE MET 157 128.375 3.143 -2.742 594 H LYS 158 H LYS 158 129.776 9.941 -1.946 595 HA LYS 158 HA LYS 158 128.152 11.585 -3.677 596 1HB LYS 158 2HB LYS 158 128.179 11.509 -1.071 597 2HB LYS 158 1HB LYS 158 129.557 12.591 -1.223 598 1HG LYS 158 2HG LYS 158 128.190 14.192 -2.441 599 2HG LYS 158 1HG LYS 158 126.808 13.098 -2.343 600 1HD LYS 158 2HD LYS 158 126.427 14.579 -0.593 601 2HD LYS 158 1HD LYS 158 127.195 13.208 0.209 602 1HE LYS 158 2HE LYS 158 129.247 14.952 -0.676 603 2HE LYS 158 1HE LYS 158 128.027 15.932 0.132 604 1HZ LYS 158 1HZ LYS 158 129.166 15.312 1.951 605 2HZ LYS 158 2HZ LYS 158 129.814 13.927 1.228 606 3HZ LYS 158 3HZ LYS 158 128.237 13.903 1.837 607 H GLY 159 H GLY 159 130.139 11.108 -5.260 608 1HA GLY 159 2HA GLY 159 131.308 12.661 -6.668 609 2HA GLY 159 1HA GLY 159 131.715 13.593 -5.235 610 H VAL 160 H VAL 160 132.350 10.566 -6.940 611 HA VAL 160 HA VAL 160 134.619 9.886 -5.327 612 HB VAL 160 HB VAL 160 134.013 8.810 -8.075 613 1HG1 VAL 160 1HG1 VAL 160 136.163 8.369 -6.508 614 2HG1 VAL 160 2HG1 VAL 160 135.511 7.185 -7.641 615 3HG1 VAL 160 3HG1 VAL 160 135.084 7.098 -5.933 616 1HG2 VAL 160 1HG2 VAL 160 133.056 7.075 -6.030 617 2HG2 VAL 160 2HG2 VAL 160 132.155 7.843 -7.336 618 3HG2 VAL 160 3HG2 VAL 160 132.342 8.669 -5.790 619 H GLU 161 H GLU 161 134.089 11.617 -8.322 620 HA GLU 161 HA GLU 161 136.903 11.722 -8.977 621 1HB GLU 161 2HB GLU 161 134.640 13.298 -10.210 622 2HB GLU 161 1HB GLU 161 136.233 13.013 -10.898 623 1HG GLU 161 2HG GLU 161 135.718 10.609 -11.032 624 2HG GLU 161 1HG GLU 161 134.100 10.945 -10.415 Start of MODEL 12 1 1H MET 81 1HT MET 81 93.745 11.777 7.259 2 2H MET 81 2HT MET 81 92.372 12.750 7.600 3 3H MET 81 3HT MET 81 93.892 13.135 8.296 4 HA MET 81 HA MET 81 93.165 14.518 6.388 5 1HB MET 81 2HB MET 81 95.527 14.082 7.336 6 2HB MET 81 1HB MET 81 95.756 13.056 5.927 7 1HG MET 81 2HG MET 81 95.057 15.094 4.555 8 2HG MET 81 1HG MET 81 95.315 16.016 6.034 9 1HE MET 81 1HE MET 81 96.689 17.249 4.121 10 2HE MET 81 2HE MET 81 98.442 17.060 4.107 11 3HE MET 81 3HE MET 81 97.617 17.523 5.595 12 H VAL 82 H VAL 82 92.899 14.675 4.159 13 HA VAL 82 HA VAL 82 91.877 12.345 2.874 14 HB VAL 82 HB VAL 82 91.577 13.808 0.902 15 1HG1 VAL 82 1HG1 VAL 82 90.155 13.803 3.169 16 2HG1 VAL 82 2HG1 VAL 82 89.738 14.800 1.776 17 3HG1 VAL 82 3HG1 VAL 82 90.623 15.503 3.129 18 1HG2 VAL 82 1HG2 VAL 82 93.134 15.412 0.684 19 2HG2 VAL 82 2HG2 VAL 82 93.436 15.496 2.419 20 3HG2 VAL 82 3HG2 VAL 82 92.062 16.353 1.721 21 H ARG 83 H ARG 83 92.585 12.072 0.427 22 HA ARG 83 HA ARG 83 95.255 11.060 0.516 23 1HB ARG 83 2HB ARG 83 94.800 10.503 -1.910 24 2HB ARG 83 1HB ARG 83 93.690 9.799 -0.742 25 1HG ARG 83 2HG ARG 83 92.668 12.327 -1.573 26 2HG ARG 83 1HG ARG 83 93.089 11.376 -2.999 27 1HD ARG 83 2HD ARG 83 91.722 9.544 -2.239 28 2HD ARG 83 1HD ARG 83 91.400 10.369 -0.713 29 HE ARG 83 HE ARG 83 89.797 11.621 -1.766 30 1HH1 ARG 83 1HH1 ARG 83 91.782 10.062 -4.178 31 2HH1 ARG 83 2HH1 ARG 83 90.761 10.527 -5.497 32 1HH2 ARG 83 1HH2 ARG 83 88.453 12.233 -3.500 33 2HH2 ARG 83 2HH2 ARG 83 88.871 11.759 -5.113 34 H CYS 84 H CYS 84 96.407 13.041 0.944 35 HA CYS 84 HA CYS 84 96.907 14.579 -1.516 36 1HB CYS 84 2HB CYS 84 96.415 15.539 1.268 37 2HB CYS 84 1HB CYS 84 97.559 16.429 0.270 38 HG CYS 84 HG CYS 84 95.357 16.468 -1.464 39 H MET 85 H MET 85 99.059 15.973 -1.003 40 HA MET 85 HA MET 85 101.327 15.892 -0.852 41 1HB MET 85 2HB MET 85 100.332 14.953 1.602 42 2HB MET 85 1HB MET 85 101.625 13.844 1.165 43 1HG MET 85 2HG MET 85 102.357 16.620 0.746 44 2HG MET 85 1HG MET 85 101.904 16.280 2.415 45 1HE MET 85 1HE MET 85 104.643 14.415 3.922 46 2HE MET 85 2HE MET 85 102.986 15.017 3.985 47 3HE MET 85 3HE MET 85 104.334 16.150 3.869 48 H LYS 86 H LYS 86 103.238 14.134 -0.641 49 HA LYS 86 HA LYS 86 102.525 11.989 -2.531 50 1HB LYS 86 2HB LYS 86 105.200 13.353 -2.168 51 2HB LYS 86 1HB LYS 86 104.828 12.105 -3.350 52 1HG LYS 86 2HG LYS 86 102.933 13.926 -3.957 53 2HG LYS 86 1HG LYS 86 104.224 14.981 -3.378 54 1HD LYS 86 2HD LYS 86 105.737 13.553 -4.934 55 2HD LYS 86 1HD LYS 86 104.216 13.095 -5.704 56 1HE LYS 86 2HE LYS 86 103.726 15.570 -5.899 57 2HE LYS 86 1HE LYS 86 105.400 15.848 -5.422 58 1HZ LYS 86 1HZ LYS 86 106.160 14.683 -7.344 59 2HZ LYS 86 2HZ LYS 86 105.032 15.834 -7.856 60 3HZ LYS 86 3HZ LYS 86 104.590 14.205 -7.758 61 H ASP 87 H ASP 87 102.241 10.207 -1.323 62 HA ASP 87 HA ASP 87 103.679 9.646 1.059 63 1HB ASP 87 2HB ASP 87 102.631 7.395 0.879 64 2HB ASP 87 1HB ASP 87 101.470 8.710 0.730 65 H ASP 88 H ASP 88 103.933 8.433 -2.265 66 HA ASP 88 HA ASP 88 106.335 6.935 -1.562 67 1HB ASP 88 2HB ASP 88 104.296 6.326 -3.248 68 2HB ASP 88 1HB ASP 88 105.455 7.013 -4.383 69 H SER 89 H SER 89 106.865 9.525 -1.207 70 HA SER 89 HA SER 89 108.137 10.526 -3.647 71 1HB SER 89 2HB SER 89 106.772 12.147 -2.461 72 2HB SER 89 1HB SER 89 107.656 11.844 -0.966 73 HG SER 89 HG SER 89 108.858 12.822 -3.340 74 H LYS 90 H LYS 90 109.226 8.227 -2.317 75 HA LYS 90 HA LYS 90 111.785 9.329 -1.356 76 1HB LYS 90 2HB LYS 90 110.606 6.619 -0.719 77 2HB LYS 90 1HB LYS 90 112.097 7.289 -0.070 78 1HG LYS 90 2HG LYS 90 110.246 9.203 0.586 79 2HG LYS 90 1HG LYS 90 109.337 7.701 0.763 80 1HD LYS 90 2HD LYS 90 111.120 6.815 2.209 81 2HD LYS 90 1HD LYS 90 111.987 8.344 2.057 82 1HE LYS 90 2HE LYS 90 110.893 8.908 3.931 83 2HE LYS 90 1HE LYS 90 109.530 9.196 2.850 84 1HZ LYS 90 1HZ LYS 90 109.262 6.590 3.301 85 2HZ LYS 90 2HZ LYS 90 108.514 7.777 4.247 86 3HZ LYS 90 3HZ LYS 90 109.954 7.061 4.770 87 H GLY 91 H GLY 91 112.405 9.484 -3.623 88 1HA GLY 91 2HA GLY 91 112.607 7.121 -5.229 89 2HA GLY 91 1HA GLY 91 113.326 8.685 -5.583 90 H LYS 92 H LYS 92 115.462 8.696 -5.647 91 HA LYS 92 HA LYS 92 116.917 6.585 -4.215 92 1HB LYS 92 2HB LYS 92 117.214 6.717 -6.677 93 2HB LYS 92 1HB LYS 92 117.868 8.338 -6.487 94 1HG LYS 92 2HG LYS 92 119.411 6.860 -4.767 95 2HG LYS 92 1HG LYS 92 119.141 5.748 -6.109 96 1HD LYS 92 2HD LYS 92 119.699 8.152 -7.356 97 2HD LYS 92 1HD LYS 92 120.791 8.141 -5.970 98 1HE LYS 92 2HE LYS 92 122.140 6.867 -7.205 99 2HE LYS 92 1HE LYS 92 120.970 5.568 -6.971 100 1HZ LYS 92 1HZ LYS 92 121.510 7.175 -9.326 101 2HZ LYS 92 2HZ LYS 92 119.875 6.867 -9.020 102 3HZ LYS 92 3HZ LYS 92 120.956 5.581 -9.204 103 H THR 93 H THR 93 116.439 8.071 -2.300 104 HA THR 93 HA THR 93 118.124 10.423 -2.124 105 HB THR 93 HB THR 93 115.898 10.433 -1.089 106 HG1 THR 93 HG1 THR 93 117.302 11.783 -0.084 107 1HG2 THR 93 1HG2 THR 93 116.736 7.924 0.016 108 2HG2 THR 93 2HG2 THR 93 115.138 8.668 -0.003 109 3HG2 THR 93 3HG2 THR 93 116.271 9.043 1.296 110 H GLU 94 H GLU 94 119.019 10.393 0.452 111 HA GLU 94 HA GLU 94 121.384 8.865 0.252 112 1HB GLU 94 2HB GLU 94 120.148 10.560 2.388 113 2HB GLU 94 1HB GLU 94 121.548 9.567 2.772 114 1HG GLU 94 2HG GLU 94 122.858 10.684 1.087 115 2HG GLU 94 1HG GLU 94 121.450 11.608 0.562 116 H GLU 95 H GLU 95 118.268 8.055 1.375 117 HA GLU 95 HA GLU 95 118.954 6.148 3.354 118 1HB GLU 95 2HB GLU 95 116.521 6.844 1.801 119 2HB GLU 95 1HB GLU 95 116.573 5.241 2.521 120 1HG GLU 95 2HG GLU 95 116.595 6.061 4.675 121 2HG GLU 95 1HG GLU 95 117.213 7.636 4.180 122 H GLU 96 H GLU 96 118.084 5.784 -0.083 123 HA GLU 96 HA GLU 96 118.325 3.013 -0.233 124 1HB GLU 96 2HB GLU 96 118.437 3.271 -2.610 125 2HB GLU 96 1HB GLU 96 117.350 4.505 -1.989 126 1HG GLU 96 2HG GLU 96 118.515 5.950 -3.202 127 2HG GLU 96 1HG GLU 96 119.795 5.769 -2.001 128 H LEU 97 H LEU 97 120.772 5.494 -0.220 129 HA LEU 97 HA LEU 97 122.921 4.084 -1.314 130 1HB LEU 97 2HB LEU 97 122.666 6.358 0.601 131 2HB LEU 97 1HB LEU 97 124.238 5.611 0.386 132 HG LEU 97 HG LEU 97 122.616 6.690 -1.913 133 1HD1 LEU 97 1HD1 LEU 97 124.320 8.077 0.055 134 2HD1 LEU 97 2HD1 LEU 97 122.991 8.688 -0.931 135 3HD1 LEU 97 3HD1 LEU 97 124.593 8.480 -1.639 136 1HD2 LEU 97 1HD2 LEU 97 125.583 6.276 -1.764 137 2HD2 LEU 97 2HD2 LEU 97 124.559 6.455 -3.189 138 3HD2 LEU 97 3HD2 LEU 97 124.491 4.975 -2.234 139 H SER 98 H SER 98 121.444 3.918 1.841 140 HA SER 98 HA SER 98 123.528 2.644 3.234 141 1HB SER 98 2HB SER 98 121.262 3.666 4.078 142 2HB SER 98 1HB SER 98 120.656 2.027 3.832 143 HG SER 98 HG SER 98 122.954 2.653 5.371 144 H ASP 99 H ASP 99 121.109 1.442 1.024 145 HA ASP 99 HA ASP 99 121.307 -1.301 1.660 146 1HB ASP 99 2HB ASP 99 120.575 -0.015 -0.978 147 2HB ASP 99 1HB ASP 99 120.261 -1.688 -0.527 148 H LEU 100 H LEU 100 123.000 0.721 -0.706 149 HA LEU 100 HA LEU 100 124.463 -1.302 -1.967 150 1HB LEU 100 2HB LEU 100 125.003 1.626 -1.549 151 2HB LEU 100 1HB LEU 100 126.110 0.601 -2.442 152 HG LEU 100 HG LEU 100 123.769 0.035 -3.705 153 1HD1 LEU 100 1HD1 LEU 100 123.508 2.959 -3.591 154 2HD1 LEU 100 2HD1 LEU 100 122.988 2.100 -2.141 155 3HD1 LEU 100 3HD1 LEU 100 122.270 1.708 -3.704 156 1HD2 LEU 100 1HD2 LEU 100 125.332 2.438 -4.545 157 2HD2 LEU 100 2HD2 LEU 100 124.687 1.119 -5.524 158 3HD2 LEU 100 3HD2 LEU 100 126.105 0.853 -4.507 159 H PHE 101 H PHE 101 125.063 0.486 0.997 160 HA PHE 101 HA PHE 101 127.729 -0.453 1.361 161 1HB PHE 101 2HB PHE 101 126.960 1.606 2.423 162 2HB PHE 101 1HB PHE 101 125.761 0.706 3.346 163 HD1 PHE 101 HD1 PHE 101 126.515 -0.895 5.098 164 HD2 PHE 101 HD2 PHE 101 129.197 1.772 3.145 165 HE1 PHE 101 HE1 PHE 101 128.153 -1.228 6.902 166 HE2 PHE 101 HE2 PHE 101 130.840 1.444 4.947 167 HZ PHE 101 HZ PHE 101 130.320 -0.057 6.828 168 H ARG 102 H ARG 102 124.575 -1.699 2.128 169 HA ARG 102 HA ARG 102 125.298 -3.507 4.161 170 1HB ARG 102 2HB ARG 102 122.975 -2.884 3.723 171 2HB ARG 102 1HB ARG 102 123.044 -3.673 2.153 172 1HG ARG 102 2HG ARG 102 122.716 -5.710 3.023 173 2HG ARG 102 1HG ARG 102 123.770 -5.400 4.405 174 1HD ARG 102 2HD ARG 102 121.465 -3.765 4.676 175 2HD ARG 102 1HD ARG 102 120.928 -5.400 4.297 176 HE ARG 102 HE ARG 102 122.930 -5.276 6.359 177 1HH1 ARG 102 1HH1 ARG 102 119.510 -5.150 5.667 178 2HH1 ARG 102 2HH1 ARG 102 119.045 -5.639 7.261 179 1HH2 ARG 102 1HH2 ARG 102 122.317 -5.916 8.456 180 2HH2 ARG 102 2HH2 ARG 102 120.637 -6.073 8.845 181 H MET 103 H MET 103 124.872 -4.031 0.657 182 HA MET 103 HA MET 103 125.495 -6.728 0.571 183 1HB MET 103 2HB MET 103 126.320 -6.203 -1.794 184 2HB MET 103 1HB MET 103 124.655 -5.796 -1.410 185 1HG MET 103 2HG MET 103 125.155 -3.494 -1.250 186 2HG MET 103 1HG MET 103 126.890 -3.801 -1.258 187 1HE MET 103 1HE MET 103 127.856 -5.383 -3.333 188 2HE MET 103 2HE MET 103 128.328 -3.686 -3.431 189 3HE MET 103 3HE MET 103 127.770 -4.532 -4.875 190 H PHE 104 H PHE 104 127.669 -3.944 0.475 191 HA PHE 104 HA PHE 104 130.053 -5.316 -0.023 192 1HB PHE 104 2HB PHE 104 129.308 -2.666 1.054 193 2HB PHE 104 1HB PHE 104 130.913 -3.242 1.496 194 HD1 PHE 104 HD1 PHE 104 129.203 -1.330 -0.794 195 HD2 PHE 104 HD2 PHE 104 132.184 -4.361 -0.620 196 HE1 PHE 104 HE1 PHE 104 130.059 -0.608 -2.986 197 HE2 PHE 104 HE2 PHE 104 133.045 -3.646 -2.809 198 HZ PHE 104 HZ PHE 104 131.983 -1.766 -3.996 199 H ASP 105 H ASP 105 128.207 -4.904 2.905 200 HA ASP 105 HA ASP 105 130.314 -5.843 4.634 201 1HB ASP 105 2HB ASP 105 127.528 -4.890 4.964 202 2HB ASP 105 1HB ASP 105 128.097 -6.042 6.170 203 H LYS 106 H LYS 106 130.601 -7.860 5.444 204 HA LYS 106 HA LYS 106 129.250 -10.024 4.079 205 1HB LYS 106 2HB LYS 106 131.776 -9.835 4.695 206 2HB LYS 106 1HB LYS 106 131.257 -10.407 6.274 207 1HG LYS 106 2HG LYS 106 131.903 -12.337 5.150 208 2HG LYS 106 1HG LYS 106 130.144 -12.330 5.010 209 1HD LYS 106 2HD LYS 106 130.645 -11.044 2.776 210 2HD LYS 106 1HD LYS 106 132.221 -11.823 2.929 211 1HE LYS 106 2HE LYS 106 131.248 -13.535 1.857 212 2HE LYS 106 1HE LYS 106 130.537 -13.901 3.429 213 1HZ LYS 106 1HZ LYS 106 129.287 -12.354 1.226 214 2HZ LYS 106 2HZ LYS 106 128.618 -12.507 2.772 215 3HZ LYS 106 3HZ LYS 106 128.816 -13.876 1.798 216 H ASN 107 H ASN 107 129.780 -9.081 7.475 217 HA ASN 107 HA ASN 107 127.598 -10.858 8.274 218 1HB ASN 107 2HB ASN 107 128.394 -10.365 10.598 219 2HB ASN 107 1HB ASN 107 129.602 -11.135 9.572 220 1HD2 ASN 107 1HD2 ASN 107 130.381 -9.848 11.821 221 2HD2 ASN 107 2HD2 ASN 107 131.221 -8.393 11.418 222 H ALA 108 H ALA 108 128.090 -7.625 7.499 223 HA ALA 108 HA ALA 108 126.774 -5.777 7.640 224 1HB ALA 108 1HB ALA 108 124.595 -7.381 8.918 225 2HB ALA 108 2HB ALA 108 125.002 -7.617 7.219 226 3HB ALA 108 3HB ALA 108 124.474 -6.032 7.787 227 H ASP 109 H ASP 109 128.524 -5.527 9.424 228 HA ASP 109 HA ASP 109 127.280 -5.299 12.071 229 1HB ASP 109 2HB ASP 109 129.618 -4.975 12.882 230 2HB ASP 109 1HB ASP 109 129.361 -6.522 12.083 231 H GLY 110 H GLY 110 128.418 -3.425 9.410 232 1HA GLY 110 2HA GLY 110 127.430 -1.121 9.447 233 2HA GLY 110 1HA GLY 110 128.156 -0.972 11.039 234 H TYR 111 H TYR 111 130.512 -2.588 9.874 235 HA TYR 111 HA TYR 111 131.723 -0.411 8.312 236 1HB TYR 111 2HB TYR 111 133.106 -1.953 10.516 237 2HB TYR 111 1HB TYR 111 133.810 -0.666 9.542 238 HD1 TYR 111 HD1 TYR 111 133.433 1.624 10.073 239 HD2 TYR 111 HD2 TYR 111 131.313 -1.419 12.159 240 HE1 TYR 111 HE1 TYR 111 132.673 3.288 11.716 241 HE2 TYR 111 HE2 TYR 111 130.546 0.238 13.806 242 HH TYR 111 HH TYR 111 130.177 2.859 13.746 243 H ILE 112 H ILE 112 133.588 -1.071 7.027 244 HA ILE 112 HA ILE 112 133.607 -3.949 6.399 245 HB ILE 112 HB ILE 112 133.781 -1.765 4.321 246 1HG1 ILE 112 2HG1 ILE 112 131.439 -3.617 4.596 247 2HG1 ILE 112 1HG1 ILE 112 131.514 -2.160 5.582 248 1HG2 ILE 112 1HG2 ILE 112 134.056 -4.698 4.304 249 2HG2 ILE 112 2HG2 ILE 112 134.759 -3.481 3.238 250 3HG2 ILE 112 3HG2 ILE 112 133.092 -4.007 2.999 251 1HD1 ILE 112 1HD1 ILE 112 131.274 -0.767 3.778 252 2HD1 ILE 112 2HD1 ILE 112 130.289 -2.146 3.289 253 3HD1 ILE 112 3HD1 ILE 112 131.917 -1.952 2.641 254 H ASP 113 H ASP 113 135.573 -4.833 5.856 255 HA ASP 113 HA ASP 113 137.892 -3.044 5.729 256 1HB ASP 113 2HB ASP 113 139.146 -4.531 7.260 257 2HB ASP 113 1HB ASP 113 137.768 -3.770 8.049 258 H LEU 114 H LEU 114 139.928 -4.436 5.211 259 HA LEU 114 HA LEU 114 139.571 -5.571 2.685 260 1HB LEU 114 2HB LEU 114 141.784 -5.294 4.607 261 2HB LEU 114 1HB LEU 114 141.951 -6.626 3.479 262 HG LEU 114 HG LEU 114 143.077 -4.590 2.690 263 1HD1 LEU 114 1HD1 LEU 114 141.545 -6.310 1.240 264 2HD1 LEU 114 2HD1 LEU 114 142.615 -5.086 0.557 265 3HD1 LEU 114 3HD1 LEU 114 140.893 -4.747 0.747 266 1HD2 LEU 114 1HD2 LEU 114 142.017 -2.700 3.330 267 2HD2 LEU 114 2HD2 LEU 114 140.416 -3.434 3.230 268 3HD2 LEU 114 3HD2 LEU 114 141.225 -2.880 1.765 269 H GLU 115 H GLU 115 139.553 -7.006 5.868 270 HA GLU 115 HA GLU 115 139.849 -9.706 5.054 271 1HB GLU 115 2HB GLU 115 139.958 -8.508 7.436 272 2HB GLU 115 1HB GLU 115 138.287 -9.052 7.500 273 1HG GLU 115 2HG GLU 115 139.195 -11.354 6.882 274 2HG GLU 115 1HG GLU 115 140.783 -10.697 7.280 275 H GLU 116 H GLU 116 136.970 -7.818 5.971 276 HA GLU 116 HA GLU 116 135.148 -9.897 5.281 277 1HB GLU 116 2HB GLU 116 134.983 -7.119 6.243 278 2HB GLU 116 1HB GLU 116 133.625 -7.634 5.253 279 1HG GLU 116 2HG GLU 116 132.943 -9.221 6.765 280 2HG GLU 116 1HG GLU 116 134.546 -9.379 7.484 281 H LEU 117 H LEU 117 136.650 -7.302 3.528 282 HA LEU 117 HA LEU 117 134.791 -7.324 1.343 283 1HB LEU 117 2HB LEU 117 136.390 -5.430 2.128 284 2HB LEU 117 1HB LEU 117 137.590 -6.267 1.161 285 HG LEU 117 HG LEU 117 136.068 -6.037 -0.813 286 1HD1 LEU 117 1HD1 LEU 117 134.040 -5.085 -0.706 287 2HD1 LEU 117 2HD1 LEU 117 134.563 -3.859 0.450 288 3HD1 LEU 117 3HD1 LEU 117 134.134 -5.476 1.012 289 1HD2 LEU 117 1HD2 LEU 117 137.459 -3.870 0.600 290 2HD2 LEU 117 2HD2 LEU 117 136.315 -3.343 -0.637 291 3HD2 LEU 117 3HD2 LEU 117 137.628 -4.441 -1.061 292 H LYS 118 H LYS 118 137.892 -8.837 2.042 293 HA LYS 118 HA LYS 118 138.391 -9.814 -0.562 294 1HB LYS 118 2HB LYS 118 140.039 -11.263 0.479 295 2HB LYS 118 1HB LYS 118 140.128 -9.653 1.179 296 1HG LYS 118 2HG LYS 118 139.429 -10.346 3.218 297 2HG LYS 118 1HG LYS 118 138.407 -11.625 2.556 298 1HD LYS 118 2HD LYS 118 140.857 -12.525 1.846 299 2HD LYS 118 1HD LYS 118 141.243 -11.682 3.347 300 1HE LYS 118 2HE LYS 118 139.157 -12.978 4.253 301 2HE LYS 118 1HE LYS 118 139.485 -14.051 2.893 302 1HZ LYS 118 1HZ LYS 118 140.582 -14.433 5.228 303 2HZ LYS 118 2HZ LYS 118 141.714 -13.320 4.645 304 3HZ LYS 118 3HZ LYS 118 141.432 -14.759 3.801 305 H ILE 119 H ILE 119 136.386 -10.949 2.041 306 HA ILE 119 HA ILE 119 136.108 -13.631 1.107 307 HB ILE 119 HB ILE 119 134.206 -12.091 2.879 308 1HG1 ILE 119 2HG1 ILE 119 136.259 -13.969 3.959 309 2HG1 ILE 119 1HG1 ILE 119 136.777 -12.353 3.492 310 1HG2 ILE 119 1HG2 ILE 119 133.806 -14.507 1.731 311 2HG2 ILE 119 2HG2 ILE 119 133.123 -14.021 3.283 312 3HG2 ILE 119 3HG2 ILE 119 134.599 -14.983 3.234 313 1HD1 ILE 119 1HD1 ILE 119 134.589 -11.778 4.971 314 2HD1 ILE 119 2HD1 ILE 119 136.235 -11.843 5.602 315 3HD1 ILE 119 3HD1 ILE 119 135.169 -13.238 5.774 316 H MET 120 H MET 120 134.082 -10.718 0.848 317 HA MET 120 HA MET 120 132.039 -11.963 -0.674 318 1HB MET 120 2HB MET 120 131.283 -9.659 -1.143 319 2HB MET 120 1HB MET 120 131.597 -9.926 0.567 320 1HG MET 120 2HG MET 120 133.386 -8.524 0.603 321 2HG MET 120 1HG MET 120 133.798 -8.824 -1.084 322 1HE MET 120 1HE MET 120 131.202 -6.813 -3.025 323 2HE MET 120 2HE MET 120 132.059 -8.350 -2.896 324 3HE MET 120 3HE MET 120 132.965 -6.850 -3.092 325 H LEU 121 H LEU 121 135.060 -10.418 -1.500 326 HA LEU 121 HA LEU 121 134.477 -10.160 -4.293 327 1HB LEU 121 2HB LEU 121 136.457 -9.234 -2.546 328 2HB LEU 121 1HB LEU 121 137.302 -10.266 -3.683 329 HG LEU 121 HG LEU 121 135.764 -8.781 -5.374 330 1HD1 LEU 121 1HD1 LEU 121 135.915 -6.459 -4.681 331 2HD1 LEU 121 2HD1 LEU 121 136.605 -6.948 -3.134 332 3HD1 LEU 121 3HD1 LEU 121 134.945 -7.384 -3.537 333 1HD2 LEU 121 1HD2 LEU 121 138.329 -9.303 -5.178 334 2HD2 LEU 121 2HD2 LEU 121 138.391 -7.673 -4.508 335 3HD2 LEU 121 3HD2 LEU 121 137.756 -7.935 -6.131 336 H GLN 122 H GLN 122 135.871 -12.613 -2.244 337 HA GLN 122 HA GLN 122 137.206 -14.149 -4.157 338 1HB GLN 122 2HB GLN 122 136.118 -14.593 -1.450 339 2HB GLN 122 1HB GLN 122 136.312 -16.043 -2.426 340 1HG GLN 122 2HG GLN 122 138.552 -14.083 -2.166 341 2HG GLN 122 1HG GLN 122 138.241 -15.270 -0.899 342 1HE2 GLN 122 1HE2 GLN 122 140.508 -14.948 -2.761 343 2HE2 GLN 122 2HE2 GLN 122 140.658 -16.466 -3.571 344 H ALA 123 H ALA 123 133.814 -13.860 -3.408 345 HA ALA 123 HA ALA 123 132.924 -16.217 -4.695 346 1HB ALA 123 1HB ALA 123 131.292 -13.709 -4.435 347 2HB ALA 123 2HB ALA 123 131.650 -14.742 -3.049 348 3HB ALA 123 3HB ALA 123 130.747 -15.387 -4.420 349 H THR 124 H THR 124 133.722 -13.016 -5.838 350 HA THR 124 HA THR 124 132.417 -13.037 -8.308 351 HB THR 124 HB THR 124 133.886 -11.276 -8.959 352 HG1 THR 124 HG1 THR 124 135.885 -12.099 -8.563 353 1HG2 THR 124 1HG2 THR 124 133.808 -9.745 -7.175 354 2HG2 THR 124 2HG2 THR 124 133.834 -11.032 -5.969 355 3HG2 THR 124 3HG2 THR 124 132.407 -10.799 -6.979 356 H GLY 125 H GLY 125 133.927 -12.890 -10.412 357 1HA GLY 125 2HA GLY 125 135.216 -15.534 -10.565 358 2HA GLY 125 1HA GLY 125 134.498 -14.678 -11.920 359 H GLU 126 H GLU 126 135.748 -12.126 -11.141 360 HA GLU 126 HA GLU 126 138.106 -12.342 -12.668 361 1HB GLU 126 2HB GLU 126 136.996 -10.173 -10.898 362 2HB GLU 126 1HB GLU 126 138.540 -9.991 -11.722 363 1HG GLU 126 2HG GLU 126 136.753 -10.852 -13.684 364 2HG GLU 126 1HG GLU 126 135.871 -9.658 -12.733 365 H THR 127 H THR 127 140.230 -12.506 -12.129 366 HA THR 127 HA THR 127 140.845 -13.554 -9.521 367 HB THR 127 HB THR 127 143.089 -13.898 -10.405 368 HG1 THR 127 HG1 THR 127 143.749 -13.025 -12.280 369 1HG2 THR 127 1HG2 THR 127 142.378 -14.951 -12.729 370 2HG2 THR 127 2HG2 THR 127 140.769 -14.721 -12.041 371 3HG2 THR 127 3HG2 THR 127 141.964 -15.696 -11.186 372 H ILE 128 H ILE 128 140.627 -11.934 -8.016 373 HA ILE 128 HA ILE 128 142.291 -9.536 -8.369 374 HB ILE 128 HB ILE 128 140.124 -9.951 -6.313 375 1HG1 ILE 128 2HG1 ILE 128 139.127 -10.076 -8.530 376 2HG1 ILE 128 1HG1 ILE 128 138.711 -8.540 -7.779 377 1HG2 ILE 128 1HG2 ILE 128 141.677 -8.250 -5.667 378 2HG2 ILE 128 2HG2 ILE 128 140.199 -7.462 -6.221 379 3HG2 ILE 128 3HG2 ILE 128 141.617 -7.516 -7.270 380 1HD1 ILE 128 1HD1 ILE 128 140.858 -8.966 -9.843 381 2HD1 ILE 128 2HD1 ILE 128 140.426 -7.426 -9.100 382 3HD1 ILE 128 3HD1 ILE 128 139.265 -8.266 -10.128 383 H THR 129 H THR 129 143.951 -9.100 -7.025 384 HA THR 129 HA THR 129 144.734 -11.178 -5.152 385 HB THR 129 HB THR 129 146.261 -8.655 -5.772 386 HG1 THR 129 HG1 THR 129 146.234 -9.410 -7.745 387 1HG2 THR 129 1HG2 THR 129 147.374 -9.740 -4.058 388 2HG2 THR 129 2HG2 THR 129 148.187 -10.329 -5.507 389 3HG2 THR 129 3HG2 THR 129 146.995 -11.341 -4.690 390 H GLU 130 H GLU 130 145.610 -10.553 -3.009 391 HA GLU 130 HA GLU 130 143.682 -9.232 -1.469 392 1HB GLU 130 2HB GLU 130 145.435 -9.309 0.344 393 2HB GLU 130 1HB GLU 130 145.065 -10.854 -0.409 394 1HG GLU 130 2HG GLU 130 147.247 -11.110 -0.687 395 2HG GLU 130 1HG GLU 130 147.147 -9.865 -1.930 396 H ASP 131 H ASP 131 146.690 -8.100 -2.891 397 HA ASP 131 HA ASP 131 146.739 -5.595 -1.542 398 1HB ASP 131 2HB ASP 131 148.634 -6.881 -2.828 399 2HB ASP 131 1HB ASP 131 148.019 -5.997 -4.221 400 H ASP 132 H ASP 132 145.294 -6.759 -4.507 401 HA ASP 132 HA ASP 132 144.708 -4.250 -5.663 402 1HB ASP 132 2HB ASP 132 143.591 -7.019 -6.023 403 2HB ASP 132 1HB ASP 132 142.884 -5.642 -6.865 404 H ILE 133 H ILE 133 143.125 -6.171 -3.222 405 HA ILE 133 HA ILE 133 140.634 -4.759 -3.317 406 HB ILE 133 HB ILE 133 141.704 -6.417 -1.035 407 1HG1 ILE 133 2HG1 ILE 133 139.945 -7.395 -3.285 408 2HG1 ILE 133 1HG1 ILE 133 141.697 -7.561 -3.316 409 1HG2 ILE 133 1HG2 ILE 133 138.830 -6.088 -1.808 410 2HG2 ILE 133 2HG2 ILE 133 139.639 -4.883 -0.804 411 3HG2 ILE 133 3HG2 ILE 133 139.521 -6.555 -0.254 412 1HD1 ILE 133 1HD1 ILE 133 141.706 -9.190 -1.745 413 2HD1 ILE 133 2HD1 ILE 133 140.099 -9.469 -2.417 414 3HD1 ILE 133 3HD1 ILE 133 140.283 -8.559 -0.918 415 H GLU 134 H GLU 134 143.656 -4.390 -1.614 416 HA GLU 134 HA GLU 134 142.798 -2.712 0.468 417 1HB GLU 134 2HB GLU 134 145.333 -3.536 -0.703 418 2HB GLU 134 1HB GLU 134 145.375 -1.872 -0.141 419 1HG GLU 134 2HG GLU 134 144.242 -2.976 1.992 420 2HG GLU 134 1HG GLU 134 145.107 -4.389 1.388 421 H GLU 135 H GLU 135 143.714 -2.040 -2.862 422 HA GLU 135 HA GLU 135 143.833 0.771 -2.643 423 1HB GLU 135 2HB GLU 135 143.625 -1.190 -4.867 424 2HB GLU 135 1HB GLU 135 143.184 0.475 -5.221 425 1HG GLU 135 2HG GLU 135 145.505 0.907 -3.974 426 2HG GLU 135 1HG GLU 135 145.820 -0.706 -4.611 427 H LEU 136 H LEU 136 141.195 -1.471 -3.243 428 HA LEU 136 HA LEU 136 139.258 0.374 -4.087 429 1HB LEU 136 2HB LEU 136 139.361 -2.346 -3.674 430 2HB LEU 136 1HB LEU 136 138.232 -1.817 -2.441 431 HG LEU 136 HG LEU 136 137.674 -0.639 -5.054 432 1HD1 LEU 136 1HD1 LEU 136 138.548 -2.741 -5.882 433 2HD1 LEU 136 2HD1 LEU 136 136.794 -2.703 -6.054 434 3HD1 LEU 136 3HD1 LEU 136 137.532 -3.634 -4.751 435 1HD2 LEU 136 1HD2 LEU 136 135.435 -1.855 -4.405 436 2HD2 LEU 136 2HD2 LEU 136 135.953 -0.391 -3.565 437 3HD2 LEU 136 3HD2 LEU 136 136.216 -1.971 -2.827 438 H MET 137 H MET 137 140.420 -0.491 -0.906 439 HA MET 137 HA MET 137 138.315 1.003 0.428 440 1HB MET 137 2HB MET 137 140.756 -0.361 1.580 441 2HB MET 137 1HB MET 137 139.407 0.294 2.500 442 1HG MET 137 2HG MET 137 139.302 -2.009 0.565 443 2HG MET 137 1HG MET 137 139.231 -2.107 2.324 444 1HE MET 137 1HE MET 137 137.156 -0.742 3.707 445 2HE MET 137 2HE MET 137 137.173 -2.491 3.476 446 3HE MET 137 3HE MET 137 135.681 -1.583 3.230 447 H LYS 138 H LYS 138 141.563 1.475 -0.665 448 HA LYS 138 HA LYS 138 142.474 3.480 1.018 449 1HB LYS 138 2HB LYS 138 143.026 2.658 -1.775 450 2HB LYS 138 1HB LYS 138 143.531 4.282 -1.330 451 1HG LYS 138 2HG LYS 138 144.679 3.191 0.671 452 2HG LYS 138 1HG LYS 138 144.429 1.664 -0.180 453 1HD LYS 138 2HD LYS 138 145.585 2.704 -2.159 454 2HD LYS 138 1HD LYS 138 146.007 4.057 -1.109 455 1HE LYS 138 2HE LYS 138 147.227 2.575 0.365 456 2HE LYS 138 1HE LYS 138 146.734 1.177 -0.589 457 1HZ LYS 138 1HZ LYS 138 148.209 1.653 -2.224 458 2HZ LYS 138 2HZ LYS 138 149.049 2.361 -0.939 459 3HZ LYS 138 3HZ LYS 138 148.134 3.327 -1.983 460 H ASP 139 H ASP 139 140.595 3.821 -1.988 461 HA ASP 139 HA ASP 139 140.275 6.663 -1.545 462 1HB ASP 139 2HB ASP 139 139.224 6.733 -3.684 463 2HB ASP 139 1HB ASP 139 140.585 5.626 -3.824 464 H GLY 140 H GLY 140 138.584 3.791 -0.747 465 1HA GLY 140 2HA GLY 140 135.981 5.032 -0.559 466 2HA GLY 140 1HA GLY 140 136.405 3.407 -0.043 467 H ASP 141 H ASP 141 138.688 4.478 1.557 468 HA ASP 141 HA ASP 141 137.102 5.226 3.900 469 1HB ASP 141 2HB ASP 141 138.682 3.264 3.977 470 2HB ASP 141 1HB ASP 141 140.011 4.409 3.811 471 H LYS 142 H LYS 142 137.029 7.266 4.545 472 HA LYS 142 HA LYS 142 139.163 9.096 3.673 473 1HB LYS 142 2HB LYS 142 136.322 9.719 4.502 474 2HB LYS 142 1HB LYS 142 137.517 10.903 3.994 475 1HG LYS 142 2HG LYS 142 136.834 8.645 2.172 476 2HG LYS 142 1HG LYS 142 135.735 10.020 2.314 477 1HD LYS 142 2HD LYS 142 137.654 11.522 1.799 478 2HD LYS 142 1HD LYS 142 138.638 10.087 1.502 479 1HE LYS 142 2HE LYS 142 137.104 9.400 -0.273 480 2HE LYS 142 1HE LYS 142 136.111 10.825 0.029 481 1HZ LYS 142 1HZ LYS 142 138.953 11.212 -0.566 482 2HZ LYS 142 2HZ LYS 142 137.632 12.203 -0.927 483 3HZ LYS 142 3HZ LYS 142 137.918 10.811 -1.842 484 H ASN 143 H ASN 143 138.867 7.293 6.165 485 HA ASN 143 HA ASN 143 139.336 9.415 8.155 486 1HB ASN 143 2HB ASN 143 137.940 6.786 8.341 487 2HB ASN 143 1HB ASN 143 138.826 7.353 9.754 488 1HD2 ASN 143 1HD2 ASN 143 137.994 8.955 10.975 489 2HD2 ASN 143 2HD2 ASN 143 136.476 9.722 10.672 490 H ASN 144 H ASN 144 140.720 6.813 6.450 491 HA ASN 144 HA ASN 144 142.792 5.883 6.473 492 1HB ASN 144 2HB ASN 144 143.147 8.417 7.923 493 2HB ASN 144 1HB ASN 144 144.352 7.192 8.307 494 1HD2 ASN 144 1HD2 ASN 144 146.066 7.154 7.059 495 2HD2 ASN 144 2HD2 ASN 144 146.163 7.751 5.440 496 H ASP 145 H ASP 145 140.687 5.010 8.303 497 HA ASP 145 HA ASP 145 142.194 4.067 10.626 498 1HB ASP 145 2HB ASP 145 140.020 3.303 11.479 499 2HB ASP 145 1HB ASP 145 139.969 5.009 11.043 500 H GLY 146 H GLY 146 140.946 2.985 7.587 501 1HA GLY 146 2HA GLY 146 141.846 1.003 6.579 502 2HA GLY 146 1HA GLY 146 141.979 0.295 8.182 503 H ARG 147 H ARG 147 139.070 1.993 7.471 504 HA ARG 147 HA ARG 147 137.655 -0.307 6.456 505 1HB ARG 147 2HB ARG 147 136.922 0.751 9.191 506 2HB ARG 147 1HB ARG 147 136.134 -0.559 8.323 507 1HG ARG 147 2HG ARG 147 138.253 -1.845 8.448 508 2HG ARG 147 1HG ARG 147 138.923 -0.555 9.452 509 1HD ARG 147 2HD ARG 147 136.928 -0.921 10.983 510 2HD ARG 147 1HD ARG 147 136.630 -2.399 10.070 511 HE ARG 147 HE ARG 147 139.223 -2.640 10.788 512 1HH1 ARG 147 1HH1 ARG 147 136.313 -1.945 12.586 513 2HH1 ARG 147 2HH1 ARG 147 136.889 -2.680 14.043 514 1HH2 ARG 147 1HH2 ARG 147 139.983 -3.606 12.707 515 2HH2 ARG 147 2HH2 ARG 147 138.972 -3.621 14.113 516 H ILE 148 H ILE 148 135.305 0.178 6.165 517 HA ILE 148 HA ILE 148 134.867 3.070 5.785 518 HB ILE 148 HB ILE 148 133.773 0.893 4.004 519 1HG1 ILE 148 2HG1 ILE 148 136.111 2.757 3.535 520 2HG1 ILE 148 1HG1 ILE 148 136.218 1.018 3.795 521 1HG2 ILE 148 1HG2 ILE 148 133.840 3.892 3.698 522 2HG2 ILE 148 2HG2 ILE 148 132.423 2.920 4.090 523 3HG2 ILE 148 3HG2 ILE 148 133.202 2.747 2.517 524 1HD1 ILE 148 1HD1 ILE 148 134.644 2.171 1.523 525 2HD1 ILE 148 2HD1 ILE 148 135.280 0.537 1.715 526 3HD1 ILE 148 3HD1 ILE 148 136.380 1.880 1.405 527 H ASP 149 H ASP 149 132.801 3.869 6.169 528 HA ASP 149 HA ASP 149 130.834 1.988 7.274 529 1HB ASP 149 2HB ASP 149 130.349 3.539 9.117 530 2HB ASP 149 1HB ASP 149 132.023 2.992 9.170 531 H TYR 150 H TYR 150 128.786 3.563 7.882 532 HA TYR 150 HA TYR 150 127.652 4.223 5.411 533 1HB TYR 150 2HB TYR 150 126.358 3.643 7.447 534 2HB TYR 150 1HB TYR 150 126.798 5.199 8.144 535 HD1 TYR 150 HD1 TYR 150 125.566 7.143 7.637 536 HD2 TYR 150 HD2 TYR 150 124.958 3.612 5.343 537 HE1 TYR 150 HE1 TYR 150 123.607 8.179 6.571 538 HE2 TYR 150 HE2 TYR 150 122.998 4.639 4.269 539 HH TYR 150 HH TYR 150 122.065 6.810 3.830 540 H ASP 151 H ASP 151 128.987 6.318 7.951 541 HA ASP 151 HA ASP 151 128.428 8.775 6.744 542 1HB ASP 151 2HB ASP 151 130.538 7.889 8.698 543 2HB ASP 151 1HB ASP 151 130.478 9.549 8.114 544 H GLU 152 H GLU 152 131.352 6.760 6.545 545 HA GLU 152 HA GLU 152 132.712 8.500 4.755 546 1HB GLU 152 2HB GLU 152 133.203 5.545 5.132 547 2HB GLU 152 1HB GLU 152 134.344 6.750 4.549 548 1HG GLU 152 2HG GLU 152 134.358 7.815 6.736 549 2HG GLU 152 1HG GLU 152 133.185 6.638 7.326 550 H PHE 153 H PHE 153 130.765 5.579 4.322 551 HA PHE 153 HA PHE 153 131.180 5.261 1.564 552 1HB PHE 153 2HB PHE 153 130.169 3.546 3.059 553 2HB PHE 153 1HB PHE 153 128.709 4.525 3.144 554 HD1 PHE 153 HD1 PHE 153 126.990 4.040 1.702 555 HD2 PHE 153 HD2 PHE 153 130.964 2.983 0.606 556 HE1 PHE 153 HE1 PHE 153 126.135 2.938 -0.325 557 HE2 PHE 153 HE2 PHE 153 130.116 1.879 -1.423 558 HZ PHE 153 HZ PHE 153 127.698 1.856 -1.891 559 H LEU 154 H LEU 154 128.917 7.237 3.386 560 HA LEU 154 HA LEU 154 127.221 7.970 1.271 561 1HB LEU 154 2HB LEU 154 127.628 8.709 4.014 562 2HB LEU 154 1HB LEU 154 127.411 10.157 3.049 563 HG LEU 154 HG LEU 154 125.300 9.324 4.015 564 1HD1 LEU 154 1HD1 LEU 154 124.027 9.250 1.836 565 2HD1 LEU 154 2HD1 LEU 154 125.590 9.320 1.022 566 3HD1 LEU 154 3HD1 LEU 154 125.080 10.645 2.068 567 1HD2 LEU 154 1HD2 LEU 154 124.301 7.271 3.063 568 2HD2 LEU 154 2HD2 LEU 154 125.743 6.954 4.029 569 3HD2 LEU 154 3HD2 LEU 154 125.838 6.925 2.269 570 H GLU 155 H GLU 155 130.220 9.397 2.480 571 HA GLU 155 HA GLU 155 130.162 11.635 0.712 572 1HB GLU 155 2HB GLU 155 132.498 10.415 2.195 573 2HB GLU 155 1HB GLU 155 132.477 12.002 1.438 574 1HG GLU 155 2HG GLU 155 130.625 12.634 2.979 575 2HG GLU 155 1HG GLU 155 130.858 11.092 3.802 576 H PHE 156 H PHE 156 131.787 8.489 0.666 577 HA PHE 156 HA PHE 156 133.275 8.924 -1.690 578 1HB PHE 156 2HB PHE 156 133.683 7.099 -0.014 579 2HB PHE 156 1HB PHE 156 132.265 6.271 -0.648 580 HD1 PHE 156 HD1 PHE 156 132.797 4.488 -1.974 581 HD2 PHE 156 HD2 PHE 156 135.237 7.970 -2.144 582 HE1 PHE 156 HE1 PHE 156 134.191 3.422 -3.698 583 HE2 PHE 156 HE2 PHE 156 136.636 6.911 -3.869 584 HZ PHE 156 HZ PHE 156 136.112 4.634 -4.648 585 H MET 157 H MET 157 130.079 7.508 -1.124 586 HA MET 157 HA MET 157 129.625 6.836 -3.856 587 1HB MET 157 2HB MET 157 128.005 6.884 -1.361 588 2HB MET 157 1HB MET 157 127.135 6.904 -2.888 589 1HG MET 157 2HG MET 157 129.194 4.847 -2.126 590 2HG MET 157 1HG MET 157 127.453 4.643 -1.940 591 1HE MET 157 1HE MET 157 126.210 4.697 -5.640 592 2HE MET 157 2HE MET 157 126.224 5.969 -4.417 593 3HE MET 157 3HE MET 157 125.757 4.325 -3.977 594 H LYS 158 H LYS 158 128.784 9.585 -1.808 595 HA LYS 158 HA LYS 158 127.234 10.885 -3.852 596 1HB LYS 158 2HB LYS 158 126.887 11.177 -1.372 597 2HB LYS 158 1HB LYS 158 128.376 12.111 -1.339 598 1HG LYS 158 2HG LYS 158 127.066 13.880 -1.671 599 2HG LYS 158 1HG LYS 158 126.975 13.331 -3.345 600 1HD LYS 158 2HD LYS 158 124.878 12.398 -3.063 601 2HD LYS 158 1HD LYS 158 125.078 12.224 -1.318 602 1HE LYS 158 2HE LYS 158 123.501 13.978 -1.710 603 2HE LYS 158 1HE LYS 158 124.998 14.709 -1.134 604 1HZ LYS 158 1HZ LYS 158 125.376 15.710 -3.107 605 2HZ LYS 158 2HZ LYS 158 123.695 15.589 -3.255 606 3HZ LYS 158 3HZ LYS 158 124.694 14.458 -4.019 607 H GLY 159 H GLY 159 129.125 10.556 -5.405 608 1HA GLY 159 2HA GLY 159 130.270 12.105 -6.837 609 2HA GLY 159 1HA GLY 159 130.696 13.046 -5.415 610 H VAL 160 H VAL 160 131.287 9.960 -7.046 611 HA VAL 160 HA VAL 160 133.618 9.366 -5.486 612 HB VAL 160 HB VAL 160 132.828 8.147 -8.133 613 1HG1 VAL 160 1HG1 VAL 160 135.123 7.691 -7.376 614 2HG1 VAL 160 2HG1 VAL 160 134.123 6.238 -7.384 615 3HG1 VAL 160 3HG1 VAL 160 134.484 7.052 -5.862 616 1HG2 VAL 160 1HG2 VAL 160 132.129 7.023 -5.438 617 2HG2 VAL 160 2HG2 VAL 160 131.486 6.584 -7.021 618 3HG2 VAL 160 3HG2 VAL 160 131.049 8.128 -6.289 619 H GLU 161 H GLU 161 133.189 10.105 -8.954 620 HA GLU 161 HA GLU 161 135.953 10.537 -9.412 621 1HB GLU 161 2HB GLU 161 135.191 11.515 -11.576 622 2HB GLU 161 1HB GLU 161 134.538 9.915 -11.252 623 1HG GLU 161 2HG GLU 161 132.671 11.683 -10.189 624 2HG GLU 161 1HG GLU 161 133.169 12.404 -11.717 Start of MODEL 13 1 1H MET 81 1HT MET 81 94.014 11.381 -7.502 2 2H MET 81 2HT MET 81 93.304 12.932 -7.311 3 3H MET 81 3HT MET 81 92.342 11.520 -7.157 4 HA MET 81 HA MET 81 92.981 12.645 -5.063 5 1HB MET 81 2HB MET 81 93.381 9.776 -5.790 6 2HB MET 81 1HB MET 81 93.810 10.287 -4.164 7 1HG MET 81 2HG MET 81 91.693 10.207 -3.543 8 2HG MET 81 1HG MET 81 91.247 11.349 -4.807 9 1HE MET 81 1HE MET 81 92.263 7.944 -3.943 10 2HE MET 81 2HE MET 81 91.947 6.987 -5.390 11 3HE MET 81 3HE MET 81 90.711 7.130 -4.141 12 H VAL 82 H VAL 82 94.585 13.211 -3.644 13 HA VAL 82 HA VAL 82 97.337 12.971 -4.660 14 HB VAL 82 HB VAL 82 96.349 14.962 -2.620 15 1HG1 VAL 82 1HG1 VAL 82 98.430 15.814 -2.597 16 2HG1 VAL 82 2HG1 VAL 82 98.667 15.553 -4.325 17 3HG1 VAL 82 3HG1 VAL 82 98.892 14.219 -3.195 18 1HG2 VAL 82 1HG2 VAL 82 95.184 15.814 -4.358 19 2HG2 VAL 82 2HG2 VAL 82 96.161 14.975 -5.563 20 3HG2 VAL 82 3HG2 VAL 82 96.761 16.457 -4.821 21 H ARG 83 H ARG 83 95.237 12.261 -1.993 22 HA ARG 83 HA ARG 83 97.480 11.498 -0.281 23 1HB ARG 83 2HB ARG 83 94.506 11.640 0.227 24 2HB ARG 83 1HB ARG 83 95.673 11.062 1.409 25 1HG ARG 83 2HG ARG 83 96.814 13.286 1.231 26 2HG ARG 83 1HG ARG 83 95.447 13.829 0.254 27 1HD ARG 83 2HD ARG 83 94.900 14.525 2.411 28 2HD ARG 83 1HD ARG 83 93.990 13.030 2.206 29 HE ARG 83 HE ARG 83 96.579 12.697 3.430 30 1HH1 ARG 83 1HH1 ARG 83 93.187 13.312 3.981 31 2HH1 ARG 83 2HH1 ARG 83 93.223 12.744 5.616 32 1HH2 ARG 83 1HH2 ARG 83 96.627 11.953 5.581 33 2HH2 ARG 83 2HH2 ARG 83 95.174 11.973 6.525 34 H CYS 84 H CYS 84 97.213 9.962 -2.590 35 HA CYS 84 HA CYS 84 96.695 7.350 -1.400 36 1HB CYS 84 2HB CYS 84 95.170 8.531 -3.656 37 2HB CYS 84 1HB CYS 84 95.648 6.845 -3.825 38 HG CYS 84 HG CYS 84 94.284 6.341 -1.630 39 H MET 85 H MET 85 97.723 9.058 -4.346 40 HA MET 85 HA MET 85 99.430 6.913 -5.186 41 1HB MET 85 2HB MET 85 98.666 9.580 -6.196 42 2HB MET 85 1HB MET 85 100.283 9.047 -6.637 43 1HG MET 85 2HG MET 85 98.670 6.840 -7.115 44 2HG MET 85 1HG MET 85 97.716 8.217 -7.663 45 1HE MET 85 1HE MET 85 99.547 10.293 -9.245 46 2HE MET 85 2HE MET 85 97.999 9.504 -9.543 47 3HE MET 85 3HE MET 85 99.273 9.436 -10.762 48 H LYS 86 H LYS 86 101.772 7.910 -5.943 49 HA LYS 86 HA LYS 86 103.242 8.072 -3.522 50 1HB LYS 86 2HB LYS 86 104.160 8.613 -6.351 51 2HB LYS 86 1HB LYS 86 105.208 8.328 -4.968 52 1HG LYS 86 2HG LYS 86 104.675 6.078 -4.862 53 2HG LYS 86 1HG LYS 86 103.177 6.287 -5.771 54 1HD LYS 86 2HD LYS 86 105.631 7.041 -7.208 55 2HD LYS 86 1HD LYS 86 105.483 5.326 -6.822 56 1HE LYS 86 2HE LYS 86 103.593 5.060 -8.116 57 2HE LYS 86 1HE LYS 86 103.153 6.764 -8.007 58 1HZ LYS 86 1HZ LYS 86 104.938 7.316 -9.502 59 2HZ LYS 86 2HZ LYS 86 103.960 6.134 -10.218 60 3HZ LYS 86 3HZ LYS 86 105.457 5.705 -9.553 61 H ASP 87 H ASP 87 102.695 9.871 -2.342 62 HA ASP 87 HA ASP 87 102.520 12.486 -3.443 63 1HB ASP 87 2HB ASP 87 102.586 13.203 -1.022 64 2HB ASP 87 1HB ASP 87 101.322 12.045 -1.422 65 H ASP 88 H ASP 88 105.098 10.620 -1.970 66 HA ASP 88 HA ASP 88 106.906 12.913 -2.067 67 1HB ASP 88 2HB ASP 88 106.789 10.408 -0.563 68 2HB ASP 88 1HB ASP 88 108.396 10.750 -1.198 69 H SER 89 H SER 89 108.657 13.052 -3.406 70 HA SER 89 HA SER 89 108.570 11.498 -5.814 71 1HB SER 89 2HB SER 89 109.621 14.012 -5.028 72 2HB SER 89 1HB SER 89 110.972 13.055 -5.635 73 HG SER 89 HG SER 89 109.607 12.621 -7.500 74 H LYS 90 H LYS 90 109.524 9.608 -6.126 75 HA LYS 90 HA LYS 90 111.307 8.472 -4.217 76 1HB LYS 90 2HB LYS 90 109.893 7.605 -6.613 77 2HB LYS 90 1HB LYS 90 111.508 6.917 -6.514 78 1HG LYS 90 2HG LYS 90 111.041 5.754 -4.580 79 2HG LYS 90 1HG LYS 90 109.711 6.825 -4.133 80 1HD LYS 90 2HD LYS 90 108.614 4.900 -4.831 81 2HD LYS 90 1HD LYS 90 108.574 5.919 -6.271 82 1HE LYS 90 2HE LYS 90 109.876 4.516 -7.441 83 2HE LYS 90 1HE LYS 90 110.960 4.239 -6.078 84 1HZ LYS 90 1HZ LYS 90 108.447 2.842 -6.748 85 2HZ LYS 90 2HZ LYS 90 109.057 2.816 -5.171 86 3HZ LYS 90 3HZ LYS 90 109.977 2.186 -6.442 87 H GLY 91 H GLY 91 112.963 10.145 -4.235 88 1HA GLY 91 2HA GLY 91 114.702 10.101 -6.606 89 2HA GLY 91 1HA GLY 91 114.738 11.313 -5.337 90 H LYS 92 H LYS 92 117.102 10.343 -6.055 91 HA LYS 92 HA LYS 92 117.858 8.028 -4.530 92 1HB LYS 92 2HB LYS 92 119.388 10.066 -6.130 93 2HB LYS 92 1HB LYS 92 120.210 8.841 -5.175 94 1HG LYS 92 2HG LYS 92 119.896 7.303 -6.738 95 2HG LYS 92 1HG LYS 92 118.167 7.650 -6.818 96 1HD LYS 92 2HD LYS 92 119.901 9.671 -8.064 97 2HD LYS 92 1HD LYS 92 119.922 8.088 -8.843 98 1HE LYS 92 2HE LYS 92 117.431 8.162 -8.900 99 2HE LYS 92 1HE LYS 92 117.513 9.814 -8.291 100 1HZ LYS 92 1HZ LYS 92 117.390 9.300 -10.848 101 2HZ LYS 92 2HZ LYS 92 119.066 9.157 -10.682 102 3HZ LYS 92 3HZ LYS 92 118.296 10.602 -10.260 103 H THR 93 H THR 93 117.448 8.405 -2.377 104 HA THR 93 HA THR 93 118.725 10.728 -1.126 105 HB THR 93 HB THR 93 117.357 9.488 0.889 106 HG1 THR 93 HG1 THR 93 115.335 8.916 -0.058 107 1HG2 THR 93 1HG2 THR 93 116.778 11.655 0.819 108 2HG2 THR 93 2HG2 THR 93 115.381 11.032 -0.058 109 3HG2 THR 93 3HG2 THR 93 116.750 11.705 -0.944 110 H GLU 94 H GLU 94 119.233 9.955 1.375 111 HA GLU 94 HA GLU 94 121.656 8.541 1.161 112 1HB GLU 94 2HB GLU 94 120.180 9.926 3.215 113 2HB GLU 94 1HB GLU 94 120.851 8.432 3.855 114 1HG GLU 94 2HG GLU 94 122.835 9.380 4.033 115 2HG GLU 94 1HG GLU 94 122.855 9.701 2.301 116 H GLU 95 H GLU 95 118.408 7.540 2.033 117 HA GLU 95 HA GLU 95 118.945 5.064 3.179 118 1HB GLU 95 2HB GLU 95 116.651 4.430 2.279 119 2HB GLU 95 1HB GLU 95 116.725 5.856 3.306 120 1HG GLU 95 2HG GLU 95 117.095 6.803 0.709 121 2HG GLU 95 1HG GLU 95 115.818 5.594 0.590 122 H GLU 96 H GLU 96 119.177 6.080 -0.119 123 HA GLU 96 HA GLU 96 118.996 3.534 -1.351 124 1HB GLU 96 2HB GLU 96 120.532 5.923 -2.376 125 2HB GLU 96 1HB GLU 96 119.861 4.599 -3.320 126 1HG GLU 96 2HG GLU 96 117.953 6.152 -1.691 127 2HG GLU 96 1HG GLU 96 118.679 6.980 -3.068 128 H LEU 97 H LEU 97 121.845 5.570 -0.662 129 HA LEU 97 HA LEU 97 123.770 3.666 -1.353 130 1HB LEU 97 2HB LEU 97 123.839 6.038 0.496 131 2HB LEU 97 1HB LEU 97 125.255 5.040 0.219 132 HG LEU 97 HG LEU 97 123.759 6.431 -1.998 133 1HD1 LEU 97 1HD1 LEU 97 125.982 7.377 -0.234 134 2HD1 LEU 97 2HD1 LEU 97 124.543 8.237 -0.780 135 3HD1 LEU 97 3HD1 LEU 97 125.866 7.930 -1.905 136 1HD2 LEU 97 1HD2 LEU 97 126.619 5.641 -2.134 137 2HD2 LEU 97 2HD2 LEU 97 125.400 5.711 -3.408 138 3HD2 LEU 97 3HD2 LEU 97 125.403 4.370 -2.263 139 H SER 98 H SER 98 121.927 4.100 1.576 140 HA SER 98 HA SER 98 123.499 2.651 3.372 141 1HB SER 98 2HB SER 98 121.615 2.590 4.779 142 2HB SER 98 1HB SER 98 121.364 4.039 3.807 143 HG SER 98 HG SER 98 119.465 2.975 3.703 144 H ASP 99 H ASP 99 121.360 1.584 0.831 145 HA ASP 99 HA ASP 99 121.235 -1.142 1.723 146 1HB ASP 99 2HB ASP 99 120.274 0.391 -0.641 147 2HB ASP 99 1HB ASP 99 120.466 -1.351 -0.829 148 H LEU 100 H LEU 100 123.196 0.711 -0.525 149 HA LEU 100 HA LEU 100 124.455 -1.476 -1.797 150 1HB LEU 100 2HB LEU 100 125.285 1.394 -1.412 151 2HB LEU 100 1HB LEU 100 126.237 0.248 -2.339 152 HG LEU 100 HG LEU 100 123.360 0.829 -3.003 153 1HD1 LEU 100 1HD1 LEU 100 125.839 2.315 -3.803 154 2HD1 LEU 100 2HD1 LEU 100 124.310 2.955 -3.200 155 3HD1 LEU 100 3HD1 LEU 100 124.405 2.282 -4.828 156 1HD2 LEU 100 1HD2 LEU 100 125.649 -0.253 -4.642 157 2HD2 LEU 100 2HD2 LEU 100 123.983 -0.041 -5.181 158 3HD2 LEU 100 3HD2 LEU 100 124.360 -1.218 -3.922 159 H PHE 101 H PHE 101 125.091 0.248 1.180 160 HA PHE 101 HA PHE 101 127.701 -0.820 1.600 161 1HB PHE 101 2HB PHE 101 126.991 1.258 2.675 162 2HB PHE 101 1HB PHE 101 125.740 0.392 3.560 163 HD1 PHE 101 HD1 PHE 101 129.411 0.654 3.122 164 HD2 PHE 101 HD2 PHE 101 126.202 -0.598 5.620 165 HE1 PHE 101 HE1 PHE 101 131.003 0.226 4.947 166 HE2 PHE 101 HE2 PHE 101 127.789 -1.028 7.450 167 HZ PHE 101 HZ PHE 101 130.193 -0.615 7.115 168 H ARG 102 H ARG 102 124.462 -1.895 2.332 169 HA ARG 102 HA ARG 102 125.073 -3.790 4.321 170 1HB ARG 102 2HB ARG 102 122.780 -2.932 3.684 171 2HB ARG 102 1HB ARG 102 122.843 -4.012 2.298 172 1HG ARG 102 2HG ARG 102 123.366 -5.809 4.153 173 2HG ARG 102 1HG ARG 102 122.541 -4.639 5.186 174 1HD ARG 102 2HD ARG 102 120.591 -4.701 3.749 175 2HD ARG 102 1HD ARG 102 121.419 -5.783 2.630 176 HE ARG 102 HE ARG 102 120.859 -7.524 3.988 177 1HH1 ARG 102 1HH1 ARG 102 120.656 -4.578 5.846 178 2HH1 ARG 102 2HH1 ARG 102 120.005 -5.357 7.247 179 1HH2 ARG 102 1HH2 ARG 102 120.002 -8.554 5.831 180 2HH2 ARG 102 2HH2 ARG 102 119.634 -7.615 7.239 181 H MET 103 H MET 103 124.476 -4.286 0.840 182 HA MET 103 HA MET 103 125.159 -6.996 0.779 183 1HB MET 103 2HB MET 103 125.580 -6.583 -1.681 184 2HB MET 103 1HB MET 103 123.998 -6.102 -1.086 185 1HG MET 103 2HG MET 103 124.379 -4.174 -2.116 186 2HG MET 103 1HG MET 103 125.460 -3.815 -0.772 187 1HE MET 103 1HE MET 103 125.601 -4.504 -4.867 188 2HE MET 103 2HE MET 103 125.177 -5.885 -3.853 189 3HE MET 103 3HE MET 103 126.753 -5.820 -4.645 190 H PHE 104 H PHE 104 127.155 -4.118 0.230 191 HA PHE 104 HA PHE 104 129.525 -5.425 -0.485 192 1HB PHE 104 2HB PHE 104 128.717 -2.783 -0.076 193 2HB PHE 104 1HB PHE 104 130.018 -3.030 1.085 194 HD1 PHE 104 HD1 PHE 104 132.151 -2.574 0.388 195 HD2 PHE 104 HD2 PHE 104 129.258 -3.768 -2.494 196 HE1 PHE 104 HE1 PHE 104 133.808 -2.258 -1.402 197 HE2 PHE 104 HE2 PHE 104 130.910 -3.456 -4.290 198 HZ PHE 104 HZ PHE 104 133.190 -2.700 -3.745 199 H ASP 105 H ASP 105 128.095 -4.777 2.645 200 HA ASP 105 HA ASP 105 130.435 -5.531 4.134 201 1HB ASP 105 2HB ASP 105 128.347 -4.015 4.797 202 2HB ASP 105 1HB ASP 105 127.730 -5.555 5.387 203 H LYS 106 H LYS 106 131.104 -7.546 4.410 204 HA LYS 106 HA LYS 106 129.571 -9.803 3.635 205 1HB LYS 106 2HB LYS 106 132.137 -9.520 3.708 206 2HB LYS 106 1HB LYS 106 131.995 -9.943 5.410 207 1HG LYS 106 2HG LYS 106 132.467 -11.969 4.405 208 2HG LYS 106 1HG LYS 106 130.710 -12.009 4.562 209 1HD LYS 106 2HD LYS 106 130.860 -10.901 2.149 210 2HD LYS 106 1HD LYS 106 132.402 -11.759 2.135 211 1HE LYS 106 2HE LYS 106 130.750 -13.682 3.093 212 2HE LYS 106 1HE LYS 106 129.651 -12.797 2.036 213 1HZ LYS 106 1HZ LYS 106 131.788 -13.020 0.464 214 2HZ LYS 106 2HZ LYS 106 130.529 -14.148 0.488 215 3HZ LYS 106 3HZ LYS 106 131.945 -14.444 1.366 216 H ASN 107 H ASN 107 130.487 -8.471 6.791 217 HA ASN 107 HA ASN 107 128.871 -10.476 8.154 218 1HB ASN 107 2HB ASN 107 130.719 -8.303 9.138 219 2HB ASN 107 1HB ASN 107 129.720 -9.262 10.225 220 1HD2 ASN 107 1HD2 ASN 107 130.713 -10.917 11.093 221 2HD2 ASN 107 2HD2 ASN 107 132.015 -11.813 10.396 222 H ALA 108 H ALA 108 128.719 -7.151 7.181 223 HA ALA 108 HA ALA 108 127.055 -5.602 7.269 224 1HB ALA 108 1HB ALA 108 125.039 -7.439 8.396 225 2HB ALA 108 2HB ALA 108 125.754 -7.918 6.857 226 3HB ALA 108 3HB ALA 108 124.942 -6.358 7.006 227 H ASP 109 H ASP 109 128.783 -5.821 9.466 228 HA ASP 109 HA ASP 109 127.131 -5.532 11.848 229 1HB ASP 109 2HB ASP 109 129.361 -5.244 12.993 230 2HB ASP 109 1HB ASP 109 129.132 -6.793 12.188 231 H GLY 110 H GLY 110 128.423 -3.559 9.407 232 1HA GLY 110 2HA GLY 110 127.482 -1.239 9.544 233 2HA GLY 110 1HA GLY 110 128.189 -1.184 11.149 234 H TYR 111 H TYR 111 130.496 -2.823 9.831 235 HA TYR 111 HA TYR 111 131.764 -0.641 8.345 236 1HB TYR 111 2HB TYR 111 133.014 -2.046 10.715 237 2HB TYR 111 1HB TYR 111 133.837 -0.900 9.663 238 HD1 TYR 111 HD1 TYR 111 133.865 1.349 10.235 239 HD2 TYR 111 HD2 TYR 111 130.860 -1.165 11.897 240 HE1 TYR 111 HE1 TYR 111 133.108 3.205 11.659 241 HE2 TYR 111 HE2 TYR 111 130.096 0.686 13.326 242 HH TYR 111 HH TYR 111 130.486 3.622 12.900 243 H ILE 112 H ILE 112 133.523 -1.292 7.014 244 HA ILE 112 HA ILE 112 133.761 -4.200 6.617 245 HB ILE 112 HB ILE 112 133.677 -2.192 4.365 246 1HG1 ILE 112 2HG1 ILE 112 131.508 -4.152 5.129 247 2HG1 ILE 112 1HG1 ILE 112 131.491 -2.460 5.618 248 1HG2 ILE 112 1HG2 ILE 112 134.177 -5.088 4.577 249 2HG2 ILE 112 2HG2 ILE 112 134.743 -3.920 3.382 250 3HG2 ILE 112 3HG2 ILE 112 133.114 -4.583 3.263 251 1HD1 ILE 112 1HD1 ILE 112 130.477 -1.973 3.719 252 2HD1 ILE 112 2HD1 ILE 112 130.634 -3.641 3.168 253 3HD1 ILE 112 3HD1 ILE 112 131.923 -2.479 2.845 254 H ASP 113 H ASP 113 135.770 -4.958 5.977 255 HA ASP 113 HA ASP 113 137.926 -2.974 5.755 256 1HB ASP 113 2HB ASP 113 139.364 -4.396 7.176 257 2HB ASP 113 1HB ASP 113 137.958 -3.799 8.050 258 H LEU 114 H LEU 114 140.071 -4.438 5.308 259 HA LEU 114 HA LEU 114 139.794 -5.332 2.669 260 1HB LEU 114 2HB LEU 114 141.941 -5.389 4.718 261 2HB LEU 114 1HB LEU 114 142.117 -6.474 3.350 262 HG LEU 114 HG LEU 114 141.429 -3.747 2.553 263 1HD1 LEU 114 1HD1 LEU 114 144.221 -4.008 3.534 264 2HD1 LEU 114 2HD1 LEU 114 142.957 -3.619 4.700 265 3HD1 LEU 114 3HD1 LEU 114 143.229 -2.568 3.309 266 1HD2 LEU 114 1HD2 LEU 114 142.458 -5.902 1.334 267 2HD2 LEU 114 2HD2 LEU 114 143.950 -5.056 1.743 268 3HD2 LEU 114 3HD2 LEU 114 142.720 -4.253 0.767 269 H GLU 115 H GLU 115 139.517 -7.009 5.704 270 HA GLU 115 HA GLU 115 139.799 -9.644 4.641 271 1HB GLU 115 2HB GLU 115 138.990 -8.456 7.244 272 2HB GLU 115 1HB GLU 115 138.477 -10.105 6.916 273 1HG GLU 115 2HG GLU 115 140.716 -10.849 6.696 274 2HG GLU 115 1HG GLU 115 141.331 -9.197 6.690 275 H GLU 116 H GLU 116 136.933 -8.041 6.034 276 HA GLU 116 HA GLU 116 135.065 -9.877 5.079 277 1HB GLU 116 2HB GLU 116 134.951 -7.087 6.100 278 2HB GLU 116 1HB GLU 116 133.540 -7.689 5.243 279 1HG GLU 116 2HG GLU 116 132.896 -8.917 6.975 280 2HG GLU 116 1HG GLU 116 134.507 -9.601 7.186 281 H LEU 117 H LEU 117 136.696 -7.303 3.445 282 HA LEU 117 HA LEU 117 134.799 -7.077 1.298 283 1HB LEU 117 2HB LEU 117 136.309 -5.231 2.037 284 2HB LEU 117 1HB LEU 117 137.663 -6.138 1.391 285 HG LEU 117 HG LEU 117 136.778 -5.951 -0.858 286 1HD1 LEU 117 1HD1 LEU 117 134.778 -4.405 -1.181 287 2HD1 LEU 117 2HD1 LEU 117 134.436 -4.687 0.526 288 3HD1 LEU 117 3HD1 LEU 117 134.453 -6.040 -0.605 289 1HD2 LEU 117 1HD2 LEU 117 136.451 -3.158 0.019 290 2HD2 LEU 117 2HD2 LEU 117 137.546 -3.856 -1.175 291 3HD2 LEU 117 3HD2 LEU 117 137.934 -3.957 0.542 292 H LYS 118 H LYS 118 138.004 -8.562 1.696 293 HA LYS 118 HA LYS 118 138.271 -9.514 -0.928 294 1HB LYS 118 2HB LYS 118 139.985 -10.996 -0.050 295 2HB LYS 118 1HB LYS 118 140.134 -9.401 0.675 296 1HG LYS 118 2HG LYS 118 139.488 -10.130 2.747 297 2HG LYS 118 1HG LYS 118 138.558 -11.484 2.103 298 1HD LYS 118 2HD LYS 118 140.654 -12.612 1.490 299 2HD LYS 118 1HD LYS 118 141.568 -11.265 2.172 300 1HE LYS 118 2HE LYS 118 140.920 -11.778 4.356 301 2HE LYS 118 1HE LYS 118 139.564 -12.767 3.818 302 1HZ LYS 118 1HZ LYS 118 141.019 -14.399 4.346 303 2HZ LYS 118 2HZ LYS 118 142.391 -13.455 4.045 304 3HZ LYS 118 3HZ LYS 118 141.535 -14.141 2.756 305 H ILE 119 H ILE 119 136.523 -10.775 1.818 306 HA ILE 119 HA ILE 119 136.166 -13.414 0.841 307 HB ILE 119 HB ILE 119 134.363 -11.905 2.735 308 1HG1 ILE 119 2HG1 ILE 119 136.464 -13.807 3.670 309 2HG1 ILE 119 1HG1 ILE 119 136.963 -12.186 3.201 310 1HG2 ILE 119 1HG2 ILE 119 134.745 -14.791 3.061 311 2HG2 ILE 119 2HG2 ILE 119 133.928 -14.326 1.570 312 3HG2 ILE 119 3HG2 ILE 119 133.272 -13.825 3.129 313 1HD1 ILE 119 1HD1 ILE 119 134.690 -11.964 4.884 314 2HD1 ILE 119 2HD1 ILE 119 136.341 -11.418 5.173 315 3HD1 ILE 119 3HD1 ILE 119 135.855 -13.046 5.647 316 H MET 120 H MET 120 134.461 -10.397 0.353 317 HA MET 120 HA MET 120 132.078 -11.421 -0.731 318 1HB MET 120 2HB MET 120 132.507 -9.044 -0.003 319 2HB MET 120 1HB MET 120 133.406 -8.818 -1.497 320 1HG MET 120 2HG MET 120 131.249 -9.627 -2.652 321 2HG MET 120 1HG MET 120 130.477 -9.264 -1.109 322 1HE MET 120 1HE MET 120 132.452 -6.218 -3.942 323 2HE MET 120 2HE MET 120 132.224 -7.936 -4.270 324 3HE MET 120 3HE MET 120 133.422 -7.416 -3.084 325 H LEU 121 H LEU 121 135.198 -10.674 -2.188 326 HA LEU 121 HA LEU 121 134.314 -11.145 -4.874 327 1HB LEU 121 2HB LEU 121 136.890 -10.545 -3.530 328 2HB LEU 121 1HB LEU 121 136.978 -11.353 -5.084 329 HG LEU 121 HG LEU 121 137.175 -8.896 -5.258 330 1HD1 LEU 121 1HD1 LEU 121 134.588 -9.419 -6.569 331 2HD1 LEU 121 2HD1 LEU 121 135.877 -10.574 -6.908 332 3HD1 LEU 121 3HD1 LEU 121 136.116 -8.859 -7.247 333 1HD2 LEU 121 1HD2 LEU 121 134.293 -8.514 -4.751 334 2HD2 LEU 121 2HD2 LEU 121 135.653 -7.432 -4.455 335 3HD2 LEU 121 3HD2 LEU 121 135.312 -8.748 -3.331 336 H GLN 122 H GLN 122 135.671 -13.075 -2.309 337 HA GLN 122 HA GLN 122 136.652 -15.245 -3.754 338 1HB GLN 122 2HB GLN 122 135.416 -15.071 -1.009 339 2HB GLN 122 1HB GLN 122 136.097 -16.562 -1.648 340 1HG GLN 122 2HG GLN 122 137.681 -14.022 -1.495 341 2HG GLN 122 1HG GLN 122 137.577 -15.153 -0.146 342 1HE2 GLN 122 1HE2 GLN 122 139.721 -15.711 -0.177 343 2HE2 GLN 122 2HE2 GLN 122 140.439 -16.633 -1.450 344 H ALA 123 H ALA 123 133.378 -14.350 -2.940 345 HA ALA 123 HA ALA 123 132.189 -16.868 -3.555 346 1HB ALA 123 1HB ALA 123 130.082 -15.729 -3.383 347 2HB ALA 123 2HB ALA 123 130.871 -14.157 -3.529 348 3HB ALA 123 3HB ALA 123 131.142 -15.153 -2.098 349 H THR 124 H THR 124 132.863 -13.932 -5.375 350 HA THR 124 HA THR 124 131.410 -14.747 -7.703 351 HB THR 124 HB THR 124 132.269 -12.782 -8.739 352 HG1 THR 124 HG1 THR 124 134.117 -11.851 -8.192 353 1HG2 THR 124 1HG2 THR 124 131.667 -11.057 -7.299 354 2HG2 THR 124 2HG2 THR 124 132.199 -11.941 -5.869 355 3HG2 THR 124 3HG2 THR 124 130.743 -12.445 -6.725 356 H GLY 125 H GLY 125 132.624 -14.802 -9.874 357 1HA GLY 125 2HA GLY 125 134.538 -16.964 -9.700 358 2HA GLY 125 1HA GLY 125 133.848 -16.294 -11.171 359 H GLU 126 H GLU 126 134.608 -13.540 -10.345 360 HA GLU 126 HA GLU 126 137.052 -13.358 -11.691 361 1HB GLU 126 2HB GLU 126 135.832 -11.378 -9.759 362 2HB GLU 126 1HB GLU 126 137.102 -11.025 -10.922 363 1HG GLU 126 2HG GLU 126 134.950 -12.196 -12.338 364 2HG GLU 126 1HG GLU 126 134.287 -10.954 -11.276 365 H THR 127 H THR 127 139.156 -13.177 -11.037 366 HA THR 127 HA THR 127 139.692 -13.940 -8.252 367 HB THR 127 HB THR 127 142.003 -14.499 -9.213 368 HG1 THR 127 HG1 THR 127 140.571 -14.435 -11.655 369 1HG2 THR 127 1HG2 THR 127 139.500 -15.987 -9.682 370 2HG2 THR 127 2HG2 THR 127 140.960 -16.455 -8.809 371 3HG2 THR 127 3HG2 THR 127 140.925 -16.521 -10.571 372 H ILE 128 H ILE 128 139.811 -12.045 -7.151 373 HA ILE 128 HA ILE 128 141.513 -9.907 -8.210 374 HB ILE 128 HB ILE 128 139.759 -9.785 -5.760 375 1HG1 ILE 128 2HG1 ILE 128 138.350 -10.301 -7.676 376 2HG1 ILE 128 1HG1 ILE 128 138.115 -8.621 -7.204 377 1HG2 ILE 128 1HG2 ILE 128 140.824 -7.564 -7.495 378 2HG2 ILE 128 2HG2 ILE 128 141.599 -8.118 -6.011 379 3HG2 ILE 128 3HG2 ILE 128 139.983 -7.414 -5.952 380 1HD1 ILE 128 1HD1 ILE 128 139.984 -9.430 -9.407 381 2HD1 ILE 128 2HD1 ILE 128 139.330 -7.830 -9.054 382 3HD1 ILE 128 3HD1 ILE 128 138.273 -9.097 -9.676 383 H THR 129 H THR 129 143.463 -9.481 -7.387 384 HA THR 129 HA THR 129 144.580 -11.198 -5.391 385 HB THR 129 HB THR 129 146.042 -10.494 -7.131 386 HG1 THR 129 HG1 THR 129 147.146 -10.559 -5.219 387 1HG2 THR 129 1HG2 THR 129 145.028 -7.767 -6.540 388 2HG2 THR 129 2HG2 THR 129 145.318 -8.557 -8.089 389 3HG2 THR 129 3HG2 THR 129 146.676 -7.956 -7.138 390 H GLU 130 H GLU 130 145.679 -10.411 -3.442 391 HA GLU 130 HA GLU 130 143.939 -8.950 -1.783 392 1HB GLU 130 2HB GLU 130 146.034 -10.627 -1.352 393 2HB GLU 130 1HB GLU 130 146.769 -9.079 -0.956 394 1HG GLU 130 2HG GLU 130 145.693 -8.954 0.980 395 2HG GLU 130 1HG GLU 130 144.148 -9.368 0.238 396 H ASP 131 H ASP 131 146.735 -8.010 -3.668 397 HA ASP 131 HA ASP 131 147.176 -5.487 -2.488 398 1HB ASP 131 2HB ASP 131 148.532 -6.941 -4.295 399 2HB ASP 131 1HB ASP 131 147.731 -5.815 -5.389 400 H ASP 132 H ASP 132 144.931 -6.611 -4.913 401 HA ASP 132 HA ASP 132 144.184 -4.006 -5.836 402 1HB ASP 132 2HB ASP 132 143.298 -6.795 -6.314 403 2HB ASP 132 1HB ASP 132 142.095 -5.537 -6.587 404 H ILE 133 H ILE 133 143.136 -6.150 -3.295 405 HA ILE 133 HA ILE 133 140.612 -5.009 -2.786 406 HB ILE 133 HB ILE 133 142.428 -6.300 -0.750 407 1HG1 ILE 133 2HG1 ILE 133 142.228 -7.783 -2.663 408 2HG1 ILE 133 1HG1 ILE 133 141.252 -8.409 -1.339 409 1HG2 ILE 133 1HG2 ILE 133 139.501 -6.645 -0.668 410 2HG2 ILE 133 2HG2 ILE 133 140.103 -5.031 -0.294 411 3HG2 ILE 133 3HG2 ILE 133 140.657 -6.416 0.645 412 1HD1 ILE 133 1HD1 ILE 133 139.424 -6.913 -2.649 413 2HD1 ILE 133 2HD1 ILE 133 139.695 -8.633 -2.927 414 3HD1 ILE 133 3HD1 ILE 133 140.450 -7.440 -3.984 415 H GLU 134 H GLU 134 143.856 -4.120 -1.806 416 HA GLU 134 HA GLU 134 143.161 -2.331 0.265 417 1HB GLU 134 2HB GLU 134 145.567 -2.942 -1.327 418 2HB GLU 134 1HB GLU 134 145.496 -1.306 -0.688 419 1HG GLU 134 2HG GLU 134 144.785 -2.795 1.485 420 2HG GLU 134 1HG GLU 134 145.950 -3.844 0.679 421 H GLU 135 H GLU 135 143.700 -1.860 -3.205 422 HA GLU 135 HA GLU 135 143.479 0.929 -3.253 423 1HB GLU 135 2HB GLU 135 143.074 -1.233 -5.283 424 2HB GLU 135 1HB GLU 135 142.623 0.418 -5.682 425 1HG GLU 135 2HG GLU 135 145.065 0.898 -4.765 426 2HG GLU 135 1HG GLU 135 145.300 -0.774 -5.267 427 H LEU 136 H LEU 136 141.052 -1.581 -3.146 428 HA LEU 136 HA LEU 136 138.830 -0.015 -3.916 429 1HB LEU 136 2HB LEU 136 139.290 -2.650 -2.709 430 2HB LEU 136 1HB LEU 136 137.781 -1.901 -2.227 431 HG LEU 136 HG LEU 136 138.428 -1.960 -5.131 432 1HD1 LEU 136 1HD1 LEU 136 137.813 -4.349 -3.448 433 2HD1 LEU 136 2HD1 LEU 136 138.931 -4.186 -4.802 434 3HD1 LEU 136 3HD1 LEU 136 137.193 -4.244 -5.097 435 1HD2 LEU 136 1HD2 LEU 136 136.420 -0.835 -4.300 436 2HD2 LEU 136 2HD2 LEU 136 135.887 -2.341 -3.552 437 3HD2 LEU 136 3HD2 LEU 136 136.012 -2.224 -5.307 438 H MET 137 H MET 137 140.257 -0.746 -0.757 439 HA MET 137 HA MET 137 138.308 0.924 0.601 440 1HB MET 137 2HB MET 137 140.717 -0.535 1.700 441 2HB MET 137 1HB MET 137 139.458 0.239 2.651 442 1HG MET 137 2HG MET 137 139.074 -2.103 0.802 443 2HG MET 137 1HG MET 137 139.170 -2.178 2.560 444 1HE MET 137 1HE MET 137 137.193 -0.829 4.160 445 2HE MET 137 2HE MET 137 137.282 -2.559 3.829 446 3HE MET 137 3HE MET 137 135.732 -1.721 3.733 447 H LYS 138 H LYS 138 141.493 1.190 -0.697 448 HA LYS 138 HA LYS 138 142.622 3.184 0.864 449 1HB LYS 138 2HB LYS 138 143.709 1.920 -1.030 450 2HB LYS 138 1HB LYS 138 142.875 3.000 -2.139 451 1HG LYS 138 2HG LYS 138 144.070 4.778 -0.472 452 2HG LYS 138 1HG LYS 138 145.243 3.459 -0.479 453 1HD LYS 138 2HD LYS 138 144.084 4.658 -2.987 454 2HD LYS 138 1HD LYS 138 145.582 5.221 -2.247 455 1HE LYS 138 2HE LYS 138 146.177 2.647 -2.348 456 2HE LYS 138 1HE LYS 138 144.995 2.669 -3.657 457 1HZ LYS 138 1HZ LYS 138 146.289 4.452 -4.703 458 2HZ LYS 138 2HZ LYS 138 147.195 3.035 -4.525 459 3HZ LYS 138 3HZ LYS 138 147.447 4.337 -3.474 460 H ASP 139 H ASP 139 140.597 3.567 -2.045 461 HA ASP 139 HA ASP 139 140.433 6.425 -1.631 462 1HB ASP 139 2HB ASP 139 139.283 6.518 -3.718 463 2HB ASP 139 1HB ASP 139 140.587 5.349 -3.906 464 H GLY 140 H GLY 140 138.655 3.652 -0.699 465 1HA GLY 140 2HA GLY 140 136.109 4.973 -0.435 466 2HA GLY 140 1HA GLY 140 136.524 3.375 0.167 467 H ASP 141 H ASP 141 138.896 4.455 1.599 468 HA ASP 141 HA ASP 141 137.583 5.029 4.067 469 1HB ASP 141 2HB ASP 141 139.755 3.753 3.795 470 2HB ASP 141 1HB ASP 141 140.535 5.302 3.487 471 H LYS 142 H LYS 142 137.214 6.932 5.048 472 HA LYS 142 HA LYS 142 138.280 9.360 3.760 473 1HB LYS 142 2HB LYS 142 135.588 8.970 5.079 474 2HB LYS 142 1HB LYS 142 136.199 10.502 4.464 475 1HG LYS 142 2HG LYS 142 135.577 8.034 2.858 476 2HG LYS 142 1HG LYS 142 134.671 9.549 2.875 477 1HD LYS 142 2HD LYS 142 137.096 10.490 2.226 478 2HD LYS 142 1HD LYS 142 137.222 8.870 1.538 479 1HE LYS 142 2HE LYS 142 135.521 9.236 0.025 480 2HE LYS 142 1HE LYS 142 134.781 10.501 1.005 481 1HZ LYS 142 1HZ LYS 142 137.451 11.065 0.008 482 2HZ LYS 142 2HZ LYS 142 136.100 12.078 0.126 483 3HZ LYS 142 3HZ LYS 142 136.232 10.990 -1.163 484 H ASN 143 H ASN 143 137.453 7.763 6.777 485 HA ASN 143 HA ASN 143 138.512 10.009 8.318 486 1HB ASN 143 2HB ASN 143 137.335 7.438 9.380 487 2HB ASN 143 1HB ASN 143 137.585 8.945 10.256 488 1HD2 ASN 143 1HD2 ASN 143 136.195 10.671 9.908 489 2HD2 ASN 143 2HD2 ASN 143 134.663 10.475 9.134 490 H ASN 144 H ASN 144 140.053 7.903 6.653 491 HA ASN 144 HA ASN 144 141.917 6.590 6.819 492 1HB ASN 144 2HB ASN 144 143.776 7.688 7.963 493 2HB ASN 144 1HB ASN 144 142.821 8.863 7.064 494 1HD2 ASN 144 1HD2 ASN 144 143.434 7.546 10.263 495 2HD2 ASN 144 2HD2 ASN 144 142.942 8.953 11.138 496 H ASP 145 H ASP 145 139.772 5.780 8.598 497 HA ASP 145 HA ASP 145 141.038 4.969 11.069 498 1HB ASP 145 2HB ASP 145 138.879 3.907 11.572 499 2HB ASP 145 1HB ASP 145 138.665 5.580 11.068 500 H GLY 146 H GLY 146 140.319 3.600 7.943 501 1HA GLY 146 2HA GLY 146 141.829 1.765 7.268 502 2HA GLY 146 1HA GLY 146 141.530 1.060 8.850 503 H ARG 147 H ARG 147 138.619 2.004 8.471 504 HA ARG 147 HA ARG 147 137.792 -0.109 6.598 505 1HB ARG 147 2HB ARG 147 136.537 0.493 9.283 506 2HB ARG 147 1HB ARG 147 135.966 -0.705 8.128 507 1HG ARG 147 2HG ARG 147 138.192 -1.842 8.363 508 2HG ARG 147 1HG ARG 147 138.527 -0.740 9.699 509 1HD ARG 147 2HD ARG 147 136.548 -1.557 10.874 510 2HD ARG 147 1HD ARG 147 136.194 -2.644 9.532 511 HE ARG 147 HE ARG 147 138.700 -3.355 10.248 512 1HH1 ARG 147 1HH1 ARG 147 135.737 -2.955 12.048 513 2HH1 ARG 147 2HH1 ARG 147 136.143 -4.158 13.226 514 1HH2 ARG 147 1HH2 ARG 147 139.236 -4.937 11.797 515 2HH2 ARG 147 2HH2 ARG 147 138.130 -5.282 13.085 516 H ILE 148 H ILE 148 135.254 0.121 6.301 517 HA ILE 148 HA ILE 148 134.675 2.977 5.853 518 HB ILE 148 HB ILE 148 133.785 0.732 4.045 519 1HG1 ILE 148 2HG1 ILE 148 136.056 2.699 3.671 520 2HG1 ILE 148 1HG1 ILE 148 136.228 0.970 3.952 521 1HG2 ILE 148 1HG2 ILE 148 133.792 3.710 3.583 522 2HG2 ILE 148 2HG2 ILE 148 132.390 2.794 4.136 523 3HG2 ILE 148 3HG2 ILE 148 133.086 2.468 2.549 524 1HD1 ILE 148 1HD1 ILE 148 136.549 1.442 1.623 525 2HD1 ILE 148 2HD1 ILE 148 135.007 2.292 1.542 526 3HD1 ILE 148 3HD1 ILE 148 135.040 0.551 1.828 527 H ASP 149 H ASP 149 132.652 3.692 6.339 528 HA ASP 149 HA ASP 149 130.656 1.716 7.192 529 1HB ASP 149 2HB ASP 149 130.114 3.050 9.168 530 2HB ASP 149 1HB ASP 149 131.805 2.562 9.204 531 H TYR 150 H TYR 150 128.642 3.394 7.960 532 HA TYR 150 HA TYR 150 127.447 4.120 5.564 533 1HB TYR 150 2HB TYR 150 126.345 3.738 7.828 534 2HB TYR 150 1HB TYR 150 126.783 5.398 8.214 535 HD1 TYR 150 HD1 TYR 150 124.237 3.361 6.976 536 HD2 TYR 150 HD2 TYR 150 126.055 7.154 6.334 537 HE1 TYR 150 HE1 TYR 150 122.186 4.151 5.872 538 HE2 TYR 150 HE2 TYR 150 124.008 7.954 5.229 539 HH TYR 150 HH TYR 150 121.260 6.973 5.512 540 H ASP 151 H ASP 151 128.959 6.254 7.986 541 HA ASP 151 HA ASP 151 128.561 8.667 6.656 542 1HB ASP 151 2HB ASP 151 130.646 7.750 8.620 543 2HB ASP 151 1HB ASP 151 130.678 9.379 7.953 544 H GLU 152 H GLU 152 131.317 6.433 6.486 545 HA GLU 152 HA GLU 152 132.820 7.989 4.660 546 1HB GLU 152 2HB GLU 152 133.006 4.995 4.900 547 2HB GLU 152 1HB GLU 152 134.279 6.137 4.490 548 1HG GLU 152 2HG GLU 152 133.824 7.063 6.884 549 2HG GLU 152 1HG GLU 152 133.113 5.471 7.148 550 H PHE 153 H PHE 153 130.572 5.283 4.226 551 HA PHE 153 HA PHE 153 130.903 4.911 1.484 552 1HB PHE 153 2HB PHE 153 129.529 3.549 3.232 553 2HB PHE 153 1HB PHE 153 128.211 4.625 2.779 554 HD1 PHE 153 HD1 PHE 153 127.322 4.603 0.490 555 HD2 PHE 153 HD2 PHE 153 130.290 1.832 1.768 556 HE1 PHE 153 HE1 PHE 153 126.830 3.182 -1.457 557 HE2 PHE 153 HE2 PHE 153 129.801 0.406 -0.178 558 HZ PHE 153 HZ PHE 153 128.070 1.081 -1.795 559 H LEU 154 H LEU 154 129.116 7.332 3.250 560 HA LEU 154 HA LEU 154 127.602 8.260 1.004 561 1HB LEU 154 2HB LEU 154 127.920 8.969 3.826 562 2HB LEU 154 1HB LEU 154 127.665 10.357 2.786 563 HG LEU 154 HG LEU 154 125.571 9.482 3.754 564 1HD1 LEU 154 1HD1 LEU 154 124.747 10.471 1.944 565 2HD1 LEU 154 2HD1 LEU 154 124.731 8.889 1.168 566 3HD1 LEU 154 3HD1 LEU 154 126.117 9.960 0.959 567 1HD2 LEU 154 1HD2 LEU 154 125.965 7.074 1.995 568 2HD2 LEU 154 2HD2 LEU 154 124.700 7.358 3.191 569 3HD2 LEU 154 3HD2 LEU 154 126.363 7.082 3.714 570 H GLU 155 H GLU 155 130.404 9.561 2.784 571 HA GLU 155 HA GLU 155 130.851 11.789 1.163 572 1HB GLU 155 2HB GLU 155 132.764 10.134 2.811 573 2HB GLU 155 1HB GLU 155 133.219 11.641 2.028 574 1HG GLU 155 2HG GLU 155 130.819 11.717 3.745 575 2HG GLU 155 1HG GLU 155 132.369 11.494 4.555 576 H PHE 156 H PHE 156 132.090 8.482 0.902 577 HA PHE 156 HA PHE 156 133.869 8.887 -1.218 578 1HB PHE 156 2HB PHE 156 133.711 6.817 0.176 579 2HB PHE 156 1HB PHE 156 132.234 6.398 -0.686 580 HD1 PHE 156 HD1 PHE 156 135.669 7.540 -1.619 581 HD2 PHE 156 HD2 PHE 156 132.505 4.765 -2.257 582 HE1 PHE 156 HE1 PHE 156 137.006 6.421 -3.355 583 HE2 PHE 156 HE2 PHE 156 133.838 3.642 -3.994 584 HZ PHE 156 HZ PHE 156 136.089 4.470 -4.546 585 H MET 157 H MET 157 130.400 8.303 -1.191 586 HA MET 157 HA MET 157 130.265 8.170 -4.083 587 1HB MET 157 2HB MET 157 128.611 7.346 -1.934 588 2HB MET 157 1HB MET 157 127.687 8.509 -2.872 589 1HG MET 157 2HG MET 157 127.131 6.593 -3.957 590 2HG MET 157 1HG MET 157 128.547 7.070 -4.893 591 1HE MET 157 1HE MET 157 130.080 5.463 -5.632 592 2HE MET 157 2HE MET 157 130.884 4.243 -4.642 593 3HE MET 157 3HE MET 157 131.104 5.955 -4.282 594 H LYS 158 H LYS 158 129.952 10.541 -1.585 595 HA LYS 158 HA LYS 158 128.512 12.437 -3.215 596 1HB LYS 158 2HB LYS 158 128.743 12.125 -0.535 597 2HB LYS 158 1HB LYS 158 129.940 13.384 -0.806 598 1HG LYS 158 2HG LYS 158 128.282 14.813 -1.806 599 2HG LYS 158 1HG LYS 158 127.072 13.532 -1.707 600 1HD LYS 158 2HD LYS 158 127.995 13.744 0.885 601 2HD LYS 158 1HD LYS 158 127.971 15.416 0.324 602 1HE LYS 158 2HE LYS 158 125.651 13.507 0.079 603 2HE LYS 158 1HE LYS 158 125.851 14.660 1.398 604 1HZ LYS 158 1HZ LYS 158 125.723 15.429 -1.466 605 2HZ LYS 158 2HZ LYS 158 125.704 16.467 -0.130 606 3HZ LYS 158 3HZ LYS 158 124.389 15.444 -0.423 607 H GLY 159 H GLY 159 130.441 11.897 -4.830 608 1HA GLY 159 2HA GLY 159 131.765 13.425 -6.121 609 2HA GLY 159 1HA GLY 159 132.257 14.203 -4.625 610 H VAL 160 H VAL 160 132.509 11.143 -6.404 611 HA VAL 160 HA VAL 160 134.704 10.152 -4.901 612 HB VAL 160 HB VAL 160 133.958 9.392 -7.728 613 1HG1 VAL 160 1HG1 VAL 160 135.883 8.243 -7.447 614 2HG1 VAL 160 2HG1 VAL 160 134.832 7.133 -6.567 615 3HG1 VAL 160 3HG1 VAL 160 135.797 8.315 -5.687 616 1HG2 VAL 160 1HG2 VAL 160 133.020 7.679 -5.544 617 2HG2 VAL 160 2HG2 VAL 160 132.191 8.210 -7.007 618 3HG2 VAL 160 3HG2 VAL 160 132.256 9.268 -5.597 619 H GLU 161 H GLU 161 134.419 12.199 -7.719 620 HA GLU 161 HA GLU 161 137.352 12.258 -7.965 621 1HB GLU 161 2HB GLU 161 136.886 13.287 -10.222 622 2HB GLU 161 1HB GLU 161 136.392 11.609 -10.041 623 1HG GLU 161 2HG GLU 161 134.226 12.084 -10.332 624 2HG GLU 161 1HG GLU 161 134.315 13.562 -9.377 Start of MODEL 14 1 1H MET 81 1HT MET 81 90.807 16.480 -0.665 2 2H MET 81 2HT MET 81 91.746 16.887 -2.042 3 3H MET 81 3HT MET 81 91.612 17.991 -0.735 4 HA MET 81 HA MET 81 93.724 16.774 -0.859 5 1HB MET 81 2HB MET 81 91.972 17.350 1.321 6 2HB MET 81 1HB MET 81 92.852 15.878 1.705 7 1HG MET 81 2HG MET 81 94.791 17.570 0.691 8 2HG MET 81 1HG MET 81 93.758 18.625 1.652 9 1HE MET 81 1HE MET 81 96.785 18.220 3.723 10 2HE MET 81 2HE MET 81 95.300 18.874 4.414 11 3HE MET 81 3HE MET 81 95.716 19.215 2.735 12 H VAL 82 H VAL 82 94.072 14.971 -2.083 13 HA VAL 82 HA VAL 82 93.606 12.423 -0.794 14 HB VAL 82 HB VAL 82 91.536 12.709 -2.085 15 1HG1 VAL 82 1HG1 VAL 82 93.035 14.014 -3.919 16 2HG1 VAL 82 2HG1 VAL 82 91.429 13.358 -4.238 17 3HG1 VAL 82 3HG1 VAL 82 92.864 12.440 -4.694 18 1HG2 VAL 82 1HG2 VAL 82 93.477 10.604 -2.996 19 2HG2 VAL 82 2HG2 VAL 82 91.795 10.622 -3.521 20 3HG2 VAL 82 3HG2 VAL 82 92.181 10.466 -1.809 21 H ARG 83 H ARG 83 95.134 10.929 -1.309 22 HA ARG 83 HA ARG 83 97.415 11.844 -2.805 23 1HB ARG 83 2HB ARG 83 98.468 9.769 -2.087 24 2HB ARG 83 1HB ARG 83 97.679 10.553 -0.727 25 1HG ARG 83 2HG ARG 83 95.697 8.999 -1.265 26 2HG ARG 83 1HG ARG 83 96.879 8.075 -2.194 27 1HD ARG 83 2HD ARG 83 98.282 7.883 -0.187 28 2HD ARG 83 1HD ARG 83 97.074 8.778 0.733 29 HE ARG 83 HE ARG 83 95.914 6.512 -0.511 30 1HH1 ARG 83 1HH1 ARG 83 97.962 7.437 2.158 31 2HH1 ARG 83 2HH1 ARG 83 97.529 6.068 3.128 32 1HH2 ARG 83 1HH2 ARG 83 95.342 4.712 0.761 33 2HH2 ARG 83 2HH2 ARG 83 96.043 4.521 2.335 34 H CYS 84 H CYS 84 98.246 10.990 -4.698 35 HA CYS 84 HA CYS 84 96.657 8.979 -6.111 36 1HB CYS 84 2HB CYS 84 97.077 11.806 -6.940 37 2HB CYS 84 1HB CYS 84 97.147 10.574 -8.196 38 HG CYS 84 HG CYS 84 94.690 11.557 -7.846 39 H MET 85 H MET 85 97.986 7.425 -6.733 40 HA MET 85 HA MET 85 99.814 6.303 -7.479 41 1HB MET 85 2HB MET 85 100.430 9.016 -8.647 42 2HB MET 85 1HB MET 85 101.417 7.594 -8.953 43 1HG MET 85 2HG MET 85 98.526 7.309 -9.451 44 2HG MET 85 1HG MET 85 99.410 8.376 -10.539 45 1HE MET 85 1HE MET 85 101.996 7.458 -11.268 46 2HE MET 85 2HE MET 85 100.791 7.527 -12.554 47 3HE MET 85 3HE MET 85 101.837 6.115 -12.399 48 H LYS 86 H LYS 86 101.465 9.404 -6.993 49 HA LYS 86 HA LYS 86 103.097 8.099 -4.918 50 1HB LYS 86 2HB LYS 86 104.076 9.061 -7.171 51 2HB LYS 86 1HB LYS 86 103.979 10.593 -6.312 52 1HG LYS 86 2HG LYS 86 105.341 9.599 -4.493 53 2HG LYS 86 1HG LYS 86 105.526 8.149 -5.483 54 1HD LYS 86 2HD LYS 86 106.182 10.684 -6.826 55 2HD LYS 86 1HD LYS 86 107.252 10.239 -5.495 56 1HE LYS 86 2HE LYS 86 107.799 8.165 -6.519 57 2HE LYS 86 1HE LYS 86 106.522 8.348 -7.719 58 1HZ LYS 86 1HZ LYS 86 107.736 10.290 -8.591 59 2HZ LYS 86 2HZ LYS 86 108.624 8.855 -8.715 60 3HZ LYS 86 3HZ LYS 86 108.995 9.976 -7.505 61 H ASP 87 H ASP 87 102.963 8.836 -2.905 62 HA ASP 87 HA ASP 87 101.645 11.428 -2.458 63 1HB ASP 87 2HB ASP 87 100.614 9.265 -1.542 64 2HB ASP 87 1HB ASP 87 101.952 9.250 -0.397 65 H ASP 88 H ASP 88 104.385 9.416 -1.541 66 HA ASP 88 HA ASP 88 105.501 11.611 0.044 67 1HB ASP 88 2HB ASP 88 107.184 9.929 0.765 68 2HB ASP 88 1HB ASP 88 105.530 9.447 1.133 69 H SER 89 H SER 89 108.120 11.424 -0.164 70 HA SER 89 HA SER 89 108.746 12.678 -2.584 71 1HB SER 89 2HB SER 89 110.198 11.788 -0.202 72 2HB SER 89 1HB SER 89 111.176 11.730 -1.668 73 HG SER 89 HG SER 89 110.896 13.806 -0.306 74 H LYS 90 H LYS 90 110.997 11.660 -3.645 75 HA LYS 90 HA LYS 90 110.085 9.725 -5.439 76 1HB LYS 90 2HB LYS 90 112.189 11.373 -5.430 77 2HB LYS 90 1HB LYS 90 113.009 9.905 -4.919 78 1HG LYS 90 2HG LYS 90 111.932 8.794 -6.939 79 2HG LYS 90 1HG LYS 90 111.541 10.427 -7.482 80 1HD LYS 90 2HD LYS 90 114.123 10.795 -6.944 81 2HD LYS 90 1HD LYS 90 114.171 9.063 -7.280 82 1HE LYS 90 2HE LYS 90 112.738 9.790 -9.376 83 2HE LYS 90 1HE LYS 90 113.525 11.339 -9.086 84 1HZ LYS 90 1HZ LYS 90 115.610 9.699 -8.946 85 2HZ LYS 90 2HZ LYS 90 115.105 10.433 -10.384 86 3HZ LYS 90 3HZ LYS 90 114.650 8.840 -10.042 87 H GLY 91 H GLY 91 110.896 7.538 -5.783 88 1HA GLY 91 2HA GLY 91 110.616 5.938 -3.464 89 2HA GLY 91 1HA GLY 91 111.090 5.367 -5.056 90 H LYS 92 H LYS 92 113.377 5.684 -5.667 91 HA LYS 92 HA LYS 92 115.079 4.944 -3.448 92 1HB LYS 92 2HB LYS 92 115.292 4.896 -6.416 93 2HB LYS 92 1HB LYS 92 116.788 4.961 -5.496 94 1HG LYS 92 2HG LYS 92 116.453 2.883 -4.550 95 2HG LYS 92 1HG LYS 92 114.709 2.930 -4.815 96 1HD LYS 92 2HD LYS 92 114.893 2.315 -7.026 97 2HD LYS 92 1HD LYS 92 116.533 2.950 -7.175 98 1HE LYS 92 2HE LYS 92 117.477 1.032 -6.457 99 2HE LYS 92 1HE LYS 92 116.211 0.737 -5.264 100 1HZ LYS 92 1HZ LYS 92 116.086 0.175 -8.175 101 2HZ LYS 92 2HZ LYS 92 114.760 0.050 -7.134 102 3HZ LYS 92 3HZ LYS 92 116.101 -0.955 -6.918 103 H THR 93 H THR 93 115.657 6.630 -2.201 104 HA THR 93 HA THR 93 116.592 9.091 -3.489 105 HB THR 93 HB THR 93 114.873 9.312 -1.738 106 HG1 THR 93 HG1 THR 93 115.827 11.009 -0.801 107 1HG2 THR 93 1HG2 THR 93 115.433 8.946 0.604 108 2HG2 THR 93 2HG2 THR 93 116.964 8.212 0.124 109 3HG2 THR 93 3HG2 THR 93 115.440 7.438 -0.308 110 H GLU 94 H GLU 94 118.226 10.038 -1.415 111 HA GLU 94 HA GLU 94 120.668 8.699 -2.048 112 1HB GLU 94 2HB GLU 94 119.924 11.236 -1.103 113 2HB GLU 94 1HB GLU 94 120.915 10.536 0.169 114 1HG GLU 94 2HG GLU 94 122.500 9.944 -1.837 115 2HG GLU 94 1HG GLU 94 121.638 11.270 -2.619 116 H GLU 95 H GLU 95 118.704 9.019 0.890 117 HA GLU 95 HA GLU 95 120.381 7.723 2.682 118 1HB GLU 95 2HB GLU 95 118.407 7.311 4.033 119 2HB GLU 95 1HB GLU 95 118.319 8.916 3.322 120 1HG GLU 95 2HG GLU 95 116.421 8.450 2.274 121 2HG GLU 95 1HG GLU 95 117.057 6.933 1.638 122 H GLU 96 H GLU 96 118.503 6.411 0.091 123 HA GLU 96 HA GLU 96 118.171 3.775 0.947 124 1HB GLU 96 2HB GLU 96 118.361 5.092 -1.730 125 2HB GLU 96 1HB GLU 96 118.382 3.337 -1.642 126 1HG GLU 96 2HG GLU 96 116.212 5.190 -0.700 127 2HG GLU 96 1HG GLU 96 116.144 4.040 -2.035 128 H LEU 97 H LEU 97 121.017 5.460 -0.020 129 HA LEU 97 HA LEU 97 122.643 3.469 -1.018 130 1HB LEU 97 2HB LEU 97 123.026 6.039 0.316 131 2HB LEU 97 1HB LEU 97 124.349 4.923 0.592 132 HG LEU 97 HG LEU 97 123.419 5.259 -2.210 133 1HD1 LEU 97 1HD1 LEU 97 124.905 7.360 -0.654 134 2HD1 LEU 97 2HD1 LEU 97 123.430 7.546 -1.606 135 3HD1 LEU 97 3HD1 LEU 97 124.969 7.236 -2.412 136 1HD2 LEU 97 1HD2 LEU 97 126.258 5.372 -1.419 137 2HD2 LEU 97 2HD2 LEU 97 125.475 4.483 -2.726 138 3HD2 LEU 97 3HD2 LEU 97 125.414 3.861 -1.076 139 H SER 98 H SER 98 121.509 3.930 2.232 140 HA SER 98 HA SER 98 123.410 2.470 3.662 141 1HB SER 98 2HB SER 98 121.600 2.122 5.332 142 2HB SER 98 1HB SER 98 121.712 3.798 4.791 143 HG SER 98 HG SER 98 119.731 1.894 4.314 144 H ASP 99 H ASP 99 120.760 1.420 1.647 145 HA ASP 99 HA ASP 99 120.770 -1.298 2.528 146 1HB ASP 99 2HB ASP 99 119.006 0.196 1.115 147 2HB ASP 99 1HB ASP 99 119.778 -0.696 -0.194 148 H LEU 100 H LEU 100 122.335 0.495 -0.062 149 HA LEU 100 HA LEU 100 123.356 -1.771 -1.435 150 1HB LEU 100 2HB LEU 100 123.956 1.160 -1.456 151 2HB LEU 100 1HB LEU 100 125.033 0.052 -2.284 152 HG LEU 100 HG LEU 100 122.148 -0.201 -2.910 153 1HD1 LEU 100 1HD1 LEU 100 123.794 2.058 -4.029 154 2HD1 LEU 100 2HD1 LEU 100 122.539 2.252 -2.806 155 3HD1 LEU 100 3HD1 LEU 100 122.119 1.660 -4.414 156 1HD2 LEU 100 1HD2 LEU 100 124.408 -0.019 -4.853 157 2HD2 LEU 100 2HD2 LEU 100 122.910 -0.947 -4.953 158 3HD2 LEU 100 3HD2 LEU 100 124.203 -1.473 -3.876 159 H PHE 101 H PHE 101 124.459 0.131 1.273 160 HA PHE 101 HA PHE 101 127.152 -0.800 1.253 161 1HB PHE 101 2HB PHE 101 126.588 1.281 2.364 162 2HB PHE 101 1HB PHE 101 125.491 0.442 3.454 163 HD1 PHE 101 HD1 PHE 101 126.248 -0.273 5.516 164 HD2 PHE 101 HD2 PHE 101 129.069 0.549 2.438 165 HE1 PHE 101 HE1 PHE 101 128.085 -0.598 7.120 166 HE2 PHE 101 HE2 PHE 101 130.911 0.225 4.035 167 HZ PHE 101 HZ PHE 101 130.421 -0.350 6.380 168 H ARG 102 H ARG 102 124.165 -2.112 2.385 169 HA ARG 102 HA ARG 102 125.093 -3.795 4.425 170 1HB ARG 102 2HB ARG 102 122.669 -3.539 2.797 171 2HB ARG 102 1HB ARG 102 122.997 -5.189 3.310 172 1HG ARG 102 2HG ARG 102 123.406 -3.658 5.591 173 2HG ARG 102 1HG ARG 102 121.985 -2.950 4.824 174 1HD ARG 102 2HD ARG 102 121.007 -5.233 4.673 175 2HD ARG 102 1HD ARG 102 122.386 -5.837 5.592 176 HE ARG 102 HE ARG 102 121.448 -4.984 7.499 177 1HH1 ARG 102 1HH1 ARG 102 119.838 -3.600 4.729 178 2HH1 ARG 102 2HH1 ARG 102 118.598 -2.842 5.671 179 1HH2 ARG 102 1HH2 ARG 102 119.817 -3.989 8.740 180 2HH2 ARG 102 2HH2 ARG 102 118.586 -3.062 7.948 181 H MET 103 H MET 103 124.521 -4.515 0.979 182 HA MET 103 HA MET 103 125.335 -7.163 0.981 183 1HB MET 103 2HB MET 103 126.015 -6.668 -1.456 184 2HB MET 103 1HB MET 103 124.333 -6.447 -0.996 185 1HG MET 103 2HG MET 103 124.566 -4.092 -0.938 186 2HG MET 103 1HG MET 103 126.321 -4.198 -1.060 187 1HE MET 103 1HE MET 103 126.911 -5.600 -4.525 188 2HE MET 103 2HE MET 103 127.413 -5.518 -2.837 189 3HE MET 103 3HE MET 103 127.500 -4.080 -3.853 190 H PHE 104 H PHE 104 127.286 -4.239 0.622 191 HA PHE 104 HA PHE 104 129.737 -5.432 0.029 192 1HB PHE 104 2HB PHE 104 128.908 -2.839 1.252 193 2HB PHE 104 1HB PHE 104 130.604 -3.301 1.351 194 HD1 PHE 104 HD1 PHE 104 131.468 -4.312 -1.035 195 HD2 PHE 104 HD2 PHE 104 128.388 -1.432 -0.469 196 HE1 PHE 104 HE1 PHE 104 131.829 -3.482 -3.323 197 HE2 PHE 104 HE2 PHE 104 128.742 -0.597 -2.756 198 HZ PHE 104 HZ PHE 104 130.464 -1.623 -4.186 199 H ASP 105 H ASP 105 128.057 -5.054 3.068 200 HA ASP 105 HA ASP 105 130.351 -6.087 4.557 201 1HB ASP 105 2HB ASP 105 128.650 -4.136 5.242 202 2HB ASP 105 1HB ASP 105 127.769 -5.504 5.915 203 H LYS 106 H LYS 106 130.518 -8.153 5.137 204 HA LYS 106 HA LYS 106 128.484 -10.030 4.368 205 1HB LYS 106 2HB LYS 106 131.087 -10.432 5.853 206 2HB LYS 106 1HB LYS 106 130.056 -11.726 5.261 207 1HG LYS 106 2HG LYS 106 131.243 -9.634 3.461 208 2HG LYS 106 1HG LYS 106 132.051 -11.158 3.839 209 1HD LYS 106 2HD LYS 106 129.274 -10.987 2.681 210 2HD LYS 106 1HD LYS 106 130.732 -11.148 1.699 211 1HE LYS 106 2HE LYS 106 131.269 -13.218 3.004 212 2HE LYS 106 1HE LYS 106 129.678 -13.085 3.752 213 1HZ LYS 106 1HZ LYS 106 128.646 -13.764 1.886 214 2HZ LYS 106 2HZ LYS 106 130.140 -14.482 1.546 215 3HZ LYS 106 3HZ LYS 106 129.738 -12.994 0.847 216 H ASN 107 H ASN 107 130.155 -9.626 7.491 217 HA ASN 107 HA ASN 107 128.185 -10.972 8.979 218 1HB ASN 107 2HB ASN 107 129.309 -9.931 10.964 219 2HB ASN 107 1HB ASN 107 130.408 -10.765 9.868 220 1HD2 ASN 107 1HD2 ASN 107 131.265 -8.880 11.703 221 2HD2 ASN 107 2HD2 ASN 107 131.849 -7.494 10.852 222 H ALA 108 H ALA 108 128.390 -7.716 7.842 223 HA ALA 108 HA ALA 108 126.942 -5.964 7.939 224 1HB ALA 108 1HB ALA 108 124.833 -7.479 9.361 225 2HB ALA 108 2HB ALA 108 125.323 -8.083 7.778 226 3HB ALA 108 3HB ALA 108 124.722 -6.433 7.944 227 H ASP 109 H ASP 109 128.814 -5.973 9.869 228 HA ASP 109 HA ASP 109 127.528 -5.547 12.445 229 1HB ASP 109 2HB ASP 109 129.824 -5.231 13.288 230 2HB ASP 109 1HB ASP 109 129.651 -6.752 12.417 231 H GLY 110 H GLY 110 128.599 -3.725 9.732 232 1HA GLY 110 2HA GLY 110 127.585 -1.432 9.732 233 2HA GLY 110 1HA GLY 110 128.345 -1.236 11.303 234 H TYR 111 H TYR 111 130.714 -2.814 10.224 235 HA TYR 111 HA TYR 111 131.860 -0.721 8.502 236 1HB TYR 111 2HB TYR 111 133.331 -2.059 10.780 237 2HB TYR 111 1HB TYR 111 133.928 -0.761 9.751 238 HD1 TYR 111 HD1 TYR 111 132.998 1.523 9.980 239 HD2 TYR 111 HD2 TYR 111 131.916 -1.607 12.651 240 HE1 TYR 111 HE1 TYR 111 132.134 3.187 11.572 241 HE2 TYR 111 HE2 TYR 111 131.047 0.048 14.249 242 HH TYR 111 HH TYR 111 131.364 2.432 14.783 243 H ILE 112 H ILE 112 133.598 -1.399 7.148 244 HA ILE 112 HA ILE 112 133.845 -4.316 6.834 245 HB ILE 112 HB ILE 112 133.680 -2.379 4.526 246 1HG1 ILE 112 2HG1 ILE 112 131.561 -4.332 5.435 247 2HG1 ILE 112 1HG1 ILE 112 131.529 -2.613 5.817 248 1HG2 ILE 112 1HG2 ILE 112 134.218 -5.263 4.806 249 2HG2 ILE 112 2HG2 ILE 112 134.751 -4.120 3.572 250 3HG2 ILE 112 3HG2 ILE 112 133.124 -4.800 3.501 251 1HD1 ILE 112 1HD1 ILE 112 131.008 -2.011 3.680 252 2HD1 ILE 112 2HD1 ILE 112 130.209 -3.580 3.774 253 3HD1 ILE 112 3HD1 ILE 112 131.774 -3.434 2.972 254 H ASP 113 H ASP 113 135.825 -5.068 6.010 255 HA ASP 113 HA ASP 113 137.973 -3.075 5.787 256 1HB ASP 113 2HB ASP 113 139.450 -4.768 7.005 257 2HB ASP 113 1HB ASP 113 138.290 -3.878 7.987 258 H LEU 114 H LEU 114 140.084 -4.391 5.093 259 HA LEU 114 HA LEU 114 139.652 -5.233 2.467 260 1HB LEU 114 2HB LEU 114 141.987 -5.600 4.329 261 2HB LEU 114 1HB LEU 114 142.024 -6.140 2.661 262 HG LEU 114 HG LEU 114 141.428 -3.699 2.070 263 1HD1 LEU 114 1HD1 LEU 114 142.274 -3.445 4.941 264 2HD1 LEU 114 2HD1 LEU 114 140.834 -2.795 4.158 265 3HD1 LEU 114 3HD1 LEU 114 142.419 -2.117 3.791 266 1HD2 LEU 114 1HD2 LEU 114 143.581 -4.754 1.597 267 2HD2 LEU 114 2HD2 LEU 114 144.130 -4.368 3.229 268 3HD2 LEU 114 3HD2 LEU 114 143.782 -3.071 2.086 269 H GLU 115 H GLU 115 139.625 -7.013 5.451 270 HA GLU 115 HA GLU 115 139.916 -9.599 4.254 271 1HB GLU 115 2HB GLU 115 138.823 -8.883 6.978 272 2HB GLU 115 1HB GLU 115 139.378 -10.469 6.461 273 1HG GLU 115 2HG GLU 115 141.631 -9.318 6.037 274 2HG GLU 115 1HG GLU 115 140.984 -8.009 7.026 275 H GLU 116 H GLU 116 137.154 -8.106 5.956 276 HA GLU 116 HA GLU 116 135.240 -9.970 5.219 277 1HB GLU 116 2HB GLU 116 135.285 -7.437 6.513 278 2HB GLU 116 1HB GLU 116 134.001 -7.400 5.315 279 1HG GLU 116 2HG GLU 116 132.705 -8.468 6.748 280 2HG GLU 116 1HG GLU 116 133.761 -9.871 6.600 281 H LEU 117 H LEU 117 136.549 -7.288 3.406 282 HA LEU 117 HA LEU 117 134.519 -7.363 1.370 283 1HB LEU 117 2HB LEU 117 136.207 -5.444 2.139 284 2HB LEU 117 1HB LEU 117 137.168 -6.129 0.844 285 HG LEU 117 HG LEU 117 135.212 -5.783 -0.689 286 1HD1 LEU 117 1HD1 LEU 117 133.273 -4.837 -0.031 287 2HD1 LEU 117 2HD1 LEU 117 134.058 -3.802 1.164 288 3HD1 LEU 117 3HD1 LEU 117 133.737 -5.495 1.538 289 1HD2 LEU 117 1HD2 LEU 117 135.801 -3.095 0.361 290 2HD2 LEU 117 2HD2 LEU 117 136.007 -3.753 -1.262 291 3HD2 LEU 117 3HD2 LEU 117 137.203 -4.098 -0.013 292 H LYS 118 H LYS 118 137.642 -8.825 1.901 293 HA LYS 118 HA LYS 118 138.201 -9.614 -0.742 294 1HB LYS 118 2HB LYS 118 139.402 -9.907 1.781 295 2HB LYS 118 1HB LYS 118 139.154 -11.543 1.188 296 1HG LYS 118 2HG LYS 118 140.225 -9.805 -0.865 297 2HG LYS 118 1HG LYS 118 141.254 -9.855 0.567 298 1HD LYS 118 2HD LYS 118 140.182 -12.355 -0.713 299 2HD LYS 118 1HD LYS 118 141.682 -11.598 -1.253 300 1HE LYS 118 2HE LYS 118 142.141 -11.667 1.389 301 2HE LYS 118 1HE LYS 118 141.083 -13.069 1.239 302 1HZ LYS 118 1HZ LYS 118 142.627 -14.222 0.103 303 2HZ LYS 118 2HZ LYS 118 143.708 -13.174 0.871 304 3HZ LYS 118 3HZ LYS 118 143.219 -12.869 -0.720 305 H ILE 119 H ILE 119 136.149 -10.969 1.735 306 HA ILE 119 HA ILE 119 135.824 -13.542 0.598 307 HB ILE 119 HB ILE 119 133.844 -12.072 2.338 308 1HG1 ILE 119 2HG1 ILE 119 135.730 -14.035 3.514 309 2HG1 ILE 119 1HG1 ILE 119 136.419 -12.485 3.044 310 1HG2 ILE 119 1HG2 ILE 119 134.300 -14.999 1.786 311 2HG2 ILE 119 2HG2 ILE 119 132.888 -14.036 1.350 312 3HG2 ILE 119 3HG2 ILE 119 133.234 -14.377 3.046 313 1HD1 ILE 119 1HD1 ILE 119 134.225 -11.664 4.383 314 2HD1 ILE 119 2HD1 ILE 119 135.815 -11.885 5.113 315 3HD1 ILE 119 3HD1 ILE 119 134.601 -13.157 5.243 316 H MET 120 H MET 120 133.637 -10.719 0.584 317 HA MET 120 HA MET 120 131.737 -11.776 -1.160 318 1HB MET 120 2HB MET 120 131.032 -9.453 -1.534 319 2HB MET 120 1HB MET 120 131.321 -9.776 0.170 320 1HG MET 120 2HG MET 120 133.059 -8.348 0.289 321 2HG MET 120 1HG MET 120 133.606 -8.705 -1.347 322 1HE MET 120 1HE MET 120 132.035 -6.192 -3.573 323 2HE MET 120 2HE MET 120 132.571 -7.866 -3.439 324 3HE MET 120 3HE MET 120 133.653 -6.553 -2.974 325 H LEU 121 H LEU 121 134.838 -10.322 -1.793 326 HA LEU 121 HA LEU 121 134.382 -9.887 -4.590 327 1HB LEU 121 2HB LEU 121 136.674 -9.662 -2.723 328 2HB LEU 121 1HB LEU 121 137.059 -9.896 -4.416 329 HG LEU 121 HG LEU 121 135.064 -7.830 -4.125 330 1HD1 LEU 121 1HD1 LEU 121 137.388 -7.750 -2.288 331 2HD1 LEU 121 2HD1 LEU 121 135.770 -7.071 -2.105 332 3HD1 LEU 121 3HD1 LEU 121 136.956 -6.260 -3.129 333 1HD2 LEU 121 1HD2 LEU 121 137.875 -7.367 -5.004 334 2HD2 LEU 121 2HD2 LEU 121 136.369 -6.732 -5.666 335 3HD2 LEU 121 3HD2 LEU 121 136.828 -8.409 -5.968 336 H GLN 122 H GLN 122 135.687 -12.472 -2.619 337 HA GLN 122 HA GLN 122 136.945 -13.968 -4.628 338 1HB GLN 122 2HB GLN 122 135.821 -14.584 -1.933 339 2HB GLN 122 1HB GLN 122 136.247 -15.926 -2.988 340 1HG GLN 122 2HG GLN 122 138.497 -14.567 -3.217 341 2HG GLN 122 1HG GLN 122 137.986 -13.924 -1.657 342 1HE2 GLN 122 1HE2 GLN 122 139.330 -14.896 -0.278 343 2HE2 GLN 122 2HE2 GLN 122 139.515 -16.606 -0.108 344 H ALA 123 H ALA 123 133.591 -13.631 -3.756 345 HA ALA 123 HA ALA 123 132.527 -15.931 -4.926 346 1HB ALA 123 1HB ALA 123 130.523 -14.200 -5.318 347 2HB ALA 123 2HB ALA 123 131.483 -13.274 -4.166 348 3HB ALA 123 3HB ALA 123 130.908 -14.885 -3.740 349 H THR 124 H THR 124 133.363 -12.810 -6.346 350 HA THR 124 HA THR 124 132.209 -13.190 -8.870 351 HB THR 124 HB THR 124 133.711 -11.437 -9.645 352 HG1 THR 124 HG1 THR 124 135.347 -10.681 -8.223 353 1HG2 THR 124 1HG2 THR 124 131.974 -10.470 -8.433 354 2HG2 THR 124 2HG2 THR 124 133.437 -9.750 -7.760 355 3HG2 THR 124 3HG2 THR 124 132.609 -11.042 -6.891 356 H GLY 125 H GLY 125 133.668 -13.265 -10.920 357 1HA GLY 125 2HA GLY 125 135.039 -15.821 -10.818 358 2HA GLY 125 1HA GLY 125 134.642 -14.905 -12.264 359 H GLU 126 H GLU 126 135.864 -12.445 -11.167 360 HA GLU 126 HA GLU 126 138.489 -12.847 -12.180 361 1HB GLU 126 2HB GLU 126 137.315 -10.494 -10.687 362 2HB GLU 126 1HB GLU 126 138.856 -10.487 -11.533 363 1HG GLU 126 2HG GLU 126 136.368 -11.221 -13.004 364 2HG GLU 126 1HG GLU 126 136.724 -9.526 -12.670 365 H THR 127 H THR 127 140.349 -13.292 -11.165 366 HA THR 127 HA THR 127 140.267 -13.971 -8.363 367 HB THR 127 HB THR 127 142.769 -14.468 -8.848 368 HG1 THR 127 HG1 THR 127 143.167 -14.773 -11.077 369 1HG2 THR 127 1HG2 THR 127 141.807 -16.382 -10.555 370 2HG2 THR 127 2HG2 THR 127 140.386 -15.943 -9.607 371 3HG2 THR 127 3HG2 THR 127 141.854 -16.490 -8.796 372 H ILE 128 H ILE 128 140.288 -12.305 -6.979 373 HA ILE 128 HA ILE 128 142.114 -10.063 -7.476 374 HB ILE 128 HB ILE 128 139.974 -10.230 -5.357 375 1HG1 ILE 128 2HG1 ILE 128 138.991 -10.471 -7.612 376 2HG1 ILE 128 1HG1 ILE 128 138.543 -8.945 -6.855 377 1HG2 ILE 128 1HG2 ILE 128 141.298 -8.493 -4.693 378 2HG2 ILE 128 2HG2 ILE 128 140.222 -7.642 -5.800 379 3HG2 ILE 128 3HG2 ILE 128 141.831 -8.127 -6.335 380 1HD1 ILE 128 1HD1 ILE 128 139.210 -8.941 -9.326 381 2HD1 ILE 128 2HD1 ILE 128 140.863 -9.109 -8.734 382 3HD1 ILE 128 3HD1 ILE 128 139.900 -7.706 -8.271 383 H THR 129 H THR 129 143.484 -9.281 -5.804 384 HA THR 129 HA THR 129 144.154 -11.308 -3.771 385 HB THR 129 HB THR 129 146.502 -10.293 -3.937 386 HG1 THR 129 HG1 THR 129 146.971 -9.198 -5.802 387 1HG2 THR 129 1HG2 THR 129 146.555 -12.375 -4.826 388 2HG2 THR 129 2HG2 THR 129 146.847 -11.440 -6.291 389 3HG2 THR 129 3HG2 THR 129 145.232 -12.056 -5.946 390 H GLU 130 H GLU 130 145.385 -10.355 -1.886 391 HA GLU 130 HA GLU 130 143.819 -8.445 -0.587 392 1HB GLU 130 2HB GLU 130 146.671 -9.258 0.005 393 2HB GLU 130 1HB GLU 130 145.613 -8.389 1.108 394 1HG GLU 130 2HG GLU 130 144.035 -10.403 0.836 395 2HG GLU 130 1HG GLU 130 145.453 -11.231 0.191 396 H ASP 131 H ASP 131 146.636 -8.094 -2.613 397 HA ASP 131 HA ASP 131 147.245 -5.412 -1.878 398 1HB ASP 131 2HB ASP 131 148.568 -7.319 -3.280 399 2HB ASP 131 1HB ASP 131 147.976 -6.312 -4.599 400 H ASP 132 H ASP 132 145.131 -6.896 -4.240 401 HA ASP 132 HA ASP 132 144.624 -4.512 -5.725 402 1HB ASP 132 2HB ASP 132 143.505 -7.267 -5.641 403 2HB ASP 132 1HB ASP 132 142.486 -6.005 -6.329 404 H ILE 133 H ILE 133 142.969 -6.195 -3.090 405 HA ILE 133 HA ILE 133 140.690 -4.529 -3.012 406 HB ILE 133 HB ILE 133 141.890 -6.034 -0.687 407 1HG1 ILE 133 2HG1 ILE 133 141.639 -7.567 -2.549 408 2HG1 ILE 133 1HG1 ILE 133 140.373 -7.882 -1.369 409 1HG2 ILE 133 1HG2 ILE 133 139.300 -4.689 -1.204 410 2HG2 ILE 133 2HG2 ILE 133 140.225 -4.835 0.290 411 3HG2 ILE 133 3HG2 ILE 133 139.270 -6.198 -0.293 412 1HD1 ILE 133 1HD1 ILE 133 140.162 -6.630 -4.072 413 2HD1 ILE 133 2HD1 ILE 133 138.931 -6.341 -2.842 414 3HD1 ILE 133 3HD1 ILE 133 139.260 -7.984 -3.391 415 H GLU 134 H GLU 134 143.914 -4.175 -1.764 416 HA GLU 134 HA GLU 134 143.478 -2.304 0.265 417 1HB GLU 134 2HB GLU 134 145.777 -3.042 -1.474 418 2HB GLU 134 1HB GLU 134 145.881 -1.520 -0.600 419 1HG GLU 134 2HG GLU 134 145.642 -2.633 1.502 420 2HG GLU 134 1HG GLU 134 145.302 -4.168 0.703 421 H GLU 135 H GLU 135 143.573 -1.943 -3.208 422 HA GLU 135 HA GLU 135 143.814 0.892 -3.244 423 1HB GLU 135 2HB GLU 135 142.757 -1.028 -5.326 424 2HB GLU 135 1HB GLU 135 143.064 0.680 -5.611 425 1HG GLU 135 2HG GLU 135 145.435 -0.276 -4.535 426 2HG GLU 135 1HG GLU 135 144.890 -1.557 -5.615 427 H LEU 136 H LEU 136 141.085 -1.341 -3.240 428 HA LEU 136 HA LEU 136 139.069 0.565 -3.746 429 1HB LEU 136 2HB LEU 136 139.225 -2.227 -2.919 430 2HB LEU 136 1HB LEU 136 137.874 -1.384 -2.185 431 HG LEU 136 HG LEU 136 137.585 -0.599 -4.763 432 1HD1 LEU 136 1HD1 LEU 136 138.141 -3.453 -5.227 433 2HD1 LEU 136 2HD1 LEU 136 139.554 -2.408 -5.070 434 3HD1 LEU 136 3HD1 LEU 136 138.337 -2.065 -6.298 435 1HD2 LEU 136 1HD2 LEU 136 135.660 -1.376 -3.856 436 2HD2 LEU 136 2HD2 LEU 136 136.448 -2.755 -3.089 437 3HD2 LEU 136 3HD2 LEU 136 136.072 -2.800 -4.811 438 H MET 137 H MET 137 140.393 -0.734 -0.721 439 HA MET 137 HA MET 137 138.688 0.857 0.937 440 1HB MET 137 2HB MET 137 141.275 -0.457 1.763 441 2HB MET 137 1HB MET 137 139.904 -0.042 2.782 442 1HG MET 137 2HG MET 137 140.004 -2.179 0.669 443 2HG MET 137 1HG MET 137 139.946 -2.411 2.416 444 1HE MET 137 1HE MET 137 138.138 -2.014 3.886 445 2HE MET 137 2HE MET 137 136.430 -1.874 3.466 446 3HE MET 137 3HE MET 137 137.459 -0.441 3.465 447 H LYS 138 H LYS 138 141.829 1.261 -0.512 448 HA LYS 138 HA LYS 138 142.893 3.267 1.101 449 1HB LYS 138 2HB LYS 138 143.416 2.151 -1.514 450 2HB LYS 138 1HB LYS 138 143.664 3.892 -1.523 451 1HG LYS 138 2HG LYS 138 145.078 3.525 0.569 452 2HG LYS 138 1HG LYS 138 145.046 1.814 0.135 453 1HD LYS 138 2HD LYS 138 146.525 2.098 -1.521 454 2HD LYS 138 1HD LYS 138 145.714 3.551 -2.110 455 1HE LYS 138 2HE LYS 138 146.763 4.660 -0.002 456 2HE LYS 138 1HE LYS 138 147.859 3.280 -0.043 457 1HZ LYS 138 1HZ LYS 138 147.606 5.511 -1.920 458 2HZ LYS 138 2HZ LYS 138 148.052 4.005 -2.545 459 3HZ LYS 138 3HZ LYS 138 148.996 4.734 -1.346 460 H ASP 139 H ASP 139 141.065 3.661 -1.938 461 HA ASP 139 HA ASP 139 140.751 6.486 -1.481 462 1HB ASP 139 2HB ASP 139 139.674 6.559 -3.608 463 2HB ASP 139 1HB ASP 139 141.013 5.426 -3.757 464 H GLY 140 H GLY 140 139.003 3.641 -0.678 465 1HA GLY 140 2HA GLY 140 136.429 4.922 -0.458 466 2HA GLY 140 1HA GLY 140 136.841 3.302 0.086 467 H ASP 141 H ASP 141 139.151 4.358 1.641 468 HA ASP 141 HA ASP 141 137.676 4.931 4.054 469 1HB ASP 141 2HB ASP 141 139.640 3.382 3.993 470 2HB ASP 141 1HB ASP 141 140.672 4.772 3.669 471 H LYS 142 H LYS 142 137.055 6.929 4.523 472 HA LYS 142 HA LYS 142 138.646 9.194 3.561 473 1HB LYS 142 2HB LYS 142 135.865 9.135 4.744 474 2HB LYS 142 1HB LYS 142 136.673 10.557 4.102 475 1HG LYS 142 2HG LYS 142 136.160 8.121 2.428 476 2HG LYS 142 1HG LYS 142 134.973 9.415 2.607 477 1HD LYS 142 2HD LYS 142 137.785 10.050 1.806 478 2HD LYS 142 1HD LYS 142 136.632 9.462 0.606 479 1HE LYS 142 2HE LYS 142 136.260 11.699 0.398 480 2HE LYS 142 1HE LYS 142 135.115 11.343 1.690 481 1HZ LYS 142 1HZ LYS 142 137.817 12.007 2.527 482 2HZ LYS 142 2HZ LYS 142 136.333 12.464 3.196 483 3HZ LYS 142 3HZ LYS 142 136.932 13.271 1.836 484 H ASN 143 H ASN 143 137.676 7.550 6.458 485 HA ASN 143 HA ASN 143 138.504 9.703 8.207 486 1HB ASN 143 2HB ASN 143 137.494 6.904 8.689 487 2HB ASN 143 1HB ASN 143 138.082 7.924 9.998 488 1HD2 ASN 143 1HD2 ASN 143 136.799 9.481 10.805 489 2HD2 ASN 143 2HD2 ASN 143 135.201 9.817 10.243 490 H ASN 144 H ASN 144 139.969 7.046 6.633 491 HA ASN 144 HA ASN 144 142.094 6.248 6.625 492 1HB ASN 144 2HB ASN 144 142.350 8.909 7.816 493 2HB ASN 144 1HB ASN 144 143.616 7.801 8.333 494 1HD2 ASN 144 1HD2 ASN 144 144.070 10.076 6.784 495 2HD2 ASN 144 2HD2 ASN 144 144.633 9.575 5.228 496 H ASP 145 H ASP 145 140.129 5.364 8.573 497 HA ASP 145 HA ASP 145 141.708 4.749 10.946 498 1HB ASP 145 2HB ASP 145 139.627 3.779 11.825 499 2HB ASP 145 1HB ASP 145 139.372 5.428 11.260 500 H GLY 146 H GLY 146 140.656 3.284 7.989 501 1HA GLY 146 2HA GLY 146 142.073 1.356 7.316 502 2HA GLY 146 1HA GLY 146 141.761 0.704 8.918 503 H ARG 147 H ARG 147 138.908 1.801 8.601 504 HA ARG 147 HA ARG 147 137.911 -0.271 6.764 505 1HB ARG 147 2HB ARG 147 136.941 0.364 9.552 506 2HB ARG 147 1HB ARG 147 136.017 -0.596 8.403 507 1HG ARG 147 2HG ARG 147 138.352 -1.915 8.317 508 2HG ARG 147 1HG ARG 147 138.410 -1.298 9.969 509 1HD ARG 147 2HD ARG 147 135.913 -2.192 9.984 510 2HD ARG 147 1HD ARG 147 136.551 -3.252 8.729 511 HE ARG 147 HE ARG 147 137.747 -4.375 10.328 512 1HH1 ARG 147 1HH1 ARG 147 136.596 -1.368 11.672 513 2HH1 ARG 147 2HH1 ARG 147 137.078 -1.760 13.288 514 1HH2 ARG 147 1HH2 ARG 147 138.383 -4.893 12.454 515 2HH2 ARG 147 2HH2 ARG 147 138.093 -3.762 13.733 516 H ILE 148 H ILE 148 135.455 0.079 6.397 517 HA ILE 148 HA ILE 148 134.999 2.962 5.970 518 HB ILE 148 HB ILE 148 133.934 0.719 4.253 519 1HG1 ILE 148 2HG1 ILE 148 136.082 2.656 3.429 520 2HG1 ILE 148 1HG1 ILE 148 136.490 1.152 4.249 521 1HG2 ILE 148 1HG2 ILE 148 133.965 3.707 3.839 522 2HG2 ILE 148 2HG2 ILE 148 132.558 2.735 4.268 523 3HG2 ILE 148 3HG2 ILE 148 133.340 2.510 2.704 524 1HD1 ILE 148 1HD1 ILE 148 134.939 1.346 1.679 525 2HD1 ILE 148 2HD1 ILE 148 135.485 -0.130 2.475 526 3HD1 ILE 148 3HD1 ILE 148 136.664 0.997 1.805 527 H ASP 149 H ASP 149 132.871 3.745 6.181 528 HA ASP 149 HA ASP 149 130.938 1.923 7.432 529 1HB ASP 149 2HB ASP 149 130.368 3.667 9.091 530 2HB ASP 149 1HB ASP 149 132.033 3.116 9.255 531 H TYR 150 H TYR 150 128.828 3.460 7.844 532 HA TYR 150 HA TYR 150 127.732 3.866 5.304 533 1HB TYR 150 2HB TYR 150 126.419 3.429 7.372 534 2HB TYR 150 1HB TYR 150 126.780 5.065 7.914 535 HD1 TYR 150 HD1 TYR 150 124.861 6.344 7.822 536 HD2 TYR 150 HD2 TYR 150 125.689 3.668 4.619 537 HE1 TYR 150 HE1 TYR 150 122.884 7.179 6.621 538 HE2 TYR 150 HE2 TYR 150 123.716 4.496 3.408 539 HH TYR 150 HH TYR 150 121.560 5.609 3.946 540 H ASP 151 H ASP 151 129.095 6.167 7.622 541 HA ASP 151 HA ASP 151 128.435 8.516 6.226 542 1HB ASP 151 2HB ASP 151 130.296 7.776 8.406 543 2HB ASP 151 1HB ASP 151 130.701 9.242 7.517 544 H GLU 152 H GLU 152 131.428 6.587 6.227 545 HA GLU 152 HA GLU 152 132.785 8.175 4.328 546 1HB GLU 152 2HB GLU 152 133.206 5.235 4.891 547 2HB GLU 152 1HB GLU 152 134.366 6.348 4.176 548 1HG GLU 152 2HG GLU 152 134.396 7.619 6.289 549 2HG GLU 152 1HG GLU 152 133.313 6.420 6.993 550 H PHE 153 H PHE 153 130.759 5.293 4.026 551 HA PHE 153 HA PHE 153 131.184 4.791 1.305 552 1HB PHE 153 2HB PHE 153 130.013 3.289 2.971 553 2HB PHE 153 1HB PHE 153 128.593 4.314 2.784 554 HD1 PHE 153 HD1 PHE 153 126.975 3.383 1.468 555 HD2 PHE 153 HD2 PHE 153 131.059 2.723 0.471 556 HE1 PHE 153 HE1 PHE 153 126.279 2.064 -0.489 557 HE2 PHE 153 HE2 PHE 153 130.371 1.405 -1.489 558 HZ PHE 153 HZ PHE 153 127.979 1.073 -1.971 559 H LEU 154 H LEU 154 128.858 6.892 2.942 560 HA LEU 154 HA LEU 154 127.394 7.625 0.644 561 1HB LEU 154 2HB LEU 154 127.389 8.250 3.410 562 2HB LEU 154 1HB LEU 154 127.444 9.769 2.537 563 HG LEU 154 HG LEU 154 125.147 9.157 3.021 564 1HD1 LEU 154 1HD1 LEU 154 124.280 9.074 0.650 565 2HD1 LEU 154 2HD1 LEU 154 125.962 8.989 0.133 566 3HD1 LEU 154 3HD1 LEU 154 125.386 10.395 1.027 567 1HD2 LEU 154 1HD2 LEU 154 124.873 6.918 3.210 568 2HD2 LEU 154 2HD2 LEU 154 126.024 6.558 1.922 569 3HD2 LEU 154 3HD2 LEU 154 124.388 7.077 1.522 570 H GLU 155 H GLU 155 130.063 9.258 2.343 571 HA GLU 155 HA GLU 155 130.252 11.427 0.546 572 1HB GLU 155 2HB GLU 155 132.187 10.233 2.524 573 2HB GLU 155 1HB GLU 155 132.599 11.633 1.542 574 1HG GLU 155 2HG GLU 155 130.053 12.012 2.822 575 2HG GLU 155 1HG GLU 155 131.294 11.605 4.006 576 H PHE 156 H PHE 156 132.056 8.377 0.781 577 HA PHE 156 HA PHE 156 133.814 8.833 -1.350 578 1HB PHE 156 2HB PHE 156 134.126 7.024 0.282 579 2HB PHE 156 1HB PHE 156 132.702 6.203 -0.346 580 HD1 PHE 156 HD1 PHE 156 133.402 4.252 -1.344 581 HD2 PHE 156 HD2 PHE 156 135.566 7.843 -2.078 582 HE1 PHE 156 HE1 PHE 156 134.808 3.066 -2.980 583 HE2 PHE 156 HE2 PHE 156 136.974 6.664 -3.715 584 HZ PHE 156 HZ PHE 156 136.594 4.273 -4.169 585 H MET 157 H MET 157 130.497 7.749 -1.276 586 HA MET 157 HA MET 157 130.553 7.305 -4.179 587 1HB MET 157 2HB MET 157 128.615 6.457 -2.033 588 2HB MET 157 1HB MET 157 128.228 6.342 -3.743 589 1HG MET 157 2HG MET 157 130.750 5.117 -2.741 590 2HG MET 157 1HG MET 157 129.215 4.301 -2.449 591 1HE MET 157 1HE MET 157 127.432 4.671 -4.571 592 2HE MET 157 2HE MET 157 127.843 2.956 -4.522 593 3HE MET 157 3HE MET 157 127.848 3.820 -6.059 594 H LYS 158 H LYS 158 130.497 9.941 -2.728 595 HA LYS 158 HA LYS 158 127.874 10.987 -3.434 596 1HB LYS 158 2HB LYS 158 129.418 11.574 -1.352 597 2HB LYS 158 1HB LYS 158 130.070 12.756 -2.479 598 1HG LYS 158 2HG LYS 158 128.138 13.973 -2.541 599 2HG LYS 158 1HG LYS 158 127.120 12.581 -2.163 600 1HD LYS 158 2HD LYS 158 127.076 13.232 -0.038 601 2HD LYS 158 1HD LYS 158 128.818 12.971 0.056 602 1HE LYS 158 2HE LYS 158 128.702 15.380 -1.198 603 2HE LYS 158 1HE LYS 158 127.285 15.467 -0.154 604 1HZ LYS 158 1HZ LYS 158 130.101 15.448 0.542 605 2HZ LYS 158 2HZ LYS 158 129.103 14.522 1.546 606 3HZ LYS 158 3HZ LYS 158 128.792 16.171 1.336 607 H GLY 159 H GLY 159 129.911 10.082 -5.472 608 1HA GLY 159 2HA GLY 159 129.887 10.922 -7.718 609 2HA GLY 159 1HA GLY 159 129.842 12.553 -7.067 610 H VAL 160 H VAL 160 131.938 9.674 -6.865 611 HA VAL 160 HA VAL 160 134.272 11.442 -6.864 612 HB VAL 160 HB VAL 160 135.510 9.268 -6.358 613 1HG1 VAL 160 1HG1 VAL 160 135.340 10.704 -4.558 614 2HG1 VAL 160 2HG1 VAL 160 134.534 9.259 -3.948 615 3HG1 VAL 160 3HG1 VAL 160 133.578 10.623 -4.527 616 1HG2 VAL 160 1HG2 VAL 160 132.739 8.287 -5.695 617 2HG2 VAL 160 2HG2 VAL 160 134.259 7.409 -5.520 618 3HG2 VAL 160 3HG2 VAL 160 133.646 7.799 -7.126 619 H GLU 161 H GLU 161 132.748 8.852 -8.681 620 HA GLU 161 HA GLU 161 134.935 8.689 -10.573 621 1HB GLU 161 2HB GLU 161 133.385 7.088 -11.758 622 2HB GLU 161 1HB GLU 161 133.837 6.627 -10.123 623 1HG GLU 161 2HG GLU 161 131.722 6.579 -9.477 624 2HG GLU 161 1HG GLU 161 131.435 8.206 -10.095 Start of MODEL 15 1 1H MET 81 1HT MET 81 92.274 16.726 -1.859 2 2H MET 81 2HT MET 81 91.479 16.607 -0.343 3 3H MET 81 3HT MET 81 91.469 15.275 -1.426 4 HA MET 81 HA MET 81 93.652 16.348 0.197 5 1HB MET 81 2HB MET 81 93.795 14.065 0.947 6 2HB MET 81 1HB MET 81 92.113 14.568 1.031 7 1HG MET 81 2HG MET 81 92.243 13.477 -1.462 8 2HG MET 81 1HG MET 81 93.380 12.473 -0.566 9 1HE MET 81 1HE MET 81 89.237 13.036 -0.917 10 2HE MET 81 2HE MET 81 89.481 11.314 -1.204 11 3HE MET 81 3HE MET 81 90.489 12.497 -2.036 12 H VAL 82 H VAL 82 95.737 15.173 -0.127 13 HA VAL 82 HA VAL 82 96.277 14.880 -3.008 14 HB VAL 82 HB VAL 82 98.322 15.489 -0.877 15 1HG1 VAL 82 1HG1 VAL 82 98.555 14.733 -3.557 16 2HG1 VAL 82 2HG1 VAL 82 99.821 15.379 -2.513 17 3HG1 VAL 82 3HG1 VAL 82 98.875 16.466 -3.528 18 1HG2 VAL 82 1HG2 VAL 82 98.076 17.827 -2.179 19 2HG2 VAL 82 2HG2 VAL 82 97.208 17.449 -0.691 20 3HG2 VAL 82 3HG2 VAL 82 96.406 17.266 -2.251 21 H ARG 83 H ARG 83 95.394 12.820 -0.953 22 HA ARG 83 HA ARG 83 95.835 10.658 -0.391 23 1HB ARG 83 2HB ARG 83 96.895 11.055 -3.102 24 2HB ARG 83 1HB ARG 83 97.586 9.675 -2.259 25 1HG ARG 83 2HG ARG 83 95.744 8.839 -3.445 26 2HG ARG 83 1HG ARG 83 95.209 8.957 -1.768 27 1HD ARG 83 2HD ARG 83 94.415 11.347 -2.556 28 2HD ARG 83 1HD ARG 83 94.419 10.574 -4.140 29 HE ARG 83 HE ARG 83 92.541 10.157 -2.026 30 1HH1 ARG 83 1HH1 ARG 83 94.086 8.632 -4.759 31 2HH1 ARG 83 2HH1 ARG 83 92.799 7.505 -5.016 32 1HH2 ARG 83 1HH2 ARG 83 90.847 8.673 -2.362 33 2HH2 ARG 83 2HH2 ARG 83 90.959 7.527 -3.657 34 H CYS 84 H CYS 84 97.919 8.998 -0.404 35 HA CYS 84 HA CYS 84 100.001 10.459 1.082 36 1HB CYS 84 2HB CYS 84 99.007 7.627 1.461 37 2HB CYS 84 1HB CYS 84 100.356 8.341 2.335 38 HG CYS 84 HG CYS 84 98.582 8.875 3.959 39 H MET 85 H MET 85 101.991 8.727 1.286 40 HA MET 85 HA MET 85 103.774 7.801 0.222 41 1HB MET 85 2HB MET 85 101.454 6.807 -1.290 42 2HB MET 85 1HB MET 85 102.965 6.790 -2.189 43 1HG MET 85 2HG MET 85 103.773 5.712 0.148 44 2HG MET 85 1HG MET 85 102.101 5.158 0.094 45 1HE MET 85 1HE MET 85 101.719 3.051 -0.430 46 2HE MET 85 2HE MET 85 102.336 2.080 -1.769 47 3HE MET 85 3HE MET 85 101.206 3.398 -2.082 48 H LYS 86 H LYS 86 103.087 10.575 -0.191 49 HA LYS 86 HA LYS 86 103.359 11.402 -2.853 50 1HB LYS 86 2HB LYS 86 102.673 12.843 -0.920 51 2HB LYS 86 1HB LYS 86 104.354 12.872 -0.409 52 1HG LYS 86 2HG LYS 86 104.729 13.714 -2.880 53 2HG LYS 86 1HG LYS 86 103.045 14.213 -2.709 54 1HD LYS 86 2HD LYS 86 105.197 14.917 -0.721 55 2HD LYS 86 1HD LYS 86 104.752 15.951 -2.081 56 1HE LYS 86 2HE LYS 86 102.798 16.582 -1.135 57 2HE LYS 86 1HE LYS 86 102.524 15.004 -0.397 58 1HZ LYS 86 1HZ LYS 86 102.906 16.559 1.334 59 2HZ LYS 86 2HZ LYS 86 104.299 17.166 0.591 60 3HZ LYS 86 3HZ LYS 86 104.297 15.599 1.229 61 H ASP 87 H ASP 87 105.822 10.933 -0.336 62 HA ASP 87 HA ASP 87 107.966 11.470 -2.205 63 1HB ASP 87 2HB ASP 87 109.448 11.058 -0.288 64 2HB ASP 87 1HB ASP 87 108.178 12.205 0.125 65 H ASP 88 H ASP 88 106.366 8.714 -0.790 66 HA ASP 88 HA ASP 88 108.268 6.729 -1.247 67 1HB ASP 88 2HB ASP 88 105.565 6.846 -0.427 68 2HB ASP 88 1HB ASP 88 105.635 5.700 -1.763 69 H SER 89 H SER 89 106.314 8.485 -3.480 70 HA SER 89 HA SER 89 106.785 6.544 -5.615 71 1HB SER 89 2HB SER 89 104.951 8.865 -5.241 72 2HB SER 89 1HB SER 89 105.433 8.455 -6.888 73 HG SER 89 HG SER 89 103.590 7.302 -6.392 74 H LYS 90 H LYS 90 109.058 7.867 -4.560 75 HA LYS 90 HA LYS 90 109.822 9.577 -6.838 76 1HB LYS 90 2HB LYS 90 109.777 10.391 -4.269 77 2HB LYS 90 1HB LYS 90 111.403 9.724 -4.335 78 1HG LYS 90 2HG LYS 90 111.254 11.235 -6.629 79 2HG LYS 90 1HG LYS 90 110.347 12.188 -5.454 80 1HD LYS 90 2HD LYS 90 112.186 12.376 -4.016 81 2HD LYS 90 1HD LYS 90 113.040 11.036 -4.790 82 1HE LYS 90 2HE LYS 90 113.270 12.416 -6.829 83 2HE LYS 90 1HE LYS 90 112.506 13.758 -5.978 84 1HZ LYS 90 1HZ LYS 90 114.455 13.142 -4.279 85 2HZ LYS 90 2HZ LYS 90 114.632 14.278 -5.519 86 3HZ LYS 90 3HZ LYS 90 115.199 12.698 -5.731 87 H GLY 91 H GLY 91 112.409 9.630 -6.883 88 1HA GLY 91 2HA GLY 91 113.181 7.019 -7.703 89 2HA GLY 91 1HA GLY 91 114.226 8.429 -7.625 90 H LYS 92 H LYS 92 115.980 7.862 -6.517 91 HA LYS 92 HA LYS 92 115.617 6.329 -4.028 92 1HB LYS 92 2HB LYS 92 117.961 5.623 -4.293 93 2HB LYS 92 1HB LYS 92 116.971 5.143 -5.666 94 1HG LYS 92 2HG LYS 92 117.957 7.611 -6.411 95 2HG LYS 92 1HG LYS 92 119.308 6.857 -5.563 96 1HD LYS 92 2HD LYS 92 118.439 4.791 -7.089 97 2HD LYS 92 1HD LYS 92 118.055 6.161 -8.132 98 1HE LYS 92 2HE LYS 92 120.563 6.800 -7.284 99 2HE LYS 92 1HE LYS 92 120.654 5.041 -7.357 100 1HZ LYS 92 1HZ LYS 92 119.920 5.117 -9.645 101 2HZ LYS 92 2HZ LYS 92 121.296 6.082 -9.452 102 3HZ LYS 92 3HZ LYS 92 119.771 6.802 -9.580 103 H THR 93 H THR 93 116.034 7.327 -2.172 104 HA THR 93 HA THR 93 117.147 10.005 -2.219 105 HB THR 93 HB THR 93 116.482 8.738 0.372 106 HG1 THR 93 HG1 THR 93 114.516 9.249 -1.606 107 1HG2 THR 93 1HG2 THR 93 116.518 10.907 0.853 108 2HG2 THR 93 2HG2 THR 93 114.937 10.978 0.076 109 3HG2 THR 93 3HG2 THR 93 116.390 11.378 -0.840 110 H GLU 94 H GLU 94 118.427 10.308 0.117 111 HA GLU 94 HA GLU 94 120.988 9.216 -0.413 112 1HB GLU 94 2HB GLU 94 120.073 11.367 0.989 113 2HB GLU 94 1HB GLU 94 120.518 10.279 2.296 114 1HG GLU 94 2HG GLU 94 122.481 11.391 2.005 115 2HG GLU 94 1HG GLU 94 122.730 10.031 0.911 116 H GLU 95 H GLU 95 118.420 8.386 1.838 117 HA GLU 95 HA GLU 95 119.861 6.622 3.478 118 1HB GLU 95 2HB GLU 95 117.211 7.509 3.271 119 2HB GLU 95 1HB GLU 95 117.123 5.762 3.088 120 1HG GLU 95 2HG GLU 95 117.011 5.820 5.329 121 2HG GLU 95 1HG GLU 95 118.767 5.900 5.196 122 H GLU 96 H GLU 96 118.486 6.242 0.301 123 HA GLU 96 HA GLU 96 118.316 3.466 0.134 124 1HB GLU 96 2HB GLU 96 118.961 5.519 -1.982 125 2HB GLU 96 1HB GLU 96 118.665 3.823 -2.337 126 1HG GLU 96 2HG GLU 96 116.666 5.479 -0.845 127 2HG GLU 96 1HG GLU 96 116.733 5.474 -2.605 128 H LEU 97 H LEU 97 121.083 5.565 0.081 129 HA LEU 97 HA LEU 97 122.970 3.953 -1.176 130 1HB LEU 97 2HB LEU 97 123.124 6.065 0.934 131 2HB LEU 97 1HB LEU 97 124.564 5.149 0.531 132 HG LEU 97 HG LEU 97 122.941 6.773 -1.431 133 1HD1 LEU 97 1HD1 LEU 97 124.233 8.032 0.356 134 2HD1 LEU 97 2HD1 LEU 97 124.602 8.429 -1.321 135 3HD1 LEU 97 3HD1 LEU 97 125.692 7.393 -0.400 136 1HD2 LEU 97 1HD2 LEU 97 125.508 5.222 -1.701 137 2HD2 LEU 97 2HD2 LEU 97 124.951 6.413 -2.877 138 3HD2 LEU 97 3HD2 LEU 97 123.996 4.963 -2.569 139 H SER 98 H SER 98 121.577 3.728 2.008 140 HA SER 98 HA SER 98 123.488 2.139 3.283 141 1HB SER 98 2HB SER 98 121.437 3.235 4.315 142 2HB SER 98 1HB SER 98 120.507 1.875 3.691 143 HG SER 98 HG SER 98 121.077 1.009 5.531 144 H ASP 99 H ASP 99 121.037 1.332 0.932 145 HA ASP 99 HA ASP 99 121.037 -1.469 1.312 146 1HB ASP 99 2HB ASP 99 119.549 0.250 -0.183 147 2HB ASP 99 1HB ASP 99 120.553 -0.483 -1.430 148 H LEU 100 H LEU 100 122.971 0.683 -0.705 149 HA LEU 100 HA LEU 100 124.311 -1.390 -2.123 150 1HB LEU 100 2HB LEU 100 124.734 1.547 -1.756 151 2HB LEU 100 1HB LEU 100 126.011 0.580 -2.471 152 HG LEU 100 HG LEU 100 123.276 0.330 -3.618 153 1HD1 LEU 100 1HD1 LEU 100 125.011 2.520 -4.629 154 2HD1 LEU 100 2HD1 LEU 100 124.011 2.825 -3.210 155 3HD1 LEU 100 3HD1 LEU 100 123.261 2.326 -4.726 156 1HD2 LEU 100 1HD2 LEU 100 126.096 -0.035 -4.460 157 2HD2 LEU 100 2HD2 LEU 100 124.929 0.447 -5.691 158 3HD2 LEU 100 3HD2 LEU 100 124.680 -1.038 -4.773 159 H PHE 101 H PHE 101 124.903 0.319 0.875 160 HA PHE 101 HA PHE 101 127.588 -0.438 1.257 161 1HB PHE 101 2HB PHE 101 126.487 1.349 2.551 162 2HB PHE 101 1HB PHE 101 125.472 0.146 3.341 163 HD1 PHE 101 HD1 PHE 101 126.345 -1.282 5.066 164 HD2 PHE 101 HD2 PHE 101 128.852 1.530 3.085 165 HE1 PHE 101 HE1 PHE 101 128.054 -1.579 6.813 166 HE2 PHE 101 HE2 PHE 101 130.564 1.235 4.826 167 HZ PHE 101 HZ PHE 101 130.166 -0.320 6.693 168 H ARG 102 H ARG 102 124.541 -2.004 2.101 169 HA ARG 102 HA ARG 102 125.573 -4.066 3.693 170 1HB ARG 102 2HB ARG 102 123.169 -3.501 3.523 171 2HB ARG 102 1HB ARG 102 123.148 -4.151 1.891 172 1HG ARG 102 2HG ARG 102 122.382 -5.973 2.983 173 2HG ARG 102 1HG ARG 102 124.109 -6.285 3.158 174 1HD ARG 102 2HD ARG 102 123.865 -4.885 5.338 175 2HD ARG 102 1HD ARG 102 122.151 -5.266 5.175 176 HE ARG 102 HE ARG 102 124.241 -7.039 5.995 177 1HH1 ARG 102 1HH1 ARG 102 121.127 -6.883 4.425 178 2HH1 ARG 102 2HH1 ARG 102 120.707 -8.516 4.821 179 1HH2 ARG 102 1HH2 ARG 102 123.689 -9.186 6.517 180 2HH2 ARG 102 2HH2 ARG 102 122.161 -9.823 6.008 181 H MET 103 H MET 103 125.460 -3.653 0.234 182 HA MET 103 HA MET 103 125.808 -6.291 -0.604 183 1HB MET 103 2HB MET 103 126.868 -3.745 -1.840 184 2HB MET 103 1HB MET 103 126.812 -5.304 -2.648 185 1HG MET 103 2HG MET 103 124.248 -4.456 -1.538 186 2HG MET 103 1HG MET 103 124.888 -3.379 -2.779 187 1HE MET 103 1HE MET 103 125.220 -3.686 -4.898 188 2HE MET 103 2HE MET 103 123.626 -4.173 -5.475 189 3HE MET 103 3HE MET 103 125.047 -5.127 -5.901 190 H PHE 104 H PHE 104 128.137 -3.925 0.559 191 HA PHE 104 HA PHE 104 130.375 -5.701 0.038 192 1HB PHE 104 2HB PHE 104 130.142 -2.919 1.168 193 2HB PHE 104 1HB PHE 104 131.658 -3.812 1.214 194 HD1 PHE 104 HD1 PHE 104 132.831 -4.374 -0.859 195 HD2 PHE 104 HD2 PHE 104 129.298 -2.003 -0.869 196 HE1 PHE 104 HE1 PHE 104 133.342 -3.630 -3.149 197 HE2 PHE 104 HE2 PHE 104 129.799 -1.256 -3.159 198 HZ PHE 104 HZ PHE 104 131.824 -2.071 -4.301 199 H ASP 105 H ASP 105 128.381 -4.657 2.708 200 HA ASP 105 HA ASP 105 130.053 -5.618 4.792 201 1HB ASP 105 2HB ASP 105 127.819 -4.070 4.717 202 2HB ASP 105 1HB ASP 105 127.143 -5.593 5.285 203 H LYS 106 H LYS 106 130.156 -7.569 5.787 204 HA LYS 106 HA LYS 106 128.728 -9.773 4.480 205 1HB LYS 106 2HB LYS 106 131.189 -9.762 6.236 206 2HB LYS 106 1HB LYS 106 130.435 -11.216 5.596 207 1HG LYS 106 2HG LYS 106 131.225 -9.072 3.692 208 2HG LYS 106 1HG LYS 106 132.481 -10.094 4.396 209 1HD LYS 106 2HD LYS 106 131.862 -11.158 2.386 210 2HD LYS 106 1HD LYS 106 131.066 -12.076 3.667 211 1HE LYS 106 2HE LYS 106 128.978 -11.332 3.089 212 2HE LYS 106 1HE LYS 106 129.585 -9.820 2.418 213 1HZ LYS 106 1HZ LYS 106 128.781 -11.241 0.668 214 2HZ LYS 106 2HZ LYS 106 129.793 -12.503 1.163 215 3HZ LYS 106 3HZ LYS 106 130.460 -11.084 0.529 216 H ASN 107 H ASN 107 129.855 -8.994 7.777 217 HA ASN 107 HA ASN 107 127.760 -10.622 8.925 218 1HB ASN 107 2HB ASN 107 128.776 -9.931 11.097 219 2HB ASN 107 1HB ASN 107 129.923 -10.684 9.992 220 1HD2 ASN 107 1HD2 ASN 107 131.631 -9.703 11.116 221 2HD2 ASN 107 2HD2 ASN 107 132.005 -8.030 10.903 222 H ALA 108 H ALA 108 128.183 -7.340 8.054 223 HA ALA 108 HA ALA 108 126.806 -5.533 8.191 224 1HB ALA 108 1HB ALA 108 124.519 -5.836 8.430 225 2HB ALA 108 2HB ALA 108 124.711 -7.171 9.565 226 3HB ALA 108 3HB ALA 108 125.061 -7.410 7.852 227 H ASP 109 H ASP 109 128.710 -5.723 10.104 228 HA ASP 109 HA ASP 109 127.510 -5.316 12.714 229 1HB ASP 109 2HB ASP 109 129.847 -5.030 13.481 230 2HB ASP 109 1HB ASP 109 129.608 -6.537 12.604 231 H GLY 110 H GLY 110 128.425 -3.414 10.019 232 1HA GLY 110 2HA GLY 110 127.440 -1.112 10.173 233 2HA GLY 110 1HA GLY 110 128.321 -0.976 11.688 234 H TYR 111 H TYR 111 130.581 -2.541 10.367 235 HA TYR 111 HA TYR 111 131.609 -0.398 8.634 236 1HB TYR 111 2HB TYR 111 133.140 -1.785 10.847 237 2HB TYR 111 1HB TYR 111 133.818 -0.623 9.710 238 HD1 TYR 111 HD1 TYR 111 131.133 -0.942 12.280 239 HD2 TYR 111 HD2 TYR 111 133.865 1.629 10.274 240 HE1 TYR 111 HE1 TYR 111 130.508 0.891 13.793 241 HE2 TYR 111 HE2 TYR 111 133.249 3.471 11.782 242 HH TYR 111 HH TYR 111 130.708 3.760 13.388 243 H ILE 112 H ILE 112 133.569 -1.110 7.385 244 HA ILE 112 HA ILE 112 133.469 -3.988 6.773 245 HB ILE 112 HB ILE 112 133.768 -1.837 4.678 246 1HG1 ILE 112 2HG1 ILE 112 131.315 -3.518 5.227 247 2HG1 ILE 112 1HG1 ILE 112 131.504 -1.863 5.796 248 1HG2 ILE 112 1HG2 ILE 112 134.740 -3.739 3.805 249 2HG2 ILE 112 2HG2 ILE 112 133.074 -3.897 3.250 250 3HG2 ILE 112 3HG2 ILE 112 133.629 -4.821 4.645 251 1HD1 ILE 112 1HD1 ILE 112 130.284 -2.505 3.511 252 2HD1 ILE 112 2HD1 ILE 112 131.932 -2.311 2.914 253 3HD1 ILE 112 3HD1 ILE 112 131.136 -0.981 3.755 254 H ASP 113 H ASP 113 135.396 -4.953 6.211 255 HA ASP 113 HA ASP 113 137.797 -3.258 6.200 256 1HB ASP 113 2HB ASP 113 138.941 -5.069 7.550 257 2HB ASP 113 1HB ASP 113 137.742 -4.120 8.424 258 H LEU 114 H LEU 114 139.772 -4.704 5.579 259 HA LEU 114 HA LEU 114 139.423 -5.562 2.955 260 1HB LEU 114 2HB LEU 114 141.597 -6.023 4.973 261 2HB LEU 114 1HB LEU 114 141.685 -6.734 3.373 262 HG LEU 114 HG LEU 114 141.118 -4.034 2.920 263 1HD1 LEU 114 1HD1 LEU 114 143.524 -4.002 4.643 264 2HD1 LEU 114 2HD1 LEU 114 141.954 -3.999 5.447 265 3HD1 LEU 114 3HD1 LEU 114 142.356 -2.726 4.296 266 1HD2 LEU 114 1HD2 LEU 114 143.386 -5.892 2.552 267 2HD2 LEU 114 2HD2 LEU 114 143.744 -4.171 2.412 268 3HD2 LEU 114 3HD2 LEU 114 142.522 -4.906 1.373 269 H GLU 115 H GLU 115 139.156 -7.313 5.960 270 HA GLU 115 HA GLU 115 139.322 -9.932 4.924 271 1HB GLU 115 2HB GLU 115 138.520 -8.669 7.444 272 2HB GLU 115 1HB GLU 115 137.656 -10.161 7.099 273 1HG GLU 115 2HG GLU 115 139.498 -10.838 8.340 274 2HG GLU 115 1HG GLU 115 139.953 -11.185 6.672 275 H GLU 116 H GLU 116 136.618 -7.707 5.364 276 HA GLU 116 HA GLU 116 134.608 -9.578 4.610 277 1HB GLU 116 2HB GLU 116 134.711 -6.618 5.018 278 2HB GLU 116 1HB GLU 116 133.322 -7.319 4.198 279 1HG GLU 116 2HG GLU 116 132.905 -8.755 6.127 280 2HG GLU 116 1HG GLU 116 134.299 -8.054 6.948 281 H LEU 117 H LEU 117 136.490 -7.146 2.886 282 HA LEU 117 HA LEU 117 135.057 -7.324 0.443 283 1HB LEU 117 2HB LEU 117 137.940 -6.513 0.774 284 2HB LEU 117 1HB LEU 117 136.849 -6.061 -0.522 285 HG LEU 117 HG LEU 117 136.409 -5.234 2.341 286 1HD1 LEU 117 1HD1 LEU 117 137.247 -2.982 1.427 287 2HD1 LEU 117 2HD1 LEU 117 138.024 -3.946 0.172 288 3HD1 LEU 117 3HD1 LEU 117 138.441 -4.204 1.865 289 1HD2 LEU 117 1HD2 LEU 117 135.422 -3.667 0.043 290 2HD2 LEU 117 2HD2 LEU 117 134.659 -4.014 1.596 291 3HD2 LEU 117 3HD2 LEU 117 134.649 -5.229 0.316 292 H LYS 118 H LYS 118 137.881 -8.991 1.737 293 HA LYS 118 HA LYS 118 138.702 -10.292 -0.602 294 1HB LYS 118 2HB LYS 118 140.007 -10.172 1.520 295 2HB LYS 118 1HB LYS 118 138.899 -11.340 2.227 296 1HG LYS 118 2HG LYS 118 139.547 -12.932 0.414 297 2HG LYS 118 1HG LYS 118 140.789 -11.774 -0.072 298 1HD LYS 118 2HD LYS 118 141.920 -11.988 2.007 299 2HD LYS 118 1HD LYS 118 140.575 -12.880 2.722 300 1HE LYS 118 2HE LYS 118 141.141 -14.456 0.602 301 2HE LYS 118 1HE LYS 118 142.741 -13.804 0.951 302 1HZ LYS 118 1HZ LYS 118 141.816 -15.952 2.140 303 2HZ LYS 118 2HZ LYS 118 141.179 -14.803 3.207 304 3HZ LYS 118 3HZ LYS 118 142.848 -14.869 2.934 305 H ILE 119 H ILE 119 136.135 -10.998 1.656 306 HA ILE 119 HA ILE 119 135.657 -13.667 0.754 307 HB ILE 119 HB ILE 119 133.745 -11.829 2.200 308 1HG1 ILE 119 2HG1 ILE 119 135.374 -13.929 3.572 309 2HG1 ILE 119 1HG1 ILE 119 136.127 -12.381 3.199 310 1HG2 ILE 119 1HG2 ILE 119 132.856 -14.046 3.038 311 2HG2 ILE 119 2HG2 ILE 119 133.821 -14.804 1.772 312 3HG2 ILE 119 3HG2 ILE 119 132.541 -13.669 1.344 313 1HD1 ILE 119 1HD1 ILE 119 135.357 -11.951 5.290 314 2HD1 ILE 119 2HD1 ILE 119 133.973 -13.032 5.126 315 3HD1 ILE 119 3HD1 ILE 119 133.949 -11.447 4.355 316 H MET 120 H MET 120 133.787 -10.651 0.340 317 HA MET 120 HA MET 120 131.962 -11.664 -1.516 318 1HB MET 120 2HB MET 120 131.540 -9.298 -2.109 319 2HB MET 120 1HB MET 120 131.559 -9.570 -0.372 320 1HG MET 120 2HG MET 120 133.405 -8.315 -0.053 321 2HG MET 120 1HG MET 120 134.121 -8.775 -1.597 322 1HE MET 120 1HE MET 120 133.936 -5.547 -3.337 323 2HE MET 120 2HE MET 120 134.142 -7.268 -3.659 324 3HE MET 120 3HE MET 120 134.987 -6.519 -2.306 325 H LEU 121 H LEU 121 135.220 -10.494 -1.915 326 HA LEU 121 HA LEU 121 135.078 -10.207 -4.760 327 1HB LEU 121 2HB LEU 121 137.400 -10.367 -2.844 328 2HB LEU 121 1HB LEU 121 137.593 -10.131 -4.571 329 HG LEU 121 HG LEU 121 135.872 -8.247 -3.008 330 1HD1 LEU 121 1HD1 LEU 121 138.415 -8.701 -2.175 331 2HD1 LEU 121 2HD1 LEU 121 137.569 -7.161 -2.023 332 3HD1 LEU 121 3HD1 LEU 121 138.666 -7.434 -3.377 333 1HD2 LEU 121 1HD2 LEU 121 136.217 -8.395 -5.603 334 2HD2 LEU 121 2HD2 LEU 121 137.709 -7.528 -5.241 335 3HD2 LEU 121 3HD2 LEU 121 136.153 -6.831 -4.790 336 H GLN 122 H GLN 122 135.852 -12.782 -2.539 337 HA GLN 122 HA GLN 122 137.205 -14.500 -4.305 338 1HB GLN 122 2HB GLN 122 135.819 -14.770 -1.701 339 2HB GLN 122 1HB GLN 122 136.012 -16.250 -2.632 340 1HG GLN 122 2HG GLN 122 138.503 -15.284 -2.817 341 2HG GLN 122 1HG GLN 122 138.027 -14.586 -1.269 342 1HE2 GLN 122 1HE2 GLN 122 137.036 -16.142 0.286 343 2HE2 GLN 122 2HE2 GLN 122 137.722 -17.725 0.373 344 H ALA 123 H ALA 123 133.817 -13.823 -3.834 345 HA ALA 123 HA ALA 123 132.825 -16.109 -5.219 346 1HB ALA 123 1HB ALA 123 131.129 -13.715 -5.214 347 2HB ALA 123 2HB ALA 123 131.696 -14.222 -3.622 348 3HB ALA 123 3HB ALA 123 130.793 -15.348 -4.639 349 H THR 124 H THR 124 133.704 -12.834 -6.162 350 HA THR 124 HA THR 124 132.580 -12.807 -8.725 351 HB THR 124 HB THR 124 133.994 -10.950 -9.187 352 HG1 THR 124 HG1 THR 124 135.669 -12.044 -7.197 353 1HG2 THR 124 1HG2 THR 124 132.894 -9.754 -7.692 354 2HG2 THR 124 2HG2 THR 124 134.183 -10.102 -6.540 355 3HG2 THR 124 3HG2 THR 124 132.757 -11.137 -6.606 356 H GLY 125 H GLY 125 134.024 -12.658 -10.762 357 1HA GLY 125 2HA GLY 125 135.392 -15.219 -10.973 358 2HA GLY 125 1HA GLY 125 134.940 -14.164 -12.305 359 H GLU 126 H GLU 126 136.142 -11.784 -11.375 360 HA GLU 126 HA GLU 126 138.757 -12.110 -12.354 361 1HB GLU 126 2HB GLU 126 137.618 -9.833 -10.722 362 2HB GLU 126 1HB GLU 126 139.106 -9.776 -11.659 363 1HG GLU 126 2HG GLU 126 136.943 -10.648 -13.321 364 2HG GLU 126 1HG GLU 126 136.510 -9.147 -12.503 365 H THR 127 H THR 127 140.637 -12.589 -11.403 366 HA THR 127 HA THR 127 140.680 -13.520 -8.713 367 HB THR 127 HB THR 127 143.009 -14.018 -9.104 368 HG1 THR 127 HG1 THR 127 143.958 -12.422 -10.134 369 1HG2 THR 127 1HG2 THR 127 142.281 -14.572 -11.844 370 2HG2 THR 127 2HG2 THR 127 141.000 -15.010 -10.714 371 3HG2 THR 127 3HG2 THR 127 142.620 -15.679 -10.514 372 H ILE 128 H ILE 128 140.466 -12.081 -7.106 373 HA ILE 128 HA ILE 128 141.858 -9.517 -7.259 374 HB ILE 128 HB ILE 128 139.985 -10.465 -5.093 375 1HG1 ILE 128 2HG1 ILE 128 138.871 -10.489 -7.300 376 2HG1 ILE 128 1HG1 ILE 128 138.219 -9.237 -6.245 377 1HG2 ILE 128 1HG2 ILE 128 140.195 -8.439 -4.157 378 2HG2 ILE 128 2HG2 ILE 128 140.197 -7.611 -5.714 379 3HG2 ILE 128 3HG2 ILE 128 141.682 -8.335 -5.097 380 1HD1 ILE 128 1HD1 ILE 128 138.450 -8.374 -8.467 381 2HD1 ILE 128 2HD1 ILE 128 140.145 -8.854 -8.521 382 3HD1 ILE 128 3HD1 ILE 128 139.624 -7.580 -7.418 383 H THR 129 H THR 129 143.817 -9.326 -6.417 384 HA THR 129 HA THR 129 144.779 -11.284 -4.493 385 HB THR 129 HB THR 129 146.905 -9.700 -4.821 386 HG1 THR 129 HG1 THR 129 146.457 -8.225 -6.235 387 1HG2 THR 129 1HG2 THR 129 146.830 -11.093 -7.262 388 2HG2 THR 129 2HG2 THR 129 145.997 -12.089 -6.068 389 3HG2 THR 129 3HG2 THR 129 147.647 -11.546 -5.766 390 H GLU 130 H GLU 130 146.493 -10.082 -2.902 391 HA GLU 130 HA GLU 130 144.903 -8.837 -0.945 392 1HB GLU 130 2HB GLU 130 147.890 -9.084 -1.272 393 2HB GLU 130 1HB GLU 130 147.157 -8.304 0.122 394 1HG GLU 130 2HG GLU 130 146.053 -10.941 -0.455 395 2HG GLU 130 1HG GLU 130 147.775 -10.954 -0.079 396 H ASP 131 H ASP 131 147.256 -7.511 -3.244 397 HA ASP 131 HA ASP 131 147.084 -4.839 -2.325 398 1HB ASP 131 2HB ASP 131 148.371 -6.275 -4.507 399 2HB ASP 131 1HB ASP 131 147.784 -4.694 -5.017 400 H ASP 132 H ASP 132 145.247 -6.710 -4.650 401 HA ASP 132 HA ASP 132 143.912 -4.575 -5.916 402 1HB ASP 132 2HB ASP 132 143.483 -7.508 -5.667 403 2HB ASP 132 1HB ASP 132 142.111 -6.534 -6.188 404 H ILE 133 H ILE 133 143.172 -6.459 -3.025 405 HA ILE 133 HA ILE 133 140.591 -5.364 -2.593 406 HB ILE 133 HB ILE 133 142.442 -6.523 -0.509 407 1HG1 ILE 133 2HG1 ILE 133 140.304 -8.139 -1.816 408 2HG1 ILE 133 1HG1 ILE 133 141.796 -7.873 -2.713 409 1HG2 ILE 133 1HG2 ILE 133 139.432 -6.437 -0.577 410 2HG2 ILE 133 2HG2 ILE 133 140.438 -5.279 0.294 411 3HG2 ILE 133 3HG2 ILE 133 140.459 -6.983 0.749 412 1HD1 ILE 133 1HD1 ILE 133 142.124 -8.750 0.074 413 2HD1 ILE 133 2HD1 ILE 133 142.986 -9.237 -1.384 414 3HD1 ILE 133 3HD1 ILE 133 141.401 -9.921 -1.027 415 H GLU 134 H GLU 134 143.822 -4.346 -1.744 416 HA GLU 134 HA GLU 134 143.195 -2.506 0.282 417 1HB GLU 134 2HB GLU 134 145.466 -2.573 -1.707 418 2HB GLU 134 1HB GLU 134 145.372 -1.419 -0.384 419 1HG GLU 134 2HG GLU 134 145.344 -3.290 1.213 420 2HG GLU 134 1HG GLU 134 145.522 -4.414 -0.134 421 H GLU 135 H GLU 135 143.117 -2.257 -3.214 422 HA GLU 135 HA GLU 135 142.912 0.533 -3.442 423 1HB GLU 135 2HB GLU 135 141.697 -1.578 -5.233 424 2HB GLU 135 1HB GLU 135 141.965 0.107 -5.660 425 1HG GLU 135 2HG GLU 135 144.348 -0.187 -5.527 426 2HG GLU 135 1HG GLU 135 144.147 -1.837 -4.942 427 H LEU 136 H LEU 136 140.529 -1.935 -2.730 428 HA LEU 136 HA LEU 136 138.220 -0.356 -3.127 429 1HB LEU 136 2HB LEU 136 138.868 -2.975 -2.073 430 2HB LEU 136 1HB LEU 136 137.617 -2.203 -1.115 431 HG LEU 136 HG LEU 136 137.171 -2.030 -4.011 432 1HD1 LEU 136 1HD1 LEU 136 136.595 -4.308 -4.373 433 2HD1 LEU 136 2HD1 LEU 136 136.917 -4.722 -2.689 434 3HD1 LEU 136 3HD1 LEU 136 138.248 -4.279 -3.758 435 1HD2 LEU 136 1HD2 LEU 136 135.664 -1.575 -1.871 436 2HD2 LEU 136 2HD2 LEU 136 135.274 -3.278 -2.106 437 3HD2 LEU 136 3HD2 LEU 136 134.982 -2.121 -3.403 438 H MET 137 H MET 137 140.314 -0.882 -0.341 439 HA MET 137 HA MET 137 138.648 0.781 1.359 440 1HB MET 137 2HB MET 137 140.404 -1.319 1.835 441 2HB MET 137 1HB MET 137 141.267 0.093 2.429 442 1HG MET 137 2HG MET 137 140.120 -0.135 4.308 443 2HG MET 137 1HG MET 137 138.708 0.423 3.414 444 1HE MET 137 1HE MET 137 136.731 -0.898 4.657 445 2HE MET 137 2HE MET 137 136.323 -2.333 3.718 446 3HE MET 137 3HE MET 137 136.739 -0.830 2.895 447 H LYS 138 H LYS 138 141.555 1.026 -0.536 448 HA LYS 138 HA LYS 138 142.755 3.253 0.633 449 1HB LYS 138 2HB LYS 138 143.040 1.737 -1.776 450 2HB LYS 138 1HB LYS 138 143.091 3.447 -2.181 451 1HG LYS 138 2HG LYS 138 144.830 3.714 -0.389 452 2HG LYS 138 1HG LYS 138 144.872 1.953 -0.276 453 1HD LYS 138 2HD LYS 138 145.762 1.713 -2.409 454 2HD LYS 138 1HD LYS 138 145.218 3.312 -2.921 455 1HE LYS 138 2HE LYS 138 146.845 4.217 -1.162 456 2HE LYS 138 1HE LYS 138 147.530 2.593 -1.145 457 1HZ LYS 138 1HZ LYS 138 147.484 3.072 -3.755 458 2HZ LYS 138 2HZ LYS 138 148.806 3.451 -2.769 459 3HZ LYS 138 3HZ LYS 138 147.691 4.652 -3.187 460 H ASP 139 H ASP 139 140.424 3.139 -2.061 461 HA ASP 139 HA ASP 139 140.125 6.016 -2.001 462 1HB ASP 139 2HB ASP 139 138.772 5.772 -3.949 463 2HB ASP 139 1HB ASP 139 140.116 4.651 -4.123 464 H GLY 140 H GLY 140 138.611 3.299 -0.559 465 1HA GLY 140 2HA GLY 140 136.021 4.484 -0.208 466 2HA GLY 140 1HA GLY 140 136.624 3.038 0.590 467 H ASP 141 H ASP 141 138.920 4.171 1.795 468 HA ASP 141 HA ASP 141 137.683 5.389 4.084 469 1HB ASP 141 2HB ASP 141 139.689 3.724 3.995 470 2HB ASP 141 1HB ASP 141 140.654 5.169 3.711 471 H LYS 142 H LYS 142 137.896 7.462 4.832 472 HA LYS 142 HA LYS 142 139.133 9.386 2.971 473 1HB LYS 142 2HB LYS 142 136.796 9.852 4.833 474 2HB LYS 142 1HB LYS 142 137.473 11.019 3.705 475 1HG LYS 142 2HG LYS 142 136.068 8.451 3.005 476 2HG LYS 142 1HG LYS 142 135.448 10.090 2.799 477 1HD LYS 142 2HD LYS 142 137.792 10.250 1.447 478 2HD LYS 142 1HD LYS 142 137.354 8.565 1.159 479 1HE LYS 142 2HE LYS 142 136.507 10.153 -0.566 480 2HE LYS 142 1HE LYS 142 135.252 9.198 0.221 481 1HZ LYS 142 1HZ LYS 142 135.857 11.785 1.410 482 2HZ LYS 142 2HZ LYS 142 134.369 11.007 1.211 483 3HZ LYS 142 3HZ LYS 142 135.082 11.815 -0.093 484 H ASN 143 H ASN 143 138.546 8.582 6.355 485 HA ASN 143 HA ASN 143 140.417 10.661 7.208 486 1HB ASN 143 2HB ASN 143 139.661 10.100 9.493 487 2HB ASN 143 1HB ASN 143 138.321 10.536 8.437 488 1HD2 ASN 143 1HD2 ASN 143 136.997 9.439 9.997 489 2HD2 ASN 143 2HD2 ASN 143 136.838 7.720 9.931 490 H ASN 144 H ASN 144 140.588 7.495 6.248 491 HA ASN 144 HA ASN 144 142.178 5.881 6.414 492 1HB ASN 144 2HB ASN 144 143.640 7.992 6.170 493 2HB ASN 144 1HB ASN 144 143.926 7.830 7.900 494 1HD2 ASN 144 1HD2 ASN 144 145.468 6.496 8.566 495 2HD2 ASN 144 2HD2 ASN 144 146.313 5.367 7.569 496 H ASP 145 H ASP 145 140.376 5.287 8.090 497 HA ASP 145 HA ASP 145 141.511 5.107 10.788 498 1HB ASP 145 2HB ASP 145 139.247 4.465 11.499 499 2HB ASP 145 1HB ASP 145 139.233 5.999 10.633 500 H GLY 146 H GLY 146 140.738 3.210 7.998 501 1HA GLY 146 2HA GLY 146 142.036 1.093 7.886 502 2HA GLY 146 1HA GLY 146 141.440 0.767 9.507 503 H ARG 147 H ARG 147 138.766 1.874 8.794 504 HA ARG 147 HA ARG 147 137.819 -0.199 6.943 505 1HB ARG 147 2HB ARG 147 136.678 0.389 9.680 506 2HB ARG 147 1HB ARG 147 135.892 -0.622 8.474 507 1HG ARG 147 2HG ARG 147 137.865 -2.121 8.518 508 2HG ARG 147 1HG ARG 147 138.528 -1.145 9.831 509 1HD ARG 147 2HD ARG 147 135.762 -2.045 10.233 510 2HD ARG 147 1HD ARG 147 136.956 -3.340 10.165 511 HE ARG 147 HE ARG 147 137.688 -1.166 11.903 512 1HH1 ARG 147 1HH1 ARG 147 135.959 -4.188 11.666 513 2HH1 ARG 147 2HH1 ARG 147 136.056 -4.521 13.361 514 1HH2 ARG 147 1HH2 ARG 147 137.818 -1.602 14.133 515 2HH2 ARG 147 2HH2 ARG 147 137.111 -3.052 14.763 516 H ILE 148 H ILE 148 135.254 0.210 6.740 517 HA ILE 148 HA ILE 148 134.874 3.103 6.331 518 HB ILE 148 HB ILE 148 133.869 0.969 4.449 519 1HG1 ILE 148 2HG1 ILE 148 136.229 2.836 4.118 520 2HG1 ILE 148 1HG1 ILE 148 136.332 1.100 4.392 521 1HG2 ILE 148 1HG2 ILE 148 133.781 3.185 3.005 522 2HG2 ILE 148 2HG2 ILE 148 133.642 3.928 4.599 523 3HG2 ILE 148 3HG2 ILE 148 132.460 2.727 4.081 524 1HD1 ILE 148 1HD1 ILE 148 135.089 2.428 1.996 525 2HD1 ILE 148 2HD1 ILE 148 135.223 0.690 2.268 526 3HD1 ILE 148 3HD1 ILE 148 136.679 1.664 2.053 527 H ASP 149 H ASP 149 132.793 3.898 6.608 528 HA ASP 149 HA ASP 149 130.762 2.009 7.570 529 1HB ASP 149 2HB ASP 149 130.167 3.546 9.395 530 2HB ASP 149 1HB ASP 149 131.832 2.993 9.547 531 H TYR 150 H TYR 150 128.612 3.368 7.922 532 HA TYR 150 HA TYR 150 127.717 4.143 5.414 533 1HB TYR 150 2HB TYR 150 126.290 3.475 7.372 534 2HB TYR 150 1HB TYR 150 126.550 5.084 8.037 535 HD1 TYR 150 HD1 TYR 150 125.681 3.757 4.646 536 HD2 TYR 150 HD2 TYR 150 124.687 6.418 7.813 537 HE1 TYR 150 HE1 TYR 150 123.779 4.597 3.335 538 HE2 TYR 150 HE2 TYR 150 122.782 7.265 6.511 539 HH TYR 150 HH TYR 150 122.395 6.687 3.228 540 H ASP 151 H ASP 151 128.563 6.245 8.165 541 HA ASP 151 HA ASP 151 128.103 8.700 6.978 542 1HB ASP 151 2HB ASP 151 130.095 7.837 9.068 543 2HB ASP 151 1HB ASP 151 129.948 9.518 8.562 544 H GLU 152 H GLU 152 130.971 6.644 6.784 545 HA GLU 152 HA GLU 152 132.448 8.564 5.225 546 1HB GLU 152 2HB GLU 152 133.047 5.639 5.687 547 2HB GLU 152 1HB GLU 152 134.167 6.856 5.093 548 1HG GLU 152 2HG GLU 152 133.203 7.856 7.514 549 2HG GLU 152 1HG GLU 152 133.500 6.142 7.794 550 H PHE 153 H PHE 153 130.440 5.766 4.615 551 HA PHE 153 HA PHE 153 131.192 5.428 1.887 552 1HB PHE 153 2HB PHE 153 129.877 3.859 3.624 553 2HB PHE 153 1HB PHE 153 128.498 4.553 2.779 554 HD1 PHE 153 HD1 PHE 153 127.666 3.273 1.081 555 HD2 PHE 153 HD2 PHE 153 131.849 3.183 1.857 556 HE1 PHE 153 HE1 PHE 153 127.966 1.651 -0.745 557 HE2 PHE 153 HE2 PHE 153 132.157 1.562 0.032 558 HZ PHE 153 HZ PHE 153 130.214 0.794 -1.272 559 H LEU 154 H LEU 154 128.807 7.357 3.564 560 HA LEU 154 HA LEU 154 127.101 7.988 1.451 561 1HB LEU 154 2HB LEU 154 127.913 9.491 3.923 562 2HB LEU 154 1HB LEU 154 126.786 10.179 2.770 563 HG LEU 154 HG LEU 154 126.408 7.667 4.396 564 1HD1 LEU 154 1HD1 LEU 154 126.060 10.065 5.337 565 2HD1 LEU 154 2HD1 LEU 154 124.837 8.826 5.619 566 3HD1 LEU 154 3HD1 LEU 154 124.593 10.036 4.359 567 1HD2 LEU 154 1HD2 LEU 154 125.432 7.149 2.324 568 2HD2 LEU 154 2HD2 LEU 154 124.815 8.787 2.110 569 3HD2 LEU 154 3HD2 LEU 154 124.101 7.728 3.325 570 H GLU 155 H GLU 155 130.232 9.305 2.338 571 HA GLU 155 HA GLU 155 130.092 11.413 0.363 572 1HB GLU 155 2HB GLU 155 132.263 10.477 2.235 573 2HB GLU 155 1HB GLU 155 132.517 11.753 1.052 574 1HG GLU 155 2HG GLU 155 130.361 12.756 2.195 575 2HG GLU 155 1HG GLU 155 130.911 11.765 3.545 576 H PHE 156 H PHE 156 131.838 8.359 0.796 577 HA PHE 156 HA PHE 156 133.413 8.480 -1.511 578 1HB PHE 156 2HB PHE 156 133.802 6.843 0.264 579 2HB PHE 156 1HB PHE 156 132.275 6.051 -0.110 580 HD1 PHE 156 HD1 PHE 156 135.215 7.208 -2.105 581 HD2 PHE 156 HD2 PHE 156 132.555 4.031 -1.136 582 HE1 PHE 156 HE1 PHE 156 136.366 5.755 -3.724 583 HE2 PHE 156 HE2 PHE 156 133.701 2.572 -2.752 584 HZ PHE 156 HZ PHE 156 135.608 3.433 -4.048 585 H MET 157 H MET 157 130.133 7.258 -1.014 586 HA MET 157 HA MET 157 129.855 6.350 -3.724 587 1HB MET 157 2HB MET 157 127.946 6.664 -1.417 588 2HB MET 157 1HB MET 157 127.381 6.219 -3.022 589 1HG MET 157 2HG MET 157 129.599 4.565 -2.268 590 2HG MET 157 1HG MET 157 128.361 4.536 -1.013 591 1HE MET 157 1HE MET 157 128.042 3.190 -5.349 592 2HE MET 157 2HE MET 157 129.086 4.440 -4.676 593 3HE MET 157 3HE MET 157 127.410 4.815 -5.080 594 H LYS 158 H LYS 158 129.083 9.249 -1.921 595 HA LYS 158 HA LYS 158 127.573 10.395 -4.117 596 1HB LYS 158 2HB LYS 158 127.014 10.775 -1.682 597 2HB LYS 158 1HB LYS 158 128.467 11.760 -1.577 598 1HG LYS 158 2HG LYS 158 127.275 12.907 -3.699 599 2HG LYS 158 1HG LYS 158 125.861 12.356 -2.799 600 1HD LYS 158 2HD LYS 158 126.667 13.520 -0.809 601 2HD LYS 158 1HD LYS 158 128.098 14.054 -1.695 602 1HE LYS 158 2HE LYS 158 126.228 14.968 -3.357 603 2HE LYS 158 1HE LYS 158 125.290 14.993 -1.863 604 1HZ LYS 158 1HZ LYS 158 127.981 16.196 -1.971 605 2HZ LYS 158 2HZ LYS 158 126.714 16.525 -0.901 606 3HZ LYS 158 3HZ LYS 158 126.628 17.064 -2.501 607 H GLY 159 H GLY 159 129.540 10.094 -5.530 608 1HA GLY 159 2HA GLY 159 130.777 11.630 -6.897 609 2HA GLY 159 1HA GLY 159 131.111 12.582 -5.458 610 H VAL 160 H VAL 160 131.683 9.325 -6.775 611 HA VAL 160 HA VAL 160 133.853 8.669 -5.141 612 HB VAL 160 HB VAL 160 133.559 7.745 -7.995 613 1HG1 VAL 160 1HG1 VAL 160 135.063 6.864 -5.611 614 2HG1 VAL 160 2HG1 VAL 160 135.462 6.725 -7.324 615 3HG1 VAL 160 3HG1 VAL 160 134.328 5.592 -6.587 616 1HG2 VAL 160 1HG2 VAL 160 132.310 5.815 -6.598 617 2HG2 VAL 160 2HG2 VAL 160 131.467 7.157 -7.372 618 3HG2 VAL 160 3HG2 VAL 160 131.843 7.228 -5.650 619 H GLU 161 H GLU 161 133.670 10.600 -8.045 620 HA GLU 161 HA GLU 161 136.424 10.614 -8.683 621 1HB GLU 161 2HB GLU 161 134.037 12.194 -9.446 622 2HB GLU 161 1HB GLU 161 135.591 12.986 -9.668 623 1HG GLU 161 2HG GLU 161 136.056 10.528 -10.748 624 2HG GLU 161 1HG GLU 161 134.363 10.797 -11.158 Start of MODEL 16 1 1H MET 81 1HT MET 81 88.065 12.562 -1.534 2 2H MET 81 2HT MET 81 86.814 13.373 -0.683 3 3H MET 81 3HT MET 81 88.254 12.918 0.133 4 HA MET 81 HA MET 81 88.267 14.740 -2.162 5 1HB MET 81 2HB MET 81 87.559 15.220 0.701 6 2HB MET 81 1HB MET 81 88.486 16.447 -0.151 7 1HG MET 81 2HG MET 81 86.676 16.361 -1.927 8 2HG MET 81 1HG MET 81 85.729 15.437 -0.761 9 1HE MET 81 1HE MET 81 83.985 17.804 -1.401 10 2HE MET 81 2HE MET 81 85.396 18.321 -2.324 11 3HE MET 81 3HE MET 81 84.671 19.409 -1.138 12 H VAL 82 H VAL 82 90.053 12.591 -1.365 13 HA VAL 82 HA VAL 82 92.277 12.195 -1.093 14 HB VAL 82 HB VAL 82 92.660 15.158 -1.528 15 1HG1 VAL 82 1HG1 VAL 82 94.571 13.177 -2.578 16 2HG1 VAL 82 2HG1 VAL 82 94.511 13.328 -0.822 17 3HG1 VAL 82 3HG1 VAL 82 94.857 14.743 -1.817 18 1HG2 VAL 82 1HG2 VAL 82 91.253 14.250 -3.300 19 2HG2 VAL 82 2HG2 VAL 82 92.422 12.961 -3.583 20 3HG2 VAL 82 3HG2 VAL 82 92.860 14.638 -3.913 21 H ARG 83 H ARG 83 92.383 11.603 1.033 22 HA ARG 83 HA ARG 83 92.243 13.407 3.211 23 1HB ARG 83 2HB ARG 83 93.458 10.640 3.099 24 2HB ARG 83 1HB ARG 83 93.044 11.519 4.566 25 1HG ARG 83 2HG ARG 83 90.800 11.302 2.737 26 2HG ARG 83 1HG ARG 83 91.439 9.729 3.219 27 1HD ARG 83 2HD ARG 83 89.892 10.155 4.883 28 2HD ARG 83 1HD ARG 83 91.390 10.730 5.613 29 HE ARG 83 HE ARG 83 90.396 12.949 4.436 30 1HH1 ARG 83 1HH1 ARG 83 89.027 10.603 6.629 31 2HH1 ARG 83 2HH1 ARG 83 87.951 11.739 7.368 32 1HH2 ARG 83 1HH2 ARG 83 88.981 14.444 5.409 33 2HH2 ARG 83 2HH2 ARG 83 87.924 13.919 6.677 34 H CYS 84 H CYS 84 95.064 11.459 2.234 35 HA CYS 84 HA CYS 84 96.811 13.724 2.207 36 1HB CYS 84 2HB CYS 84 96.568 13.397 4.641 37 2HB CYS 84 1HB CYS 84 97.108 11.733 4.466 38 HG CYS 84 HG CYS 84 98.905 14.220 4.401 39 H MET 85 H MET 85 97.875 13.196 0.411 40 HA MET 85 HA MET 85 99.394 10.708 0.379 41 1HB MET 85 2HB MET 85 97.008 10.818 -0.976 42 2HB MET 85 1HB MET 85 98.160 11.276 -2.223 43 1HG MET 85 2HG MET 85 98.121 9.013 -2.491 44 2HG MET 85 1HG MET 85 99.466 9.181 -1.365 45 1HE MET 85 1HE MET 85 99.213 6.665 0.413 46 2HE MET 85 2HE MET 85 98.640 7.689 1.730 47 3HE MET 85 3HE MET 85 99.771 8.333 0.540 48 H LYS 86 H LYS 86 101.396 11.017 -0.374 49 HA LYS 86 HA LYS 86 101.949 13.093 -2.322 50 1HB LYS 86 2HB LYS 86 103.833 13.974 -0.834 51 2HB LYS 86 1HB LYS 86 102.195 14.461 -0.427 52 1HG LYS 86 2HG LYS 86 102.127 12.717 1.305 53 2HG LYS 86 1HG LYS 86 103.798 12.296 0.919 54 1HD LYS 86 2HD LYS 86 104.640 14.169 1.904 55 2HD LYS 86 1HD LYS 86 103.218 15.141 1.520 56 1HE LYS 86 2HE LYS 86 102.772 12.935 3.418 57 2HE LYS 86 1HE LYS 86 103.820 14.230 3.995 58 1HZ LYS 86 1HZ LYS 86 102.041 15.809 3.342 59 2HZ LYS 86 2HZ LYS 86 101.588 14.753 4.582 60 3HZ LYS 86 3HZ LYS 86 101.035 14.491 3.005 61 H ASP 87 H ASP 87 104.355 13.095 -2.876 62 HA ASP 87 HA ASP 87 105.123 10.386 -3.418 63 1HB ASP 87 2HB ASP 87 105.685 12.950 -4.508 64 2HB ASP 87 1HB ASP 87 107.224 12.225 -4.053 65 H ASP 88 H ASP 88 105.568 9.455 -1.411 66 HA ASP 88 HA ASP 88 107.512 10.624 0.362 67 1HB ASP 88 2HB ASP 88 105.468 8.997 0.854 68 2HB ASP 88 1HB ASP 88 106.700 7.764 0.605 69 H SER 89 H SER 89 107.402 7.778 -1.767 70 HA SER 89 HA SER 89 110.207 7.226 -1.325 71 1HB SER 89 2HB SER 89 108.311 5.934 -3.300 72 2HB SER 89 1HB SER 89 109.871 5.308 -2.768 73 HG SER 89 HG SER 89 107.689 5.789 -1.022 74 H LYS 90 H LYS 90 111.388 8.906 -2.159 75 HA LYS 90 HA LYS 90 110.889 10.004 -4.755 76 1HB LYS 90 2HB LYS 90 113.397 10.274 -3.099 77 2HB LYS 90 1HB LYS 90 112.848 11.345 -4.381 78 1HG LYS 90 2HG LYS 90 111.486 12.478 -3.017 79 2HG LYS 90 1HG LYS 90 110.932 11.018 -2.195 80 1HD LYS 90 2HD LYS 90 112.952 10.973 -0.852 81 2HD LYS 90 1HD LYS 90 113.585 12.374 -1.721 82 1HE LYS 90 2HE LYS 90 112.725 13.457 0.079 83 2HE LYS 90 1HE LYS 90 111.271 13.415 -0.919 84 1HZ LYS 90 1HZ LYS 90 111.917 11.355 1.114 85 2HZ LYS 90 2HZ LYS 90 110.456 11.559 0.287 86 3HZ LYS 90 3HZ LYS 90 110.949 12.706 1.430 87 H GLY 91 H GLY 91 113.279 10.245 -5.990 88 1HA GLY 91 2HA GLY 91 113.559 7.724 -7.275 89 2HA GLY 91 1HA GLY 91 114.541 9.148 -7.570 90 H LYS 92 H LYS 92 116.609 9.063 -6.983 91 HA LYS 92 HA LYS 92 117.489 6.790 -5.368 92 1HB LYS 92 2HB LYS 92 118.916 8.678 -7.229 93 2HB LYS 92 1HB LYS 92 119.794 7.601 -6.151 94 1HG LYS 92 2HG LYS 92 118.991 5.681 -7.235 95 2HG LYS 92 1HG LYS 92 117.728 6.585 -8.075 96 1HD LYS 92 2HD LYS 92 119.164 6.569 -9.803 97 2HD LYS 92 1HD LYS 92 119.975 7.869 -8.927 98 1HE LYS 92 2HE LYS 92 121.700 6.385 -9.406 99 2HE LYS 92 1HE LYS 92 121.263 5.978 -7.747 100 1HZ LYS 92 1HZ LYS 92 121.477 3.958 -8.918 101 2HZ LYS 92 2HZ LYS 92 120.548 4.508 -10.218 102 3HZ LYS 92 3HZ LYS 92 119.815 4.203 -8.725 103 H THR 93 H THR 93 117.039 7.448 -3.283 104 HA THR 93 HA THR 93 118.260 9.944 -2.351 105 HB THR 93 HB THR 93 116.907 9.588 -0.304 106 HG1 THR 93 HG1 THR 93 115.949 7.761 0.031 107 1HG2 THR 93 1HG2 THR 93 114.637 9.772 -1.340 108 2HG2 THR 93 2HG2 THR 93 115.408 9.517 -2.905 109 3HG2 THR 93 3HG2 THR 93 115.832 10.925 -1.931 110 H GLU 94 H GLU 94 118.839 9.577 0.191 111 HA GLU 94 HA GLU 94 121.276 8.209 0.192 112 1HB GLU 94 2HB GLU 94 119.533 9.347 2.347 113 2HB GLU 94 1HB GLU 94 120.950 8.401 2.781 114 1HG GLU 94 2HG GLU 94 122.206 10.197 2.537 115 2HG GLU 94 1HG GLU 94 121.775 10.254 0.829 116 H GLU 95 H GLU 95 118.051 7.147 0.983 117 HA GLU 95 HA GLU 95 118.638 4.860 2.474 118 1HB GLU 95 2HB GLU 95 116.343 5.769 0.812 119 2HB GLU 95 1HB GLU 95 116.407 4.065 1.239 120 1HG GLU 95 2HG GLU 95 116.387 4.574 3.569 121 2HG GLU 95 1HG GLU 95 116.573 6.297 3.246 122 H GLU 96 H GLU 96 118.886 5.479 -0.937 123 HA GLU 96 HA GLU 96 118.904 2.803 -1.845 124 1HB GLU 96 2HB GLU 96 120.315 5.157 -3.104 125 2HB GLU 96 1HB GLU 96 119.806 3.677 -3.904 126 1HG GLU 96 2HG GLU 96 117.589 4.995 -2.601 127 2HG GLU 96 1HG GLU 96 118.403 6.061 -3.746 128 H LEU 97 H LEU 97 121.560 5.050 -1.089 129 HA LEU 97 HA LEU 97 123.671 3.302 -1.629 130 1HB LEU 97 2HB LEU 97 123.317 5.807 -0.105 131 2HB LEU 97 1HB LEU 97 124.709 4.838 0.341 132 HG LEU 97 HG LEU 97 124.292 5.396 -2.551 133 1HD1 LEU 97 1HD1 LEU 97 125.045 7.437 -0.492 134 2HD1 LEU 97 2HD1 LEU 97 123.940 7.587 -1.858 135 3HD1 LEU 97 3HD1 LEU 97 125.681 7.524 -2.135 136 1HD2 LEU 97 1HD2 LEU 97 126.640 5.071 -0.700 137 2HD2 LEU 97 2HD2 LEU 97 126.805 5.613 -2.370 138 3HD2 LEU 97 3HD2 LEU 97 126.136 4.018 -2.022 139 H SER 98 H SER 98 121.801 3.810 1.323 140 HA SER 98 HA SER 98 123.343 2.261 3.065 141 1HB SER 98 2HB SER 98 120.884 1.895 4.098 142 2HB SER 98 1HB SER 98 121.776 3.407 4.266 143 HG SER 98 HG SER 98 119.436 3.191 3.272 144 H ASP 99 H ASP 99 120.881 1.354 0.730 145 HA ASP 99 HA ASP 99 120.591 -1.336 1.604 146 1HB ASP 99 2HB ASP 99 119.813 0.203 -0.838 147 2HB ASP 99 1HB ASP 99 119.751 -1.556 -0.890 148 H LEU 100 H LEU 100 122.673 0.272 -0.734 149 HA LEU 100 HA LEU 100 123.780 -2.178 -1.748 150 1HB LEU 100 2HB LEU 100 124.426 0.730 -2.104 151 2HB LEU 100 1HB LEU 100 125.506 -0.507 -2.717 152 HG LEU 100 HG LEU 100 122.690 -0.846 -3.504 153 1HD1 LEU 100 1HD1 LEU 100 124.154 1.666 -4.019 154 2HD1 LEU 100 2HD1 LEU 100 122.421 1.353 -3.951 155 3HD1 LEU 100 3HD1 LEU 100 123.338 0.929 -5.397 156 1HD2 LEU 100 1HD2 LEU 100 125.039 -1.924 -4.266 157 2HD2 LEU 100 2HD2 LEU 100 124.871 -0.648 -5.473 158 3HD2 LEU 100 3HD2 LEU 100 123.606 -1.865 -5.293 159 H PHE 101 H PHE 101 124.580 0.138 0.740 160 HA PHE 101 HA PHE 101 127.265 -0.641 1.155 161 1HB PHE 101 2HB PHE 101 126.341 1.474 2.007 162 2HB PHE 101 1HB PHE 101 125.304 0.578 3.110 163 HD1 PHE 101 HD1 PHE 101 126.147 -0.326 5.144 164 HD2 PHE 101 HD2 PHE 101 128.774 1.520 2.350 165 HE1 PHE 101 HE1 PHE 101 127.926 -0.293 6.845 166 HE2 PHE 101 HE2 PHE 101 130.557 1.557 4.046 167 HZ PHE 101 HZ PHE 101 130.134 0.649 6.296 168 H ARG 102 H ARG 102 124.214 -1.697 2.609 169 HA ARG 102 HA ARG 102 125.282 -3.393 4.562 170 1HB ARG 102 2HB ARG 102 122.671 -3.631 3.058 171 2HB ARG 102 1HB ARG 102 123.071 -4.503 4.531 172 1HG ARG 102 2HG ARG 102 123.476 -1.678 4.893 173 2HG ARG 102 1HG ARG 102 121.842 -2.007 4.311 174 1HD ARG 102 2HD ARG 102 121.425 -3.506 6.128 175 2HD ARG 102 1HD ARG 102 123.111 -3.440 6.638 176 HE ARG 102 HE ARG 102 122.327 -0.862 6.807 177 1HH1 ARG 102 1HH1 ARG 102 120.987 -3.837 8.046 178 2HH1 ARG 102 2HH1 ARG 102 120.283 -3.086 9.439 179 1HH2 ARG 102 1HH2 ARG 102 121.404 0.126 8.638 180 2HH2 ARG 102 2HH2 ARG 102 120.520 -0.836 9.775 181 H MET 103 H MET 103 124.627 -3.907 1.150 182 HA MET 103 HA MET 103 124.952 -6.711 1.128 183 1HB MET 103 2HB MET 103 124.912 -4.544 -0.899 184 2HB MET 103 1HB MET 103 125.681 -6.051 -1.375 185 1HG MET 103 2HG MET 103 123.053 -6.307 -0.076 186 2HG MET 103 1HG MET 103 123.063 -5.542 -1.664 187 1HE MET 103 1HE MET 103 122.579 -7.785 -3.875 188 2HE MET 103 2HE MET 103 121.687 -6.909 -2.632 189 3HE MET 103 3HE MET 103 121.664 -8.673 -2.658 190 H PHE 104 H PHE 104 127.220 -4.037 0.813 191 HA PHE 104 HA PHE 104 129.464 -5.517 -0.011 192 1HB PHE 104 2HB PHE 104 128.975 -2.839 1.147 193 2HB PHE 104 1HB PHE 104 130.594 -3.486 1.381 194 HD1 PHE 104 HD1 PHE 104 132.177 -3.218 -0.278 195 HD2 PHE 104 HD2 PHE 104 128.051 -2.922 -1.277 196 HE1 PHE 104 HE1 PHE 104 132.783 -2.524 -2.558 197 HE2 PHE 104 HE2 PHE 104 128.649 -2.229 -3.561 198 HZ PHE 104 HZ PHE 104 131.018 -2.029 -4.205 199 H ASP 105 H ASP 105 128.062 -4.933 3.146 200 HA ASP 105 HA ASP 105 130.274 -5.879 4.664 201 1HB ASP 105 2HB ASP 105 127.984 -4.552 5.285 202 2HB ASP 105 1HB ASP 105 127.582 -6.174 5.840 203 H LYS 106 H LYS 106 130.793 -7.886 5.352 204 HA LYS 106 HA LYS 106 129.534 -10.117 4.037 205 1HB LYS 106 2HB LYS 106 132.023 -9.874 4.423 206 2HB LYS 106 1HB LYS 106 131.715 -10.210 6.122 207 1HG LYS 106 2HG LYS 106 132.393 -12.246 5.149 208 2HG LYS 106 1HG LYS 106 130.648 -12.368 5.385 209 1HD LYS 106 2HD LYS 106 130.842 -11.295 2.864 210 2HD LYS 106 1HD LYS 106 132.218 -12.400 2.921 211 1HE LYS 106 2HE LYS 106 130.752 -13.997 2.382 212 2HE LYS 106 1HE LYS 106 130.200 -13.880 4.052 213 1HZ LYS 106 1HZ LYS 106 129.055 -11.989 2.151 214 2HZ LYS 106 2HZ LYS 106 128.328 -12.788 3.454 215 3HZ LYS 106 3HZ LYS 106 128.577 -13.605 1.994 216 H ASN 107 H ASN 107 130.328 -9.524 7.468 217 HA ASN 107 HA ASN 107 128.120 -11.281 8.231 218 1HB ASN 107 2HB ASN 107 129.110 -11.168 10.499 219 2HB ASN 107 1HB ASN 107 130.259 -11.734 9.290 220 1HD2 ASN 107 1HD2 ASN 107 131.403 -10.941 11.470 221 2HD2 ASN 107 2HD2 ASN 107 132.103 -9.368 11.330 222 H ALA 108 H ALA 108 128.052 -8.301 7.320 223 HA ALA 108 HA ALA 108 126.880 -6.411 7.809 224 1HB ALA 108 1HB ALA 108 125.187 -8.345 9.388 225 2HB ALA 108 2HB ALA 108 125.038 -8.017 7.662 226 3HB ALA 108 3HB ALA 108 124.697 -6.743 8.833 227 H ASP 109 H ASP 109 129.017 -6.156 9.194 228 HA ASP 109 HA ASP 109 128.338 -5.839 12.028 229 1HB ASP 109 2HB ASP 109 130.586 -6.869 10.849 230 2HB ASP 109 1HB ASP 109 131.088 -5.216 11.196 231 H GLY 110 H GLY 110 127.644 -4.032 9.617 232 1HA GLY 110 2HA GLY 110 127.309 -1.781 9.330 233 2HA GLY 110 1HA GLY 110 127.760 -1.584 11.016 234 H TYR 111 H TYR 111 130.091 -3.141 9.044 235 HA TYR 111 HA TYR 111 131.433 -0.726 8.223 236 1HB TYR 111 2HB TYR 111 132.699 -2.483 10.336 237 2HB TYR 111 1HB TYR 111 133.470 -1.118 9.534 238 HD1 TYR 111 HD1 TYR 111 131.514 -2.159 12.315 239 HD2 TYR 111 HD2 TYR 111 132.348 1.188 9.827 240 HE1 TYR 111 HE1 TYR 111 130.639 -0.657 14.054 241 HE2 TYR 111 HE2 TYR 111 131.476 2.701 11.560 242 HH TYR 111 HH TYR 111 129.557 1.977 13.837 243 H ILE 112 H ILE 112 133.436 -1.182 7.031 244 HA ILE 112 HA ILE 112 133.595 -3.950 6.048 245 HB ILE 112 HB ILE 112 133.783 -1.521 4.266 246 1HG1 ILE 112 2HG1 ILE 112 131.537 -3.499 4.138 247 2HG1 ILE 112 1HG1 ILE 112 131.470 -2.197 5.320 248 1HG2 ILE 112 1HG2 ILE 112 134.222 -4.412 3.907 249 2HG2 ILE 112 2HG2 ILE 112 134.917 -3.038 3.044 250 3HG2 ILE 112 3HG2 ILE 112 133.300 -3.609 2.634 251 1HD1 ILE 112 1HD1 ILE 112 131.856 -0.615 3.381 252 2HD1 ILE 112 2HD1 ILE 112 130.292 -1.424 3.452 253 3HD1 ILE 112 3HD1 ILE 112 131.528 -1.993 2.332 254 H ASP 113 H ASP 113 135.622 -4.722 5.697 255 HA ASP 113 HA ASP 113 137.865 -2.832 5.875 256 1HB ASP 113 2HB ASP 113 139.066 -4.593 7.254 257 2HB ASP 113 1HB ASP 113 137.764 -3.735 8.071 258 H LEU 114 H LEU 114 139.996 -4.214 5.455 259 HA LEU 114 HA LEU 114 139.901 -5.000 2.766 260 1HB LEU 114 2HB LEU 114 141.880 -4.257 4.378 261 2HB LEU 114 1HB LEU 114 142.096 -5.992 4.514 262 HG LEU 114 HG LEU 114 141.925 -5.677 1.802 263 1HD1 LEU 114 1HD1 LEU 114 143.821 -3.740 1.726 264 2HD1 LEU 114 2HD1 LEU 114 142.748 -3.119 2.980 265 3HD1 LEU 114 3HD1 LEU 114 142.112 -3.481 1.377 266 1HD2 LEU 114 1HD2 LEU 114 143.674 -6.736 3.523 267 2HD2 LEU 114 2HD2 LEU 114 144.609 -5.337 2.998 268 3HD2 LEU 114 3HD2 LEU 114 144.033 -6.508 1.812 269 H GLU 115 H GLU 115 139.554 -6.812 5.723 270 HA GLU 115 HA GLU 115 139.869 -9.379 4.447 271 1HB GLU 115 2HB GLU 115 140.351 -8.721 6.922 272 2HB GLU 115 1HB GLU 115 138.628 -8.989 7.148 273 1HG GLU 115 2HG GLU 115 138.956 -11.276 6.176 274 2HG GLU 115 1HG GLU 115 140.692 -10.978 6.246 275 H GLU 116 H GLU 116 137.143 -7.837 6.164 276 HA GLU 116 HA GLU 116 135.180 -9.642 5.405 277 1HB GLU 116 2HB GLU 116 135.285 -7.023 6.618 278 2HB GLU 116 1HB GLU 116 133.910 -7.140 5.528 279 1HG GLU 116 2HG GLU 116 132.858 -8.709 6.791 280 2HG GLU 116 1HG GLU 116 134.364 -9.379 7.415 281 H LEU 117 H LEU 117 136.622 -7.043 3.597 282 HA LEU 117 HA LEU 117 134.583 -6.987 1.568 283 1HB LEU 117 2HB LEU 117 135.906 -4.995 2.089 284 2HB LEU 117 1HB LEU 117 137.369 -5.824 1.597 285 HG LEU 117 HG LEU 117 136.631 -5.889 -0.701 286 1HD1 LEU 117 1HD1 LEU 117 134.428 -4.356 -1.004 287 2HD1 LEU 117 2HD1 LEU 117 134.044 -5.183 0.505 288 3HD1 LEU 117 3HD1 LEU 117 134.408 -6.119 -0.945 289 1HD2 LEU 117 1HD2 LEU 117 136.151 -3.133 0.422 290 2HD2 LEU 117 2HD2 LEU 117 136.674 -3.539 -1.212 291 3HD2 LEU 117 3HD2 LEU 117 137.742 -3.845 0.157 292 H LYS 118 H LYS 118 137.605 -8.647 2.094 293 HA LYS 118 HA LYS 118 137.921 -9.530 -0.611 294 1HB LYS 118 2HB LYS 118 139.641 -9.351 1.417 295 2HB LYS 118 1HB LYS 118 139.167 -11.029 1.638 296 1HG LYS 118 2HG LYS 118 139.780 -10.414 -1.131 297 2HG LYS 118 1HG LYS 118 141.136 -10.089 -0.046 298 1HD LYS 118 2HD LYS 118 140.736 -12.401 0.916 299 2HD LYS 118 1HD LYS 118 139.656 -12.679 -0.452 300 1HE LYS 118 2HE LYS 118 141.374 -12.640 -1.988 301 2HE LYS 118 1HE LYS 118 142.421 -11.674 -0.948 302 1HZ LYS 118 1HZ LYS 118 141.703 -14.511 -0.442 303 2HZ LYS 118 2HZ LYS 118 142.805 -13.577 0.438 304 3HZ LYS 118 3HZ LYS 118 143.146 -14.000 -1.163 305 H ILE 119 H ILE 119 136.298 -10.728 2.233 306 HA ILE 119 HA ILE 119 135.968 -13.410 1.358 307 HB ILE 119 HB ILE 119 134.204 -11.893 3.283 308 1HG1 ILE 119 2HG1 ILE 119 136.479 -13.655 4.124 309 2HG1 ILE 119 1HG1 ILE 119 136.794 -11.980 3.686 310 1HG2 ILE 119 1HG2 ILE 119 133.446 -14.132 2.356 311 2HG2 ILE 119 2HG2 ILE 119 133.523 -13.989 4.112 312 3HG2 ILE 119 3HG2 ILE 119 134.799 -14.838 3.241 313 1HD1 ILE 119 1HD1 ILE 119 134.639 -11.845 5.422 314 2HD1 ILE 119 2HD1 ILE 119 136.322 -11.460 5.784 315 3HD1 ILE 119 3HD1 ILE 119 135.695 -13.076 6.112 316 H MET 120 H MET 120 134.141 -10.451 0.892 317 HA MET 120 HA MET 120 131.858 -11.779 -0.244 318 1HB MET 120 2HB MET 120 131.023 -9.546 -0.705 319 2HB MET 120 1HB MET 120 131.648 -9.626 0.937 320 1HG MET 120 2HG MET 120 133.280 -8.140 0.532 321 2HG MET 120 1HG MET 120 133.576 -8.745 -1.096 322 1HE MET 120 1HE MET 120 130.960 -7.735 -3.149 323 2HE MET 120 2HE MET 120 132.640 -8.249 -2.993 324 3HE MET 120 3HE MET 120 132.264 -6.570 -3.378 325 H LEU 121 H LEU 121 134.847 -10.452 -1.417 326 HA LEU 121 HA LEU 121 134.097 -10.140 -4.132 327 1HB LEU 121 2HB LEU 121 136.547 -10.017 -2.550 328 2HB LEU 121 1HB LEU 121 136.813 -10.668 -4.155 329 HG LEU 121 HG LEU 121 137.167 -8.211 -3.990 330 1HD1 LEU 121 1HD1 LEU 121 136.492 -7.909 -6.119 331 2HD1 LEU 121 2HD1 LEU 121 134.846 -8.447 -5.791 332 3HD1 LEU 121 3HD1 LEU 121 136.131 -9.633 -6.021 333 1HD2 LEU 121 1HD2 LEU 121 134.276 -7.672 -3.991 334 2HD2 LEU 121 2HD2 LEU 121 135.603 -6.764 -3.268 335 3HD2 LEU 121 3HD2 LEU 121 134.949 -8.178 -2.442 336 H GLN 122 H GLN 122 135.188 -12.855 -2.227 337 HA GLN 122 HA GLN 122 136.006 -14.584 -4.262 338 1HB GLN 122 2HB GLN 122 134.691 -15.211 -1.612 339 2HB GLN 122 1HB GLN 122 135.460 -16.406 -2.650 340 1HG GLN 122 2HG GLN 122 137.397 -14.466 -2.353 341 2HG GLN 122 1HG GLN 122 136.634 -14.542 -0.765 342 1HE2 GLN 122 1HE2 GLN 122 139.306 -15.343 -1.531 343 2HE2 GLN 122 2HE2 GLN 122 139.445 -17.022 -1.148 344 H ALA 123 H ALA 123 132.822 -13.656 -3.195 345 HA ALA 123 HA ALA 123 131.298 -15.750 -4.230 346 1HB ALA 123 1HB ALA 123 129.477 -13.996 -4.406 347 2HB ALA 123 2HB ALA 123 130.676 -12.835 -3.838 348 3HB ALA 123 3HB ALA 123 130.219 -14.199 -2.818 349 H THR 124 H THR 124 132.815 -13.035 -5.820 350 HA THR 124 HA THR 124 131.386 -13.233 -8.270 351 HB THR 124 HB THR 124 133.073 -11.741 -9.168 352 HG1 THR 124 HG1 THR 124 134.966 -11.350 -8.130 353 1HG2 THR 124 1HG2 THR 124 133.150 -10.521 -6.556 354 2HG2 THR 124 2HG2 THR 124 131.538 -11.115 -6.959 355 3HG2 THR 124 3HG2 THR 124 132.357 -9.982 -8.035 356 H GLY 125 H GLY 125 132.361 -13.848 -10.352 357 1HA GLY 125 2HA GLY 125 133.568 -16.462 -10.137 358 2HA GLY 125 1HA GLY 125 133.051 -15.668 -11.617 359 H GLU 126 H GLU 126 134.546 -13.284 -11.345 360 HA GLU 126 HA GLU 126 137.007 -14.106 -12.453 361 1HB GLU 126 2HB GLU 126 137.603 -11.710 -12.379 362 2HB GLU 126 1HB GLU 126 136.006 -11.982 -13.062 363 1HG GLU 126 2HG GLU 126 135.000 -11.389 -10.905 364 2HG GLU 126 1HG GLU 126 136.609 -11.072 -10.260 365 H THR 127 H THR 127 139.164 -13.518 -11.645 366 HA THR 127 HA THR 127 139.357 -14.099 -8.779 367 HB THR 127 HB THR 127 141.880 -14.359 -9.537 368 HG1 THR 127 HG1 THR 127 141.976 -15.100 -11.686 369 1HG2 THR 127 1HG2 THR 127 141.109 -16.716 -10.527 370 2HG2 THR 127 2HG2 THR 127 139.622 -16.243 -9.705 371 3HG2 THR 127 3HG2 THR 127 141.134 -16.350 -8.802 372 H ILE 128 H ILE 128 139.687 -12.459 -7.444 373 HA ILE 128 HA ILE 128 141.084 -10.070 -8.455 374 HB ILE 128 HB ILE 128 139.284 -10.187 -6.039 375 1HG1 ILE 128 2HG1 ILE 128 138.007 -10.778 -8.060 376 2HG1 ILE 128 1HG1 ILE 128 137.532 -9.202 -7.434 377 1HG2 ILE 128 1HG2 ILE 128 139.609 -7.965 -5.818 378 2HG2 ILE 128 2HG2 ILE 128 139.713 -7.696 -7.556 379 3HG2 ILE 128 3HG2 ILE 128 141.108 -8.318 -6.675 380 1HD1 ILE 128 1HD1 ILE 128 139.591 -9.378 -9.582 381 2HD1 ILE 128 2HD1 ILE 128 138.470 -8.071 -9.201 382 3HD1 ILE 128 3HD1 ILE 128 137.881 -9.540 -9.980 383 H THR 129 H THR 129 142.816 -9.249 -7.364 384 HA THR 129 HA THR 129 143.947 -10.968 -5.279 385 HB THR 129 HB THR 129 146.054 -9.673 -5.750 386 HG1 THR 129 HG1 THR 129 145.112 -7.822 -6.654 387 1HG2 THR 129 1HG2 THR 129 145.962 -11.745 -6.834 388 2HG2 THR 129 2HG2 THR 129 146.386 -10.580 -8.087 389 3HG2 THR 129 3HG2 THR 129 144.735 -11.190 -7.972 390 H GLU 130 H GLU 130 145.230 -9.822 -3.554 391 HA GLU 130 HA GLU 130 143.549 -8.165 -2.045 392 1HB GLU 130 2HB GLU 130 146.542 -8.457 -1.744 393 2HB GLU 130 1HB GLU 130 145.405 -7.941 -0.506 394 1HG GLU 130 2HG GLU 130 144.353 -10.333 -1.141 395 2HG GLU 130 1HG GLU 130 146.056 -10.640 -1.478 396 H ASP 131 H ASP 131 146.002 -7.431 -4.403 397 HA ASP 131 HA ASP 131 146.589 -4.788 -3.747 398 1HB ASP 131 2HB ASP 131 146.801 -6.486 -6.142 399 2HB ASP 131 1HB ASP 131 146.688 -4.761 -6.481 400 H ASP 132 H ASP 132 144.030 -6.073 -5.852 401 HA ASP 132 HA ASP 132 142.942 -3.599 -6.608 402 1HB ASP 132 2HB ASP 132 142.354 -6.338 -7.034 403 2HB ASP 132 1HB ASP 132 140.876 -5.586 -6.442 404 H ILE 133 H ILE 133 142.270 -5.714 -3.862 405 HA ILE 133 HA ILE 133 140.090 -4.129 -2.890 406 HB ILE 133 HB ILE 133 141.703 -6.169 -1.359 407 1HG1 ILE 133 2HG1 ILE 133 139.087 -6.940 -2.478 408 2HG1 ILE 133 1HG1 ILE 133 140.353 -6.688 -3.674 409 1HG2 ILE 133 1HG2 ILE 133 139.506 -6.415 -0.135 410 2HG2 ILE 133 2HG2 ILE 133 138.991 -4.938 -0.948 411 3HG2 ILE 133 3HG2 ILE 133 140.381 -4.907 0.139 412 1HD1 ILE 133 1HD1 ILE 133 141.608 -8.447 -2.912 413 2HD1 ILE 133 2HD1 ILE 133 139.970 -9.037 -2.633 414 3HD1 ILE 133 3HD1 ILE 133 140.912 -8.384 -1.294 415 H GLU 134 H GLU 134 143.540 -4.160 -2.447 416 HA GLU 134 HA GLU 134 143.722 -2.779 -0.014 417 1HB GLU 134 2HB GLU 134 145.523 -3.311 -2.302 418 2HB GLU 134 1HB GLU 134 145.948 -1.938 -1.289 419 1HG GLU 134 2HG GLU 134 145.264 -4.330 0.229 420 2HG GLU 134 1HG GLU 134 146.649 -4.543 -0.841 421 H GLU 135 H GLU 135 143.871 -1.521 -3.345 422 HA GLU 135 HA GLU 135 143.945 1.201 -2.575 423 1HB GLU 135 2HB GLU 135 143.408 1.661 -4.948 424 2HB GLU 135 1HB GLU 135 144.732 0.517 -4.760 425 1HG GLU 135 2HG GLU 135 142.693 -1.204 -4.934 426 2HG GLU 135 1HG GLU 135 142.030 0.129 -5.876 427 H LEU 136 H LEU 136 141.351 -1.065 -3.096 428 HA LEU 136 HA LEU 136 139.224 0.709 -3.481 429 1HB LEU 136 2HB LEU 136 139.500 -2.009 -3.322 430 2HB LEU 136 1HB LEU 136 138.609 -1.657 -1.854 431 HG LEU 136 HG LEU 136 137.640 -0.506 -4.434 432 1HD1 LEU 136 1HD1 LEU 136 137.688 -2.611 -5.282 433 2HD1 LEU 136 2HD1 LEU 136 136.183 -2.728 -4.371 434 3HD1 LEU 136 3HD1 LEU 136 137.675 -3.373 -3.692 435 1HD2 LEU 136 1HD2 LEU 136 135.488 -0.708 -3.351 436 2HD2 LEU 136 2HD2 LEU 136 136.617 0.126 -2.283 437 3HD2 LEU 136 3HD2 LEU 136 136.220 -1.568 -1.995 438 H MET 137 H MET 137 140.721 -0.497 -0.518 439 HA MET 137 HA MET 137 138.842 0.909 1.170 440 1HB MET 137 2HB MET 137 141.427 -0.439 1.965 441 2HB MET 137 1HB MET 137 140.092 0.001 3.023 442 1HG MET 137 2HG MET 137 140.081 -2.106 0.877 443 2HG MET 137 1HG MET 137 140.052 -2.361 2.621 444 1HE MET 137 1HE MET 137 136.869 -0.754 3.722 445 2HE MET 137 2HE MET 137 138.484 -1.358 4.091 446 3HE MET 137 3HE MET 137 137.145 -2.488 3.886 447 H LYS 138 H LYS 138 142.064 1.391 -0.097 448 HA LYS 138 HA LYS 138 142.954 3.410 1.620 449 1HB LYS 138 2HB LYS 138 144.194 2.129 -0.276 450 2HB LYS 138 1HB LYS 138 143.602 3.421 -1.312 451 1HG LYS 138 2HG LYS 138 144.918 4.297 1.168 452 2HG LYS 138 1HG LYS 138 145.956 3.482 -0.004 453 1HD LYS 138 2HD LYS 138 144.839 5.083 -1.718 454 2HD LYS 138 1HD LYS 138 144.409 6.028 -0.290 455 1HE LYS 138 2HE LYS 138 146.620 6.487 0.231 456 2HE LYS 138 1HE LYS 138 147.226 5.110 -0.690 457 1HZ LYS 138 1HZ LYS 138 147.756 7.017 -1.929 458 2HZ LYS 138 2HZ LYS 138 146.217 7.692 -1.734 459 3HZ LYS 138 3HZ LYS 138 146.426 6.335 -2.720 460 H ASP 139 H ASP 139 141.194 3.652 -1.461 461 HA ASP 139 HA ASP 139 140.918 6.511 -1.195 462 1HB ASP 139 2HB ASP 139 139.855 6.460 -3.329 463 2HB ASP 139 1HB ASP 139 141.188 5.315 -3.400 464 H GLY 140 H GLY 140 139.166 3.749 -0.185 465 1HA GLY 140 2HA GLY 140 136.577 4.996 -0.112 466 2HA GLY 140 1HA GLY 140 137.019 3.463 0.625 467 H ASP 141 H ASP 141 139.288 4.748 2.062 468 HA ASP 141 HA ASP 141 137.711 5.756 4.301 469 1HB ASP 141 2HB ASP 141 139.606 3.921 4.366 470 2HB ASP 141 1HB ASP 141 140.666 5.325 4.460 471 H LYS 142 H LYS 142 137.970 7.754 5.216 472 HA LYS 142 HA LYS 142 139.671 9.650 3.732 473 1HB LYS 142 2HB LYS 142 137.088 10.224 5.194 474 2HB LYS 142 1HB LYS 142 138.056 11.395 4.309 475 1HG LYS 142 2HG LYS 142 136.744 8.983 3.074 476 2HG LYS 142 1HG LYS 142 136.064 10.611 3.073 477 1HD LYS 142 2HD LYS 142 138.495 11.150 2.080 478 2HD LYS 142 1HD LYS 142 138.318 9.487 1.517 479 1HE LYS 142 2HE LYS 142 136.178 10.075 0.477 480 2HE LYS 142 1HE LYS 142 136.370 11.738 1.032 481 1HZ LYS 142 1HZ LYS 142 137.913 12.183 -0.537 482 2HZ LYS 142 2HZ LYS 142 137.118 10.943 -1.367 483 3HZ LYS 142 3HZ LYS 142 138.554 10.616 -0.538 484 H ASN 143 H ASN 143 138.437 8.715 6.899 485 HA ASN 143 HA ASN 143 140.138 10.623 8.263 486 1HB ASN 143 2HB ASN 143 139.188 9.539 10.331 487 2HB ASN 143 1HB ASN 143 137.994 10.260 9.256 488 1HD2 ASN 143 1HD2 ASN 143 136.353 8.967 10.069 489 2HD2 ASN 143 2HD2 ASN 143 136.233 7.285 9.690 490 H ASN 144 H ASN 144 140.364 7.404 7.140 491 HA ASN 144 HA ASN 144 142.039 5.868 7.228 492 1HB ASN 144 2HB ASN 144 143.428 8.082 7.191 493 2HB ASN 144 1HB ASN 144 143.729 7.712 8.886 494 1HD2 ASN 144 1HD2 ASN 144 145.712 6.953 9.032 495 2HD2 ASN 144 2HD2 ASN 144 146.407 5.730 8.029 496 H ASP 145 H ASP 145 140.345 4.935 8.716 497 HA ASP 145 HA ASP 145 141.371 4.698 11.465 498 1HB ASP 145 2HB ASP 145 139.107 3.986 12.096 499 2HB ASP 145 1HB ASP 145 139.086 5.571 11.329 500 H GLY 146 H GLY 146 140.747 2.991 8.535 501 1HA GLY 146 2HA GLY 146 142.071 0.896 8.349 502 2HA GLY 146 1HA GLY 146 141.388 0.452 9.905 503 H ARG 147 H ARG 147 138.750 1.615 9.084 504 HA ARG 147 HA ARG 147 137.935 -0.348 7.058 505 1HB ARG 147 2HB ARG 147 136.385 0.111 9.608 506 2HB ARG 147 1HB ARG 147 136.073 -1.096 8.370 507 1HG ARG 147 2HG ARG 147 138.448 -1.953 8.974 508 2HG ARG 147 1HG ARG 147 138.195 -1.041 10.464 509 1HD ARG 147 2HD ARG 147 136.153 -2.291 10.899 510 2HD ARG 147 1HD ARG 147 136.355 -3.174 9.388 511 HE ARG 147 HE ARG 147 138.667 -3.629 10.774 512 1HH1 ARG 147 1HH1 ARG 147 135.270 -4.109 11.412 513 2HH1 ARG 147 2HH1 ARG 147 135.529 -5.479 12.439 514 1HH2 ARG 147 1HH2 ARG 147 139.010 -5.431 12.122 515 2HH2 ARG 147 2HH2 ARG 147 137.652 -6.230 12.843 516 H ILE 148 H ILE 148 135.442 0.059 6.615 517 HA ILE 148 HA ILE 148 135.103 2.971 6.304 518 HB ILE 148 HB ILE 148 134.040 0.847 4.440 519 1HG1 ILE 148 2HG1 ILE 148 136.351 2.729 3.937 520 2HG1 ILE 148 1HG1 ILE 148 136.565 1.071 4.486 521 1HG2 ILE 148 1HG2 ILE 148 133.904 3.825 4.528 522 2HG2 ILE 148 2HG2 ILE 148 132.653 2.650 4.121 523 3HG2 ILE 148 3HG2 ILE 148 133.933 3.010 2.964 524 1HD1 ILE 148 1HD1 ILE 148 136.879 1.146 2.123 525 2HD1 ILE 148 2HD1 ILE 148 135.341 1.981 1.896 526 3HD1 ILE 148 3HD1 ILE 148 135.363 0.308 2.455 527 H ASP 149 H ASP 149 132.949 3.790 6.358 528 HA ASP 149 HA ASP 149 130.944 1.996 7.534 529 1HB ASP 149 2HB ASP 149 130.325 3.710 9.174 530 2HB ASP 149 1HB ASP 149 132.008 3.229 9.375 531 H TYR 150 H TYR 150 128.852 3.620 7.859 532 HA TYR 150 HA TYR 150 127.903 4.014 5.233 533 1HB TYR 150 2HB TYR 150 126.489 3.490 7.238 534 2HB TYR 150 1HB TYR 150 126.725 5.150 7.774 535 HD1 TYR 150 HD1 TYR 150 124.871 6.467 7.432 536 HD2 TYR 150 HD2 TYR 150 125.830 3.508 4.530 537 HE1 TYR 150 HE1 TYR 150 122.945 7.178 6.079 538 HE2 TYR 150 HE2 TYR 150 123.907 4.210 3.168 539 HH TYR 150 HH TYR 150 122.474 6.122 2.854 540 H ASP 151 H ASP 151 128.569 6.410 7.796 541 HA ASP 151 HA ASP 151 128.123 8.702 6.303 542 1HB ASP 151 2HB ASP 151 129.682 8.057 8.746 543 2HB ASP 151 1HB ASP 151 130.051 9.584 7.952 544 H GLU 152 H GLU 152 130.902 6.590 6.365 545 HA GLU 152 HA GLU 152 132.604 8.405 4.913 546 1HB GLU 152 2HB GLU 152 132.826 5.635 5.973 547 2HB GLU 152 1HB GLU 152 133.895 6.084 4.651 548 1HG GLU 152 2HG GLU 152 133.682 7.853 7.041 549 2HG GLU 152 1HG GLU 152 134.648 6.381 7.123 550 H PHE 153 H PHE 153 130.962 5.335 4.164 551 HA PHE 153 HA PHE 153 131.692 5.166 1.480 552 1HB PHE 153 2HB PHE 153 130.335 3.546 3.123 553 2HB PHE 153 1HB PHE 153 128.973 4.233 2.244 554 HD1 PHE 153 HD1 PHE 153 129.166 4.193 -0.352 555 HD2 PHE 153 HD2 PHE 153 131.438 1.715 2.259 556 HE1 PHE 153 HE1 PHE 153 129.559 2.614 -2.196 557 HE2 PHE 153 HE2 PHE 153 131.836 0.133 0.418 558 HZ PHE 153 HZ PHE 153 130.896 0.582 -1.813 559 H LEU 154 H LEU 154 129.181 7.023 3.049 560 HA LEU 154 HA LEU 154 127.611 7.655 0.819 561 1HB LEU 154 2HB LEU 154 128.022 8.752 3.522 562 2HB LEU 154 1HB LEU 154 127.404 9.894 2.346 563 HG LEU 154 HG LEU 154 125.495 8.444 1.895 564 1HD1 LEU 154 1HD1 LEU 154 125.285 6.319 2.596 565 2HD1 LEU 154 2HD1 LEU 154 126.028 6.650 4.161 566 3HD1 LEU 154 3HD1 LEU 154 127.040 6.395 2.740 567 1HD2 LEU 154 1HD2 LEU 154 125.456 8.483 4.841 568 2HD2 LEU 154 2HD2 LEU 154 124.324 9.174 3.678 569 3HD2 LEU 154 3HD2 LEU 154 125.828 10.017 4.053 570 H GLU 155 H GLU 155 130.432 9.307 2.195 571 HA GLU 155 HA GLU 155 130.428 11.378 0.220 572 1HB GLU 155 2HB GLU 155 132.619 10.518 2.118 573 2HB GLU 155 1HB GLU 155 132.598 12.009 1.187 574 1HG GLU 155 2HG GLU 155 130.429 11.334 3.142 575 2HG GLU 155 1HG GLU 155 131.922 12.130 3.637 576 H PHE 156 H PHE 156 132.165 8.342 0.679 577 HA PHE 156 HA PHE 156 134.040 8.621 -1.379 578 1HB PHE 156 2HB PHE 156 134.129 6.851 0.346 579 2HB PHE 156 1HB PHE 156 132.732 6.076 -0.393 580 HD1 PHE 156 HD1 PHE 156 135.786 7.573 -1.913 581 HD2 PHE 156 HD2 PHE 156 133.450 4.073 -1.273 582 HE1 PHE 156 HE1 PHE 156 137.281 6.307 -3.403 583 HE2 PHE 156 HE2 PHE 156 134.941 2.802 -2.762 584 HZ PHE 156 HZ PHE 156 136.857 3.918 -3.829 585 H MET 157 H MET 157 130.658 7.795 -1.439 586 HA MET 157 HA MET 157 130.809 7.135 -4.291 587 1HB MET 157 2HB MET 157 128.947 6.486 -2.094 588 2HB MET 157 1HB MET 157 128.191 6.799 -3.650 589 1HG MET 157 2HG MET 157 130.515 4.962 -3.594 590 2HG MET 157 1HG MET 157 128.992 4.387 -2.917 591 1HE MET 157 1HE MET 157 129.568 2.453 -5.262 592 2HE MET 157 2HE MET 157 130.923 3.574 -5.396 593 3HE MET 157 3HE MET 157 129.910 3.246 -6.801 594 H LYS 158 H LYS 158 131.005 9.884 -3.017 595 HA LYS 158 HA LYS 158 128.613 11.191 -4.039 596 1HB LYS 158 2HB LYS 158 130.220 11.727 -1.900 597 2HB LYS 158 1HB LYS 158 130.831 12.872 -3.086 598 1HG LYS 158 2HG LYS 158 127.906 12.757 -2.861 599 2HG LYS 158 1HG LYS 158 128.752 13.344 -1.428 600 1HD LYS 158 2HD LYS 158 129.806 15.084 -2.670 601 2HD LYS 158 1HD LYS 158 129.250 14.407 -4.202 602 1HE LYS 158 2HE LYS 158 127.937 16.372 -3.496 603 2HE LYS 158 1HE LYS 158 126.957 14.913 -3.638 604 1HZ LYS 158 1HZ LYS 158 126.342 16.007 -1.643 605 2HZ LYS 158 2HZ LYS 158 127.949 16.176 -1.145 606 3HZ LYS 158 3HZ LYS 158 127.236 14.644 -1.189 607 H GLY 159 H GLY 159 130.563 9.876 -5.861 608 1HA GLY 159 2HA GLY 159 130.835 10.575 -8.140 609 2HA GLY 159 1HA GLY 159 131.054 12.221 -7.569 610 H VAL 160 H VAL 160 132.562 9.024 -7.090 611 HA VAL 160 HA VAL 160 135.182 10.339 -7.038 612 HB VAL 160 HB VAL 160 135.970 8.045 -6.271 613 1HG1 VAL 160 1HG1 VAL 160 135.718 9.934 -4.753 614 2HG1 VAL 160 2HG1 VAL 160 135.252 8.427 -3.965 615 3HG1 VAL 160 3HG1 VAL 160 134.012 9.543 -4.537 616 1HG2 VAL 160 1HG2 VAL 160 133.031 7.611 -5.771 617 2HG2 VAL 160 2HG2 VAL 160 134.354 6.508 -5.394 618 3HG2 VAL 160 3HG2 VAL 160 133.939 6.846 -7.074 619 H GLU 161 H GLU 161 133.657 9.876 -9.506 620 HA GLU 161 HA GLU 161 135.313 7.853 -10.842 621 1HB GLU 161 2HB GLU 161 132.732 9.202 -11.634 622 2HB GLU 161 1HB GLU 161 133.663 8.200 -12.739 623 1HG GLU 161 2HG GLU 161 133.001 7.014 -10.118 624 2HG GLU 161 1HG GLU 161 131.664 7.264 -11.242 Start of MODEL 17 1 1H MET 81 1HT MET 81 91.700 16.769 -2.049 2 2H MET 81 2HT MET 81 90.603 15.649 -2.747 3 3H MET 81 3HT MET 81 90.852 17.180 -3.480 4 HA MET 81 HA MET 81 92.042 15.726 -4.766 5 1HB MET 81 2HB MET 81 93.932 16.896 -2.713 6 2HB MET 81 1HB MET 81 94.357 16.421 -4.351 7 1HG MET 81 2HG MET 81 93.981 18.531 -4.915 8 2HG MET 81 1HG MET 81 92.267 18.162 -4.737 9 1HE MET 81 1HE MET 81 93.386 21.711 -3.441 10 2HE MET 81 2HE MET 81 94.053 20.654 -4.684 11 3HE MET 81 3HE MET 81 94.931 20.903 -3.175 12 H VAL 82 H VAL 82 93.447 13.930 -5.035 13 HA VAL 82 HA VAL 82 93.911 12.290 -2.645 14 HB VAL 82 HB VAL 82 91.834 11.482 -3.692 15 1HG1 VAL 82 1HG1 VAL 82 93.199 10.391 -6.056 16 2HG1 VAL 82 2HG1 VAL 82 92.957 12.138 -6.063 17 3HG1 VAL 82 3HG1 VAL 82 91.574 11.056 -5.886 18 1HG2 VAL 82 1HG2 VAL 82 92.674 9.649 -2.696 19 2HG2 VAL 82 2HG2 VAL 82 94.272 9.869 -3.409 20 3HG2 VAL 82 3HG2 VAL 82 92.985 9.110 -4.346 21 H ARG 83 H ARG 83 95.996 11.813 -2.541 22 HA ARG 83 HA ARG 83 97.422 11.078 -4.989 23 1HB ARG 83 2HB ARG 83 99.383 12.433 -4.263 24 2HB ARG 83 1HB ARG 83 97.985 13.400 -4.712 25 1HG ARG 83 2HG ARG 83 97.647 13.025 -2.004 26 2HG ARG 83 1HG ARG 83 99.393 13.217 -2.179 27 1HD ARG 83 2HD ARG 83 98.592 15.212 -3.764 28 2HD ARG 83 1HD ARG 83 97.202 15.148 -2.681 29 HE ARG 83 HE ARG 83 99.580 15.146 -1.172 30 1HH1 ARG 83 1HH1 ARG 83 97.631 17.263 -3.146 31 2HH1 ARG 83 2HH1 ARG 83 98.134 18.700 -2.322 32 1HH2 ARG 83 1HH2 ARG 83 100.242 17.036 -0.085 33 2HH2 ARG 83 2HH2 ARG 83 99.617 18.572 -0.584 34 H CYS 84 H CYS 84 98.078 9.067 -4.622 35 HA CYS 84 HA CYS 84 99.486 8.486 -2.120 36 1HB CYS 84 2HB CYS 84 97.233 6.849 -3.289 37 2HB CYS 84 1HB CYS 84 98.345 6.233 -2.073 38 HG CYS 84 HG CYS 84 97.121 8.706 -0.984 39 H MET 85 H MET 85 101.329 8.738 -3.552 40 HA MET 85 HA MET 85 102.263 6.242 -4.529 41 1HB MET 85 2HB MET 85 100.704 7.249 -6.383 42 2HB MET 85 1HB MET 85 102.086 8.282 -6.713 43 1HG MET 85 2HG MET 85 103.467 6.402 -7.206 44 2HG MET 85 1HG MET 85 102.220 5.280 -6.661 45 1HE MET 85 1HE MET 85 103.612 4.855 -9.464 46 2HE MET 85 2HE MET 85 102.197 4.499 -10.454 47 3HE MET 85 3HE MET 85 102.313 3.855 -8.816 48 H LYS 86 H LYS 86 102.641 9.761 -4.732 49 HA LYS 86 HA LYS 86 105.553 9.407 -4.514 50 1HB LYS 86 2HB LYS 86 104.616 10.717 -6.460 51 2HB LYS 86 1HB LYS 86 104.080 11.922 -5.298 52 1HG LYS 86 2HG LYS 86 106.400 12.268 -4.594 53 2HG LYS 86 1HG LYS 86 106.927 11.079 -5.786 54 1HD LYS 86 2HD LYS 86 105.531 12.665 -7.403 55 2HD LYS 86 1HD LYS 86 105.945 13.854 -6.167 56 1HE LYS 86 2HE LYS 86 108.340 13.103 -6.415 57 2HE LYS 86 1HE LYS 86 107.820 12.181 -7.826 58 1HZ LYS 86 1HZ LYS 86 107.038 14.981 -7.767 59 2HZ LYS 86 2HZ LYS 86 107.584 14.035 -9.058 60 3HZ LYS 86 3HZ LYS 86 108.693 14.681 -7.957 61 H ASP 87 H ASP 87 105.801 9.178 -2.320 62 HA ASP 87 HA ASP 87 104.725 11.291 -0.594 63 1HB ASP 87 2HB ASP 87 104.687 8.611 -0.220 64 2HB ASP 87 1HB ASP 87 106.183 9.018 0.617 65 H ASP 88 H ASP 88 107.760 9.564 -1.268 66 HA ASP 88 HA ASP 88 109.355 11.283 0.346 67 1HB ASP 88 2HB ASP 88 109.985 9.229 -1.765 68 2HB ASP 88 1HB ASP 88 111.252 10.208 -1.030 69 H SER 89 H SER 89 111.440 12.196 -0.931 70 HA SER 89 HA SER 89 110.351 14.294 -2.618 71 1HB SER 89 2HB SER 89 113.211 13.962 -1.694 72 2HB SER 89 1HB SER 89 112.438 15.432 -2.286 73 HG SER 89 HG SER 89 112.002 14.077 0.156 74 H LYS 90 H LYS 90 113.317 12.322 -2.839 75 HA LYS 90 HA LYS 90 112.965 12.304 -5.762 76 1HB LYS 90 2HB LYS 90 115.167 13.053 -4.214 77 2HB LYS 90 1HB LYS 90 115.591 11.470 -4.851 78 1HG LYS 90 2HG LYS 90 115.413 12.198 -7.076 79 2HG LYS 90 1HG LYS 90 114.557 13.670 -6.610 80 1HD LYS 90 2HD LYS 90 116.473 14.723 -5.907 81 2HD LYS 90 1HD LYS 90 117.298 13.208 -5.536 82 1HE LYS 90 2HE LYS 90 117.958 12.875 -7.705 83 2HE LYS 90 1HE LYS 90 116.605 13.790 -8.370 84 1HZ LYS 90 1HZ LYS 90 118.675 15.179 -6.807 85 2HZ LYS 90 2HZ LYS 90 117.668 15.784 -8.025 86 3HZ LYS 90 3HZ LYS 90 118.975 14.786 -8.425 87 H GLY 91 H GLY 91 114.204 10.319 -6.750 88 1HA GLY 91 2HA GLY 91 112.880 7.981 -5.665 89 2HA GLY 91 1HA GLY 91 113.758 8.074 -7.184 90 H LYS 92 H LYS 92 116.208 8.438 -6.856 91 HA LYS 92 HA LYS 92 117.095 6.411 -4.941 92 1HB LYS 92 2HB LYS 92 118.069 7.403 -7.554 93 2HB LYS 92 1HB LYS 92 119.307 6.934 -6.397 94 1HG LYS 92 2HG LYS 92 118.448 4.717 -6.260 95 2HG LYS 92 1HG LYS 92 117.016 5.156 -7.191 96 1HD LYS 92 2HD LYS 92 118.096 4.552 -9.038 97 2HD LYS 92 1HD LYS 92 119.220 5.887 -8.771 98 1HE LYS 92 2HE LYS 92 120.215 4.047 -7.060 99 2HE LYS 92 1HE LYS 92 119.559 2.996 -8.313 100 1HZ LYS 92 1HZ LYS 92 120.806 4.557 -9.902 101 2HZ LYS 92 2HZ LYS 92 121.699 3.414 -9.034 102 3HZ LYS 92 3HZ LYS 92 121.681 5.030 -8.533 103 H THR 93 H THR 93 117.080 7.672 -3.053 104 HA THR 93 HA THR 93 118.897 9.970 -2.977 105 HB THR 93 HB THR 93 117.841 9.900 -0.492 106 HG1 THR 93 HG1 THR 93 115.779 9.149 -0.548 107 1HG2 THR 93 1HG2 THR 93 117.229 11.888 -1.242 108 2HG2 THR 93 2HG2 THR 93 115.798 11.114 -1.924 109 3HG2 THR 93 3HG2 THR 93 117.240 11.330 -2.916 110 H GLU 94 H GLU 94 119.831 10.069 -0.507 111 HA GLU 94 HA GLU 94 121.938 8.217 -0.472 112 1HB GLU 94 2HB GLU 94 120.902 10.264 1.439 113 2HB GLU 94 1HB GLU 94 122.094 9.105 2.012 114 1HG GLU 94 2HG GLU 94 123.536 9.794 0.073 115 2HG GLU 94 1HG GLU 94 122.388 11.101 -0.214 116 H GLU 95 H GLU 95 118.736 8.028 0.794 117 HA GLU 95 HA GLU 95 119.113 6.196 2.882 118 1HB GLU 95 2HB GLU 95 116.732 5.662 2.597 119 2HB GLU 95 1HB GLU 95 117.015 7.397 2.569 120 1HG GLU 95 2HG GLU 95 116.939 7.313 0.091 121 2HG GLU 95 1HG GLU 95 116.498 5.610 0.205 122 H GLU 96 H GLU 96 118.534 5.688 -0.576 123 HA GLU 96 HA GLU 96 118.360 2.873 -0.450 124 1HB GLU 96 2HB GLU 96 118.601 2.908 -2.854 125 2HB GLU 96 1HB GLU 96 117.556 4.233 -2.361 126 1HG GLU 96 2HG GLU 96 118.864 5.695 -3.373 127 2HG GLU 96 1HG GLU 96 120.257 5.153 -2.436 128 H LEU 97 H LEU 97 121.059 5.070 -0.568 129 HA LEU 97 HA LEU 97 123.063 3.359 -1.490 130 1HB LEU 97 2HB LEU 97 122.905 5.909 -0.112 131 2HB LEU 97 1HB LEU 97 124.276 4.967 0.441 132 HG LEU 97 HG LEU 97 123.748 5.519 -2.473 133 1HD1 LEU 97 1HD1 LEU 97 125.482 7.056 -0.547 134 2HD1 LEU 97 2HD1 LEU 97 124.023 7.645 -1.342 135 3HD1 LEU 97 3HD1 LEU 97 125.458 7.269 -2.297 136 1HD2 LEU 97 1HD2 LEU 97 126.231 5.051 -2.562 137 2HD2 LEU 97 2HD2 LEU 97 125.195 3.669 -2.209 138 3HD2 LEU 97 3HD2 LEU 97 126.088 4.457 -0.908 139 H SER 98 H SER 98 121.520 3.601 1.629 140 HA SER 98 HA SER 98 123.427 2.163 3.136 141 1HB SER 98 2HB SER 98 121.469 3.593 3.989 142 2HB SER 98 1HB SER 98 120.467 2.167 3.709 143 HG SER 98 HG SER 98 122.830 2.079 5.259 144 H ASP 99 H ASP 99 120.813 1.180 1.040 145 HA ASP 99 HA ASP 99 120.569 -1.492 1.888 146 1HB ASP 99 2HB ASP 99 119.080 -0.082 0.273 147 2HB ASP 99 1HB ASP 99 120.167 -0.686 -0.975 148 H LEU 100 H LEU 100 122.466 -0.066 -0.765 149 HA LEU 100 HA LEU 100 123.660 -2.473 -1.604 150 1HB LEU 100 2HB LEU 100 124.048 0.398 -2.091 151 2HB LEU 100 1HB LEU 100 125.498 -0.567 -2.281 152 HG LEU 100 HG LEU 100 122.929 -1.276 -3.675 153 1HD1 LEU 100 1HD1 LEU 100 123.434 0.048 -5.488 154 2HD1 LEU 100 2HD1 LEU 100 125.134 0.200 -5.041 155 3HD1 LEU 100 3HD1 LEU 100 123.903 1.094 -4.146 156 1HD2 LEU 100 1HD2 LEU 100 125.805 -2.083 -3.904 157 2HD2 LEU 100 2HD2 LEU 100 124.699 -2.264 -5.266 158 3HD2 LEU 100 3HD2 LEU 100 124.371 -3.098 -3.748 159 H PHE 101 H PHE 101 124.464 -0.196 0.918 160 HA PHE 101 HA PHE 101 127.120 -0.942 1.391 161 1HB PHE 101 2HB PHE 101 126.088 1.053 2.387 162 2HB PHE 101 1HB PHE 101 125.054 0.028 3.377 163 HD1 PHE 101 HD1 PHE 101 125.820 -0.871 5.411 164 HD2 PHE 101 HD2 PHE 101 128.557 1.029 2.762 165 HE1 PHE 101 HE1 PHE 101 127.543 -0.912 7.168 166 HE2 PHE 101 HE2 PHE 101 130.284 0.992 4.513 167 HZ PHE 101 HZ PHE 101 129.779 0.019 6.719 168 H ARG 102 H ARG 102 124.086 -2.279 2.613 169 HA ARG 102 HA ARG 102 125.170 -4.066 4.480 170 1HB ARG 102 2HB ARG 102 122.672 -3.367 3.874 171 2HB ARG 102 1HB ARG 102 122.741 -4.861 2.952 172 1HG ARG 102 2HG ARG 102 123.778 -5.625 5.362 173 2HG ARG 102 1HG ARG 102 122.558 -4.439 5.830 174 1HD ARG 102 2HD ARG 102 121.971 -6.659 3.893 175 2HD ARG 102 1HD ARG 102 121.817 -6.874 5.636 176 HE ARG 102 HE ARG 102 120.002 -5.515 3.919 177 1HH1 ARG 102 1HH1 ARG 102 121.330 -5.476 7.147 178 2HH1 ARG 102 2HH1 ARG 102 119.944 -4.705 7.842 179 1HH2 ARG 102 1HH2 ARG 102 118.181 -4.498 4.831 180 2HH2 ARG 102 2HH2 ARG 102 118.157 -4.149 6.528 181 H MET 103 H MET 103 124.810 -4.269 1.010 182 HA MET 103 HA MET 103 125.270 -7.065 0.782 183 1HB MET 103 2HB MET 103 125.244 -4.748 -1.096 184 2HB MET 103 1HB MET 103 125.998 -6.244 -1.631 185 1HG MET 103 2HG MET 103 123.645 -7.149 -0.607 186 2HG MET 103 1HG MET 103 123.175 -5.579 -1.258 187 1HE MET 103 1HE MET 103 124.928 -9.108 -3.609 188 2HE MET 103 2HE MET 103 124.996 -8.849 -1.865 189 3HE MET 103 3HE MET 103 126.070 -7.946 -2.934 190 H PHE 104 H PHE 104 127.344 -4.249 0.924 191 HA PHE 104 HA PHE 104 129.722 -5.610 0.103 192 1HB PHE 104 2HB PHE 104 128.972 -2.913 0.933 193 2HB PHE 104 1HB PHE 104 130.548 -3.396 1.551 194 HD1 PHE 104 HD1 PHE 104 128.554 -3.199 -1.575 195 HD2 PHE 104 HD2 PHE 104 132.424 -3.281 0.192 196 HE1 PHE 104 HE1 PHE 104 129.560 -2.693 -3.764 197 HE2 PHE 104 HE2 PHE 104 133.438 -2.774 -1.993 198 HZ PHE 104 HZ PHE 104 132.004 -2.479 -3.973 199 H ASP 105 H ASP 105 128.141 -4.960 3.161 200 HA ASP 105 HA ASP 105 130.382 -5.885 4.730 201 1HB ASP 105 2HB ASP 105 128.559 -4.136 5.387 202 2HB ASP 105 1HB ASP 105 127.601 -5.551 5.811 203 H LYS 106 H LYS 106 130.507 -7.797 5.898 204 HA LYS 106 HA LYS 106 128.780 -9.949 4.891 205 1HB LYS 106 2HB LYS 106 131.251 -10.142 4.573 206 2HB LYS 106 1HB LYS 106 131.432 -10.178 6.322 207 1HG LYS 106 2HG LYS 106 131.528 -12.414 5.362 208 2HG LYS 106 1HG LYS 106 130.139 -12.231 6.436 209 1HD LYS 106 2HD LYS 106 128.656 -12.520 4.767 210 2HD LYS 106 1HD LYS 106 129.612 -11.578 3.621 211 1HE LYS 106 2HE LYS 106 130.612 -13.400 2.779 212 2HE LYS 106 1HE LYS 106 130.830 -14.131 4.368 213 1HZ LYS 106 1HZ LYS 106 128.226 -14.077 2.951 214 2HZ LYS 106 2HZ LYS 106 128.636 -14.979 4.323 215 3HZ LYS 106 3HZ LYS 106 129.322 -15.360 2.824 216 H ASN 107 H ASN 107 130.099 -8.569 7.864 217 HA ASN 107 HA ASN 107 128.589 -10.394 9.528 218 1HB ASN 107 2HB ASN 107 130.242 -7.979 10.294 219 2HB ASN 107 1HB ASN 107 129.598 -9.183 11.406 220 1HD2 ASN 107 1HD2 ASN 107 130.754 -10.950 11.813 221 2HD2 ASN 107 2HD2 ASN 107 132.211 -11.395 10.996 222 H ALA 108 H ALA 108 128.130 -7.306 8.096 223 HA ALA 108 HA ALA 108 126.401 -5.831 8.133 224 1HB ALA 108 1HB ALA 108 124.283 -6.815 9.427 225 2HB ALA 108 2HB ALA 108 125.176 -8.314 9.174 226 3HB ALA 108 3HB ALA 108 124.721 -7.315 7.794 227 H ASP 109 H ASP 109 128.388 -5.555 10.076 228 HA ASP 109 HA ASP 109 127.001 -4.881 12.556 229 1HB ASP 109 2HB ASP 109 129.342 -4.360 13.363 230 2HB ASP 109 1HB ASP 109 129.058 -6.038 12.908 231 H GLY 110 H GLY 110 128.372 -3.387 9.742 232 1HA GLY 110 2HA GLY 110 127.372 -1.124 9.340 233 2HA GLY 110 1HA GLY 110 127.916 -0.733 10.963 234 H TYR 111 H TYR 111 130.346 -2.570 10.055 235 HA TYR 111 HA TYR 111 131.736 -0.470 8.536 236 1HB TYR 111 2HB TYR 111 132.994 -2.038 10.791 237 2HB TYR 111 1HB TYR 111 133.692 -0.681 9.912 238 HD1 TYR 111 HD1 TYR 111 133.436 1.495 10.718 239 HD2 TYR 111 HD2 TYR 111 130.880 -1.577 12.180 240 HE1 TYR 111 HE1 TYR 111 132.536 3.049 12.398 241 HE2 TYR 111 HE2 TYR 111 129.972 -0.031 13.863 242 HH TYR 111 HH TYR 111 129.957 2.957 13.799 243 H ILE 112 H ILE 112 133.644 -1.220 7.378 244 HA ILE 112 HA ILE 112 133.610 -4.107 6.813 245 HB ILE 112 HB ILE 112 133.977 -1.989 4.697 246 1HG1 ILE 112 2HG1 ILE 112 131.534 -3.721 5.058 247 2HG1 ILE 112 1HG1 ILE 112 131.653 -2.113 5.764 248 1HG2 ILE 112 1HG2 ILE 112 133.460 -4.948 4.437 249 2HG2 ILE 112 2HG2 ILE 112 135.049 -4.192 4.316 250 3HG2 ILE 112 3HG2 ILE 112 133.797 -3.809 3.134 251 1HD1 ILE 112 1HD1 ILE 112 132.016 -2.633 2.831 252 2HD1 ILE 112 2HD1 ILE 112 131.753 -1.090 3.642 253 3HD1 ILE 112 3HD1 ILE 112 130.452 -2.277 3.563 254 H ASP 113 H ASP 113 135.582 -5.038 6.244 255 HA ASP 113 HA ASP 113 137.950 -3.310 6.380 256 1HB ASP 113 2HB ASP 113 139.083 -4.925 7.843 257 2HB ASP 113 1HB ASP 113 137.634 -4.281 8.611 258 H LEU 114 H LEU 114 139.953 -5.011 6.045 259 HA LEU 114 HA LEU 114 139.862 -5.691 3.335 260 1HB LEU 114 2HB LEU 114 141.723 -6.431 5.571 261 2HB LEU 114 1HB LEU 114 141.948 -7.082 3.959 262 HG LEU 114 HG LEU 114 141.827 -4.124 4.513 263 1HD1 LEU 114 1HD1 LEU 114 144.424 -5.414 3.968 264 2HD1 LEU 114 2HD1 LEU 114 143.746 -5.662 5.578 265 3HD1 LEU 114 3HD1 LEU 114 144.032 -4.026 4.984 266 1HD2 LEU 114 1HD2 LEU 114 142.379 -5.846 2.158 267 2HD2 LEU 114 2HD2 LEU 114 143.292 -4.346 2.320 268 3HD2 LEU 114 3HD2 LEU 114 141.530 -4.304 2.260 269 H GLU 115 H GLU 115 139.158 -7.563 6.207 270 HA GLU 115 HA GLU 115 139.138 -10.112 4.953 271 1HB GLU 115 2HB GLU 115 139.244 -9.500 7.477 272 2HB GLU 115 1HB GLU 115 137.490 -9.446 7.373 273 1HG GLU 115 2HG GLU 115 137.306 -11.667 7.334 274 2HG GLU 115 1HG GLU 115 138.647 -11.851 6.203 275 H GLU 116 H GLU 116 136.457 -8.016 6.034 276 HA GLU 116 HA GLU 116 134.426 -9.550 4.821 277 1HB GLU 116 2HB GLU 116 134.587 -6.746 5.871 278 2HB GLU 116 1HB GLU 116 133.154 -7.277 5.003 279 1HG GLU 116 2HG GLU 116 132.414 -8.486 6.724 280 2HG GLU 116 1HG GLU 116 134.013 -9.128 7.088 281 H LEU 117 H LEU 117 136.573 -7.116 3.590 282 HA LEU 117 HA LEU 117 135.020 -6.580 1.225 283 1HB LEU 117 2HB LEU 117 136.428 -4.837 2.119 284 2HB LEU 117 1HB LEU 117 137.844 -5.862 1.999 285 HG LEU 117 HG LEU 117 137.521 -5.863 -0.500 286 1HD1 LEU 117 1HD1 LEU 117 135.923 -4.645 -1.533 287 2HD1 LEU 117 2HD1 LEU 117 135.908 -3.398 -0.285 288 3HD1 LEU 117 3HD1 LEU 117 135.061 -4.921 -0.019 289 1HD2 LEU 117 1HD2 LEU 117 137.862 -3.031 0.288 290 2HD2 LEU 117 2HD2 LEU 117 138.889 -4.067 -0.703 291 3HD2 LEU 117 3HD2 LEU 117 138.928 -4.209 1.054 292 H LYS 118 H LYS 118 137.611 -8.726 2.152 293 HA LYS 118 HA LYS 118 138.382 -9.447 -0.500 294 1HB LYS 118 2HB LYS 118 139.869 -9.693 1.467 295 2HB LYS 118 1HB LYS 118 138.812 -10.954 2.085 296 1HG LYS 118 2HG LYS 118 139.276 -12.283 0.050 297 2HG LYS 118 1HG LYS 118 140.425 -11.040 -0.454 298 1HD LYS 118 2HD LYS 118 141.282 -11.530 2.067 299 2HD LYS 118 1HD LYS 118 140.667 -13.120 1.617 300 1HE LYS 118 2HE LYS 118 142.031 -12.948 -0.480 301 2HE LYS 118 1HE LYS 118 142.759 -11.489 0.189 302 1HZ LYS 118 1HZ LYS 118 144.151 -13.391 0.621 303 2HZ LYS 118 2HZ LYS 118 142.877 -14.208 1.378 304 3HZ LYS 118 3HZ LYS 118 143.523 -12.814 2.083 305 H ILE 119 H ILE 119 136.343 -10.983 1.972 306 HA ILE 119 HA ILE 119 135.724 -13.318 0.585 307 HB ILE 119 HB ILE 119 133.662 -13.403 1.977 308 1HG1 ILE 119 2HG1 ILE 119 133.848 -11.479 3.843 309 2HG1 ILE 119 1HG1 ILE 119 134.459 -10.583 2.456 310 1HG2 ILE 119 1HG2 ILE 119 135.753 -12.609 3.898 311 2HG2 ILE 119 2HG2 ILE 119 136.212 -13.823 2.703 312 3HG2 ILE 119 3HG2 ILE 119 134.836 -14.110 3.769 313 1HD1 ILE 119 1HD1 ILE 119 132.216 -11.787 1.449 314 2HD1 ILE 119 2HD1 ILE 119 132.326 -10.128 2.036 315 3HD1 ILE 119 3HD1 ILE 119 131.750 -11.405 3.106 316 H MET 120 H MET 120 134.129 -10.153 0.525 317 HA MET 120 HA MET 120 131.989 -10.936 -1.154 318 1HB MET 120 2HB MET 120 131.619 -8.534 -1.482 319 2HB MET 120 1HB MET 120 131.878 -8.918 0.215 320 1HG MET 120 2HG MET 120 133.907 -7.867 0.291 321 2HG MET 120 1HG MET 120 134.206 -8.080 -1.433 322 1HE MET 120 1HE MET 120 131.737 -5.920 -3.080 323 2HE MET 120 2HE MET 120 132.999 -7.150 -3.160 324 3HE MET 120 3HE MET 120 133.430 -5.441 -3.201 325 H LEU 121 H LEU 121 135.264 -9.912 -1.773 326 HA LEU 121 HA LEU 121 134.885 -9.358 -4.551 327 1HB LEU 121 2HB LEU 121 137.104 -9.396 -2.645 328 2HB LEU 121 1HB LEU 121 137.565 -9.928 -4.252 329 HG LEU 121 HG LEU 121 137.951 -7.522 -3.912 330 1HD1 LEU 121 1HD1 LEU 121 137.683 -8.043 -6.153 331 2HD1 LEU 121 2HD1 LEU 121 136.491 -6.768 -5.906 332 3HD1 LEU 121 3HD1 LEU 121 135.979 -8.455 -5.961 333 1HD2 LEU 121 1HD2 LEU 121 135.671 -6.186 -4.035 334 2HD2 LEU 121 2HD2 LEU 121 136.387 -6.658 -2.493 335 3HD2 LEU 121 3HD2 LEU 121 135.072 -7.609 -3.183 336 H GLN 122 H GLN 122 135.693 -12.186 -2.662 337 HA GLN 122 HA GLN 122 136.725 -13.818 -4.689 338 1HB GLN 122 2HB GLN 122 135.273 -14.422 -2.121 339 2HB GLN 122 1HB GLN 122 135.811 -15.707 -3.197 340 1HG GLN 122 2HG GLN 122 138.121 -14.628 -3.030 341 2HG GLN 122 1HG GLN 122 137.462 -13.742 -1.655 342 1HE2 GLN 122 1HE2 GLN 122 139.087 -16.462 -2.576 343 2HE2 GLN 122 2HE2 GLN 122 138.813 -17.442 -1.178 344 H ALA 123 H ALA 123 133.452 -12.929 -3.879 345 HA ALA 123 HA ALA 123 132.040 -14.953 -5.182 346 1HB ALA 123 1HB ALA 123 130.164 -13.436 -5.207 347 2HB ALA 123 2HB ALA 123 131.233 -12.057 -4.947 348 3HB ALA 123 3HB ALA 123 131.032 -13.269 -3.681 349 H THR 124 H THR 124 133.709 -12.160 -6.443 350 HA THR 124 HA THR 124 132.522 -11.973 -8.964 351 HB THR 124 HB THR 124 134.531 -10.801 -9.660 352 HG1 THR 124 HG1 THR 124 135.667 -11.964 -7.343 353 1HG2 THR 124 1HG2 THR 124 134.610 -9.903 -6.885 354 2HG2 THR 124 2HG2 THR 124 132.989 -9.985 -7.575 355 3HG2 THR 124 3HG2 THR 124 134.234 -9.015 -8.362 356 H GLY 125 H GLY 125 133.373 -12.644 -11.050 357 1HA GLY 125 2HA GLY 125 134.051 -15.444 -11.030 358 2HA GLY 125 1HA GLY 125 133.762 -14.449 -12.449 359 H GLU 126 H GLU 126 135.692 -12.448 -11.949 360 HA GLU 126 HA GLU 126 138.020 -13.793 -12.930 361 1HB GLU 126 2HB GLU 126 139.014 -11.485 -12.914 362 2HB GLU 126 1HB GLU 126 137.534 -11.646 -13.850 363 1HG GLU 126 2HG GLU 126 136.257 -10.534 -12.223 364 2HG GLU 126 1HG GLU 126 137.536 -10.668 -11.018 365 H THR 127 H THR 127 140.025 -14.014 -11.965 366 HA THR 127 HA THR 127 140.025 -14.403 -9.151 367 HB THR 127 HB THR 127 142.363 -15.020 -9.422 368 HG1 THR 127 HG1 THR 127 143.416 -14.698 -11.367 369 1HG2 THR 127 1HG2 THR 127 140.997 -16.021 -11.893 370 2HG2 THR 127 2HG2 THR 127 140.546 -16.569 -10.277 371 3HG2 THR 127 3HG2 THR 127 142.183 -16.841 -10.876 372 H ILE 128 H ILE 128 139.997 -12.761 -7.760 373 HA ILE 128 HA ILE 128 141.224 -10.219 -8.417 374 HB ILE 128 HB ILE 128 139.912 -11.000 -5.816 375 1HG1 ILE 128 2HG1 ILE 128 138.386 -11.391 -7.721 376 2HG1 ILE 128 1HG1 ILE 128 137.845 -10.061 -6.702 377 1HG2 ILE 128 1HG2 ILE 128 139.686 -8.674 -5.423 378 2HG2 ILE 128 2HG2 ILE 128 140.181 -8.278 -7.067 379 3HG2 ILE 128 3HG2 ILE 128 141.354 -8.938 -5.928 380 1HD1 ILE 128 1HD1 ILE 128 138.978 -8.523 -8.365 381 2HD1 ILE 128 2HD1 ILE 128 137.516 -9.348 -8.906 382 3HD1 ILE 128 3HD1 ILE 128 139.099 -9.931 -9.421 383 H THR 129 H THR 129 142.949 -9.273 -7.358 384 HA THR 129 HA THR 129 144.636 -11.134 -5.831 385 HB THR 129 HB THR 129 145.603 -10.265 -7.929 386 HG1 THR 129 HG1 THR 129 147.275 -10.596 -6.695 387 1HG2 THR 129 1HG2 THR 129 145.931 -7.566 -6.742 388 2HG2 THR 129 2HG2 THR 129 144.424 -7.951 -7.571 389 3HG2 THR 129 3HG2 THR 129 145.958 -8.074 -8.430 390 H GLU 130 H GLU 130 145.896 -10.271 -4.053 391 HA GLU 130 HA GLU 130 144.351 -8.838 -2.208 392 1HB GLU 130 2HB GLU 130 147.354 -9.074 -2.087 393 2HB GLU 130 1HB GLU 130 146.221 -8.954 -0.747 394 1HG GLU 130 2HG GLU 130 145.372 -11.216 -2.026 395 2HG GLU 130 1HG GLU 130 147.119 -11.288 -2.246 396 H ASP 131 H ASP 131 146.747 -7.796 -4.533 397 HA ASP 131 HA ASP 131 147.247 -5.227 -3.500 398 1HB ASP 131 2HB ASP 131 148.192 -6.700 -5.620 399 2HB ASP 131 1HB ASP 131 147.285 -5.426 -6.429 400 H ASP 132 H ASP 132 144.714 -6.485 -5.581 401 HA ASP 132 HA ASP 132 143.637 -3.911 -6.240 402 1HB ASP 132 2HB ASP 132 143.016 -6.721 -6.839 403 2HB ASP 132 1HB ASP 132 141.598 -5.686 -6.713 404 H ILE 133 H ILE 133 142.729 -6.512 -3.999 405 HA ILE 133 HA ILE 133 140.405 -5.295 -2.989 406 HB ILE 133 HB ILE 133 142.238 -7.177 -1.500 407 1HG1 ILE 133 2HG1 ILE 133 139.815 -8.189 -2.874 408 2HG1 ILE 133 1HG1 ILE 133 141.160 -7.732 -3.914 409 1HG2 ILE 133 1HG2 ILE 133 139.269 -6.768 -1.205 410 2HG2 ILE 133 2HG2 ILE 133 140.478 -5.992 -0.182 411 3HG2 ILE 133 3HG2 ILE 133 140.326 -7.749 -0.190 412 1HD1 ILE 133 1HD1 ILE 133 142.574 -9.336 -2.973 413 2HD1 ILE 133 2HD1 ILE 133 141.022 -10.152 -3.161 414 3HD1 ILE 133 3HD1 ILE 133 141.524 -9.567 -1.575 415 H GLU 134 H GLU 134 143.786 -4.869 -2.232 416 HA GLU 134 HA GLU 134 143.384 -3.498 0.239 417 1HB GLU 134 2HB GLU 134 145.696 -3.933 -1.606 418 2HB GLU 134 1HB GLU 134 145.817 -2.683 -0.374 419 1HG GLU 134 2HG GLU 134 145.004 -4.628 1.201 420 2HG GLU 134 1HG GLU 134 145.677 -5.636 -0.079 421 H GLU 135 H GLU 135 143.597 -2.544 -3.123 422 HA GLU 135 HA GLU 135 143.884 0.249 -2.633 423 1HB GLU 135 2HB GLU 135 143.094 -1.365 -5.049 424 2HB GLU 135 1HB GLU 135 143.092 0.394 -5.071 425 1HG GLU 135 2HG GLU 135 145.448 0.452 -4.600 426 2HG GLU 135 1HG GLU 135 145.487 -1.299 -4.401 427 H LEU 136 H LEU 136 141.184 -1.935 -2.827 428 HA LEU 136 HA LEU 136 139.108 -0.168 -3.395 429 1HB LEU 136 2HB LEU 136 139.383 -2.829 -2.226 430 2HB LEU 136 1HB LEU 136 138.009 -1.948 -1.588 431 HG LEU 136 HG LEU 136 138.336 -1.982 -4.539 432 1HD1 LEU 136 1HD1 LEU 136 138.807 -4.277 -4.088 433 2HD1 LEU 136 2HD1 LEU 136 137.131 -4.165 -4.629 434 3HD1 LEU 136 3HD1 LEU 136 137.493 -4.374 -2.916 435 1HD2 LEU 136 1HD2 LEU 136 135.763 -2.510 -4.037 436 2HD2 LEU 136 2HD2 LEU 136 136.423 -0.875 -4.053 437 3HD2 LEU 136 3HD2 LEU 136 136.192 -1.717 -2.521 438 H MET 137 H MET 137 140.734 -0.872 -0.350 439 HA MET 137 HA MET 137 138.942 0.806 1.174 440 1HB MET 137 2HB MET 137 141.555 -0.478 1.990 441 2HB MET 137 1HB MET 137 140.388 0.267 3.073 442 1HG MET 137 2HG MET 137 138.887 -1.586 1.694 443 2HG MET 137 1HG MET 137 140.435 -2.397 1.926 444 1HE MET 137 1HE MET 137 137.365 -0.934 4.826 445 2HE MET 137 2HE MET 137 137.003 -2.474 4.046 446 3HE MET 137 3HE MET 137 137.352 -1.049 3.065 447 H LYS 138 H LYS 138 141.992 1.113 -0.456 448 HA LYS 138 HA LYS 138 143.095 3.304 0.862 449 1HB LYS 138 2HB LYS 138 143.996 1.817 -1.101 450 2HB LYS 138 1HB LYS 138 143.288 3.064 -2.118 451 1HG LYS 138 2HG LYS 138 144.694 4.739 -1.177 452 2HG LYS 138 1HG LYS 138 145.268 3.634 0.073 453 1HD LYS 138 2HD LYS 138 147.005 3.347 -1.336 454 2HD LYS 138 1HD LYS 138 145.903 2.237 -2.154 455 1HE LYS 138 2HE LYS 138 146.431 3.496 -3.955 456 2HE LYS 138 1HE LYS 138 145.163 4.540 -3.313 457 1HZ LYS 138 1HZ LYS 138 147.839 4.986 -2.268 458 2HZ LYS 138 2HZ LYS 138 146.643 6.103 -2.694 459 3HZ LYS 138 3HZ LYS 138 147.605 5.397 -3.892 460 H ASP 139 H ASP 139 140.966 3.287 -1.999 461 HA ASP 139 HA ASP 139 140.642 6.157 -1.844 462 1HB ASP 139 2HB ASP 139 139.436 5.989 -3.895 463 2HB ASP 139 1HB ASP 139 140.800 4.884 -4.015 464 H GLY 140 H GLY 140 139.016 3.355 -0.684 465 1HA GLY 140 2HA GLY 140 136.423 4.573 -0.427 466 2HA GLY 140 1HA GLY 140 136.934 3.044 0.273 467 H ASP 141 H ASP 141 139.287 4.360 1.545 468 HA ASP 141 HA ASP 141 137.869 5.311 3.907 469 1HB ASP 141 2HB ASP 141 139.652 3.546 4.058 470 2HB ASP 141 1HB ASP 141 140.826 4.770 3.586 471 H LYS 142 H LYS 142 137.528 7.410 4.151 472 HA LYS 142 HA LYS 142 139.448 9.304 2.975 473 1HB LYS 142 2HB LYS 142 136.547 9.720 3.718 474 2HB LYS 142 1HB LYS 142 137.606 10.949 3.040 475 1HG LYS 142 2HG LYS 142 136.887 8.373 1.661 476 2HG LYS 142 1HG LYS 142 136.083 9.918 1.387 477 1HD LYS 142 2HD LYS 142 138.957 10.172 1.176 478 2HD LYS 142 1HD LYS 142 138.338 8.943 0.071 479 1HE LYS 142 2HE LYS 142 136.523 10.882 -0.337 480 2HE LYS 142 1HE LYS 142 137.920 11.868 0.092 481 1HZ LYS 142 1HZ LYS 142 139.098 10.321 -1.625 482 2HZ LYS 142 2HZ LYS 142 138.200 11.656 -2.150 483 3HZ LYS 142 3HZ LYS 142 137.529 10.105 -2.220 484 H ASN 143 H ASN 143 137.902 8.274 5.907 485 HA ASN 143 HA ASN 143 138.766 10.579 7.427 486 1HB ASN 143 2HB ASN 143 137.488 7.977 8.289 487 2HB ASN 143 1HB ASN 143 137.834 9.324 9.367 488 1HD2 ASN 143 1HD2 ASN 143 136.300 10.780 9.643 489 2HD2 ASN 143 2HD2 ASN 143 134.918 10.998 8.629 490 H ASN 144 H ASN 144 140.061 7.545 6.507 491 HA ASN 144 HA ASN 144 142.070 6.561 6.901 492 1HB ASN 144 2HB ASN 144 142.836 9.011 6.874 493 2HB ASN 144 1HB ASN 144 142.832 8.910 8.633 494 1HD2 ASN 144 1HD2 ASN 144 144.261 7.652 5.698 495 2HD2 ASN 144 2HD2 ASN 144 145.702 7.043 6.431 496 H ASP 145 H ASP 145 140.051 5.631 8.371 497 HA ASP 145 HA ASP 145 141.016 5.471 11.140 498 1HB ASP 145 2HB ASP 145 138.797 4.564 11.680 499 2HB ASP 145 1HB ASP 145 138.670 6.128 10.879 500 H GLY 146 H GLY 146 140.512 3.618 8.241 501 1HA GLY 146 2HA GLY 146 142.038 1.662 8.068 502 2HA GLY 146 1HA GLY 146 141.475 1.215 9.671 503 H ARG 147 H ARG 147 138.695 2.044 8.956 504 HA ARG 147 HA ARG 147 138.016 -0.126 7.090 505 1HB ARG 147 2HB ARG 147 136.794 0.430 9.792 506 2HB ARG 147 1HB ARG 147 136.014 -0.575 8.579 507 1HG ARG 147 2HG ARG 147 138.137 -1.967 8.585 508 2HG ARG 147 1HG ARG 147 138.581 -1.081 10.046 509 1HD ARG 147 2HD ARG 147 136.208 -1.776 10.857 510 2HD ARG 147 1HD ARG 147 136.332 -3.003 9.598 511 HE ARG 147 HE ARG 147 138.646 -3.293 10.962 512 1HH1 ARG 147 1HH1 ARG 147 135.302 -3.175 11.954 513 2HH1 ARG 147 2HH1 ARG 147 135.541 -4.212 13.321 514 1HH2 ARG 147 1HH2 ARG 147 138.961 -4.658 12.758 515 2HH2 ARG 147 2HH2 ARG 147 137.618 -5.055 13.777 516 H ILE 148 H ILE 148 135.551 0.035 6.562 517 HA ILE 148 HA ILE 148 134.921 2.873 6.062 518 HB ILE 148 HB ILE 148 134.179 0.543 4.290 519 1HG1 ILE 148 2HG1 ILE 148 136.280 2.665 3.806 520 2HG1 ILE 148 1HG1 ILE 148 136.639 1.034 4.360 521 1HG2 ILE 148 1HG2 ILE 148 133.523 3.414 4.324 522 2HG2 ILE 148 2HG2 ILE 148 132.625 2.049 3.660 523 3HG2 ILE 148 3HG2 ILE 148 133.968 2.746 2.753 524 1HD1 ILE 148 1HD1 ILE 148 136.963 1.381 1.930 525 2HD1 ILE 148 2HD1 ILE 148 135.229 1.664 1.782 526 3HD1 ILE 148 3HD1 ILE 148 135.824 0.094 2.322 527 H ASP 149 H ASP 149 132.860 3.571 6.427 528 HA ASP 149 HA ASP 149 130.868 1.591 7.282 529 1HB ASP 149 2HB ASP 149 130.195 3.097 9.139 530 2HB ASP 149 1HB ASP 149 131.831 2.474 9.328 531 H TYR 150 H TYR 150 128.725 3.037 7.787 532 HA TYR 150 HA TYR 150 127.738 3.796 5.301 533 1HB TYR 150 2HB TYR 150 126.384 3.158 7.322 534 2HB TYR 150 1HB TYR 150 126.694 4.767 7.965 535 HD1 TYR 150 HD1 TYR 150 125.547 3.305 4.714 536 HD2 TYR 150 HD2 TYR 150 124.956 6.252 7.725 537 HE1 TYR 150 HE1 TYR 150 123.599 4.164 3.483 538 HE2 TYR 150 HE2 TYR 150 123.007 7.119 6.502 539 HH TYR 150 HH TYR 150 121.294 5.785 4.585 540 H ASP 151 H ASP 151 129.002 5.808 7.930 541 HA ASP 151 HA ASP 151 128.446 8.307 6.798 542 1HB ASP 151 2HB ASP 151 130.484 7.347 8.786 543 2HB ASP 151 1HB ASP 151 130.494 9.018 8.233 544 H GLU 152 H GLU 152 131.376 6.304 6.591 545 HA GLU 152 HA GLU 152 132.767 8.112 4.892 546 1HB GLU 152 2HB GLU 152 133.257 5.154 5.271 547 2HB GLU 152 1HB GLU 152 134.396 6.332 4.634 548 1HG GLU 152 2HG GLU 152 134.598 7.400 6.747 549 2HG GLU 152 1HG GLU 152 133.261 6.464 7.413 550 H PHE 153 H PHE 153 130.865 5.181 4.319 551 HA PHE 153 HA PHE 153 131.362 4.911 1.582 552 1HB PHE 153 2HB PHE 153 130.008 3.431 3.349 553 2HB PHE 153 1HB PHE 153 128.643 4.249 2.593 554 HD1 PHE 153 HD1 PHE 153 127.702 3.324 0.708 555 HD2 PHE 153 HD2 PHE 153 131.732 2.372 1.688 556 HE1 PHE 153 HE1 PHE 153 127.770 1.716 -1.153 557 HE2 PHE 153 HE2 PHE 153 131.808 0.763 -0.173 558 HZ PHE 153 HZ PHE 153 129.824 0.433 -1.596 559 H LEU 154 H LEU 154 128.963 6.836 3.315 560 HA LEU 154 HA LEU 154 127.448 7.668 1.111 561 1HB LEU 154 2HB LEU 154 127.816 8.512 3.898 562 2HB LEU 154 1HB LEU 154 127.336 9.809 2.821 563 HG LEU 154 HG LEU 154 125.337 8.604 2.177 564 1HD1 LEU 154 1HD1 LEU 154 126.477 6.333 2.427 565 2HD1 LEU 154 2HD1 LEU 154 124.780 6.448 2.896 566 3HD1 LEU 154 3HD1 LEU 154 126.038 6.439 4.132 567 1HD2 LEU 154 1HD2 LEU 154 124.772 9.867 3.990 568 2HD2 LEU 154 2HD2 LEU 154 125.925 9.061 5.052 569 3HD2 LEU 154 3HD2 LEU 154 124.410 8.263 4.626 570 H GLU 155 H GLU 155 130.473 8.848 2.435 571 HA GLU 155 HA GLU 155 130.531 11.199 0.772 572 1HB GLU 155 2HB GLU 155 132.343 9.937 2.771 573 2HB GLU 155 1HB GLU 155 133.062 11.033 1.597 574 1HG GLU 155 2HG GLU 155 131.052 12.577 2.360 575 2HG GLU 155 1HG GLU 155 131.178 11.590 3.816 576 H PHE 156 H PHE 156 132.236 8.082 0.839 577 HA PHE 156 HA PHE 156 133.851 8.502 -1.410 578 1HB PHE 156 2HB PHE 156 134.213 6.662 0.178 579 2HB PHE 156 1HB PHE 156 132.716 5.902 -0.353 580 HD1 PHE 156 HD1 PHE 156 132.801 4.285 -1.987 581 HD2 PHE 156 HD2 PHE 156 135.974 7.107 -1.702 582 HE1 PHE 156 HE1 PHE 156 134.036 3.065 -3.731 583 HE2 PHE 156 HE2 PHE 156 137.214 5.892 -3.447 584 HZ PHE 156 HZ PHE 156 136.243 3.870 -4.463 585 H MET 157 H MET 157 130.504 7.569 -1.109 586 HA MET 157 HA MET 157 130.260 6.794 -3.883 587 1HB MET 157 2HB MET 157 128.400 6.965 -1.547 588 2HB MET 157 1HB MET 157 127.728 6.901 -3.170 589 1HG MET 157 2HG MET 157 129.762 4.888 -2.347 590 2HG MET 157 1HG MET 157 128.096 4.720 -1.798 591 1HE MET 157 1HE MET 157 129.802 3.698 -5.847 592 2HE MET 157 2HE MET 157 130.536 3.615 -4.246 593 3HE MET 157 3HE MET 157 130.348 5.173 -5.052 594 H LYS 158 H LYS 158 129.819 9.648 -1.954 595 HA LYS 158 HA LYS 158 128.234 11.042 -3.911 596 1HB LYS 158 2HB LYS 158 129.395 11.659 -1.248 597 2HB LYS 158 1HB LYS 158 129.100 13.023 -2.317 598 1HG LYS 158 2HG LYS 158 126.750 12.277 -2.545 599 2HG LYS 158 1HG LYS 158 127.077 11.010 -1.360 600 1HD LYS 158 2HD LYS 158 127.470 12.584 0.358 601 2HD LYS 158 1HD LYS 158 127.569 13.922 -0.788 602 1HE LYS 158 2HE LYS 158 125.038 12.503 -0.955 603 2HE LYS 158 1HE LYS 158 125.338 13.149 0.656 604 1HZ LYS 158 1HZ LYS 158 125.805 15.319 -0.421 605 2HZ LYS 158 2HZ LYS 158 124.208 14.796 -0.610 606 3HZ LYS 158 3HZ LYS 158 125.298 14.662 -1.896 607 H GLY 159 H GLY 159 130.106 10.274 -5.481 608 1HA GLY 159 2HA GLY 159 131.285 11.543 -7.140 609 2HA GLY 159 1HA GLY 159 131.792 12.654 -5.878 610 H VAL 160 H VAL 160 132.127 9.249 -6.861 611 HA VAL 160 HA VAL 160 134.431 8.731 -5.324 612 HB VAL 160 HB VAL 160 133.668 7.375 -7.914 613 1HG1 VAL 160 1HG1 VAL 160 135.719 6.496 -7.445 614 2HG1 VAL 160 2HG1 VAL 160 134.720 5.429 -6.458 615 3HG1 VAL 160 3HG1 VAL 160 135.570 6.782 -5.711 616 1HG2 VAL 160 1HG2 VAL 160 132.008 6.252 -6.903 617 2HG2 VAL 160 2HG2 VAL 160 132.025 7.587 -5.752 618 3HG2 VAL 160 3HG2 VAL 160 132.898 6.099 -5.388 619 H GLU 161 H GLU 161 133.965 10.152 -8.481 620 HA GLU 161 HA GLU 161 136.827 10.110 -9.041 621 1HB GLU 161 2HB GLU 161 136.156 11.156 -11.205 622 2HB GLU 161 1HB GLU 161 135.408 9.592 -10.912 623 1HG GLU 161 2HG GLU 161 133.348 10.444 -10.925 624 2HG GLU 161 1HG GLU 161 133.816 11.836 -9.951 Start of MODEL 18 1 1H MET 81 1HT MET 81 92.342 16.525 -2.357 2 2H MET 81 2HT MET 81 93.303 16.504 -0.934 3 3H MET 81 3HT MET 81 91.656 16.981 -0.853 4 HA MET 81 HA MET 81 91.681 14.854 -0.042 5 1HB MET 81 2HB MET 81 90.896 15.051 -2.939 6 2HB MET 81 1HB MET 81 90.650 13.560 -2.040 7 1HG MET 81 2HG MET 81 88.940 14.400 -0.844 8 2HG MET 81 1HG MET 81 89.650 16.011 -0.753 9 1HE MET 81 1HE MET 81 87.003 14.032 -1.702 10 2HE MET 81 2HE MET 81 86.173 14.776 -3.069 11 3HE MET 81 3HE MET 81 86.255 15.618 -1.521 12 H VAL 82 H VAL 82 92.856 13.086 0.366 13 HA VAL 82 HA VAL 82 94.443 11.462 0.215 14 HB VAL 82 HB VAL 82 94.438 11.914 -2.768 15 1HG1 VAL 82 1HG1 VAL 82 96.129 10.429 -2.463 16 2HG1 VAL 82 2HG1 VAL 82 94.783 9.290 -2.471 17 3HG1 VAL 82 3HG1 VAL 82 95.475 9.826 -0.940 18 1HG2 VAL 82 1HG2 VAL 82 92.135 11.610 -1.857 19 2HG2 VAL 82 2HG2 VAL 82 92.646 10.046 -1.225 20 3HG2 VAL 82 3HG2 VAL 82 92.647 10.335 -2.964 21 H ARG 83 H ARG 83 95.198 14.224 0.571 22 HA ARG 83 HA ARG 83 97.917 14.140 -0.567 23 1HB ARG 83 2HB ARG 83 96.074 16.070 -1.103 24 2HB ARG 83 1HB ARG 83 96.889 16.768 0.289 25 1HG ARG 83 2HG ARG 83 99.052 16.142 -1.048 26 2HG ARG 83 1HG ARG 83 97.948 16.168 -2.425 27 1HD ARG 83 2HD ARG 83 97.885 18.447 -0.513 28 2HD ARG 83 1HD ARG 83 99.237 18.336 -1.638 29 HE ARG 83 HE ARG 83 97.799 18.778 -3.394 30 1HH1 ARG 83 1HH1 ARG 83 95.982 18.358 -0.439 31 2HH1 ARG 83 2HH1 ARG 83 94.519 18.998 -1.105 32 1HH2 ARG 83 1HH2 ARG 83 95.873 19.617 -4.265 33 2HH2 ARG 83 2HH2 ARG 83 94.454 19.710 -3.274 34 H CYS 84 H CYS 84 98.916 13.167 1.162 35 HA CYS 84 HA CYS 84 98.741 14.565 3.748 36 1HB CYS 84 2HB CYS 84 99.647 12.431 4.711 37 2HB CYS 84 1HB CYS 84 98.050 12.279 3.987 38 HG CYS 84 HG CYS 84 99.884 10.347 3.335 39 H MET 85 H MET 85 100.962 13.104 1.418 40 HA MET 85 HA MET 85 103.011 14.999 2.138 41 1HB MET 85 2HB MET 85 103.079 12.796 3.651 42 2HB MET 85 1HB MET 85 103.956 12.183 2.257 43 1HG MET 85 2HG MET 85 105.800 13.197 2.924 44 2HG MET 85 1HG MET 85 104.978 14.756 2.923 45 1HE MET 85 1HE MET 85 106.070 15.531 6.366 46 2HE MET 85 2HE MET 85 104.910 16.169 5.203 47 3HE MET 85 3HE MET 85 106.496 15.629 4.658 48 H LYS 86 H LYS 86 102.892 15.671 0.005 49 HA LYS 86 HA LYS 86 104.350 14.010 -1.874 50 1HB LYS 86 2HB LYS 86 101.466 14.721 -2.190 51 2HB LYS 86 1HB LYS 86 102.487 14.680 -3.622 52 1HG LYS 86 2HG LYS 86 103.098 12.361 -3.105 53 2HG LYS 86 1HG LYS 86 102.034 12.408 -1.698 54 1HD LYS 86 2HD LYS 86 100.378 13.264 -3.700 55 2HD LYS 86 1HD LYS 86 101.393 12.086 -4.537 56 1HE LYS 86 2HE LYS 86 100.402 11.250 -1.895 57 2HE LYS 86 1HE LYS 86 99.163 11.463 -3.130 58 1HZ LYS 86 1HZ LYS 86 100.184 9.871 -4.505 59 2HZ LYS 86 2HZ LYS 86 100.181 9.185 -2.959 60 3HZ LYS 86 3HZ LYS 86 101.604 9.849 -3.586 61 H ASP 87 H ASP 87 104.816 16.509 -0.462 62 HA ASP 87 HA ASP 87 104.674 18.542 -2.546 63 1HB ASP 87 2HB ASP 87 105.148 18.531 0.380 64 2HB ASP 87 1HB ASP 87 105.990 19.775 -0.539 65 H ASP 88 H ASP 88 107.249 17.428 -0.338 66 HA ASP 88 HA ASP 88 109.269 18.239 -2.248 67 1HB ASP 88 2HB ASP 88 110.866 17.503 -0.488 68 2HB ASP 88 1HB ASP 88 109.696 18.685 0.093 69 H SER 89 H SER 89 109.440 16.913 -3.961 70 HA SER 89 HA SER 89 109.306 14.027 -3.599 71 1HB SER 89 2HB SER 89 109.225 13.881 -5.996 72 2HB SER 89 1HB SER 89 108.149 15.192 -5.510 73 HG SER 89 HG SER 89 110.060 16.583 -5.914 74 H LYS 90 H LYS 90 111.158 13.278 -2.710 75 HA LYS 90 HA LYS 90 113.720 14.176 -3.810 76 1HB LYS 90 2HB LYS 90 114.722 13.024 -1.873 77 2HB LYS 90 1HB LYS 90 113.544 14.235 -1.389 78 1HG LYS 90 2HG LYS 90 112.081 11.881 -1.614 79 2HG LYS 90 1HG LYS 90 113.599 11.401 -0.856 80 1HD LYS 90 2HD LYS 90 112.063 13.789 0.113 81 2HD LYS 90 1HD LYS 90 111.663 12.160 0.660 82 1HE LYS 90 2HE LYS 90 114.291 12.089 1.073 83 2HE LYS 90 1HE LYS 90 114.049 13.829 1.224 84 1HZ LYS 90 1HZ LYS 90 112.172 12.151 2.675 85 2HZ LYS 90 2HZ LYS 90 112.918 13.595 3.141 86 3HZ LYS 90 3HZ LYS 90 113.766 12.135 3.246 87 H GLY 91 H GLY 91 115.251 12.741 -4.640 88 1HA GLY 91 2HA GLY 91 114.086 10.281 -5.721 89 2HA GLY 91 1HA GLY 91 115.551 11.070 -6.286 90 H LYS 92 H LYS 92 117.474 10.893 -4.953 91 HA LYS 92 HA LYS 92 117.723 8.234 -3.859 92 1HB LYS 92 2HB LYS 92 119.429 9.773 -5.259 93 2HB LYS 92 1HB LYS 92 119.971 10.153 -3.630 94 1HG LYS 92 2HG LYS 92 119.992 7.568 -3.330 95 2HG LYS 92 1HG LYS 92 120.046 7.557 -5.094 96 1HD LYS 92 2HD LYS 92 122.294 7.538 -4.510 97 2HD LYS 92 1HD LYS 92 121.982 9.250 -4.807 98 1HE LYS 92 2HE LYS 92 121.367 9.018 -2.158 99 2HE LYS 92 1HE LYS 92 122.688 7.863 -2.325 100 1HZ LYS 92 1HZ LYS 92 124.086 9.573 -3.209 101 2HZ LYS 92 2HZ LYS 92 123.427 10.129 -1.756 102 3HZ LYS 92 3HZ LYS 92 122.814 10.687 -3.230 103 H THR 93 H THR 93 117.113 7.842 -1.839 104 HA THR 93 HA THR 93 117.404 9.943 0.185 105 HB THR 93 HB THR 93 116.064 8.018 1.493 106 HG1 THR 93 HG1 THR 93 115.230 7.701 -1.194 107 1HG2 THR 93 1HG2 THR 93 114.566 9.684 -0.492 108 2HG2 THR 93 2HG2 THR 93 115.329 10.386 0.934 109 3HG2 THR 93 3HG2 THR 93 114.069 9.166 1.117 110 H GLU 94 H GLU 94 117.651 8.695 2.497 111 HA GLU 94 HA GLU 94 120.360 7.895 2.566 112 1HB GLU 94 2HB GLU 94 118.268 7.497 4.712 113 2HB GLU 94 1HB GLU 94 120.012 7.522 4.937 114 1HG GLU 94 2HG GLU 94 120.150 9.812 4.629 115 2HG GLU 94 1HG GLU 94 118.603 9.892 3.787 116 H GLU 95 H GLU 95 117.349 6.122 2.436 117 HA GLU 95 HA GLU 95 118.325 3.590 3.189 118 1HB GLU 95 2HB GLU 95 116.315 2.702 2.065 119 2HB GLU 95 1HB GLU 95 115.942 4.059 3.119 120 1HG GLU 95 2HG GLU 95 116.031 5.517 1.060 121 2HG GLU 95 1HG GLU 95 116.071 4.026 0.120 122 H GLU 96 H GLU 96 118.486 5.370 0.203 123 HA GLU 96 HA GLU 96 118.987 3.273 -1.585 124 1HB GLU 96 2HB GLU 96 119.844 6.164 -1.585 125 2HB GLU 96 1HB GLU 96 120.213 5.070 -2.911 126 1HG GLU 96 2HG GLU 96 117.484 5.879 -1.940 127 2HG GLU 96 1HG GLU 96 118.261 6.354 -3.449 128 H LEU 97 H LEU 97 121.292 5.345 0.174 129 HA LEU 97 HA LEU 97 123.554 3.799 -0.671 130 1HB LEU 97 2HB LEU 97 123.131 6.080 1.221 131 2HB LEU 97 1HB LEU 97 124.652 5.206 1.238 132 HG LEU 97 HG LEU 97 123.562 6.380 -1.304 133 1HD1 LEU 97 1HD1 LEU 97 125.614 7.868 0.221 134 2HD1 LEU 97 2HD1 LEU 97 123.948 7.986 0.789 135 3HD1 LEU 97 3HD1 LEU 97 124.353 8.457 -0.862 136 1HD2 LEU 97 1HD2 LEU 97 126.414 5.931 -0.476 137 2HD2 LEU 97 2HD2 LEU 97 125.765 6.182 -2.096 138 3HD2 LEU 97 3HD2 LEU 97 125.446 4.673 -1.242 139 H SER 98 H SER 98 121.507 3.930 2.178 140 HA SER 98 HA SER 98 123.091 2.399 3.913 141 1HB SER 98 2HB SER 98 120.867 3.741 4.322 142 2HB SER 98 1HB SER 98 120.103 2.189 3.979 143 HG SER 98 HG SER 98 120.482 2.308 6.172 144 H ASP 99 H ASP 99 120.916 1.493 1.328 145 HA ASP 99 HA ASP 99 120.903 -1.303 2.015 146 1HB ASP 99 2HB ASP 99 119.082 0.022 0.742 147 2HB ASP 99 1HB ASP 99 120.116 -0.189 -0.667 148 H LEU 100 H LEU 100 122.671 0.800 -0.164 149 HA LEU 100 HA LEU 100 123.916 -1.262 -1.673 150 1HB LEU 100 2HB LEU 100 124.365 1.664 -1.291 151 2HB LEU 100 1HB LEU 100 125.625 0.711 -2.052 152 HG LEU 100 HG LEU 100 122.900 0.364 -3.150 153 1HD1 LEU 100 1HD1 LEU 100 124.278 2.974 -3.038 154 2HD1 LEU 100 2HD1 LEU 100 122.563 2.597 -3.197 155 3HD1 LEU 100 3HD1 LEU 100 123.622 2.493 -4.602 156 1HD2 LEU 100 1HD2 LEU 100 125.239 1.006 -4.826 157 2HD2 LEU 100 2HD2 LEU 100 124.016 -0.252 -5.012 158 3HD2 LEU 100 3HD2 LEU 100 125.349 -0.479 -3.879 159 H PHE 101 H PHE 101 124.684 0.373 1.325 160 HA PHE 101 HA PHE 101 127.373 -0.552 1.502 161 1HB PHE 101 2HB PHE 101 126.641 1.422 2.736 162 2HB PHE 101 1HB PHE 101 125.492 0.451 3.650 163 HD1 PHE 101 HD1 PHE 101 126.151 -0.718 5.577 164 HD2 PHE 101 HD2 PHE 101 129.092 1.021 3.042 165 HE1 PHE 101 HE1 PHE 101 127.872 -1.155 7.281 166 HE2 PHE 101 HE2 PHE 101 130.819 0.586 4.740 167 HZ PHE 101 HZ PHE 101 130.210 -0.503 6.864 168 H ARG 102 H ARG 102 124.268 -1.869 2.374 169 HA ARG 102 HA ARG 102 125.067 -3.794 4.242 170 1HB ARG 102 2HB ARG 102 122.702 -3.110 3.644 171 2HB ARG 102 1HB ARG 102 122.846 -4.145 2.230 172 1HG ARG 102 2HG ARG 102 122.980 -6.090 3.532 173 2HG ARG 102 1HG ARG 102 123.317 -5.180 5.005 174 1HD ARG 102 2HD ARG 102 120.968 -4.119 4.501 175 2HD ARG 102 1HD ARG 102 120.735 -5.602 3.575 176 HE ARG 102 HE ARG 102 121.698 -6.309 6.095 177 1HH1 ARG 102 1HH1 ARG 102 118.852 -4.863 4.683 178 2HH1 ARG 102 2HH1 ARG 102 117.791 -5.441 5.924 179 1HH2 ARG 102 1HH2 ARG 102 120.304 -7.071 7.726 180 2HH2 ARG 102 2HH2 ARG 102 118.613 -6.695 7.651 181 H MET 103 H MET 103 124.610 -4.120 0.723 182 HA MET 103 HA MET 103 125.394 -6.786 0.499 183 1HB MET 103 2HB MET 103 125.979 -6.171 -1.882 184 2HB MET 103 1HB MET 103 124.345 -5.778 -1.373 185 1HG MET 103 2HG MET 103 124.943 -3.460 -1.093 186 2HG MET 103 1HG MET 103 126.629 -3.822 -1.464 187 1HE MET 103 1HE MET 103 123.003 -3.866 -4.140 188 2HE MET 103 2HE MET 103 123.203 -4.653 -2.573 189 3HE MET 103 3HE MET 103 123.683 -5.490 -4.049 190 H PHE 104 H PHE 104 127.333 -3.831 0.356 191 HA PHE 104 HA PHE 104 129.788 -4.983 -0.313 192 1HB PHE 104 2HB PHE 104 128.878 -2.441 0.866 193 2HB PHE 104 1HB PHE 104 130.525 -2.894 1.288 194 HD1 PHE 104 HD1 PHE 104 132.046 -3.603 -0.705 195 HD2 PHE 104 HD2 PHE 104 128.478 -1.319 -1.105 196 HE1 PHE 104 HE1 PHE 104 132.834 -2.759 -2.878 197 HE2 PHE 104 HE2 PHE 104 129.259 -0.472 -3.278 198 HZ PHE 104 HZ PHE 104 131.439 -1.193 -4.168 199 H ASP 105 H ASP 105 128.105 -4.787 2.743 200 HA ASP 105 HA ASP 105 130.369 -5.632 4.308 201 1HB ASP 105 2HB ASP 105 127.874 -4.464 4.852 202 2HB ASP 105 1HB ASP 105 127.825 -6.048 5.621 203 H LYS 106 H LYS 106 129.925 -7.582 5.855 204 HA LYS 106 HA LYS 106 129.058 -9.843 4.176 205 1HB LYS 106 2HB LYS 106 131.547 -9.572 4.867 206 2HB LYS 106 1HB LYS 106 131.001 -10.113 6.448 207 1HG LYS 106 2HG LYS 106 131.837 -11.997 5.245 208 2HG LYS 106 1HG LYS 106 130.084 -12.154 5.378 209 1HD LYS 106 2HD LYS 106 130.384 -10.779 3.021 210 2HD LYS 106 1HD LYS 106 131.772 -11.870 3.009 211 1HE LYS 106 2HE LYS 106 130.172 -13.737 3.542 212 2HE LYS 106 1HE LYS 106 128.859 -12.595 3.255 213 1HZ LYS 106 1HZ LYS 106 130.869 -12.787 1.164 214 2HZ LYS 106 2HZ LYS 106 129.190 -12.636 1.040 215 3HZ LYS 106 3HZ LYS 106 129.882 -14.146 1.363 216 H ASN 107 H ASN 107 129.318 -8.729 7.544 217 HA ASN 107 HA ASN 107 127.067 -10.505 8.214 218 1HB ASN 107 2HB ASN 107 127.906 -10.266 10.592 219 2HB ASN 107 1HB ASN 107 128.959 -11.162 9.501 220 1HD2 ASN 107 1HD2 ASN 107 129.161 -9.242 11.973 221 2HD2 ASN 107 2HD2 ASN 107 130.537 -8.277 11.569 222 H ALA 108 H ALA 108 127.407 -7.498 7.297 223 HA ALA 108 HA ALA 108 126.357 -5.512 7.669 224 1HB ALA 108 1HB ALA 108 124.249 -7.012 9.180 225 2HB ALA 108 2HB ALA 108 124.445 -7.221 7.440 226 3HB ALA 108 3HB ALA 108 124.074 -5.629 8.099 227 H ASP 109 H ASP 109 128.341 -5.515 9.311 228 HA ASP 109 HA ASP 109 127.394 -5.177 12.056 229 1HB ASP 109 2HB ASP 109 129.800 -5.010 12.625 230 2HB ASP 109 1HB ASP 109 129.409 -6.506 11.783 231 H GLY 110 H GLY 110 128.547 -3.353 9.322 232 1HA GLY 110 2HA GLY 110 127.691 -1.009 9.325 233 2HA GLY 110 1HA GLY 110 128.358 -0.891 10.946 234 H TYR 111 H TYR 111 130.654 -2.652 9.766 235 HA TYR 111 HA TYR 111 132.030 -0.524 8.285 236 1HB TYR 111 2HB TYR 111 133.390 -2.111 10.460 237 2HB TYR 111 1HB TYR 111 133.987 -0.680 9.628 238 HD1 TYR 111 HD1 TYR 111 131.432 -1.870 12.037 239 HD2 TYR 111 HD2 TYR 111 133.516 1.481 10.449 240 HE1 TYR 111 HE1 TYR 111 130.507 -0.457 13.822 241 HE2 TYR 111 HE2 TYR 111 132.596 2.905 12.230 242 HH TYR 111 HH TYR 111 130.188 2.545 13.816 243 H ILE 112 H ILE 112 133.810 -1.244 6.988 244 HA ILE 112 HA ILE 112 133.848 -4.144 6.479 245 HB ILE 112 HB ILE 112 133.953 -2.037 4.318 246 1HG1 ILE 112 2HG1 ILE 112 131.669 -3.932 4.560 247 2HG1 ILE 112 1HG1 ILE 112 131.711 -2.567 5.671 248 1HG2 ILE 112 1HG2 ILE 112 135.158 -4.114 3.820 249 2HG2 ILE 112 2HG2 ILE 112 133.741 -3.914 2.790 250 3HG2 ILE 112 3HG2 ILE 112 133.692 -5.037 4.149 251 1HD1 ILE 112 1HD1 ILE 112 131.854 -2.335 2.676 252 2HD1 ILE 112 2HD1 ILE 112 131.723 -1.016 3.841 253 3HD1 ILE 112 3HD1 ILE 112 130.386 -2.147 3.636 254 H ASP 113 H ASP 113 135.815 -5.032 5.975 255 HA ASP 113 HA ASP 113 138.118 -3.224 5.760 256 1HB ASP 113 2HB ASP 113 139.402 -4.658 7.302 257 2HB ASP 113 1HB ASP 113 138.009 -3.931 8.095 258 H LEU 114 H LEU 114 140.163 -4.874 5.471 259 HA LEU 114 HA LEU 114 139.930 -5.861 2.868 260 1HB LEU 114 2HB LEU 114 141.954 -5.960 5.012 261 2HB LEU 114 1HB LEU 114 142.074 -7.232 3.812 262 HG LEU 114 HG LEU 114 141.848 -5.107 2.176 263 1HD1 LEU 114 1HD1 LEU 114 141.783 -3.626 4.237 264 2HD1 LEU 114 2HD1 LEU 114 142.955 -3.200 2.989 265 3HD1 LEU 114 3HD1 LEU 114 143.486 -4.031 4.451 266 1HD2 LEU 114 1HD2 LEU 114 143.950 -5.643 1.571 267 2HD2 LEU 114 2HD2 LEU 114 143.732 -6.961 2.724 268 3HD2 LEU 114 3HD2 LEU 114 144.575 -5.491 3.212 269 H GLU 115 H GLU 115 139.417 -7.403 5.959 270 HA GLU 115 HA GLU 115 139.438 -10.084 5.007 271 1HB GLU 115 2HB GLU 115 138.601 -8.710 7.514 272 2HB GLU 115 1HB GLU 115 137.981 -10.329 7.219 273 1HG GLU 115 2HG GLU 115 140.469 -10.917 6.772 274 2HG GLU 115 1HG GLU 115 140.788 -9.433 7.669 275 H GLU 116 H GLU 116 136.763 -7.913 5.930 276 HA GLU 116 HA GLU 116 134.751 -9.678 4.955 277 1HB GLU 116 2HB GLU 116 134.767 -6.817 5.868 278 2HB GLU 116 1HB GLU 116 133.323 -7.526 5.158 279 1HG GLU 116 2HG GLU 116 132.908 -8.835 6.955 280 2HG GLU 116 1HG GLU 116 134.617 -9.044 7.337 281 H LEU 117 H LEU 117 136.697 -7.198 3.519 282 HA LEU 117 HA LEU 117 134.984 -6.774 1.251 283 1HB LEU 117 2HB LEU 117 136.603 -5.088 2.183 284 2HB LEU 117 1HB LEU 117 137.901 -6.067 1.528 285 HG LEU 117 HG LEU 117 137.058 -5.707 -0.739 286 1HD1 LEU 117 1HD1 LEU 117 135.278 -3.902 -0.994 287 2HD1 LEU 117 2HD1 LEU 117 134.887 -4.212 0.698 288 3HD1 LEU 117 3HD1 LEU 117 134.736 -5.504 -0.492 289 1HD2 LEU 117 1HD2 LEU 117 137.194 -3.015 0.574 290 2HD2 LEU 117 2HD2 LEU 117 137.835 -3.524 -0.988 291 3HD2 LEU 117 3HD2 LEU 117 138.604 -4.073 0.501 292 H LYS 118 H LYS 118 137.780 -8.770 1.994 293 HA LYS 118 HA LYS 118 138.331 -9.578 -0.664 294 1HB LYS 118 2HB LYS 118 139.712 -11.307 0.325 295 2HB LYS 118 1HB LYS 118 139.954 -9.791 1.182 296 1HG LYS 118 2HG LYS 118 139.085 -10.579 3.108 297 2HG LYS 118 1HG LYS 118 137.901 -11.597 2.287 298 1HD LYS 118 2HD LYS 118 139.341 -13.361 2.100 299 2HD LYS 118 1HD LYS 118 140.768 -12.324 2.025 300 1HE LYS 118 2HE LYS 118 140.977 -12.218 4.288 301 2HE LYS 118 1HE LYS 118 139.240 -12.339 4.563 302 1HZ LYS 118 1HZ LYS 118 139.988 -14.364 5.304 303 2HZ LYS 118 2HZ LYS 118 141.204 -14.485 4.134 304 3HZ LYS 118 3HZ LYS 118 139.588 -14.743 3.703 305 H ILE 119 H ILE 119 136.040 -10.655 1.727 306 HA ILE 119 HA ILE 119 135.468 -13.171 0.489 307 HB ILE 119 HB ILE 119 133.715 -11.615 2.392 308 1HG1 ILE 119 2HG1 ILE 119 135.582 -13.821 3.209 309 2HG1 ILE 119 1HG1 ILE 119 136.166 -12.164 3.093 310 1HG2 ILE 119 1HG2 ILE 119 132.633 -13.668 2.856 311 2HG2 ILE 119 2HG2 ILE 119 133.846 -14.590 1.971 312 3HG2 ILE 119 3HG2 ILE 119 132.725 -13.545 1.100 313 1HD1 ILE 119 1HD1 ILE 119 135.589 -12.425 5.329 314 2HD1 ILE 119 2HD1 ILE 119 134.109 -13.303 4.944 315 3HD1 ILE 119 3HD1 ILE 119 134.214 -11.571 4.632 316 H MET 120 H MET 120 134.261 -9.907 0.179 317 HA MET 120 HA MET 120 131.850 -10.479 -1.163 318 1HB MET 120 2HB MET 120 132.857 -8.236 -0.161 319 2HB MET 120 1HB MET 120 133.380 -8.005 -1.824 320 1HG MET 120 2HG MET 120 130.870 -8.594 -2.341 321 2HG MET 120 1HG MET 120 130.640 -8.045 -0.683 322 1HE MET 120 1HE MET 120 132.233 -5.595 -4.203 323 2HE MET 120 2HE MET 120 132.341 -7.340 -3.968 324 3HE MET 120 3HE MET 120 133.459 -6.266 -3.126 325 H LEU 121 H LEU 121 135.008 -9.465 -2.475 326 HA LEU 121 HA LEU 121 134.289 -9.792 -5.180 327 1HB LEU 121 2HB LEU 121 136.814 -9.428 -3.670 328 2HB LEU 121 1HB LEU 121 136.953 -10.088 -5.289 329 HG LEU 121 HG LEU 121 135.677 -8.105 -6.134 330 1HD1 LEU 121 1HD1 LEU 121 136.271 -6.757 -3.539 331 2HD1 LEU 121 2HD1 LEU 121 134.776 -7.673 -3.731 332 3HD1 LEU 121 3HD1 LEU 121 135.122 -6.313 -4.799 333 1HD2 LEU 121 1HD2 LEU 121 137.679 -6.491 -5.407 334 2HD2 LEU 121 2HD2 LEU 121 137.872 -7.784 -6.590 335 3HD2 LEU 121 3HD2 LEU 121 138.372 -8.038 -4.918 336 H GLN 122 H GLN 122 135.399 -12.029 -2.760 337 HA GLN 122 HA GLN 122 136.403 -14.082 -4.350 338 1HB GLN 122 2HB GLN 122 135.300 -13.849 -1.626 339 2HB GLN 122 1HB GLN 122 135.210 -15.459 -2.328 340 1HG GLN 122 2HG GLN 122 137.685 -15.172 -2.869 341 2HG GLN 122 1HG GLN 122 137.639 -13.801 -1.764 342 1HE2 GLN 122 1HE2 GLN 122 138.424 -16.935 -1.959 343 2HE2 GLN 122 2HE2 GLN 122 138.184 -17.422 -0.318 344 H ALA 123 H ALA 123 133.112 -13.117 -3.711 345 HA ALA 123 HA ALA 123 131.825 -15.476 -4.583 346 1HB ALA 123 1HB ALA 123 130.426 -12.921 -5.029 347 2HB ALA 123 2HB ALA 123 130.977 -13.220 -3.380 348 3HB ALA 123 3HB ALA 123 129.902 -14.372 -4.172 349 H THR 124 H THR 124 132.753 -12.496 -6.264 350 HA THR 124 HA THR 124 131.572 -13.072 -8.738 351 HB THR 124 HB THR 124 132.938 -11.342 -9.643 352 HG1 THR 124 HG1 THR 124 134.657 -11.895 -7.468 353 1HG2 THR 124 1HG2 THR 124 131.748 -10.960 -7.056 354 2HG2 THR 124 2HG2 THR 124 131.809 -9.871 -8.442 355 3HG2 THR 124 3HG2 THR 124 133.135 -9.895 -7.278 356 H GLY 125 H GLY 125 132.949 -13.381 -10.789 357 1HA GLY 125 2HA GLY 125 134.526 -15.817 -10.374 358 2HA GLY 125 1HA GLY 125 133.806 -15.301 -11.891 359 H GLU 126 H GLU 126 135.616 -13.092 -9.893 360 HA GLU 126 HA GLU 126 137.696 -13.018 -11.971 361 1HB GLU 126 2HB GLU 126 136.779 -10.920 -10.000 362 2HB GLU 126 1HB GLU 126 138.193 -10.736 -11.029 363 1HG GLU 126 2HG GLU 126 136.667 -11.091 -12.998 364 2HG GLU 126 1HG GLU 126 135.318 -10.964 -11.871 365 H THR 127 H THR 127 139.838 -13.189 -11.453 366 HA THR 127 HA THR 127 140.419 -14.237 -8.790 367 HB THR 127 HB THR 127 142.595 -14.906 -9.804 368 HG1 THR 127 HG1 THR 127 142.820 -14.673 -12.047 369 1HG2 THR 127 1HG2 THR 127 141.824 -16.751 -10.932 370 2HG2 THR 127 2HG2 THR 127 140.490 -15.870 -11.678 371 3HG2 THR 127 3HG2 THR 127 140.417 -16.299 -9.969 372 H ILE 128 H ILE 128 140.380 -12.274 -7.625 373 HA ILE 128 HA ILE 128 142.441 -10.303 -8.308 374 HB ILE 128 HB ILE 128 140.334 -10.069 -6.163 375 1HG1 ILE 128 2HG1 ILE 128 139.489 -8.394 -8.116 376 2HG1 ILE 128 1HG1 ILE 128 140.189 -9.680 -9.095 377 1HG2 ILE 128 1HG2 ILE 128 141.896 -8.462 -5.666 378 2HG2 ILE 128 2HG2 ILE 128 140.843 -7.570 -6.762 379 3HG2 ILE 128 3HG2 ILE 128 142.364 -8.240 -7.351 380 1HD1 ILE 128 1HD1 ILE 128 138.418 -10.961 -8.764 381 2HD1 ILE 128 2HD1 ILE 128 137.651 -9.601 -7.943 382 3HD1 ILE 128 3HD1 ILE 128 138.559 -10.793 -7.014 383 H THR 129 H THR 129 143.910 -9.540 -6.704 384 HA THR 129 HA THR 129 144.532 -11.577 -4.676 385 HB THR 129 HB THR 129 146.828 -10.535 -4.712 386 HG1 THR 129 HG1 THR 129 145.873 -9.268 -7.059 387 1HG2 THR 129 1HG2 THR 129 145.641 -12.202 -6.724 388 2HG2 THR 129 2HG2 THR 129 147.264 -12.248 -6.035 389 3HG2 THR 129 3HG2 THR 129 146.921 -11.202 -7.414 390 H GLU 130 H GLU 130 145.669 -10.684 -2.702 391 HA GLU 130 HA GLU 130 143.961 -8.941 -1.334 392 1HB GLU 130 2HB GLU 130 145.775 -8.891 0.398 393 2HB GLU 130 1HB GLU 130 145.271 -10.503 -0.087 394 1HG GLU 130 2HG GLU 130 147.444 -10.920 -0.304 395 2HG GLU 130 1HG GLU 130 147.326 -10.012 -1.812 396 H ASP 131 H ASP 131 146.847 -8.347 -3.206 397 HA ASP 131 HA ASP 131 147.492 -5.785 -2.279 398 1HB ASP 131 2HB ASP 131 148.763 -7.360 -3.917 399 2HB ASP 131 1HB ASP 131 147.816 -6.553 -5.163 400 H ASP 132 H ASP 132 145.132 -6.875 -4.641 401 HA ASP 132 HA ASP 132 144.478 -4.242 -5.564 402 1HB ASP 132 2HB ASP 132 143.503 -6.997 -6.056 403 2HB ASP 132 1HB ASP 132 142.341 -5.702 -6.323 404 H ILE 133 H ILE 133 143.358 -6.363 -3.035 405 HA ILE 133 HA ILE 133 140.877 -5.109 -2.522 406 HB ILE 133 HB ILE 133 142.601 -6.560 -0.515 407 1HG1 ILE 133 2HG1 ILE 133 142.348 -7.977 -2.463 408 2HG1 ILE 133 1HG1 ILE 133 141.307 -8.581 -1.177 409 1HG2 ILE 133 1HG2 ILE 133 139.662 -6.754 -0.463 410 2HG2 ILE 133 2HG2 ILE 133 140.340 -5.181 -0.044 411 3HG2 ILE 133 3HG2 ILE 133 140.816 -6.616 0.863 412 1HD1 ILE 133 1HD1 ILE 133 139.751 -6.784 -2.662 413 2HD1 ILE 133 2HD1 ILE 133 139.621 -8.542 -2.600 414 3HD1 ILE 133 3HD1 ILE 133 140.625 -7.774 -3.829 415 H GLU 134 H GLU 134 144.158 -4.417 -1.527 416 HA GLU 134 HA GLU 134 143.525 -2.640 0.591 417 1HB GLU 134 2HB GLU 134 145.995 -2.905 -1.128 418 2HB GLU 134 1HB GLU 134 145.884 -1.836 0.264 419 1HG GLU 134 2HG GLU 134 145.686 -3.638 1.764 420 2HG GLU 134 1HG GLU 134 145.377 -4.786 0.462 421 H GLU 135 H GLU 135 143.792 -2.271 -2.870 422 HA GLU 135 HA GLU 135 144.054 0.513 -3.021 423 1HB GLU 135 2HB GLU 135 142.884 -1.536 -4.885 424 2HB GLU 135 1HB GLU 135 142.881 0.174 -5.290 425 1HG GLU 135 2HG GLU 135 145.476 -0.872 -4.420 426 2HG GLU 135 1HG GLU 135 144.858 -1.567 -5.918 427 H LEU 136 H LEU 136 141.177 -1.541 -2.844 428 HA LEU 136 HA LEU 136 139.249 0.453 -3.208 429 1HB LEU 136 2HB LEU 136 139.320 -2.295 -2.209 430 2HB LEU 136 1HB LEU 136 138.059 -1.325 -1.471 431 HG LEU 136 HG LEU 136 137.639 -0.705 -4.059 432 1HD1 LEU 136 1HD1 LEU 136 138.086 -2.413 -5.539 433 2HD1 LEU 136 2HD1 LEU 136 138.289 -3.611 -4.262 434 3HD1 LEU 136 3HD1 LEU 136 139.544 -2.405 -4.548 435 1HD2 LEU 136 1HD2 LEU 136 135.897 -1.439 -2.614 436 2HD2 LEU 136 2HD2 LEU 136 136.595 -3.054 -2.489 437 3HD2 LEU 136 3HD2 LEU 136 135.897 -2.509 -4.015 438 H MET 137 H MET 137 140.854 -0.703 -0.274 439 HA MET 137 HA MET 137 139.342 0.872 1.533 440 1HB MET 137 2HB MET 137 141.090 -1.164 1.833 441 2HB MET 137 1HB MET 137 142.129 0.188 2.259 442 1HG MET 137 2HG MET 137 141.300 0.017 4.305 443 2HG MET 137 1HG MET 137 139.812 0.701 3.657 444 1HE MET 137 1HE MET 137 137.900 -0.172 3.292 445 2HE MET 137 2HE MET 137 137.264 -1.519 4.237 446 3HE MET 137 3HE MET 137 137.739 -1.767 2.556 447 H LYS 138 H LYS 138 142.169 1.489 -0.415 448 HA LYS 138 HA LYS 138 143.184 3.735 0.908 449 1HB LYS 138 2HB LYS 138 144.203 2.409 -1.034 450 2HB LYS 138 1HB LYS 138 143.205 3.402 -2.086 451 1HG LYS 138 2HG LYS 138 144.481 5.242 -1.788 452 2HG LYS 138 1HG LYS 138 144.861 4.841 -0.112 453 1HD LYS 138 2HD LYS 138 146.360 3.032 -0.972 454 2HD LYS 138 1HD LYS 138 146.080 3.652 -2.601 455 1HE LYS 138 2HE LYS 138 147.072 5.759 -2.035 456 2HE LYS 138 1HE LYS 138 147.178 5.306 -0.335 457 1HZ LYS 138 1HZ LYS 138 148.609 3.372 -1.269 458 2HZ LYS 138 2HZ LYS 138 149.299 4.903 -1.067 459 3HZ LYS 138 3HZ LYS 138 148.808 4.394 -2.604 460 H ASP 139 H ASP 139 141.049 3.660 -1.955 461 HA ASP 139 HA ASP 139 140.407 6.458 -1.597 462 1HB ASP 139 2HB ASP 139 139.266 6.316 -3.686 463 2HB ASP 139 1HB ASP 139 140.743 5.372 -3.852 464 H GLY 140 H GLY 140 139.038 3.388 -0.787 465 1HA GLY 140 2HA GLY 140 136.327 4.168 -0.547 466 2HA GLY 140 1HA GLY 140 137.075 2.789 0.245 467 H ASP 141 H ASP 141 139.083 4.571 1.544 468 HA ASP 141 HA ASP 141 137.365 5.418 3.756 469 1HB ASP 141 2HB ASP 141 139.512 3.878 3.901 470 2HB ASP 141 1HB ASP 141 140.347 5.428 3.943 471 H LYS 142 H LYS 142 137.268 7.485 4.498 472 HA LYS 142 HA LYS 142 138.676 9.514 2.894 473 1HB LYS 142 2HB LYS 142 136.124 9.845 4.479 474 2HB LYS 142 1HB LYS 142 136.858 11.035 3.413 475 1HG LYS 142 2HG LYS 142 136.072 8.367 2.333 476 2HG LYS 142 1HG LYS 142 134.849 9.613 2.590 477 1HD LYS 142 2HD LYS 142 137.369 10.038 0.993 478 2HD LYS 142 1HD LYS 142 135.827 9.558 0.283 479 1HE LYS 142 2HE LYS 142 134.980 11.628 0.440 480 2HE LYS 142 1HE LYS 142 135.638 11.873 2.057 481 1HZ LYS 142 1HZ LYS 142 136.832 13.389 0.859 482 2HZ LYS 142 2HZ LYS 142 136.852 12.452 -0.551 483 3HZ LYS 142 3HZ LYS 142 137.867 12.055 0.743 484 H ASN 143 H ASN 143 137.692 8.622 6.167 485 HA ASN 143 HA ASN 143 139.209 10.801 7.332 486 1HB ASN 143 2HB ASN 143 138.435 9.811 9.499 487 2HB ASN 143 1HB ASN 143 137.128 10.258 8.408 488 1HD2 ASN 143 1HD2 ASN 143 137.245 8.314 10.615 489 2HD2 ASN 143 2HD2 ASN 143 136.747 6.808 9.930 490 H ASN 144 H ASN 144 139.792 7.594 6.361 491 HA ASN 144 HA ASN 144 141.636 6.271 6.481 492 1HB ASN 144 2HB ASN 144 142.674 8.785 6.575 493 2HB ASN 144 1HB ASN 144 143.271 8.126 8.094 494 1HD2 ASN 144 1HD2 ASN 144 144.788 6.515 8.073 495 2HD2 ASN 144 2HD2 ASN 144 145.610 6.011 6.640 496 H ASP 145 H ASP 145 139.774 5.620 8.219 497 HA ASP 145 HA ASP 145 140.958 5.457 10.887 498 1HB ASP 145 2HB ASP 145 138.771 4.585 11.587 499 2HB ASP 145 1HB ASP 145 138.601 6.117 10.736 500 H GLY 146 H GLY 146 140.480 3.551 8.057 501 1HA GLY 146 2HA GLY 146 141.983 1.572 7.973 502 2HA GLY 146 1HA GLY 146 141.341 1.151 9.554 503 H ARG 147 H ARG 147 138.610 2.016 8.712 504 HA ARG 147 HA ARG 147 137.973 -0.113 6.791 505 1HB ARG 147 2HB ARG 147 136.435 0.366 9.348 506 2HB ARG 147 1HB ARG 147 136.128 -0.886 8.153 507 1HG ARG 147 2HG ARG 147 138.440 -1.767 8.671 508 2HG ARG 147 1HG ARG 147 138.445 -0.665 10.050 509 1HD ARG 147 2HD ARG 147 135.983 -2.054 10.095 510 2HD ARG 147 1HD ARG 147 137.248 -3.250 9.812 511 HE ARG 147 HE ARG 147 138.015 -2.904 11.945 512 1HH1 ARG 147 1HH1 ARG 147 135.797 -0.344 11.102 513 2HH1 ARG 147 2HH1 ARG 147 135.738 0.303 12.706 514 1HH2 ARG 147 1HH2 ARG 147 137.937 -2.055 14.056 515 2HH2 ARG 147 2HH2 ARG 147 136.952 -0.668 14.384 516 H ILE 148 H ILE 148 135.519 0.053 6.222 517 HA ILE 148 HA ILE 148 134.886 2.907 5.824 518 HB ILE 148 HB ILE 148 134.127 0.650 3.969 519 1HG1 ILE 148 2HG1 ILE 148 136.269 2.730 3.517 520 2HG1 ILE 148 1HG1 ILE 148 136.615 1.115 4.126 521 1HG2 ILE 148 1HG2 ILE 148 134.116 3.601 3.404 522 2HG2 ILE 148 2HG2 ILE 148 132.717 2.757 4.070 523 3HG2 ILE 148 3HG2 ILE 148 133.349 2.304 2.487 524 1HD1 ILE 148 1HD1 ILE 148 137.022 0.918 1.865 525 2HD1 ILE 148 2HD1 ILE 148 135.661 1.951 1.425 526 3HD1 ILE 148 3HD1 ILE 148 135.373 0.313 2.011 527 H ASP 149 H ASP 149 132.913 3.609 6.394 528 HA ASP 149 HA ASP 149 130.832 1.630 7.000 529 1HB ASP 149 2HB ASP 149 130.252 2.816 9.064 530 2HB ASP 149 1HB ASP 149 131.918 2.253 9.119 531 H TYR 150 H TYR 150 128.863 3.360 7.875 532 HA TYR 150 HA TYR 150 127.709 4.251 5.533 533 1HB TYR 150 2HB TYR 150 126.712 3.920 7.923 534 2HB TYR 150 1HB TYR 150 127.098 5.627 8.128 535 HD1 TYR 150 HD1 TYR 150 125.124 6.829 8.049 536 HD2 TYR 150 HD2 TYR 150 125.741 3.714 5.219 537 HE1 TYR 150 HE1 TYR 150 123.023 7.440 6.927 538 HE2 TYR 150 HE2 TYR 150 123.640 4.316 4.088 539 HH TYR 150 HH TYR 150 121.285 5.992 5.357 540 H ASP 151 H ASP 151 129.476 6.190 7.941 541 HA ASP 151 HA ASP 151 129.166 8.678 6.728 542 1HB ASP 151 2HB ASP 151 131.056 7.500 8.684 543 2HB ASP 151 1HB ASP 151 131.590 8.969 7.871 544 H GLU 152 H GLU 152 131.755 6.280 6.301 545 HA GLU 152 HA GLU 152 133.183 7.831 4.388 546 1HB GLU 152 2HB GLU 152 133.283 4.865 4.959 547 2HB GLU 152 1HB GLU 152 134.432 5.738 3.956 548 1HG GLU 152 2HG GLU 152 135.560 5.638 5.940 549 2HG GLU 152 1HG GLU 152 134.754 7.198 6.089 550 H PHE 153 H PHE 153 130.916 5.113 4.129 551 HA PHE 153 HA PHE 153 131.039 4.793 1.351 552 1HB PHE 153 2HB PHE 153 129.858 3.380 3.246 553 2HB PHE 153 1HB PHE 153 128.460 4.350 2.797 554 HD1 PHE 153 HD1 PHE 153 127.169 3.778 0.947 555 HD2 PHE 153 HD2 PHE 153 131.044 2.080 1.403 556 HE1 PHE 153 HE1 PHE 153 126.722 2.263 -0.938 557 HE2 PHE 153 HE2 PHE 153 130.606 0.562 -0.481 558 HZ PHE 153 HZ PHE 153 128.442 0.652 -1.656 559 H LEU 154 H LEU 154 129.293 7.069 3.342 560 HA LEU 154 HA LEU 154 127.467 7.962 1.368 561 1HB LEU 154 2HB LEU 154 128.152 8.620 4.080 562 2HB LEU 154 1HB LEU 154 128.003 10.092 3.141 563 HG LEU 154 HG LEU 154 125.901 9.450 4.264 564 1HD1 LEU 154 1HD1 LEU 154 125.511 10.807 2.435 565 2HD1 LEU 154 2HD1 LEU 154 124.507 9.403 2.080 566 3HD1 LEU 154 3HD1 LEU 154 126.069 9.594 1.283 567 1HD2 LEU 154 1HD2 LEU 154 124.679 7.499 3.068 568 2HD2 LEU 154 2HD2 LEU 154 125.839 7.140 4.346 569 3HD2 LEU 154 3HD2 LEU 154 126.308 6.963 2.655 570 H GLU 155 H GLU 155 130.665 9.089 2.388 571 HA GLU 155 HA GLU 155 130.669 11.259 0.489 572 1HB GLU 155 2HB GLU 155 132.644 10.165 2.463 573 2HB GLU 155 1HB GLU 155 133.174 11.298 1.227 574 1HG GLU 155 2HG GLU 155 131.181 12.736 2.090 575 2HG GLU 155 1HG GLU 155 131.334 11.729 3.530 576 H PHE 156 H PHE 156 132.133 8.056 0.752 577 HA PHE 156 HA PHE 156 133.834 8.195 -1.462 578 1HB PHE 156 2HB PHE 156 133.783 6.384 0.294 579 2HB PHE 156 1HB PHE 156 132.373 5.723 -0.524 580 HD1 PHE 156 HD1 PHE 156 132.981 3.752 -1.537 581 HD2 PHE 156 HD2 PHE 156 135.580 7.111 -1.823 582 HE1 PHE 156 HE1 PHE 156 134.453 2.480 -3.043 583 HE2 PHE 156 HE2 PHE 156 137.056 5.844 -3.332 584 HZ PHE 156 HZ PHE 156 136.492 3.526 -3.945 585 H MET 157 H MET 157 130.489 6.999 -1.249 586 HA MET 157 HA MET 157 130.206 6.332 -3.958 587 1HB MET 157 2HB MET 157 128.372 6.819 -1.680 588 2HB MET 157 1HB MET 157 127.669 6.955 -3.286 589 1HG MET 157 2HG MET 157 129.332 4.575 -2.850 590 2HG MET 157 1HG MET 157 127.860 4.656 -1.883 591 1HE MET 157 1HE MET 157 127.587 2.339 -5.272 592 2HE MET 157 2HE MET 157 127.403 2.177 -3.524 593 3HE MET 157 3HE MET 157 128.953 2.671 -4.208 594 H LYS 158 H LYS 158 129.312 9.301 -2.214 595 HA LYS 158 HA LYS 158 128.437 10.656 -4.570 596 1HB LYS 158 2HB LYS 158 128.024 11.065 -1.934 597 2HB LYS 158 1HB LYS 158 129.288 12.252 -2.223 598 1HG LYS 158 2HG LYS 158 127.125 12.260 -4.203 599 2HG LYS 158 1HG LYS 158 126.638 12.698 -2.564 600 1HD LYS 158 2HD LYS 158 129.077 14.032 -3.116 601 2HD LYS 158 1HD LYS 158 128.018 14.270 -4.506 602 1HE LYS 158 2HE LYS 158 127.168 15.959 -3.296 603 2HE LYS 158 1HE LYS 158 126.294 14.684 -2.447 604 1HZ LYS 158 1HZ LYS 158 128.509 16.324 -1.547 605 2HZ LYS 158 2HZ LYS 158 128.600 14.693 -1.111 606 3HZ LYS 158 3HZ LYS 158 127.256 15.615 -0.659 607 H GLY 159 H GLY 159 130.443 10.069 -5.792 608 1HA GLY 159 2HA GLY 159 132.039 11.387 -7.007 609 2HA GLY 159 1HA GLY 159 132.384 12.265 -5.524 610 H VAL 160 H VAL 160 132.958 9.341 -7.338 611 HA VAL 160 HA VAL 160 134.903 8.413 -5.360 612 HB VAL 160 HB VAL 160 134.138 7.015 -7.920 613 1HG1 VAL 160 1HG1 VAL 160 136.011 5.938 -7.164 614 2HG1 VAL 160 2HG1 VAL 160 134.762 5.042 -6.300 615 3HG1 VAL 160 3HG1 VAL 160 135.674 6.304 -5.471 616 1HG2 VAL 160 1HG2 VAL 160 132.169 7.530 -6.404 617 2HG2 VAL 160 2HG2 VAL 160 132.926 6.460 -5.223 618 3HG2 VAL 160 3HG2 VAL 160 132.435 5.830 -6.795 619 H GLU 161 H GLU 161 135.491 10.795 -6.822 620 HA GLU 161 HA GLU 161 137.196 10.295 -9.025 621 1HB GLU 161 2HB GLU 161 136.930 12.624 -7.130 622 2HB GLU 161 1HB GLU 161 138.093 12.617 -8.448 623 1HG GLU 161 2HG GLU 161 136.422 12.617 -10.079 624 2HG GLU 161 1HG GLU 161 135.178 12.121 -8.931 Start of MODEL 19 1 1H MET 81 1HT MET 81 93.521 9.950 2.747 2 2H MET 81 2HT MET 81 93.457 8.329 3.308 3 3H MET 81 3HT MET 81 92.918 9.610 4.315 4 HA MET 81 HA MET 81 91.007 8.664 3.525 5 1HB MET 81 2HB MET 81 91.607 11.243 3.078 6 2HB MET 81 1HB MET 81 91.296 10.743 1.421 7 1HG MET 81 2HG MET 81 89.086 9.910 2.121 8 2HG MET 81 1HG MET 81 89.402 10.513 3.747 9 1HE MET 81 1HE MET 81 87.086 11.250 3.232 10 2HE MET 81 2HE MET 81 86.630 12.690 2.321 11 3HE MET 81 3HE MET 81 87.394 12.852 3.902 12 H VAL 82 H VAL 82 93.432 8.973 0.999 13 HA VAL 82 HA VAL 82 92.694 6.549 -0.241 14 HB VAL 82 HB VAL 82 90.788 7.864 -1.058 15 1HG1 VAL 82 1HG1 VAL 82 92.186 10.033 -1.030 16 2HG1 VAL 82 2HG1 VAL 82 90.966 9.825 -2.287 17 3HG1 VAL 82 3HG1 VAL 82 92.668 9.556 -2.657 18 1HG2 VAL 82 1HG2 VAL 82 91.624 6.079 -2.460 19 2HG2 VAL 82 2HG2 VAL 82 92.815 7.164 -3.179 20 3HG2 VAL 82 3HG2 VAL 82 91.094 7.426 -3.467 21 H ARG 83 H ARG 83 94.148 9.738 -0.767 22 HA ARG 83 HA ARG 83 96.043 8.875 -2.689 23 1HB ARG 83 2HB ARG 83 97.150 11.028 -2.265 24 2HB ARG 83 1HB ARG 83 95.417 11.221 -2.481 25 1HG ARG 83 2HG ARG 83 95.240 11.202 0.046 26 2HG ARG 83 1HG ARG 83 96.996 11.368 0.065 27 1HD ARG 83 2HD ARG 83 96.620 13.371 -1.498 28 2HD ARG 83 1HD ARG 83 94.937 13.284 -0.980 29 HE ARG 83 HE ARG 83 96.293 13.324 1.356 30 1HH1 ARG 83 1HH1 ARG 83 96.381 15.355 -1.480 31 2HH1 ARG 83 2HH1 ARG 83 96.825 16.779 -0.600 32 1HH2 ARG 83 1HH2 ARG 83 96.878 15.196 2.515 33 2HH2 ARG 83 2HH2 ARG 83 97.109 16.688 1.668 34 H CYS 84 H CYS 84 95.966 8.825 0.784 35 HA CYS 84 HA CYS 84 97.368 7.940 2.339 36 1HB CYS 84 2HB CYS 84 98.726 6.674 -0.049 37 2HB CYS 84 1HB CYS 84 98.952 6.204 1.631 38 HG CYS 84 HG CYS 84 97.241 4.585 0.522 39 H MET 85 H MET 85 99.815 7.768 2.919 40 HA MET 85 HA MET 85 100.891 10.349 2.840 41 1HB MET 85 2HB MET 85 102.367 7.769 3.390 42 2HB MET 85 1HB MET 85 102.877 9.380 3.869 43 1HG MET 85 2HG MET 85 100.240 8.332 4.783 44 2HG MET 85 1HG MET 85 101.721 7.805 5.581 45 1HE MET 85 1HE MET 85 103.535 9.503 6.391 46 2HE MET 85 2HE MET 85 102.494 9.095 7.756 47 3HE MET 85 3HE MET 85 102.989 10.767 7.494 48 H LYS 86 H LYS 86 103.060 10.946 1.995 49 HA LYS 86 HA LYS 86 103.739 9.600 -0.521 50 1HB LYS 86 2HB LYS 86 102.226 11.745 -0.711 51 2HB LYS 86 1HB LYS 86 103.743 12.590 -0.435 52 1HG LYS 86 2HG LYS 86 104.675 11.219 -2.363 53 2HG LYS 86 1HG LYS 86 103.000 10.791 -2.716 54 1HD LYS 86 2HD LYS 86 103.494 13.660 -2.305 55 2HD LYS 86 1HD LYS 86 104.278 12.965 -3.724 56 1HE LYS 86 2HE LYS 86 101.903 11.893 -4.096 57 2HE LYS 86 1HE LYS 86 101.379 13.246 -3.096 58 1HZ LYS 86 1HZ LYS 86 102.304 14.780 -4.645 59 2HZ LYS 86 2HZ LYS 86 101.342 13.697 -5.518 60 3HZ LYS 86 3HZ LYS 86 103.026 13.542 -5.546 61 H ASP 87 H ASP 87 104.985 9.642 2.120 62 HA ASP 87 HA ASP 87 107.396 11.236 1.708 63 1HB ASP 87 2HB ASP 87 108.000 10.474 3.995 64 2HB ASP 87 1HB ASP 87 106.449 11.304 3.938 65 H ASP 88 H ASP 88 106.312 7.903 1.799 66 HA ASP 88 HA ASP 88 108.963 6.803 1.622 67 1HB ASP 88 2HB ASP 88 106.712 5.745 2.538 68 2HB ASP 88 1HB ASP 88 106.546 5.220 0.865 69 H SER 89 H SER 89 106.507 7.844 -0.600 70 HA SER 89 HA SER 89 107.696 6.496 -2.868 71 1HB SER 89 2HB SER 89 105.627 8.660 -3.098 72 2HB SER 89 1HB SER 89 105.863 7.236 -4.109 73 HG SER 89 HG SER 89 104.048 7.246 -2.523 74 H LYS 90 H LYS 90 109.736 7.806 -1.969 75 HA LYS 90 HA LYS 90 109.878 10.377 -3.384 76 1HB LYS 90 2HB LYS 90 111.115 9.311 -0.933 77 2HB LYS 90 1HB LYS 90 112.208 10.218 -1.970 78 1HG LYS 90 2HG LYS 90 109.876 11.750 -1.834 79 2HG LYS 90 1HG LYS 90 110.161 11.167 -0.192 80 1HD LYS 90 2HD LYS 90 112.532 12.169 -1.631 81 2HD LYS 90 1HD LYS 90 111.311 13.378 -1.223 82 1HE LYS 90 2HE LYS 90 111.411 12.727 1.111 83 2HE LYS 90 1HE LYS 90 112.562 11.450 0.728 84 1HZ LYS 90 1HZ LYS 90 114.105 13.186 -0.048 85 2HZ LYS 90 2HZ LYS 90 113.727 13.340 1.593 86 3HZ LYS 90 3HZ LYS 90 113.012 14.373 0.459 87 H GLY 91 H GLY 91 112.259 10.814 -4.155 88 1HA GLY 91 2HA GLY 91 112.827 8.727 -6.089 89 2HA GLY 91 1HA GLY 91 113.548 10.329 -6.039 90 H LYS 92 H LYS 92 115.367 8.663 -6.601 91 HA LYS 92 HA LYS 92 116.503 7.062 -4.607 92 1HB LYS 92 2HB LYS 92 117.467 8.303 -7.132 93 2HB LYS 92 1HB LYS 92 118.685 7.719 -6.007 94 1HG LYS 92 2HG LYS 92 118.345 5.617 -6.619 95 2HG LYS 92 1HG LYS 92 116.605 5.759 -6.354 96 1HD LYS 92 2HD LYS 92 117.717 7.043 -8.784 97 2HD LYS 92 1HD LYS 92 117.664 5.280 -8.757 98 1HE LYS 92 2HE LYS 92 115.303 7.057 -8.170 99 2HE LYS 92 1HE LYS 92 115.644 6.358 -9.752 100 1HZ LYS 92 1HZ LYS 92 114.985 4.323 -9.094 101 2HZ LYS 92 2HZ LYS 92 114.099 5.188 -7.941 102 3HZ LYS 92 3HZ LYS 92 115.585 4.496 -7.520 103 H THR 93 H THR 93 116.422 8.218 -2.648 104 HA THR 93 HA THR 93 118.086 10.611 -2.430 105 HB THR 93 HB THR 93 117.169 10.532 -0.014 106 HG1 THR 93 HG1 THR 93 115.198 9.365 0.126 107 1HG2 THR 93 1HG2 THR 93 114.937 11.406 -0.700 108 2HG2 THR 93 2HG2 THR 93 115.359 11.000 -2.364 109 3HG2 THR 93 3HG2 THR 93 116.312 12.189 -1.477 110 H GLU 94 H GLU 94 119.162 10.624 -0.050 111 HA GLU 94 HA GLU 94 121.354 8.868 -0.234 112 1HB GLU 94 2HB GLU 94 120.395 10.854 1.775 113 2HB GLU 94 1HB GLU 94 121.656 9.727 2.253 114 1HG GLU 94 2HG GLU 94 123.161 10.555 0.670 115 2HG GLU 94 1HG GLU 94 121.889 11.366 -0.242 116 H GLU 95 H GLU 95 118.252 8.465 1.168 117 HA GLU 95 HA GLU 95 118.875 6.637 3.223 118 1HB GLU 95 2HB GLU 95 116.506 6.018 3.133 119 2HB GLU 95 1HB GLU 95 116.710 7.763 3.090 120 1HG GLU 95 2HG GLU 95 115.274 7.684 1.389 121 2HG GLU 95 1HG GLU 95 116.669 7.167 0.443 122 H GLU 96 H GLU 96 118.329 6.245 -0.226 123 HA GLU 96 HA GLU 96 118.178 3.394 -0.151 124 1HB GLU 96 2HB GLU 96 118.272 3.497 -2.562 125 2HB GLU 96 1HB GLU 96 117.198 4.757 -1.973 126 1HG GLU 96 2HG GLU 96 118.392 6.335 -2.963 127 2HG GLU 96 1HG GLU 96 119.881 5.758 -2.214 128 H LEU 97 H LEU 97 120.763 5.711 -0.324 129 HA LEU 97 HA LEU 97 122.791 4.157 -1.443 130 1HB LEU 97 2HB LEU 97 122.651 6.537 0.297 131 2HB LEU 97 1HB LEU 97 124.162 5.649 0.359 132 HG LEU 97 HG LEU 97 122.953 6.575 -2.238 133 1HD1 LEU 97 1HD1 LEU 97 125.206 8.069 -1.049 134 2HD1 LEU 97 2HD1 LEU 97 123.613 8.346 -0.348 135 3HD1 LEU 97 3HD1 LEU 97 123.880 8.630 -2.067 136 1HD2 LEU 97 1HD2 LEU 97 125.541 5.389 -1.358 137 2HD2 LEU 97 2HD2 LEU 97 125.528 6.504 -2.725 138 3HD2 LEU 97 3HD2 LEU 97 124.560 5.030 -2.780 139 H SER 98 H SER 98 121.400 4.120 1.755 140 HA SER 98 HA SER 98 123.439 2.733 3.106 141 1HB SER 98 2HB SER 98 121.778 2.256 4.798 142 2HB SER 98 1HB SER 98 121.509 3.894 4.200 143 HG SER 98 HG SER 98 119.923 1.648 3.989 144 H ASP 99 H ASP 99 120.869 1.662 0.996 145 HA ASP 99 HA ASP 99 120.875 -1.070 1.646 146 1HB ASP 99 2HB ASP 99 119.234 0.273 0.160 147 2HB ASP 99 1HB ASP 99 120.374 -0.057 -1.142 148 H LEU 100 H LEU 100 122.917 0.844 -0.467 149 HA LEU 100 HA LEU 100 124.187 -1.352 -1.754 150 1HB LEU 100 2HB LEU 100 124.887 1.554 -1.435 151 2HB LEU 100 1HB LEU 100 125.965 0.436 -2.249 152 HG LEU 100 HG LEU 100 123.839 -0.111 -3.690 153 1HD1 LEU 100 1HD1 LEU 100 122.079 1.072 -2.918 154 2HD1 LEU 100 2HD1 LEU 100 122.763 2.331 -3.946 155 3HD1 LEU 100 3HD1 LEU 100 123.092 2.332 -2.213 156 1HD2 LEU 100 1HD2 LEU 100 124.488 2.138 -4.993 157 2HD2 LEU 100 2HD2 LEU 100 125.518 0.705 -4.969 158 3HD2 LEU 100 3HD2 LEU 100 125.850 2.047 -3.875 159 H PHE 101 H PHE 101 124.719 0.356 1.236 160 HA PHE 101 HA PHE 101 127.372 -0.588 1.681 161 1HB PHE 101 2HB PHE 101 126.559 1.427 2.786 162 2HB PHE 101 1HB PHE 101 125.315 0.500 3.616 163 HD1 PHE 101 HD1 PHE 101 129.022 0.445 3.165 164 HD2 PHE 101 HD2 PHE 101 125.717 -0.060 5.798 165 HE1 PHE 101 HE1 PHE 101 130.574 0.034 5.028 166 HE2 PHE 101 HE2 PHE 101 127.264 -0.471 7.666 167 HZ PHE 101 HZ PHE 101 129.697 -0.423 7.283 168 H ARG 102 H ARG 102 124.206 -1.908 2.206 169 HA ARG 102 HA ARG 102 124.825 -3.765 4.232 170 1HB ARG 102 2HB ARG 102 122.594 -3.182 2.486 171 2HB ARG 102 1HB ARG 102 122.825 -4.919 2.637 172 1HG ARG 102 2HG ARG 102 123.029 -4.200 5.218 173 2HG ARG 102 1HG ARG 102 121.941 -2.941 4.630 174 1HD ARG 102 2HD ARG 102 120.457 -4.595 5.248 175 2HD ARG 102 1HD ARG 102 120.672 -4.927 3.530 176 HE ARG 102 HE ARG 102 122.564 -6.456 4.780 177 1HH1 ARG 102 1HH1 ARG 102 119.094 -6.155 4.994 178 2HH1 ARG 102 2HH1 ARG 102 118.853 -7.807 5.448 179 1HH2 ARG 102 1HH2 ARG 102 122.250 -8.631 5.378 180 2HH2 ARG 102 2HH2 ARG 102 120.645 -9.214 5.667 181 H MET 103 H MET 103 124.470 -4.297 0.722 182 HA MET 103 HA MET 103 125.359 -6.940 0.691 183 1HB MET 103 2HB MET 103 125.939 -6.467 -1.727 184 2HB MET 103 1HB MET 103 124.285 -6.114 -1.252 185 1HG MET 103 2HG MET 103 124.591 -4.144 -2.226 186 2HG MET 103 1HG MET 103 125.551 -3.730 -0.809 187 1HE MET 103 1HE MET 103 125.710 -3.801 -4.706 188 2HE MET 103 2HE MET 103 125.588 -5.482 -4.186 189 3HE MET 103 3HE MET 103 127.061 -4.905 -4.964 190 H PHE 104 H PHE 104 127.185 -3.928 0.321 191 HA PHE 104 HA PHE 104 129.686 -5.054 -0.228 192 1HB PHE 104 2HB PHE 104 128.649 -2.470 0.239 193 2HB PHE 104 1HB PHE 104 129.976 -2.681 1.379 194 HD1 PHE 104 HD1 PHE 104 132.249 -3.194 0.539 195 HD2 PHE 104 HD2 PHE 104 129.043 -2.203 -2.078 196 HE1 PHE 104 HE1 PHE 104 133.866 -2.711 -1.251 197 HE2 PHE 104 HE2 PHE 104 130.655 -1.718 -3.873 198 HZ PHE 104 HZ PHE 104 133.069 -1.972 -3.461 199 H ASP 105 H ASP 105 128.105 -4.325 2.847 200 HA ASP 105 HA ASP 105 130.361 -5.105 4.434 201 1HB ASP 105 2HB ASP 105 128.341 -3.519 5.015 202 2HB ASP 105 1HB ASP 105 127.575 -5.021 5.527 203 H LYS 106 H LYS 106 131.012 -7.164 4.345 204 HA LYS 106 HA LYS 106 129.381 -9.376 3.759 205 1HB LYS 106 2HB LYS 106 132.012 -9.047 3.791 206 2HB LYS 106 1HB LYS 106 131.847 -9.729 5.402 207 1HG LYS 106 2HG LYS 106 132.267 -11.583 4.090 208 2HG LYS 106 1HG LYS 106 130.508 -11.597 4.234 209 1HD LYS 106 2HD LYS 106 130.668 -10.147 2.032 210 2HD LYS 106 1HD LYS 106 132.223 -10.967 1.883 211 1HE LYS 106 2HE LYS 106 131.271 -12.945 1.398 212 2HE LYS 106 1HE LYS 106 129.983 -12.724 2.581 213 1HZ LYS 106 1HZ LYS 106 130.072 -11.942 -0.239 214 2HZ LYS 106 2HZ LYS 106 129.184 -10.972 0.825 215 3HZ LYS 106 3HZ LYS 106 128.801 -12.610 0.654 216 H ASN 107 H ASN 107 130.764 -8.342 6.880 217 HA ASN 107 HA ASN 107 129.223 -10.256 8.356 218 1HB ASN 107 2HB ASN 107 131.481 -9.363 9.047 219 2HB ASN 107 1HB ASN 107 130.683 -7.847 9.447 220 1HD2 ASN 107 1HD2 ASN 107 131.260 -11.107 10.375 221 2HD2 ASN 107 2HD2 ASN 107 130.483 -11.036 11.915 222 H ALA 108 H ALA 108 128.848 -6.918 7.426 223 HA ALA 108 HA ALA 108 127.117 -5.456 7.615 224 1HB ALA 108 1HB ALA 108 124.869 -6.649 8.367 225 2HB ALA 108 2HB ALA 108 125.795 -8.090 7.946 226 3HB ALA 108 3HB ALA 108 125.527 -6.831 6.741 227 H ASP 109 H ASP 109 128.850 -5.581 9.764 228 HA ASP 109 HA ASP 109 127.139 -5.441 12.143 229 1HB ASP 109 2HB ASP 109 129.299 -5.361 13.396 230 2HB ASP 109 1HB ASP 109 129.089 -6.825 12.439 231 H GLY 110 H GLY 110 128.355 -3.415 9.792 232 1HA GLY 110 2HA GLY 110 127.540 -1.068 10.125 233 2HA GLY 110 1HA GLY 110 128.400 -1.124 11.658 234 H TYR 111 H TYR 111 130.595 -2.703 10.335 235 HA TYR 111 HA TYR 111 131.782 -0.577 8.691 236 1HB TYR 111 2HB TYR 111 133.262 -2.051 10.876 237 2HB TYR 111 1HB TYR 111 133.888 -0.751 9.869 238 HD1 TYR 111 HD1 TYR 111 133.476 1.531 10.411 239 HD2 TYR 111 HD2 TYR 111 131.514 -1.557 12.581 240 HE1 TYR 111 HE1 TYR 111 132.733 3.181 12.076 241 HE2 TYR 111 HE2 TYR 111 130.766 0.084 14.252 242 HH TYR 111 HH TYR 111 131.988 3.287 14.360 243 H ILE 112 H ILE 112 133.645 -1.312 7.411 244 HA ILE 112 HA ILE 112 133.592 -4.206 6.871 245 HB ILE 112 HB ILE 112 133.798 -2.098 4.722 246 1HG1 ILE 112 2HG1 ILE 112 131.408 -3.785 5.501 247 2HG1 ILE 112 1HG1 ILE 112 131.565 -2.052 5.769 248 1HG2 ILE 112 1HG2 ILE 112 133.952 -5.042 4.802 249 2HG2 ILE 112 2HG2 ILE 112 134.709 -3.893 3.699 250 3HG2 ILE 112 3HG2 ILE 112 133.019 -4.346 3.478 251 1HD1 ILE 112 1HD1 ILE 112 130.253 -3.025 3.709 252 2HD1 ILE 112 2HD1 ILE 112 131.867 -3.064 3.000 253 3HD1 ILE 112 3HD1 ILE 112 131.198 -1.541 3.586 254 H ASP 113 H ASP 113 135.530 -5.143 6.280 255 HA ASP 113 HA ASP 113 137.890 -3.394 6.190 256 1HB ASP 113 2HB ASP 113 139.083 -5.232 7.520 257 2HB ASP 113 1HB ASP 113 137.984 -4.182 8.409 258 H LEU 114 H LEU 114 139.889 -4.833 5.584 259 HA LEU 114 HA LEU 114 139.501 -5.748 2.972 260 1HB LEU 114 2HB LEU 114 141.781 -6.477 4.809 261 2HB LEU 114 1HB LEU 114 141.796 -6.507 3.056 262 HG LEU 114 HG LEU 114 141.137 -3.884 4.209 263 1HD1 LEU 114 1HD1 LEU 114 143.334 -3.341 4.959 264 2HD1 LEU 114 2HD1 LEU 114 143.947 -4.927 4.490 265 3HD1 LEU 114 3HD1 LEU 114 142.811 -4.782 5.831 266 1HD2 LEU 114 1HD2 LEU 114 143.235 -4.705 2.212 267 2HD2 LEU 114 2HD2 LEU 114 142.548 -3.099 2.455 268 3HD2 LEU 114 3HD2 LEU 114 141.549 -4.395 1.797 269 H GLU 115 H GLU 115 139.868 -7.552 6.004 270 HA GLU 115 HA GLU 115 139.888 -10.129 4.928 271 1HB GLU 115 2HB GLU 115 138.774 -9.234 7.592 272 2HB GLU 115 1HB GLU 115 139.209 -10.882 7.163 273 1HG GLU 115 2HG GLU 115 141.515 -9.530 6.620 274 2HG GLU 115 1HG GLU 115 140.891 -8.656 8.017 275 H GLU 116 H GLU 116 137.162 -8.137 6.026 276 HA GLU 116 HA GLU 116 135.190 -10.111 5.445 277 1HB GLU 116 2HB GLU 116 135.251 -7.351 6.425 278 2HB GLU 116 1HB GLU 116 133.844 -7.709 5.435 279 1HG GLU 116 2HG GLU 116 132.988 -9.196 6.932 280 2HG GLU 116 1HG GLU 116 134.572 -9.634 7.571 281 H LEU 117 H LEU 117 136.554 -7.393 3.675 282 HA LEU 117 HA LEU 117 134.667 -7.438 1.549 283 1HB LEU 117 2HB LEU 117 136.510 -5.663 2.329 284 2HB LEU 117 1HB LEU 117 137.422 -6.455 1.059 285 HG LEU 117 HG LEU 117 135.686 -5.902 -0.568 286 1HD1 LEU 117 1HD1 LEU 117 133.915 -4.245 0.190 287 2HD1 LEU 117 2HD1 LEU 117 134.299 -4.756 1.835 288 3HD1 LEU 117 3HD1 LEU 117 133.689 -5.928 0.668 289 1HD2 LEU 117 1HD2 LEU 117 135.827 -3.264 -0.035 290 2HD2 LEU 117 2HD2 LEU 117 137.152 -4.198 -0.727 291 3HD2 LEU 117 3HD2 LEU 117 137.117 -3.866 1.005 292 H LYS 118 H LYS 118 137.891 -8.857 1.967 293 HA LYS 118 HA LYS 118 138.291 -9.833 -0.593 294 1HB LYS 118 2HB LYS 118 139.874 -11.366 0.354 295 2HB LYS 118 1HB LYS 118 139.964 -9.860 1.255 296 1HG LYS 118 2HG LYS 118 139.525 -10.904 3.157 297 2HG LYS 118 1HG LYS 118 138.067 -11.631 2.483 298 1HD LYS 118 2HD LYS 118 139.950 -13.146 1.288 299 2HD LYS 118 1HD LYS 118 140.779 -12.751 2.796 300 1HE LYS 118 2HE LYS 118 137.983 -13.866 2.666 301 2HE LYS 118 1HE LYS 118 139.425 -14.865 2.841 302 1HZ LYS 118 1HZ LYS 118 138.037 -13.906 4.896 303 2HZ LYS 118 2HZ LYS 118 139.174 -12.667 4.722 304 3HZ LYS 118 3HZ LYS 118 139.690 -14.258 4.976 305 H ILE 119 H ILE 119 136.152 -10.993 1.888 306 HA ILE 119 HA ILE 119 135.764 -13.614 0.868 307 HB ILE 119 HB ILE 119 133.818 -11.986 2.504 308 1HG1 ILE 119 2HG1 ILE 119 135.738 -13.980 3.658 309 2HG1 ILE 119 1HG1 ILE 119 136.273 -12.329 3.355 310 1HG2 ILE 119 1HG2 ILE 119 132.832 -14.042 3.134 311 2HG2 ILE 119 2HG2 ILE 119 134.143 -14.974 2.410 312 3HG2 ILE 119 3HG2 ILE 119 133.011 -14.097 1.380 313 1HD1 ILE 119 1HD1 ILE 119 134.161 -11.674 4.707 314 2HD1 ILE 119 2HD1 ILE 119 135.601 -12.242 5.552 315 3HD1 ILE 119 3HD1 ILE 119 134.242 -13.336 5.292 316 H MET 120 H MET 120 133.798 -10.653 0.597 317 HA MET 120 HA MET 120 131.851 -11.724 -1.114 318 1HB MET 120 2HB MET 120 131.276 -9.396 -1.629 319 2HB MET 120 1HB MET 120 131.519 -9.631 0.097 320 1HG MET 120 2HG MET 120 133.384 -8.340 0.156 321 2HG MET 120 1HG MET 120 133.846 -8.735 -1.498 322 1HE MET 120 1HE MET 120 132.136 -6.891 -3.792 323 2HE MET 120 2HE MET 120 133.623 -7.676 -3.259 324 3HE MET 120 3HE MET 120 133.495 -5.915 -3.236 325 H LEU 121 H LEU 121 135.041 -10.465 -1.734 326 HA LEU 121 HA LEU 121 134.721 -10.098 -4.539 327 1HB LEU 121 2HB LEU 121 137.054 -10.251 -2.675 328 2HB LEU 121 1HB LEU 121 137.328 -10.317 -4.406 329 HG LEU 121 HG LEU 121 135.625 -8.097 -3.435 330 1HD1 LEU 121 1HD1 LEU 121 138.407 -8.528 -2.542 331 2HD1 LEU 121 2HD1 LEU 121 137.100 -7.612 -1.792 332 3HD1 LEU 121 3HD1 LEU 121 138.008 -6.916 -3.135 333 1HD2 LEU 121 1HD2 LEU 121 136.421 -8.613 -5.828 334 2HD2 LEU 121 2HD2 LEU 121 137.973 -7.969 -5.292 335 3HD2 LEU 121 3HD2 LEU 121 136.532 -6.953 -5.246 336 H GLN 122 H GLN 122 135.607 -12.793 -2.497 337 HA GLN 122 HA GLN 122 136.762 -14.476 -4.409 338 1HB GLN 122 2HB GLN 122 135.132 -15.174 -1.961 339 2HB GLN 122 1HB GLN 122 136.085 -16.327 -2.884 340 1HG GLN 122 2HG GLN 122 137.883 -14.317 -2.328 341 2HG GLN 122 1HG GLN 122 136.911 -14.419 -0.862 342 1HE2 GLN 122 1HE2 GLN 122 136.732 -16.500 0.173 343 2HE2 GLN 122 2HE2 GLN 122 138.026 -17.638 0.035 344 H ALA 123 H ALA 123 133.429 -13.686 -3.758 345 HA ALA 123 HA ALA 123 132.141 -15.826 -4.998 346 1HB ALA 123 1HB ALA 123 130.957 -13.133 -5.341 347 2HB ALA 123 2HB ALA 123 131.272 -13.669 -3.690 348 3HB ALA 123 3HB ALA 123 130.232 -14.627 -4.744 349 H THR 124 H THR 124 133.389 -12.806 -6.373 350 HA THR 124 HA THR 124 132.400 -13.136 -8.973 351 HB THR 124 HB THR 124 134.119 -11.526 -9.647 352 HG1 THR 124 HG1 THR 124 135.646 -10.846 -8.077 353 1HG2 THR 124 1HG2 THR 124 133.421 -9.702 -8.437 354 2HG2 THR 124 2HG2 THR 124 133.330 -10.605 -6.925 355 3HG2 THR 124 3HG2 THR 124 132.105 -10.846 -8.171 356 H GLY 125 H GLY 125 133.823 -13.488 -10.930 357 1HA GLY 125 2HA GLY 125 135.094 -16.072 -10.651 358 2HA GLY 125 1HA GLY 125 134.787 -15.214 -12.154 359 H GLU 126 H GLU 126 136.085 -12.770 -11.369 360 HA GLU 126 HA GLU 126 138.738 -13.401 -12.143 361 1HB GLU 126 2HB GLU 126 137.772 -10.803 -10.943 362 2HB GLU 126 1HB GLU 126 139.178 -11.044 -11.974 363 1HG GLU 126 2HG GLU 126 137.155 -12.007 -13.533 364 2HG GLU 126 1HG GLU 126 136.367 -10.682 -12.676 365 H THR 127 H THR 127 140.535 -13.743 -10.977 366 HA THR 127 HA THR 127 140.289 -14.128 -8.139 367 HB THR 127 HB THR 127 142.779 -14.689 -8.365 368 HG1 THR 127 HG1 THR 127 142.972 -13.499 -10.386 369 1HG2 THR 127 1HG2 THR 127 142.332 -16.778 -9.727 370 2HG2 THR 127 2HG2 THR 127 140.674 -16.196 -9.873 371 3HG2 THR 127 3HG2 THR 127 141.350 -16.538 -8.281 372 H ILE 128 H ILE 128 140.352 -12.460 -6.789 373 HA ILE 128 HA ILE 128 142.053 -10.155 -7.437 374 HB ILE 128 HB ILE 128 139.951 -10.318 -5.278 375 1HG1 ILE 128 2HG1 ILE 128 138.954 -10.709 -7.510 376 2HG1 ILE 128 1HG1 ILE 128 138.441 -9.175 -6.814 377 1HG2 ILE 128 1HG2 ILE 128 141.555 -8.564 -4.915 378 2HG2 ILE 128 2HG2 ILE 128 140.035 -7.848 -5.449 379 3HG2 ILE 128 3HG2 ILE 128 141.380 -8.005 -6.579 380 1HD1 ILE 128 1HD1 ILE 128 140.455 -9.615 -8.998 381 2HD1 ILE 128 2HD1 ILE 128 140.199 -8.063 -8.200 382 3HD1 ILE 128 3HD1 ILE 128 138.889 -8.813 -9.113 383 H THR 129 H THR 129 143.763 -9.597 -6.209 384 HA THR 129 HA THR 129 144.520 -11.420 -4.060 385 HB THR 129 HB THR 129 146.706 -10.058 -4.211 386 HG1 THR 129 HG1 THR 129 146.957 -8.994 -6.215 387 1HG2 THR 129 1HG2 THR 129 147.186 -12.008 -5.184 388 2HG2 THR 129 2HG2 THR 129 147.027 -11.102 -6.690 389 3HG2 THR 129 3HG2 THR 129 145.668 -12.050 -6.084 390 H GLU 130 H GLU 130 145.952 -10.142 -2.320 391 HA GLU 130 HA GLU 130 144.094 -8.629 -0.803 392 1HB GLU 130 2HB GLU 130 146.901 -9.539 -0.467 393 2HB GLU 130 1HB GLU 130 146.388 -8.172 0.513 394 1HG GLU 130 2HG GLU 130 144.718 -9.431 1.585 395 2HG GLU 130 1HG GLU 130 144.833 -10.734 0.405 396 H ASP 131 H ASP 131 146.950 -7.773 -2.699 397 HA ASP 131 HA ASP 131 147.119 -5.075 -1.969 398 1HB ASP 131 2HB ASP 131 148.215 -6.794 -4.067 399 2HB ASP 131 1HB ASP 131 147.977 -5.130 -4.598 400 H ASP 132 H ASP 132 145.233 -6.689 -4.480 401 HA ASP 132 HA ASP 132 144.285 -4.386 -5.781 402 1HB ASP 132 2HB ASP 132 143.459 -7.241 -5.636 403 2HB ASP 132 1HB ASP 132 142.268 -6.089 -6.232 404 H ILE 133 H ILE 133 143.163 -6.105 -2.931 405 HA ILE 133 HA ILE 133 140.694 -4.687 -2.705 406 HB ILE 133 HB ILE 133 142.173 -6.133 -0.507 407 1HG1 ILE 133 2HG1 ILE 133 139.997 -7.357 -2.176 408 2HG1 ILE 133 1HG1 ILE 133 141.668 -7.412 -2.722 409 1HG2 ILE 133 1HG2 ILE 133 139.233 -6.114 -0.617 410 2HG2 ILE 133 2HG2 ILE 133 139.991 -4.557 -0.288 411 3HG2 ILE 133 3HG2 ILE 133 140.322 -5.937 0.760 412 1HD1 ILE 133 1HD1 ILE 133 142.129 -8.387 -0.361 413 2HD1 ILE 133 2HD1 ILE 133 141.446 -9.415 -1.622 414 3HD1 ILE 133 3HD1 ILE 133 140.401 -8.737 -0.375 415 H GLU 134 H GLU 134 143.960 -4.183 -1.573 416 HA GLU 134 HA GLU 134 143.489 -2.334 0.468 417 1HB GLU 134 2HB GLU 134 145.813 -2.646 -1.431 418 2HB GLU 134 1HB GLU 134 145.817 -1.506 -0.092 419 1HG GLU 134 2HG GLU 134 145.448 -3.403 1.458 420 2HG GLU 134 1HG GLU 134 145.596 -4.501 0.086 421 H GLU 135 H GLU 135 143.480 -1.969 -3.003 422 HA GLU 135 HA GLU 135 143.600 0.882 -3.021 423 1HB GLU 135 2HB GLU 135 143.236 -1.273 -4.986 424 2HB GLU 135 1HB GLU 135 142.384 0.213 -5.386 425 1HG GLU 135 2HG GLU 135 145.225 0.415 -4.552 426 2HG GLU 135 1HG GLU 135 144.866 -0.224 -6.156 427 H LEU 136 H LEU 136 140.985 -1.492 -3.078 428 HA LEU 136 HA LEU 136 138.859 0.259 -3.577 429 1HB LEU 136 2HB LEU 136 139.076 -2.396 -2.204 430 2HB LEU 136 1HB LEU 136 137.551 -1.530 -2.210 431 HG LEU 136 HG LEU 136 138.241 -1.474 -4.864 432 1HD1 LEU 136 1HD1 LEU 136 140.056 -3.209 -3.948 433 2HD1 LEU 136 2HD1 LEU 136 139.325 -3.336 -5.547 434 3HD1 LEU 136 3HD1 LEU 136 138.711 -4.317 -4.217 435 1HD2 LEU 136 1HD2 LEU 136 136.061 -1.996 -4.504 436 2HD2 LEU 136 2HD2 LEU 136 136.427 -3.085 -3.167 437 3HD2 LEU 136 3HD2 LEU 136 136.665 -3.621 -4.830 438 H MET 137 H MET 137 140.477 -0.630 -0.575 439 HA MET 137 HA MET 137 138.635 0.886 1.052 440 1HB MET 137 2HB MET 137 141.286 -0.355 1.809 441 2HB MET 137 1HB MET 137 140.059 0.237 2.920 442 1HG MET 137 2HG MET 137 139.831 -2.112 1.057 443 2HG MET 137 1HG MET 137 139.951 -2.153 2.815 444 1HE MET 137 1HE MET 137 138.285 -1.271 4.405 445 2HE MET 137 2HE MET 137 137.638 -2.871 4.042 446 3HE MET 137 3HE MET 137 136.555 -1.482 4.137 447 H LYS 138 H LYS 138 141.714 1.379 -0.494 448 HA LYS 138 HA LYS 138 142.702 3.525 0.985 449 1HB LYS 138 2HB LYS 138 143.301 2.237 -1.490 450 2HB LYS 138 1HB LYS 138 143.296 3.974 -1.766 451 1HG LYS 138 2HG LYS 138 144.902 4.278 0.041 452 2HG LYS 138 1HG LYS 138 144.895 2.539 0.345 453 1HD LYS 138 2HD LYS 138 145.792 2.118 -1.867 454 2HD LYS 138 1HD LYS 138 145.715 3.838 -2.253 455 1HE LYS 138 2HE LYS 138 147.176 3.930 0.003 456 2HE LYS 138 1HE LYS 138 147.652 2.343 -0.600 457 1HZ LYS 138 1HZ LYS 138 148.375 3.312 -2.639 458 2HZ LYS 138 2HZ LYS 138 149.080 4.189 -1.377 459 3HZ LYS 138 3HZ LYS 138 147.759 4.831 -2.216 460 H ASP 139 H ASP 139 140.668 3.591 -1.939 461 HA ASP 139 HA ASP 139 140.238 6.436 -1.653 462 1HB ASP 139 2HB ASP 139 139.101 6.330 -3.747 463 2HB ASP 139 1HB ASP 139 140.506 5.278 -3.878 464 H GLY 140 H GLY 140 138.715 3.550 -0.614 465 1HA GLY 140 2HA GLY 140 136.046 4.591 -0.443 466 2HA GLY 140 1HA GLY 140 136.638 3.110 0.296 467 H ASP 141 H ASP 141 138.842 4.606 1.634 468 HA ASP 141 HA ASP 141 137.277 5.470 3.934 469 1HB ASP 141 2HB ASP 141 139.362 3.881 3.938 470 2HB ASP 141 1HB ASP 141 140.274 5.386 3.896 471 H LYS 142 H LYS 142 137.330 7.495 4.822 472 HA LYS 142 HA LYS 142 138.593 9.581 3.174 473 1HB LYS 142 2HB LYS 142 136.268 9.879 5.081 474 2HB LYS 142 1HB LYS 142 136.890 11.104 3.984 475 1HG LYS 142 2HG LYS 142 135.693 8.490 3.095 476 2HG LYS 142 1HG LYS 142 134.801 10.009 3.213 477 1HD LYS 142 2HD LYS 142 137.299 9.699 1.562 478 2HD LYS 142 1HD LYS 142 135.683 9.408 0.917 479 1HE LYS 142 2HE LYS 142 135.625 11.897 2.264 480 2HE LYS 142 1HE LYS 142 137.064 11.882 1.247 481 1HZ LYS 142 1HZ LYS 142 135.626 11.215 -0.625 482 2HZ LYS 142 2HZ LYS 142 135.225 12.735 0.001 483 3HZ LYS 142 3HZ LYS 142 134.271 11.389 0.373 484 H ASN 143 H ASN 143 138.003 8.525 6.490 485 HA ASN 143 HA ASN 143 139.714 10.609 7.566 486 1HB ASN 143 2HB ASN 143 139.161 9.582 9.760 487 2HB ASN 143 1HB ASN 143 137.733 10.035 8.835 488 1HD2 ASN 143 1HD2 ASN 143 138.504 7.906 10.930 489 2HD2 ASN 143 2HD2 ASN 143 137.794 6.464 10.299 490 H ASN 144 H ASN 144 140.107 7.488 6.321 491 HA ASN 144 HA ASN 144 141.907 6.111 6.161 492 1HB ASN 144 2HB ASN 144 143.120 8.346 5.958 493 2HB ASN 144 1HB ASN 144 143.512 8.177 7.666 494 1HD2 ASN 144 1HD2 ASN 144 143.458 5.965 4.889 495 2HD2 ASN 144 2HD2 ASN 144 145.072 5.388 5.102 496 H ASP 145 H ASP 145 140.421 5.047 7.837 497 HA ASP 145 HA ASP 145 141.835 4.753 10.401 498 1HB ASP 145 2HB ASP 145 139.714 3.895 11.301 499 2HB ASP 145 1HB ASP 145 139.516 5.509 10.625 500 H GLY 146 H GLY 146 140.635 3.074 7.587 501 1HA GLY 146 2HA GLY 146 141.998 1.083 6.989 502 2HA GLY 146 1HA GLY 146 141.796 0.574 8.658 503 H ARG 147 H ARG 147 138.927 1.659 8.440 504 HA ARG 147 HA ARG 147 137.810 -0.561 6.863 505 1HB ARG 147 2HB ARG 147 136.754 0.367 9.537 506 2HB ARG 147 1HB ARG 147 136.162 -0.985 8.581 507 1HG ARG 147 2HG ARG 147 138.602 -1.869 8.846 508 2HG ARG 147 1HG ARG 147 138.638 -0.765 10.223 509 1HD ARG 147 2HD ARG 147 136.407 -1.894 10.883 510 2HD ARG 147 1HD ARG 147 136.907 -3.167 9.772 511 HE ARG 147 HE ARG 147 139.071 -2.836 11.368 512 1HH1 ARG 147 1HH1 ARG 147 135.688 -3.419 11.997 513 2HH1 ARG 147 2HH1 ARG 147 135.981 -4.285 13.467 514 1HH2 ARG 147 1HH2 ARG 147 139.459 -3.976 13.302 515 2HH2 ARG 147 2HH2 ARG 147 138.123 -4.602 14.208 516 H ILE 148 H ILE 148 135.456 -0.253 6.388 517 HA ILE 148 HA ILE 148 134.871 2.603 5.941 518 HB ILE 148 HB ILE 148 133.971 0.300 4.206 519 1HG1 ILE 148 2HG1 ILE 148 136.138 2.344 3.668 520 2HG1 ILE 148 1HG1 ILE 148 136.429 0.665 4.113 521 1HG2 ILE 148 1HG2 ILE 148 133.795 3.289 3.840 522 2HG2 ILE 148 2HG2 ILE 148 132.454 2.186 4.149 523 3HG2 ILE 148 3HG2 ILE 148 133.344 2.087 2.629 524 1HD1 ILE 148 1HD1 ILE 148 135.234 -0.034 2.064 525 2HD1 ILE 148 2HD1 ILE 148 136.689 0.913 1.748 526 3HD1 ILE 148 3HD1 ILE 148 135.099 1.665 1.608 527 H ASP 149 H ASP 149 132.795 3.335 6.296 528 HA ASP 149 HA ASP 149 130.844 1.407 7.344 529 1HB ASP 149 2HB ASP 149 130.256 2.994 9.152 530 2HB ASP 149 1HB ASP 149 131.914 2.413 9.286 531 H TYR 150 H TYR 150 128.735 2.926 7.882 532 HA TYR 150 HA TYR 150 127.653 3.550 5.385 533 1HB TYR 150 2HB TYR 150 126.292 2.976 7.354 534 2HB TYR 150 1HB TYR 150 126.738 4.503 8.107 535 HD1 TYR 150 HD1 TYR 150 125.551 3.573 4.682 536 HD2 TYR 150 HD2 TYR 150 124.932 5.934 8.169 537 HE1 TYR 150 HE1 TYR 150 123.632 4.662 3.597 538 HE2 TYR 150 HE2 TYR 150 123.011 7.028 7.093 539 HH TYR 150 HH TYR 150 121.392 6.551 5.288 540 H ASP 151 H ASP 151 128.977 5.674 7.898 541 HA ASP 151 HA ASP 151 128.379 8.120 6.678 542 1HB ASP 151 2HB ASP 151 130.544 7.291 8.605 543 2HB ASP 151 1HB ASP 151 130.381 8.953 8.045 544 H GLU 152 H GLU 152 131.329 6.144 6.501 545 HA GLU 152 HA GLU 152 132.685 7.870 4.709 546 1HB GLU 152 2HB GLU 152 133.140 4.909 5.103 547 2HB GLU 152 1HB GLU 152 134.285 6.077 4.457 548 1HG GLU 152 2HG GLU 152 133.261 6.711 7.128 549 2HG GLU 152 1HG GLU 152 134.216 5.232 7.027 550 H PHE 153 H PHE 153 130.731 4.953 4.245 551 HA PHE 153 HA PHE 153 131.139 4.651 1.492 552 1HB PHE 153 2HB PHE 153 129.944 3.102 3.225 553 2HB PHE 153 1HB PHE 153 128.501 3.995 2.760 554 HD1 PHE 153 HD1 PHE 153 127.190 2.713 1.384 555 HD2 PHE 153 HD2 PHE 153 131.410 2.667 0.837 556 HE1 PHE 153 HE1 PHE 153 126.915 1.250 -0.574 557 HE2 PHE 153 HE2 PHE 153 131.143 1.204 -1.124 558 HZ PHE 153 HZ PHE 153 128.894 0.495 -1.832 559 H LEU 154 H LEU 154 129.012 6.754 3.300 560 HA LEU 154 HA LEU 154 127.326 7.512 1.156 561 1HB LEU 154 2HB LEU 154 127.592 8.116 3.910 562 2HB LEU 154 1HB LEU 154 127.626 9.643 3.050 563 HG LEU 154 HG LEU 154 125.361 9.107 3.736 564 1HD1 LEU 154 1HD1 LEU 154 125.906 8.958 0.784 565 2HD1 LEU 154 2HD1 LEU 154 125.462 10.369 1.744 566 3HD1 LEU 154 3HD1 LEU 154 124.279 9.094 1.451 567 1HD2 LEU 154 1HD2 LEU 154 125.175 6.794 1.893 568 2HD2 LEU 154 2HD2 LEU 154 124.305 7.126 3.391 569 3HD2 LEU 154 3HD2 LEU 154 125.965 6.534 3.448 570 H GLU 155 H GLU 155 130.223 9.014 2.566 571 HA GLU 155 HA GLU 155 130.286 11.208 0.772 572 1HB GLU 155 2HB GLU 155 132.538 9.973 2.370 573 2HB GLU 155 1HB GLU 155 132.578 11.552 1.598 574 1HG GLU 155 2HG GLU 155 130.896 12.391 3.064 575 2HG GLU 155 1HG GLU 155 130.601 10.786 3.729 576 H PHE 156 H PHE 156 131.787 8.015 0.753 577 HA PHE 156 HA PHE 156 133.496 8.394 -1.438 578 1HB PHE 156 2HB PHE 156 133.567 6.459 0.145 579 2HB PHE 156 1HB PHE 156 132.125 5.820 -0.640 580 HD1 PHE 156 HD1 PHE 156 135.423 7.193 -1.737 581 HD2 PHE 156 HD2 PHE 156 132.522 4.100 -2.088 582 HE1 PHE 156 HE1 PHE 156 136.837 6.062 -3.404 583 HE2 PHE 156 HE2 PHE 156 133.930 2.964 -3.754 584 HZ PHE 156 HZ PHE 156 136.090 3.944 -4.413 585 H MET 157 H MET 157 130.133 7.301 -1.268 586 HA MET 157 HA MET 157 129.889 6.800 -4.060 587 1HB MET 157 2HB MET 157 127.931 7.102 -1.802 588 2HB MET 157 1HB MET 157 127.368 6.984 -3.463 589 1HG MET 157 2HG MET 157 129.305 4.934 -2.646 590 2HG MET 157 1HG MET 157 127.745 4.877 -1.827 591 1HE MET 157 1HE MET 157 128.446 2.418 -5.109 592 2HE MET 157 2HE MET 157 127.844 2.138 -3.474 593 3HE MET 157 3HE MET 157 129.385 2.960 -3.717 594 H LYS 158 H LYS 158 129.140 9.552 -1.976 595 HA LYS 158 HA LYS 158 128.056 11.096 -4.165 596 1HB LYS 158 2HB LYS 158 127.399 11.211 -1.656 597 2HB LYS 158 1HB LYS 158 128.822 12.229 -1.490 598 1HG LYS 158 2HG LYS 158 127.870 13.973 -2.565 599 2HG LYS 158 1HG LYS 158 126.943 12.939 -3.654 600 1HD LYS 158 2HD LYS 158 126.226 12.937 -0.767 601 2HD LYS 158 1HD LYS 158 125.776 14.343 -1.734 602 1HE LYS 158 2HE LYS 158 125.181 11.739 -2.962 603 2HE LYS 158 1HE LYS 158 124.276 12.094 -1.490 604 1HZ LYS 158 1HZ LYS 158 123.181 12.839 -3.567 605 2HZ LYS 158 2HZ LYS 158 124.444 13.938 -3.809 606 3HZ LYS 158 3HZ LYS 158 123.441 14.087 -2.454 607 H GLY 159 H GLY 159 130.070 10.810 -5.453 608 1HA GLY 159 2HA GLY 159 131.591 12.363 -6.469 609 2HA GLY 159 1HA GLY 159 131.903 13.039 -4.876 610 H VAL 160 H VAL 160 132.195 9.947 -6.626 611 HA VAL 160 HA VAL 160 134.139 8.807 -4.974 612 HB VAL 160 HB VAL 160 133.932 8.329 -7.945 613 1HG1 VAL 160 1HG1 VAL 160 135.840 7.281 -6.882 614 2HG1 VAL 160 2HG1 VAL 160 134.649 6.057 -7.326 615 3HG1 VAL 160 3HG1 VAL 160 134.795 6.577 -5.647 616 1HG2 VAL 160 1HG2 VAL 160 132.380 6.412 -7.069 617 2HG2 VAL 160 2HG2 VAL 160 131.727 8.023 -7.361 618 3HG2 VAL 160 3HG2 VAL 160 132.120 7.516 -5.719 619 H GLU 161 H GLU 161 134.529 10.667 -7.983 620 HA GLU 161 HA GLU 161 137.385 10.606 -7.866 621 1HB GLU 161 2HB GLU 161 137.282 12.201 -9.733 622 2HB GLU 161 1HB GLU 161 136.229 10.818 -10.003 623 1HG GLU 161 2HG GLU 161 134.475 12.481 -8.860 624 2HG GLU 161 1HG GLU 161 135.564 13.662 -9.587 Start of MODEL 20 1 1H MET 81 1HT MET 81 96.190 9.086 3.544 2 2H MET 81 2HT MET 81 95.702 9.179 1.902 3 3H MET 81 3HT MET 81 94.579 8.699 3.107 4 HA MET 81 HA MET 81 94.464 10.788 4.019 5 1HB MET 81 2HB MET 81 97.066 11.075 2.620 6 2HB MET 81 1HB MET 81 96.083 12.528 2.745 7 1HG MET 81 2HG MET 81 96.095 12.445 5.107 8 2HG MET 81 1HG MET 81 96.770 10.818 5.115 9 1HE MET 81 1HE MET 81 97.622 13.189 6.787 10 2HE MET 81 2HE MET 81 99.322 13.604 6.561 11 3HE MET 81 3HE MET 81 98.864 11.948 6.955 12 H VAL 82 H VAL 82 93.088 9.489 1.985 13 HA VAL 82 HA VAL 82 91.495 9.938 0.418 14 HB VAL 82 HB VAL 82 92.300 12.842 0.591 15 1HG1 VAL 82 1HG1 VAL 82 90.745 11.865 -1.254 16 2HG1 VAL 82 2HG1 VAL 82 90.285 13.347 -0.414 17 3HG1 VAL 82 3HG1 VAL 82 89.550 11.811 0.043 18 1HG2 VAL 82 1HG2 VAL 82 91.827 11.961 2.833 19 2HG2 VAL 82 2HG2 VAL 82 90.266 11.367 2.266 20 3HG2 VAL 82 3HG2 VAL 82 90.590 13.100 2.305 21 H ARG 83 H ARG 83 94.013 12.365 -0.297 22 HA ARG 83 HA ARG 83 94.222 11.202 -2.994 23 1HB ARG 83 2HB ARG 83 95.123 13.441 -3.656 24 2HB ARG 83 1HB ARG 83 93.451 13.469 -3.114 25 1HG ARG 83 2HG ARG 83 94.120 14.335 -0.963 26 2HG ARG 83 1HG ARG 83 95.823 14.213 -1.414 27 1HD ARG 83 2HD ARG 83 95.605 15.911 -3.047 28 2HD ARG 83 1HD ARG 83 93.844 15.868 -2.961 29 HE ARG 83 HE ARG 83 95.106 16.582 -0.479 30 1HH1 ARG 83 1HH1 ARG 83 93.910 17.786 -3.529 31 2HH1 ARG 83 2HH1 ARG 83 93.665 19.396 -2.940 32 1HH2 ARG 83 1HH2 ARG 83 94.784 18.699 0.297 33 2HH2 ARG 83 2HH2 ARG 83 94.163 19.915 -0.768 34 H CYS 84 H CYS 84 96.026 12.364 -0.212 35 HA CYS 84 HA CYS 84 98.581 11.758 -1.441 36 1HB CYS 84 2HB CYS 84 97.673 13.037 1.085 37 2HB CYS 84 1HB CYS 84 99.253 12.263 1.100 38 HG CYS 84 HG CYS 84 98.750 14.365 -1.102 39 H MET 85 H MET 85 99.913 10.063 -0.938 40 HA MET 85 HA MET 85 99.351 8.245 1.201 41 1HB MET 85 2HB MET 85 98.098 7.774 -1.324 42 2HB MET 85 1HB MET 85 99.314 6.530 -1.070 43 1HG MET 85 2HG MET 85 98.130 6.548 1.350 44 2HG MET 85 1HG MET 85 96.772 7.011 0.325 45 1HE MET 85 1HE MET 85 95.565 4.023 -1.271 46 2HE MET 85 2HE MET 85 95.468 5.744 -0.907 47 3HE MET 85 3HE MET 85 95.189 4.557 0.367 48 H LYS 86 H LYS 86 101.557 9.849 0.172 49 HA LYS 86 HA LYS 86 103.809 9.718 -0.117 50 1HB LYS 86 2HB LYS 86 103.553 6.839 0.752 51 2HB LYS 86 1HB LYS 86 104.966 7.877 0.885 52 1HG LYS 86 2HG LYS 86 103.101 9.286 2.291 53 2HG LYS 86 1HG LYS 86 102.652 7.617 2.645 54 1HD LYS 86 2HD LYS 86 104.506 7.248 3.871 55 2HD LYS 86 1HD LYS 86 105.534 8.174 2.775 56 1HE LYS 86 2HE LYS 86 105.290 10.080 3.954 57 2HE LYS 86 1HE LYS 86 103.595 9.760 4.316 58 1HZ LYS 86 1HZ LYS 86 104.766 7.895 5.798 59 2HZ LYS 86 2HZ LYS 86 104.416 9.446 6.373 60 3HZ LYS 86 3HZ LYS 86 105.977 9.077 5.834 61 H ASP 87 H ASP 87 102.041 9.062 -2.337 62 HA ASP 87 HA ASP 87 103.016 6.873 -3.822 63 1HB ASP 87 2HB ASP 87 101.931 7.957 -5.754 64 2HB ASP 87 1HB ASP 87 100.879 7.935 -4.342 65 H ASP 88 H ASP 88 104.185 10.120 -3.376 66 HA ASP 88 HA ASP 88 106.121 9.827 -5.544 67 1HB ASP 88 2HB ASP 88 104.717 12.005 -4.649 68 2HB ASP 88 1HB ASP 88 106.281 12.241 -3.874 69 H SER 89 H SER 89 106.465 8.040 -3.430 70 HA SER 89 HA SER 89 108.714 9.124 -1.891 71 1HB SER 89 2HB SER 89 106.780 6.908 -1.484 72 2HB SER 89 1HB SER 89 108.416 6.645 -0.884 73 HG SER 89 HG SER 89 106.946 8.989 -0.302 74 H LYS 90 H LYS 90 108.911 8.505 -4.734 75 HA LYS 90 HA LYS 90 110.738 6.203 -4.697 76 1HB LYS 90 2HB LYS 90 108.750 6.439 -6.364 77 2HB LYS 90 1HB LYS 90 109.805 7.572 -7.199 78 1HG LYS 90 2HG LYS 90 111.485 5.484 -6.876 79 2HG LYS 90 1HG LYS 90 109.941 4.643 -7.012 80 1HD LYS 90 2HD LYS 90 110.306 4.803 -9.226 81 2HD LYS 90 1HD LYS 90 109.736 6.460 -9.024 82 1HE LYS 90 2HE LYS 90 112.367 6.707 -8.374 83 2HE LYS 90 1HE LYS 90 112.428 5.442 -9.601 84 1HZ LYS 90 1HZ LYS 90 111.755 8.253 -9.868 85 2HZ LYS 90 2HZ LYS 90 110.797 7.189 -10.769 86 3HZ LYS 90 3HZ LYS 90 112.475 7.199 -10.980 87 H GLY 91 H GLY 91 111.604 8.620 -3.558 88 1HA GLY 91 2HA GLY 91 113.405 9.761 -5.582 89 2HA GLY 91 1HA GLY 91 113.018 10.491 -4.032 90 H LYS 92 H LYS 92 115.471 9.207 -5.655 91 HA LYS 92 HA LYS 92 116.587 7.359 -3.806 92 1HB LYS 92 2HB LYS 92 117.220 8.323 -6.373 93 2HB LYS 92 1HB LYS 92 118.602 8.721 -5.361 94 1HG LYS 92 2HG LYS 92 117.941 6.098 -4.686 95 2HG LYS 92 1HG LYS 92 117.784 6.181 -6.441 96 1HD LYS 92 2HD LYS 92 120.174 7.482 -5.308 97 2HD LYS 92 1HD LYS 92 120.114 5.725 -5.150 98 1HE LYS 92 2HE LYS 92 121.212 6.150 -7.193 99 2HE LYS 92 1HE LYS 92 119.575 5.657 -7.622 100 1HZ LYS 92 1HZ LYS 92 120.120 7.529 -8.939 101 2HZ LYS 92 2HZ LYS 92 120.683 8.407 -7.607 102 3HZ LYS 92 3HZ LYS 92 119.031 8.076 -7.764 103 H THR 93 H THR 93 116.793 8.087 -1.752 104 HA THR 93 HA THR 93 118.132 10.655 -1.296 105 HB THR 93 HB THR 93 117.452 10.021 1.163 106 HG1 THR 93 HG1 THR 93 115.747 8.644 1.295 107 1HG2 THR 93 1HG2 THR 93 115.223 10.988 0.867 108 2HG2 THR 93 2HG2 THR 93 115.397 10.828 -0.881 109 3HG2 THR 93 3HG2 THR 93 116.467 11.904 0.017 110 H GLU 94 H GLU 94 119.411 10.484 0.966 111 HA GLU 94 HA GLU 94 121.762 9.060 0.387 112 1HB GLU 94 2HB GLU 94 120.787 10.808 2.511 113 2HB GLU 94 1HB GLU 94 121.875 9.565 3.110 114 1HG GLU 94 2HG GLU 94 123.528 10.921 2.526 115 2HG GLU 94 1HG GLU 94 123.158 10.486 0.858 116 H GLU 95 H GLU 95 118.957 8.270 2.328 117 HA GLU 95 HA GLU 95 119.988 6.124 3.790 118 1HB GLU 95 2HB GLU 95 117.665 5.390 4.036 119 2HB GLU 95 1HB GLU 95 117.812 7.126 4.268 120 1HG GLU 95 2HG GLU 95 116.175 7.377 2.805 121 2HG GLU 95 1HG GLU 95 117.289 6.823 1.557 122 H GLU 96 H GLU 96 119.090 6.367 0.449 123 HA GLU 96 HA GLU 96 118.590 3.703 -0.182 124 1HB GLU 96 2HB GLU 96 119.984 5.773 -1.888 125 2HB GLU 96 1HB GLU 96 119.240 4.291 -2.474 126 1HG GLU 96 2HG GLU 96 117.601 6.247 -0.936 127 2HG GLU 96 1HG GLU 96 117.973 6.557 -2.631 128 H LEU 97 H LEU 97 121.654 5.432 0.116 129 HA LEU 97 HA LEU 97 123.357 3.465 -0.895 130 1HB LEU 97 2HB LEU 97 123.679 5.730 1.021 131 2HB LEU 97 1HB LEU 97 124.984 4.568 0.867 132 HG LEU 97 HG LEU 97 123.833 6.234 -1.374 133 1HD1 LEU 97 1HD1 LEU 97 126.429 6.413 0.143 134 2HD1 LEU 97 2HD1 LEU 97 125.124 7.597 0.122 135 3HD1 LEU 97 3HD1 LEU 97 126.071 7.301 -1.337 136 1HD2 LEU 97 1HD2 LEU 97 126.004 4.152 -1.308 137 2HD2 LEU 97 2HD2 LEU 97 125.857 5.347 -2.596 138 3HD2 LEU 97 3HD2 LEU 97 124.558 4.188 -2.317 139 H SER 98 H SER 98 121.703 3.683 2.151 140 HA SER 98 HA SER 98 123.264 2.000 3.729 141 1HB SER 98 2HB SER 98 121.331 3.358 4.542 142 2HB SER 98 1HB SER 98 120.243 2.204 3.769 143 HG SER 98 HG SER 98 120.385 1.304 5.686 144 H ASP 99 H ASP 99 121.016 1.268 1.164 145 HA ASP 99 HA ASP 99 120.839 -1.536 1.772 146 1HB ASP 99 2HB ASP 99 119.200 0.039 0.414 147 2HB ASP 99 1HB ASP 99 120.202 -0.465 -0.944 148 H LEU 100 H LEU 100 122.682 0.482 -0.462 149 HA LEU 100 HA LEU 100 123.887 -1.679 -1.866 150 1HB LEU 100 2HB LEU 100 124.323 1.261 -1.679 151 2HB LEU 100 1HB LEU 100 125.620 0.281 -2.336 152 HG LEU 100 HG LEU 100 122.933 -0.193 -3.481 153 1HD1 LEU 100 1HD1 LEU 100 124.263 2.442 -3.516 154 2HD1 LEU 100 2HD1 LEU 100 122.560 2.024 -3.697 155 3HD1 LEU 100 3HD1 LEU 100 123.663 1.840 -5.060 156 1HD2 LEU 100 1HD2 LEU 100 125.376 0.360 -5.069 157 2HD2 LEU 100 2HD2 LEU 100 124.108 -0.842 -5.317 158 3HD2 LEU 100 3HD2 LEU 100 125.349 -1.107 -4.092 159 H PHE 101 H PHE 101 124.675 0.096 1.038 160 HA PHE 101 HA PHE 101 127.366 -0.816 1.252 161 1HB PHE 101 2HB PHE 101 126.638 1.212 2.390 162 2HB PHE 101 1HB PHE 101 125.485 0.289 3.348 163 HD1 PHE 101 HD1 PHE 101 129.124 0.050 2.531 164 HD2 PHE 101 HD2 PHE 101 126.102 -0.011 5.526 165 HE1 PHE 101 HE1 PHE 101 130.844 -0.306 4.253 166 HE2 PHE 101 HE2 PHE 101 127.817 -0.365 7.255 167 HZ PHE 101 HZ PHE 101 130.192 -0.512 6.619 168 H ARG 102 H ARG 102 124.269 -2.113 2.155 169 HA ARG 102 HA ARG 102 125.082 -3.943 4.120 170 1HB ARG 102 2HB ARG 102 122.720 -3.571 2.390 171 2HB ARG 102 1HB ARG 102 122.974 -5.212 2.967 172 1HG ARG 102 2HG ARG 102 122.495 -4.682 5.111 173 2HG ARG 102 1HG ARG 102 123.181 -3.062 4.980 174 1HD ARG 102 2HD ARG 102 120.958 -2.543 5.126 175 2HD ARG 102 1HD ARG 102 121.126 -2.687 3.378 176 HE ARG 102 HE ARG 102 119.775 -4.535 3.433 177 1HH1 ARG 102 1HH1 ARG 102 120.848 -3.822 6.676 178 2HH1 ARG 102 2HH1 ARG 102 119.796 -4.983 7.413 179 1HH2 ARG 102 1HH2 ARG 102 118.390 -6.061 4.400 180 2HH2 ARG 102 2HH2 ARG 102 118.401 -6.253 6.121 181 H MET 103 H MET 103 124.566 -4.444 0.625 182 HA MET 103 HA MET 103 125.297 -7.114 0.497 183 1HB MET 103 2HB MET 103 125.998 -6.541 -1.898 184 2HB MET 103 1HB MET 103 124.332 -6.220 -1.441 185 1HG MET 103 2HG MET 103 124.757 -3.886 -1.242 186 2HG MET 103 1HG MET 103 126.492 -4.131 -1.423 187 1HE MET 103 1HE MET 103 126.906 -5.323 -4.988 188 2HE MET 103 2HE MET 103 127.430 -5.435 -3.308 189 3HE MET 103 3HE MET 103 127.610 -3.919 -4.189 190 H PHE 104 H PHE 104 127.341 -4.236 0.308 191 HA PHE 104 HA PHE 104 129.760 -5.502 -0.293 192 1HB PHE 104 2HB PHE 104 128.953 -2.890 0.837 193 2HB PHE 104 1HB PHE 104 130.604 -3.397 1.180 194 HD1 PHE 104 HD1 PHE 104 132.214 -3.694 -0.627 195 HD2 PHE 104 HD2 PHE 104 128.263 -2.302 -1.382 196 HE1 PHE 104 HE1 PHE 104 132.915 -2.927 -2.857 197 HE2 PHE 104 HE2 PHE 104 128.957 -1.532 -3.613 198 HZ PHE 104 HZ PHE 104 131.284 -1.844 -4.354 199 H ASP 105 H ASP 105 128.159 -4.918 2.792 200 HA ASP 105 HA ASP 105 130.341 -5.895 4.369 201 1HB ASP 105 2HB ASP 105 128.110 -4.395 4.909 202 2HB ASP 105 1HB ASP 105 127.668 -5.957 5.594 203 H LYS 106 H LYS 106 130.316 -7.821 5.664 204 HA LYS 106 HA LYS 106 129.202 -10.077 4.217 205 1HB LYS 106 2HB LYS 106 131.596 -9.769 5.364 206 2HB LYS 106 1HB LYS 106 130.740 -10.465 6.733 207 1HG LYS 106 2HG LYS 106 131.891 -12.170 5.429 208 2HG LYS 106 1HG LYS 106 130.144 -12.406 5.399 209 1HD LYS 106 2HD LYS 106 131.038 -10.715 3.221 210 2HD LYS 106 1HD LYS 106 131.847 -12.281 3.206 211 1HE LYS 106 2HE LYS 106 129.635 -13.380 3.351 212 2HE LYS 106 1HE LYS 106 128.872 -11.792 3.249 213 1HZ LYS 106 1HZ LYS 106 129.664 -11.494 1.067 214 2HZ LYS 106 2HZ LYS 106 129.048 -13.068 1.110 215 3HZ LYS 106 3HZ LYS 106 130.719 -12.814 1.171 216 H ASN 107 H ASN 107 129.224 -8.960 7.604 217 HA ASN 107 HA ASN 107 126.784 -10.534 8.056 218 1HB ASN 107 2HB ASN 107 127.326 -10.317 10.467 219 2HB ASN 107 1HB ASN 107 128.595 -11.126 9.553 220 1HD2 ASN 107 1HD2 ASN 107 128.395 -9.372 12.075 221 2HD2 ASN 107 2HD2 ASN 107 129.704 -8.260 11.882 222 H ALA 108 H ALA 108 127.517 -7.506 7.180 223 HA ALA 108 HA ALA 108 126.493 -5.481 7.318 224 1HB ALA 108 1HB ALA 108 124.093 -6.844 8.487 225 2HB ALA 108 2HB ALA 108 124.553 -7.089 6.802 226 3HB ALA 108 3HB ALA 108 124.166 -5.470 7.384 227 H ASP 109 H ASP 109 128.169 -5.421 9.206 228 HA ASP 109 HA ASP 109 126.841 -5.052 11.788 229 1HB ASP 109 2HB ASP 109 129.112 -4.953 12.723 230 2HB ASP 109 1HB ASP 109 128.872 -6.421 11.781 231 H GLY 110 H GLY 110 128.263 -3.273 9.184 232 1HA GLY 110 2HA GLY 110 127.426 -0.909 9.141 233 2HA GLY 110 1HA GLY 110 128.043 -0.796 10.781 234 H TYR 111 H TYR 111 130.382 -2.534 9.894 235 HA TYR 111 HA TYR 111 131.838 -0.503 8.344 236 1HB TYR 111 2HB TYR 111 132.950 -1.988 10.733 237 2HB TYR 111 1HB TYR 111 133.783 -0.767 9.777 238 HD1 TYR 111 HD1 TYR 111 133.788 1.421 10.532 239 HD2 TYR 111 HD2 TYR 111 130.694 -1.192 11.834 240 HE1 TYR 111 HE1 TYR 111 132.944 3.178 12.033 241 HE2 TYR 111 HE2 TYR 111 129.842 0.556 13.337 242 HH TYR 111 HH TYR 111 129.922 3.053 13.492 243 H ILE 112 H ILE 112 133.538 -1.269 7.042 244 HA ILE 112 HA ILE 112 133.687 -4.194 6.743 245 HB ILE 112 HB ILE 112 133.708 -2.272 4.419 246 1HG1 ILE 112 2HG1 ILE 112 131.438 -4.032 5.372 247 2HG1 ILE 112 1HG1 ILE 112 131.501 -2.282 5.548 248 1HG2 ILE 112 1HG2 ILE 112 134.880 -4.482 4.206 249 2HG2 ILE 112 2HG2 ILE 112 133.584 -4.207 3.042 250 3HG2 ILE 112 3HG2 ILE 112 133.311 -5.256 4.433 251 1HD1 ILE 112 1HD1 ILE 112 131.322 -1.950 3.222 252 2HD1 ILE 112 2HD1 ILE 112 130.115 -3.163 3.646 253 3HD1 ILE 112 3HD1 ILE 112 131.628 -3.652 2.882 254 H ASP 113 H ASP 113 135.674 -5.036 6.143 255 HA ASP 113 HA ASP 113 137.898 -3.135 5.884 256 1HB ASP 113 2HB ASP 113 139.275 -4.531 7.367 257 2HB ASP 113 1HB ASP 113 137.859 -3.909 8.208 258 H LEU 114 H LEU 114 139.996 -4.591 5.421 259 HA LEU 114 HA LEU 114 139.684 -5.597 2.837 260 1HB LEU 114 2HB LEU 114 141.801 -4.770 4.004 261 2HB LEU 114 1HB LEU 114 141.922 -6.379 4.690 262 HG LEU 114 HG LEU 114 141.652 -6.964 2.042 263 1HD1 LEU 114 1HD1 LEU 114 143.254 -4.417 2.225 264 2HD1 LEU 114 2HD1 LEU 114 141.722 -4.628 1.378 265 3HD1 LEU 114 3HD1 LEU 114 143.165 -5.475 0.818 266 1HD2 LEU 114 1HD2 LEU 114 144.288 -6.365 3.368 267 2HD2 LEU 114 2HD2 LEU 114 143.959 -7.545 2.100 268 3HD2 LEU 114 3HD2 LEU 114 143.317 -7.793 3.725 269 H GLU 115 H GLU 115 139.529 -7.184 5.946 270 HA GLU 115 HA GLU 115 139.740 -9.849 5.003 271 1HB GLU 115 2HB GLU 115 139.887 -8.832 7.434 272 2HB GLU 115 1HB GLU 115 138.165 -9.185 7.454 273 1HG GLU 115 2HG GLU 115 139.019 -11.538 6.591 274 2HG GLU 115 1HG GLU 115 140.484 -11.027 7.425 275 H GLU 116 H GLU 116 136.880 -8.033 6.127 276 HA GLU 116 HA GLU 116 134.982 -9.924 5.332 277 1HB GLU 116 2HB GLU 116 134.985 -7.255 6.385 278 2HB GLU 116 1HB GLU 116 133.802 -7.361 5.089 279 1HG GLU 116 2HG GLU 116 132.391 -8.242 6.542 280 2HG GLU 116 1HG GLU 116 133.426 -9.669 6.603 281 H LEU 117 H LEU 117 136.585 -7.381 3.538 282 HA LEU 117 HA LEU 117 134.848 -7.460 1.278 283 1HB LEU 117 2HB LEU 117 136.725 -5.724 2.112 284 2HB LEU 117 1HB LEU 117 137.664 -6.607 0.925 285 HG LEU 117 HG LEU 117 135.913 -6.086 -0.773 286 1HD1 LEU 117 1HD1 LEU 117 134.035 -4.927 -0.324 287 2HD1 LEU 117 2HD1 LEU 117 134.822 -3.912 0.886 288 3HD1 LEU 117 3HD1 LEU 117 134.294 -5.542 1.310 289 1HD2 LEU 117 1HD2 LEU 117 136.845 -3.504 0.401 290 2HD2 LEU 117 2HD2 LEU 117 136.810 -4.026 -1.284 291 3HD2 LEU 117 3HD2 LEU 117 138.024 -4.678 -0.184 292 H LYS 118 H LYS 118 137.843 -9.087 2.159 293 HA LYS 118 HA LYS 118 138.429 -10.226 -0.339 294 1HB LYS 118 2HB LYS 118 139.590 -10.236 2.168 295 2HB LYS 118 1HB LYS 118 139.126 -11.916 1.941 296 1HG LYS 118 2HG LYS 118 140.519 -10.570 -0.301 297 2HG LYS 118 1HG LYS 118 141.463 -10.962 1.137 298 1HD LYS 118 2HD LYS 118 140.122 -13.280 0.779 299 2HD LYS 118 1HD LYS 118 140.269 -12.733 -0.892 300 1HE LYS 118 2HE LYS 118 142.760 -12.305 -0.214 301 2HE LYS 118 1HE LYS 118 142.401 -13.462 1.066 302 1HZ LYS 118 1HZ LYS 118 142.191 -13.915 -1.859 303 2HZ LYS 118 2HZ LYS 118 141.642 -15.011 -0.694 304 3HZ LYS 118 3HZ LYS 118 143.289 -14.635 -0.791 305 H ILE 119 H ILE 119 136.143 -11.103 2.131 306 HA ILE 119 HA ILE 119 135.698 -13.779 1.263 307 HB ILE 119 HB ILE 119 133.783 -12.017 2.794 308 1HG1 ILE 119 2HG1 ILE 119 135.919 -13.866 3.880 309 2HG1 ILE 119 1HG1 ILE 119 136.043 -12.110 3.839 310 1HG2 ILE 119 1HG2 ILE 119 133.122 -14.285 3.744 311 2HG2 ILE 119 2HG2 ILE 119 134.022 -14.984 2.398 312 3HG2 ILE 119 3HG2 ILE 119 132.637 -13.939 2.084 313 1HD1 ILE 119 1HD1 ILE 119 134.236 -11.883 5.380 314 2HD1 ILE 119 2HD1 ILE 119 135.383 -13.051 6.039 315 3HD1 ILE 119 3HD1 ILE 119 133.883 -13.609 5.297 316 H MET 120 H MET 120 133.754 -10.807 0.892 317 HA MET 120 HA MET 120 131.814 -11.904 -0.798 318 1HB MET 120 2HB MET 120 131.322 -9.562 -1.434 319 2HB MET 120 1HB MET 120 131.458 -9.778 0.305 320 1HG MET 120 2HG MET 120 133.370 -8.554 0.452 321 2HG MET 120 1HG MET 120 133.883 -8.951 -1.187 322 1HE MET 120 1HE MET 120 133.158 -6.429 -3.310 323 2HE MET 120 2HE MET 120 131.634 -7.314 -3.395 324 3HE MET 120 3HE MET 120 133.147 -8.183 -3.131 325 H LEU 121 H LEU 121 135.006 -10.651 -1.463 326 HA LEU 121 HA LEU 121 134.675 -10.459 -4.292 327 1HB LEU 121 2HB LEU 121 137.103 -10.536 -2.512 328 2HB LEU 121 1HB LEU 121 137.216 -10.406 -4.257 329 HG LEU 121 HG LEU 121 135.689 -8.424 -2.579 330 1HD1 LEU 121 1HD1 LEU 121 138.340 -8.777 -2.284 331 2HD1 LEU 121 2HD1 LEU 121 137.539 -7.211 -2.155 332 3HD1 LEU 121 3HD1 LEU 121 138.325 -7.679 -3.664 333 1HD2 LEU 121 1HD2 LEU 121 136.927 -7.710 -5.156 334 2HD2 LEU 121 2HD2 LEU 121 135.363 -7.255 -4.480 335 3HD2 LEU 121 3HD2 LEU 121 135.571 -8.835 -5.236 336 H GLN 122 H GLN 122 135.557 -12.998 -2.081 337 HA GLN 122 HA GLN 122 136.842 -14.745 -3.863 338 1HB GLN 122 2HB GLN 122 135.240 -15.257 -1.358 339 2HB GLN 122 1HB GLN 122 136.077 -16.532 -2.233 340 1HG GLN 122 2HG GLN 122 137.814 -14.282 -1.693 341 2HG GLN 122 1HG GLN 122 137.108 -14.941 -0.218 342 1HE2 GLN 122 1HE2 GLN 122 137.348 -17.252 0.141 343 2HE2 GLN 122 2HE2 GLN 122 138.765 -18.050 -0.441 344 H ALA 123 H ALA 123 133.466 -14.055 -3.308 345 HA ALA 123 HA ALA 123 132.380 -16.340 -4.569 346 1HB ALA 123 1HB ALA 123 130.303 -15.263 -4.443 347 2HB ALA 123 2HB ALA 123 131.033 -13.659 -4.495 348 3HB ALA 123 3HB ALA 123 131.203 -14.658 -3.052 349 H THR 124 H THR 124 133.121 -13.081 -5.774 350 HA THR 124 HA THR 124 132.128 -13.401 -8.367 351 HB THR 124 HB THR 124 133.692 -11.556 -8.973 352 HG1 THR 124 HG1 THR 124 135.382 -12.221 -7.523 353 1HG2 THR 124 1HG2 THR 124 131.553 -11.421 -7.199 354 2HG2 THR 124 2HG2 THR 124 132.274 -10.096 -8.113 355 3HG2 THR 124 3HG2 THR 124 132.825 -10.438 -6.473 356 H GLY 125 H GLY 125 133.139 -13.899 -10.343 357 1HA GLY 125 2HA GLY 125 135.313 -15.841 -10.058 358 2HA GLY 125 1HA GLY 125 134.251 -15.674 -11.448 359 H GLU 126 H GLU 126 135.836 -12.945 -9.939 360 HA GLU 126 HA GLU 126 137.291 -12.484 -12.434 361 1HB GLU 126 2HB GLU 126 136.853 -10.630 -10.085 362 2HB GLU 126 1HB GLU 126 137.590 -10.195 -11.621 363 1HG GLU 126 2HG GLU 126 135.160 -11.270 -12.356 364 2HG GLU 126 1HG GLU 126 134.792 -10.377 -10.881 365 H THR 127 H THR 127 139.424 -11.093 -11.865 366 HA THR 127 HA THR 127 141.018 -12.856 -10.129 367 HB THR 127 HB THR 127 142.945 -12.247 -11.480 368 HG1 THR 127 HG1 THR 127 141.154 -10.633 -12.971 369 1HG2 THR 127 1HG2 THR 127 141.724 -12.755 -13.863 370 2HG2 THR 127 2HG2 THR 127 140.585 -13.439 -12.701 371 3HG2 THR 127 3HG2 THR 127 142.266 -13.972 -12.708 372 H ILE 128 H ILE 128 140.867 -11.837 -8.172 373 HA ILE 128 HA ILE 128 141.769 -9.035 -8.054 374 HB ILE 128 HB ILE 128 140.237 -10.501 -5.911 375 1HG1 ILE 128 2HG1 ILE 128 138.897 -10.343 -7.982 376 2HG1 ILE 128 1HG1 ILE 128 138.240 -9.339 -6.693 377 1HG2 ILE 128 1HG2 ILE 128 139.829 -8.281 -5.020 378 2HG2 ILE 128 2HG2 ILE 128 140.727 -7.561 -6.356 379 3HG2 ILE 128 3HG2 ILE 128 141.561 -8.573 -5.178 380 1HD1 ILE 128 1HD1 ILE 128 140.078 -8.191 -8.753 381 2HD1 ILE 128 2HD1 ILE 128 138.898 -7.371 -7.731 382 3HD1 ILE 128 3HD1 ILE 128 138.354 -8.383 -9.068 383 H THR 129 H THR 129 143.270 -8.423 -6.460 384 HA THR 129 HA THR 129 144.704 -10.636 -5.153 385 HB THR 129 HB THR 129 146.826 -9.611 -5.668 386 HG1 THR 129 HG1 THR 129 147.009 -7.670 -6.599 387 1HG2 THR 129 1HG2 THR 129 146.971 -10.434 -7.720 388 2HG2 THR 129 2HG2 THR 129 145.821 -9.261 -8.360 389 3HG2 THR 129 3HG2 THR 129 145.239 -10.746 -7.607 390 H GLU 130 H GLU 130 146.151 -9.847 -3.366 391 HA GLU 130 HA GLU 130 144.667 -8.445 -1.460 392 1HB GLU 130 2HB GLU 130 147.483 -9.389 -1.664 393 2HB GLU 130 1HB GLU 130 147.107 -8.214 -0.411 394 1HG GLU 130 2HG GLU 130 145.094 -10.134 -0.240 395 2HG GLU 130 1HG GLU 130 146.582 -11.041 -0.500 396 H ASP 131 H ASP 131 146.985 -7.341 -3.825 397 HA ASP 131 HA ASP 131 147.323 -4.737 -2.672 398 1HB ASP 131 2HB ASP 131 148.362 -6.214 -4.966 399 2HB ASP 131 1HB ASP 131 148.054 -4.520 -5.337 400 H ASP 132 H ASP 132 145.193 -6.198 -5.026 401 HA ASP 132 HA ASP 132 144.168 -3.719 -6.037 402 1HB ASP 132 2HB ASP 132 143.867 -6.527 -6.621 403 2HB ASP 132 1HB ASP 132 142.284 -5.761 -6.525 404 H ILE 133 H ILE 133 143.167 -6.061 -3.596 405 HA ILE 133 HA ILE 133 140.621 -4.959 -3.074 406 HB ILE 133 HB ILE 133 142.372 -6.460 -1.125 407 1HG1 ILE 133 2HG1 ILE 133 140.239 -7.820 -2.694 408 2HG1 ILE 133 1HG1 ILE 133 141.739 -7.441 -3.534 409 1HG2 ILE 133 1HG2 ILE 133 139.839 -7.202 -0.578 410 2HG2 ILE 133 2HG2 ILE 133 139.572 -5.546 -1.124 411 3HG2 ILE 133 3HG2 ILE 133 140.666 -5.866 0.222 412 1HD1 ILE 133 1HD1 ILE 133 142.945 -8.946 -2.340 413 2HD1 ILE 133 2HD1 ILE 133 141.365 -9.728 -2.268 414 3HD1 ILE 133 3HD1 ILE 133 141.941 -8.777 -0.900 415 H GLU 134 H GLU 134 143.833 -4.157 -1.958 416 HA GLU 134 HA GLU 134 143.022 -2.527 0.232 417 1HB GLU 134 2HB GLU 134 145.525 -3.228 -1.119 418 2HB GLU 134 1HB GLU 134 145.500 -1.577 -0.513 419 1HG GLU 134 2HG GLU 134 145.010 -2.356 1.714 420 2HG GLU 134 1HG GLU 134 144.890 -4.018 1.138 421 H GLU 135 H GLU 135 143.506 -1.989 -3.185 422 HA GLU 135 HA GLU 135 143.679 0.810 -3.185 423 1HB GLU 135 2HB GLU 135 142.837 -1.235 -5.201 424 2HB GLU 135 1HB GLU 135 142.580 0.470 -5.547 425 1HG GLU 135 2HG GLU 135 145.115 0.637 -4.844 426 2HG GLU 135 1HG GLU 135 145.111 -1.063 -5.310 427 H LEU 136 H LEU 136 140.883 -1.352 -3.256 428 HA LEU 136 HA LEU 136 138.900 0.574 -3.695 429 1HB LEU 136 2HB LEU 136 138.971 -2.162 -2.531 430 2HB LEU 136 1HB LEU 136 137.537 -1.194 -2.240 431 HG LEU 136 HG LEU 136 137.744 -0.864 -4.900 432 1HD1 LEU 136 1HD1 LEU 136 139.312 -3.277 -4.222 433 2HD1 LEU 136 2HD1 LEU 136 139.451 -2.178 -5.593 434 3HD1 LEU 136 3HD1 LEU 136 138.187 -3.408 -5.574 435 1HD2 LEU 136 1HD2 LEU 136 135.833 -2.076 -4.998 436 2HD2 LEU 136 2HD2 LEU 136 135.964 -1.971 -3.242 437 3HD2 LEU 136 3HD2 LEU 136 136.509 -3.423 -4.080 438 H MET 137 H MET 137 140.415 -0.560 -0.714 439 HA MET 137 HA MET 137 138.719 0.998 0.994 440 1HB MET 137 2HB MET 137 141.394 -0.248 1.642 441 2HB MET 137 1HB MET 137 140.171 0.274 2.790 442 1HG MET 137 2HG MET 137 138.874 -1.523 1.093 443 2HG MET 137 1HG MET 137 140.451 -2.238 1.425 444 1HE MET 137 1HE MET 137 137.182 -1.059 4.325 445 2HE MET 137 2HE MET 137 136.766 -2.287 3.128 446 3HE MET 137 3HE MET 137 137.343 -0.704 2.605 447 H LYS 138 H LYS 138 141.719 1.510 -0.686 448 HA LYS 138 HA LYS 138 142.818 3.594 0.796 449 1HB LYS 138 2HB LYS 138 143.524 2.293 -1.475 450 2HB LYS 138 1HB LYS 138 143.014 3.837 -2.144 451 1HG LYS 138 2HG LYS 138 144.584 4.994 -0.666 452 2HG LYS 138 1HG LYS 138 145.101 3.440 -0.009 453 1HD LYS 138 2HD LYS 138 145.452 2.953 -2.621 454 2HD LYS 138 1HD LYS 138 145.704 4.700 -2.617 455 1HE LYS 138 2HE LYS 138 147.200 4.027 -0.496 456 2HE LYS 138 1HE LYS 138 147.333 2.536 -1.429 457 1HZ LYS 138 1HZ LYS 138 148.525 3.545 -3.043 458 2HZ LYS 138 2HZ LYS 138 148.946 4.592 -1.784 459 3HZ LYS 138 3HZ LYS 138 147.734 5.033 -2.877 460 H ASP 139 H ASP 139 140.842 3.923 -2.160 461 HA ASP 139 HA ASP 139 140.395 6.712 -1.675 462 1HB ASP 139 2HB ASP 139 139.163 6.715 -3.716 463 2HB ASP 139 1HB ASP 139 140.536 5.641 -3.956 464 H GLY 140 H GLY 140 138.855 3.814 -0.685 465 1HA GLY 140 2HA GLY 140 136.221 4.893 -0.353 466 2HA GLY 140 1HA GLY 140 136.820 3.384 0.318 467 H ASP 141 H ASP 141 139.100 4.753 1.614 468 HA ASP 141 HA ASP 141 137.735 5.456 4.052 469 1HB ASP 141 2HB ASP 141 140.036 4.185 3.657 470 2HB ASP 141 1HB ASP 141 140.680 5.820 3.751 471 H LYS 142 H LYS 142 137.706 7.436 5.078 472 HA LYS 142 HA LYS 142 138.528 9.728 3.420 473 1HB LYS 142 2HB LYS 142 136.315 9.691 5.474 474 2HB LYS 142 1HB LYS 142 136.694 10.986 4.346 475 1HG LYS 142 2HG LYS 142 135.735 8.241 3.565 476 2HG LYS 142 1HG LYS 142 134.721 9.681 3.680 477 1HD LYS 142 2HD LYS 142 137.133 9.985 2.027 478 2HD LYS 142 1HD LYS 142 135.945 8.837 1.408 479 1HE LYS 142 2HE LYS 142 134.384 10.446 1.029 480 2HE LYS 142 1HE LYS 142 134.926 11.444 2.377 481 1HZ LYS 142 1HZ LYS 142 137.007 11.753 0.866 482 2HZ LYS 142 2HZ LYS 142 135.617 12.678 0.600 483 3HZ LYS 142 3HZ LYS 142 135.936 11.334 -0.375 484 H ASN 143 H ASN 143 138.443 8.370 6.655 485 HA ASN 143 HA ASN 143 140.227 10.538 7.551 486 1HB ASN 143 2HB ASN 143 139.442 9.830 9.889 487 2HB ASN 143 1HB ASN 143 138.294 10.710 8.884 488 1HD2 ASN 143 1HD2 ASN 143 136.758 9.369 7.642 489 2HD2 ASN 143 2HD2 ASN 143 136.150 7.932 8.386 490 H ASN 144 H ASN 144 140.862 7.952 6.197 491 HA ASN 144 HA ASN 144 142.229 6.129 6.398 492 1HB ASN 144 2HB ASN 144 144.432 6.673 7.302 493 2HB ASN 144 1HB ASN 144 143.811 8.013 6.345 494 1HD2 ASN 144 1HD2 ASN 144 144.953 6.998 9.378 495 2HD2 ASN 144 2HD2 ASN 144 144.740 8.489 10.222 496 H ASP 145 H ASP 145 140.221 5.531 7.970 497 HA ASP 145 HA ASP 145 141.162 4.978 10.668 498 1HB ASP 145 2HB ASP 145 138.879 4.155 11.068 499 2HB ASP 145 1HB ASP 145 138.863 5.776 10.379 500 H GLY 146 H GLY 146 140.598 3.336 7.644 501 1HA GLY 146 2HA GLY 146 141.944 1.321 7.266 502 2HA GLY 146 1HA GLY 146 141.542 0.835 8.906 503 H ARG 147 H ARG 147 138.725 1.823 8.446 504 HA ARG 147 HA ARG 147 137.794 -0.343 6.686 505 1HB ARG 147 2HB ARG 147 136.525 0.441 9.316 506 2HB ARG 147 1HB ARG 147 136.007 -0.857 8.248 507 1HG ARG 147 2HG ARG 147 138.212 -1.957 8.637 508 2HG ARG 147 1HG ARG 147 138.553 -0.717 9.843 509 1HD ARG 147 2HD ARG 147 136.047 -1.613 10.555 510 2HD ARG 147 1HD ARG 147 136.858 -3.081 10.014 511 HE ARG 147 HE ARG 147 137.425 -1.557 12.381 512 1HH1 ARG 147 1HH1 ARG 147 138.729 -3.797 10.046 513 2HH1 ARG 147 2HH1 ARG 147 139.941 -4.408 11.122 514 1HH2 ARG 147 1HH2 ARG 147 139.018 -2.357 13.798 515 2HH2 ARG 147 2HH2 ARG 147 140.105 -3.591 13.252 516 H ILE 148 H ILE 148 135.317 -0.044 6.305 517 HA ILE 148 HA ILE 148 134.773 2.815 5.830 518 HB ILE 148 HB ILE 148 133.953 0.583 3.974 519 1HG1 ILE 148 2HG1 ILE 148 136.238 2.548 3.686 520 2HG1 ILE 148 1HG1 ILE 148 136.406 0.823 3.998 521 1HG2 ILE 148 1HG2 ILE 148 132.480 2.436 3.789 522 2HG2 ILE 148 2HG2 ILE 148 133.582 2.519 2.414 523 3HG2 ILE 148 3HG2 ILE 148 133.818 3.585 3.799 524 1HD1 ILE 148 1HD1 ILE 148 135.509 0.287 1.849 525 2HD1 ILE 148 2HD1 ILE 148 136.795 1.475 1.641 526 3HD1 ILE 148 3HD1 ILE 148 135.107 1.977 1.544 527 H ASP 149 H ASP 149 132.744 3.531 6.276 528 HA ASP 149 HA ASP 149 130.708 1.544 7.003 529 1HB ASP 149 2HB ASP 149 130.092 2.840 8.986 530 2HB ASP 149 1HB ASP 149 131.773 2.324 9.079 531 H TYR 150 H TYR 150 128.641 3.115 7.690 532 HA TYR 150 HA TYR 150 127.576 3.962 5.274 533 1HB TYR 150 2HB TYR 150 126.298 3.403 7.363 534 2HB TYR 150 1HB TYR 150 126.749 4.982 7.995 535 HD1 TYR 150 HD1 TYR 150 125.161 6.635 7.806 536 HD2 TYR 150 HD2 TYR 150 125.271 3.570 4.860 537 HE1 TYR 150 HE1 TYR 150 123.208 7.639 6.699 538 HE2 TYR 150 HE2 TYR 150 123.319 4.564 3.743 539 HH TYR 150 HH TYR 150 122.148 6.637 3.580 540 H ASP 151 H ASP 151 129.085 5.897 7.838 541 HA ASP 151 HA ASP 151 128.625 8.422 6.735 542 1HB ASP 151 2HB ASP 151 130.597 7.304 8.674 543 2HB ASP 151 1HB ASP 151 130.895 8.912 8.023 544 H GLU 152 H GLU 152 131.443 6.278 6.377 545 HA GLU 152 HA GLU 152 132.820 8.006 4.591 546 1HB GLU 152 2HB GLU 152 133.157 5.033 5.021 547 2HB GLU 152 1HB GLU 152 134.299 6.087 4.198 548 1HG GLU 152 2HG GLU 152 134.756 7.275 6.227 549 2HG GLU 152 1HG GLU 152 133.482 6.401 7.076 550 H PHE 153 H PHE 153 130.782 5.145 4.120 551 HA PHE 153 HA PHE 153 131.099 4.909 1.349 552 1HB PHE 153 2HB PHE 153 129.842 3.422 3.190 553 2HB PHE 153 1HB PHE 153 128.445 4.257 2.518 554 HD1 PHE 153 HD1 PHE 153 127.950 4.046 0.083 555 HD2 PHE 153 HD2 PHE 153 130.901 1.674 2.022 556 HE1 PHE 153 HE1 PHE 153 127.897 2.455 -1.794 557 HE2 PHE 153 HE2 PHE 153 130.856 0.078 0.150 558 HZ PHE 153 HZ PHE 153 129.352 0.468 -1.761 559 H LEU 154 H LEU 154 129.084 7.018 3.271 560 HA LEU 154 HA LEU 154 127.375 7.850 1.150 561 1HB LEU 154 2HB LEU 154 127.790 8.504 3.959 562 2HB LEU 154 1HB LEU 154 127.403 9.917 2.996 563 HG LEU 154 HG LEU 154 125.337 8.891 2.242 564 1HD1 LEU 154 1HD1 LEU 154 124.633 6.735 2.816 565 2HD1 LEU 154 2HD1 LEU 154 125.876 6.563 4.055 566 3HD1 LEU 154 3HD1 LEU 154 126.322 6.539 2.349 567 1HD2 LEU 154 1HD2 LEU 154 124.156 8.778 4.396 568 2HD2 LEU 154 2HD2 LEU 154 125.260 10.151 4.312 569 3HD2 LEU 154 3HD2 LEU 154 125.708 8.713 5.230 570 H GLU 155 H GLU 155 130.318 9.186 2.606 571 HA GLU 155 HA GLU 155 130.350 11.496 0.918 572 1HB GLU 155 2HB GLU 155 132.228 10.277 2.897 573 2HB GLU 155 1HB GLU 155 132.840 11.495 1.787 574 1HG GLU 155 2HG GLU 155 130.610 12.723 2.677 575 2HG GLU 155 1HG GLU 155 131.040 11.764 4.093 576 H PHE 156 H PHE 156 131.950 8.349 0.890 577 HA PHE 156 HA PHE 156 133.714 8.852 -1.242 578 1HB PHE 156 2HB PHE 156 133.970 6.927 0.252 579 2HB PHE 156 1HB PHE 156 132.468 6.239 -0.359 580 HD1 PHE 156 HD1 PHE 156 132.757 4.467 -1.770 581 HD2 PHE 156 HD2 PHE 156 135.602 7.631 -1.846 582 HE1 PHE 156 HE1 PHE 156 134.009 3.294 -3.532 583 HE2 PHE 156 HE2 PHE 156 136.859 6.462 -3.609 584 HZ PHE 156 HZ PHE 156 136.061 4.290 -4.455 585 H MET 157 H MET 157 130.465 7.410 -1.196 586 HA MET 157 HA MET 157 130.309 6.964 -3.980 587 1HB MET 157 2HB MET 157 128.390 7.008 -1.713 588 2HB MET 157 1HB MET 157 127.718 7.176 -3.329 589 1HG MET 157 2HG MET 157 129.565 4.944 -2.534 590 2HG MET 157 1HG MET 157 127.809 4.842 -2.419 591 1HE MET 157 1HE MET 157 129.465 2.827 -5.624 592 2HE MET 157 2HE MET 157 128.727 2.522 -4.051 593 3HE MET 157 3HE MET 157 130.307 3.298 -4.147 594 H LYS 158 H LYS 158 129.239 9.649 -1.933 595 HA LYS 158 HA LYS 158 128.207 11.132 -4.183 596 1HB LYS 158 2HB LYS 158 127.595 11.156 -1.554 597 2HB LYS 158 1HB LYS 158 128.704 12.519 -1.614 598 1HG LYS 158 2HG LYS 158 126.818 12.650 -3.785 599 2HG LYS 158 1HG LYS 158 125.986 12.509 -2.236 600 1HD LYS 158 2HD LYS 158 128.235 14.396 -2.250 601 2HD LYS 158 1HD LYS 158 126.895 14.842 -3.307 602 1HE LYS 158 2HE LYS 158 125.614 15.418 -1.577 603 2HE LYS 158 1HE LYS 158 125.958 13.910 -0.731 604 1HZ LYS 158 1HZ LYS 158 128.254 15.197 -0.385 605 2HZ LYS 158 2HZ LYS 158 126.962 15.302 0.702 606 3HZ LYS 158 3HZ LYS 158 127.200 16.520 -0.448 607 H GLY 159 H GLY 159 130.272 11.041 -5.378 608 1HA GLY 159 2HA GLY 159 131.733 12.719 -6.275 609 2HA GLY 159 1HA GLY 159 131.936 13.358 -4.650 610 H VAL 160 H VAL 160 132.640 10.536 -6.679 611 HA VAL 160 HA VAL 160 134.731 9.653 -4.878 612 HB VAL 160 HB VAL 160 134.060 8.564 -7.614 613 1HG1 VAL 160 1HG1 VAL 160 136.249 8.057 -6.118 614 2HG1 VAL 160 2HG1 VAL 160 135.514 6.888 -7.215 615 3HG1 VAL 160 3HG1 VAL 160 135.142 6.834 -5.492 616 1HG2 VAL 160 1HG2 VAL 160 133.126 7.272 -5.095 617 2HG2 VAL 160 2HG2 VAL 160 132.456 7.183 -6.724 618 3HG2 VAL 160 3HG2 VAL 160 132.213 8.632 -5.749 619 H GLU 161 H GLU 161 135.537 12.055 -5.447 620 HA GLU 161 HA GLU 161 137.452 11.835 -7.672 621 1HB GLU 161 2HB GLU 161 136.435 14.324 -6.287 622 2HB GLU 161 1HB GLU 161 137.551 14.284 -7.646 623 1HG GLU 161 2HG GLU 161 135.812 13.274 -9.040 624 2HG GLU 161 1HG GLU 161 134.695 13.334 -7.677
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