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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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6430 |
1j03 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY -1 H GLY -1 -10.932 -14.178 -10.547 2 1HA GLY -1 1HA GLY -1 -8.313 -14.131 -9.763 3 2HA GLY -1 2HA GLY -1 -8.543 -12.594 -10.574 4 HA PRO 0 HA PRO 0 -10.033 -12.077 -6.313 5 1HB PRO 0 1HB PRO 0 -8.453 -9.957 -5.619 6 2HB PRO 0 2HB PRO 0 -8.035 -11.621 -5.262 7 1HG PRO 0 1HG PRO 0 -6.918 -9.833 -7.334 8 2HG PRO 0 2HG PRO 0 -6.246 -11.316 -6.686 9 1HD PRO 0 1HD PRO 0 -7.548 -10.987 -9.220 10 2HD PRO 0 2HD PRO 0 -6.979 -12.490 -8.521 11 H MET 1 H MET 1 -10.270 -9.488 -5.268 12 HA MET 1 HA MET 1 -12.491 -8.699 -6.817 13 1HB MET 1 1HB MET 1 -11.041 -7.706 -4.337 14 2HB MET 1 2HB MET 1 -12.229 -6.654 -5.082 15 1HG MET 1 1HG MET 1 -13.936 -8.501 -4.924 16 2HG MET 1 2HG MET 1 -12.746 -9.514 -4.131 17 1HE MET 1 1HE MET 1 -15.547 -8.117 -3.792 18 2HE MET 1 2HE MET 1 -15.698 -8.138 -2.018 19 3HE MET 1 3HE MET 1 -15.543 -6.588 -2.881 20 H GLU 2 H GLU 2 -9.095 -7.657 -6.514 21 HA GLU 2 HA GLU 2 -7.912 -6.135 -7.521 22 1HB GLU 2 1HB GLU 2 -9.780 -6.058 -9.888 23 2HB GLU 2 2HB GLU 2 -8.028 -6.087 -9.863 24 1HG GLU 2 1HG GLU 2 -8.195 -8.473 -8.909 25 2HG GLU 2 2HG GLU 2 -9.912 -8.408 -9.254 26 H PHE 3 H PHE 3 -7.926 -4.142 -6.558 27 HA PHE 3 HA PHE 3 -10.294 -2.476 -7.016 28 1HB PHE 3 1HB PHE 3 -8.058 -2.580 -4.910 29 2HB PHE 3 2HB PHE 3 -9.189 -1.243 -4.985 30 HD1 PHE 3 1HD PHE 3 -8.919 -4.883 -4.405 31 HD2 PHE 3 2HD PHE 3 -11.369 -1.434 -4.073 32 HE1 PHE 3 1HE PHE 3 -10.530 -6.165 -2.969 33 HE2 PHE 3 2HE PHE 3 -12.980 -2.716 -2.637 34 HZ PHE 3 HZ PHE 3 -12.541 -5.066 -2.102 35 H THR 4 H THR 4 -10.112 -0.583 -8.154 36 HA THR 4 HA THR 4 -7.611 -0.040 -9.441 37 HB THR 4 HB THR 4 -8.966 1.640 -10.627 38 HG1 THR 4 1HG THR 4 -11.098 0.918 -8.782 39 1HG2 THR 4 1HG2 THR 4 -10.832 0.306 -11.438 40 2HG2 THR 4 2HG2 THR 4 -9.507 -0.834 -11.099 41 3HG2 THR 4 3HG2 THR 4 -10.854 -0.668 -9.948 42 H ALA 5 H ALA 5 -6.431 1.972 -9.381 43 HA ALA 5 HA ALA 5 -5.724 2.721 -6.828 44 1HB ALA 5 1HB ALA 5 -5.370 4.797 -8.896 45 2HB ALA 5 2HB ALA 5 -4.154 3.917 -7.939 46 3HB ALA 5 3HB ALA 5 -4.840 3.176 -9.405 47 H GLU 6 H GLU 6 -8.346 3.861 -8.937 48 HA GLU 6 HA GLU 6 -8.798 6.241 -7.524 49 1HB GLU 6 1HB GLU 6 -9.964 4.793 -9.768 50 2HB GLU 6 2HB GLU 6 -11.236 5.406 -8.728 51 1HG GLU 6 1HG GLU 6 -10.742 7.616 -9.182 52 2HG GLU 6 2HG GLU 6 -9.014 7.329 -9.257 53 H GLN 7 H GLN 7 -10.257 2.930 -7.402 54 HA GLN 7 HA GLN 7 -12.058 3.665 -5.358 55 1HB GLN 7 1HB GLN 7 -11.232 1.100 -6.707 56 2HB GLN 7 2HB GLN 7 -12.109 0.991 -5.194 57 1HG GLN 7 1HG GLN 7 -13.830 0.995 -6.825 58 2HG GLN 7 2HG GLN 7 -13.812 2.651 -6.252 59 1HE2 GLN 7 1HE2 GLN 7 -13.680 0.631 -8.909 60 2HE2 GLN 7 2HE2 GLN 7 -13.158 1.747 -10.127 61 H LEU 8 H LEU 8 -8.832 2.081 -5.514 62 HA LEU 8 HA LEU 8 -8.728 1.298 -2.833 63 1HB LEU 8 1HB LEU 8 -7.225 0.277 -4.266 64 2HB LEU 8 2HB LEU 8 -6.723 1.787 -5.000 65 HG LEU 8 HG LEU 8 -5.897 2.169 -2.421 66 1HD1 LEU 8 1HD1 LEU 8 -4.765 -0.493 -2.669 67 2HD1 LEU 8 2HD1 LEU 8 -5.533 0.301 -1.273 68 3HD1 LEU 8 3HD1 LEU 8 -6.534 -0.543 -2.479 69 1HD2 LEU 8 1HD2 LEU 8 -4.334 0.880 -4.675 70 2HD2 LEU 8 2HD2 LEU 8 -4.599 2.624 -4.433 71 3HD2 LEU 8 3HD2 LEU 8 -3.640 1.697 -3.254 72 H SER 9 H SER 9 -8.302 4.413 -4.459 73 HA SER 9 HA SER 9 -6.967 5.581 -2.246 74 1HB SER 9 1HB SER 9 -6.509 6.550 -4.379 75 2HB SER 9 2HB SER 9 -8.207 6.647 -4.802 76 HG SER 9 HG SER 9 -6.758 8.253 -2.888 77 H GLN 10 H GLN 10 -9.981 4.344 -2.425 78 HA GLN 10 HA GLN 10 -11.277 6.618 -1.173 79 1HB GLN 10 1HB GLN 10 -12.591 3.982 -1.922 80 2HB GLN 10 2HB GLN 10 -13.367 5.527 -1.638 81 1HG GLN 10 1HG GLN 10 -12.142 6.459 -3.652 82 2HG GLN 10 2HG GLN 10 -11.499 4.859 -3.961 83 1HE2 GLN 10 1HE2 GLN 10 -13.458 3.146 -3.560 84 2HE2 GLN 10 2HE2 GLN 10 -14.824 3.425 -4.587 85 H TYR 11 H TYR 11 -9.174 4.507 -0.091 86 HA TYR 11 HA TYR 11 -10.637 4.068 2.409 87 1HB TYR 11 1HB TYR 11 -8.711 2.115 1.013 88 2HB TYR 11 2HB TYR 11 -9.670 1.770 2.438 89 HD1 TYR 11 1HD TYR 11 -12.167 1.532 2.231 90 HD2 TYR 11 2HD TYR 11 -9.617 1.860 -1.188 91 HE1 TYR 11 1HE TYR 11 -14.016 0.603 0.753 92 HE2 TYR 11 2HE TYR 11 -11.474 0.929 -2.654 93 HH TYR 11 HH TYR 11 -14.683 0.628 -1.522 94 H ASN 12 H ASN 12 -8.874 6.230 1.826 95 HA ASN 12 HA ASN 12 -6.289 5.459 2.751 96 1HB ASN 12 1HB ASN 12 -5.636 7.611 2.116 97 2HB ASN 12 2HB ASN 12 -7.079 7.465 1.133 98 1HD2 ASN 12 1HD2 ASN 12 -9.165 7.938 2.515 99 2HD2 ASN 12 2HD2 ASN 12 -9.149 9.442 3.374 100 H GLY 13 H GLY 13 -9.176 5.606 4.280 101 1HA GLY 13 1HA GLY 13 -9.603 5.594 6.523 102 2HA GLY 13 2HA GLY 13 -8.008 6.244 6.849 103 H THR 14 H THR 14 -11.390 6.966 6.394 104 HA THR 14 HA THR 14 -11.255 9.456 7.573 105 HB THR 14 HB THR 14 -10.151 9.604 5.009 106 HG1 THR 14 1HG THR 14 -10.125 11.161 6.820 107 1HG2 THR 14 1HG2 THR 14 -12.586 9.320 4.135 108 2HG2 THR 14 2HG2 THR 14 -12.921 10.884 4.917 109 3HG2 THR 14 3HG2 THR 14 -11.719 10.783 3.608 110 H ASP 15 H ASP 15 -12.837 7.271 5.240 111 HA ASP 15 HA ASP 15 -15.351 8.419 5.434 112 1HB ASP 15 1HB ASP 15 -14.604 5.491 4.979 113 2HB ASP 15 2HB ASP 15 -16.161 6.203 4.603 114 H GLU 16 H GLU 16 -17.144 6.397 6.238 115 HA GLU 16 HA GLU 16 -16.542 6.266 9.077 116 1HB GLU 16 1HB GLU 16 -19.047 6.535 7.458 117 2HB GLU 16 2HB GLU 16 -19.179 5.603 8.937 118 1HG GLU 16 1HG GLU 16 -19.596 7.746 9.759 119 2HG GLU 16 2HG GLU 16 -17.866 7.645 10.018 120 H SER 17 H SER 17 -17.746 4.321 6.279 121 HA SER 17 HA SER 17 -17.364 1.951 7.918 122 1HB SER 17 1HB SER 17 -19.213 2.703 5.739 123 2HB SER 17 2HB SER 17 -18.497 1.121 5.503 124 HG SER 17 HG SER 17 -19.357 1.576 8.135 125 H LYS 18 H LYS 18 -16.629 3.409 4.683 126 HA LYS 18 HA LYS 18 -15.215 1.509 3.465 127 1HB LYS 18 1HB LYS 18 -15.239 4.415 3.476 128 2HB LYS 18 2HB LYS 18 -13.636 3.803 3.122 129 1HG LYS 18 1HG LYS 18 -15.128 4.090 1.084 130 2HG LYS 18 2HG LYS 18 -14.435 2.490 1.257 131 1HD LYS 18 1HD LYS 18 -16.834 2.329 2.721 132 2HD LYS 18 2HD LYS 18 -17.262 3.319 1.340 133 1HE LYS 18 1HE LYS 18 -17.497 1.354 0.205 134 2HE LYS 18 2HE LYS 18 -15.746 1.321 0.143 135 1HZ LYS 18 1HZ LYS 18 -15.654 -0.219 1.757 136 2HZ LYS 18 2HZ LYS 18 -16.969 0.322 2.560 137 3HZ LYS 18 3HZ LYS 18 -17.150 -0.594 1.220 138 HA PRO 19 HA PRO 19 -12.071 0.482 6.298 139 1HB PRO 19 1HB PRO 19 -10.965 -1.572 4.874 140 2HB PRO 19 2HB PRO 19 -12.355 -1.772 5.922 141 1HG PRO 19 1HG PRO 19 -12.259 -1.676 2.969 142 2HG PRO 19 2HG PRO 19 -13.532 -2.288 4.007 143 1HD PRO 19 1HD PRO 19 -13.515 0.213 2.603 144 2HD PRO 19 2HD PRO 19 -14.734 -0.347 3.731 145 H ILE 20 H ILE 20 -9.546 -0.495 5.646 146 HA ILE 20 HA ILE 20 -8.513 1.791 4.118 147 HB ILE 20 HB ILE 20 -7.339 0.567 6.618 148 1HG1 ILE 20 1HG1 ILE 20 -7.795 3.290 7.023 149 2HG1 ILE 20 2HG1 ILE 20 -9.236 2.744 6.189 150 1HG2 ILE 20 1HG2 ILE 20 -6.039 1.872 4.501 151 2HG2 ILE 20 2HG2 ILE 20 -6.189 3.086 5.795 152 3HG2 ILE 20 3HG2 ILE 20 -5.399 1.525 6.126 153 1HD1 ILE 20 1HD1 ILE 20 -9.461 2.494 8.652 154 2HD1 ILE 20 2HD1 ILE 20 -9.532 0.914 7.836 155 3HD1 ILE 20 3HD1 ILE 20 -8.042 1.419 8.668 156 H TYR 21 H TYR 21 -7.509 1.154 2.295 157 HA TYR 21 HA TYR 21 -6.246 -1.504 2.342 158 1HB TYR 21 1HB TYR 21 -7.802 0.052 0.184 159 2HB TYR 21 2HB TYR 21 -6.933 -1.430 -0.162 160 HD1 TYR 21 1HD TYR 21 -9.843 -1.084 -0.713 161 HD2 TYR 21 2HD TYR 21 -7.823 -2.493 2.786 162 HE1 TYR 21 1HE TYR 21 -11.894 -2.441 -0.067 163 HE2 TYR 21 2HE TYR 21 -9.881 -3.845 3.420 164 HH TYR 21 HH TYR 21 -12.890 -3.414 1.799 165 H VAL 22 H VAL 22 -4.137 -1.596 1.672 166 HA VAL 22 HA VAL 22 -3.050 0.897 0.560 167 HB VAL 22 HB VAL 22 -1.529 -1.226 2.066 168 1HG1 VAL 22 1HG1 VAL 22 -0.720 1.626 2.120 169 2HG1 VAL 22 2HG1 VAL 22 0.264 0.153 1.949 170 3HG1 VAL 22 3HG1 VAL 22 -0.597 0.817 0.539 171 1HG2 VAL 22 1HG2 VAL 22 -2.599 1.323 3.301 172 2HG2 VAL 22 2HG2 VAL 22 -3.453 -0.235 3.412 173 3HG2 VAL 22 3HG2 VAL 22 -1.825 -0.060 4.110 174 H ALA 23 H ALA 23 -1.476 0.720 -1.151 175 HA ALA 23 HA ALA 23 -1.757 -1.812 -2.611 176 1HB ALA 23 1HB ALA 23 -2.702 -0.007 -3.859 177 2HB ALA 23 2HB ALA 23 -1.330 1.065 -3.488 178 3HB ALA 23 3HB ALA 23 -1.107 -0.319 -4.585 179 H ILE 24 H ILE 24 0.059 -2.985 -3.156 180 HA ILE 24 HA ILE 24 2.647 -1.708 -2.781 181 HB ILE 24 HB ILE 24 1.573 -3.994 -1.182 182 1HG1 ILE 24 1HG1 ILE 24 3.231 -1.531 -0.590 183 2HG1 ILE 24 2HG1 ILE 24 1.577 -1.852 -0.105 184 1HG2 ILE 24 1HG2 ILE 24 3.349 -5.237 -1.793 185 2HG2 ILE 24 2HG2 ILE 24 4.267 -3.835 -2.395 186 3HG2 ILE 24 3HG2 ILE 24 4.220 -4.186 -0.650 187 1HD1 ILE 24 1HD1 ILE 24 2.695 -2.445 1.849 188 2HD1 ILE 24 2HD1 ILE 24 2.669 -4.021 1.023 189 3HD1 ILE 24 3HD1 ILE 24 4.137 -3.016 0.974 190 H LYS 25 H LYS 25 3.555 -1.914 -4.755 191 HA LYS 25 HA LYS 25 4.290 -2.828 -6.625 192 1HB LYS 25 1HB LYS 25 3.771 -5.511 -5.311 193 2HB LYS 25 2HB LYS 25 4.796 -5.213 -6.700 194 1HG LYS 25 1HG LYS 25 6.529 -4.503 -5.402 195 2HG LYS 25 2HG LYS 25 5.499 -3.440 -4.464 196 1HD LYS 25 1HD LYS 25 6.250 -5.026 -2.870 197 2HD LYS 25 2HD LYS 25 4.640 -5.588 -3.274 198 1HE LYS 25 1HE LYS 25 7.049 -6.626 -4.807 199 2HE LYS 25 2HE LYS 25 6.630 -7.315 -3.251 200 1HZ LYS 25 1HZ LYS 25 5.557 -8.515 -4.981 201 2HZ LYS 25 2HZ LYS 25 4.405 -7.721 -4.139 202 3HZ LYS 25 3HZ LYS 25 4.874 -7.167 -5.602 203 H GLY 26 H GLY 26 1.270 -2.445 -5.862 204 1HA GLY 26 1HA GLY 26 -0.407 -2.251 -7.484 205 2HA GLY 26 2HA GLY 26 0.287 -3.586 -8.382 206 H ARG 27 H ARG 27 0.172 -4.026 -4.914 207 HA ARG 27 HA ARG 27 -2.163 -5.721 -5.309 208 1HB ARG 27 1HB ARG 27 0.254 -6.690 -4.699 209 2HB ARG 27 2HB ARG 27 -0.166 -6.182 -3.075 210 1HG ARG 27 1HG ARG 27 -2.424 -7.471 -3.497 211 2HG ARG 27 2HG ARG 27 -1.570 -8.229 -4.825 212 1HD ARG 27 1HD ARG 27 -0.002 -8.197 -2.308 213 2HD ARG 27 2HD ARG 27 -1.509 -9.079 -2.166 214 HE ARG 27 HE ARG 27 0.806 -9.825 -3.804 215 1HH1 ARG 27 2HH2 ARG 27 -2.656 -10.250 -3.335 216 2HH1 ARG 27 1HH2 ARG 27 -2.709 -11.775 -4.153 217 1HH2 ARG 27 2HH1 ARG 27 0.736 -11.838 -4.884 218 2HH2 ARG 27 1HH1 ARG 27 -0.767 -12.685 -5.040 219 H VAL 28 H VAL 28 -3.945 -5.259 -4.029 220 HA VAL 28 HA VAL 28 -3.699 -3.077 -2.164 221 HB VAL 28 HB VAL 28 -5.983 -4.713 -3.256 222 1HG1 VAL 28 1HG1 VAL 28 -5.897 -3.039 -0.840 223 2HG1 VAL 28 2HG1 VAL 28 -7.165 -2.568 -1.997 224 3HG1 VAL 28 3HG1 VAL 28 -7.107 -4.233 -1.369 225 1HG2 VAL 28 1HG2 VAL 28 -5.688 -3.220 -4.917 226 2HG2 VAL 28 2HG2 VAL 28 -6.478 -2.073 -3.809 227 3HG2 VAL 28 3HG2 VAL 28 -4.702 -2.138 -3.903 228 H PHE 29 H PHE 29 -3.313 -3.297 -0.024 229 HA PHE 29 HA PHE 29 -3.822 -5.952 1.123 230 1HB PHE 29 1HB PHE 29 -1.724 -3.761 1.506 231 2HB PHE 29 2HB PHE 29 -2.021 -4.894 2.810 232 HD1 PHE 29 1HD PHE 29 -2.064 -7.460 1.945 233 HD2 PHE 29 2HD PHE 29 0.018 -4.260 0.093 234 HE1 PHE 29 1HE PHE 29 -0.493 -9.101 0.877 235 HE2 PHE 29 2HE PHE 29 1.589 -5.901 -0.975 236 HZ PHE 29 HZ PHE 29 1.315 -8.301 -0.570 237 H ASP 30 H ASP 30 -4.424 -5.971 3.458 238 HA ASP 30 HA ASP 30 -6.105 -3.666 3.991 239 1HB ASP 30 1HB ASP 30 -7.510 -5.505 4.177 240 2HB ASP 30 2HB ASP 30 -6.209 -6.589 4.625 241 H VAL 31 H VAL 31 -5.505 -2.292 5.684 242 HA VAL 31 HA VAL 31 -3.668 -3.388 7.695 243 HB VAL 31 HB VAL 31 -2.409 -1.357 7.675 244 1HG1 VAL 31 1HG1 VAL 31 -2.279 -3.229 5.724 245 2HG1 VAL 31 2HG1 VAL 31 -2.537 -1.770 4.737 246 3HG1 VAL 31 3HG1 VAL 31 -1.153 -1.857 5.853 247 1HG2 VAL 31 1HG2 VAL 31 -3.666 0.482 7.232 248 2HG2 VAL 31 2HG2 VAL 31 -3.049 0.225 5.582 249 3HG2 VAL 31 3HG2 VAL 31 -4.671 -0.357 6.027 250 H THR 32 H THR 32 -6.738 -2.488 7.138 251 HA THR 32 HA THR 32 -7.352 -0.426 8.855 252 HB THR 32 HB THR 32 -9.225 -1.106 7.684 253 HG1 THR 32 1HG THR 32 -10.496 -2.497 9.144 254 1HG2 THR 32 1HG2 THR 32 -8.475 -2.964 6.413 255 2HG2 THR 32 2HG2 THR 32 -7.952 -3.859 7.861 256 3HG2 THR 32 3HG2 THR 32 -9.685 -3.713 7.483 257 H THR 33 H THR 33 -6.165 -3.639 9.609 258 HA THR 33 HA THR 33 -7.182 -3.924 12.183 259 HB THR 33 HB THR 33 -5.406 -5.582 12.390 260 HG1 THR 33 1HG THR 33 -3.648 -4.182 11.749 261 1HG2 THR 33 1HG2 THR 33 -6.253 -6.834 10.680 262 2HG2 THR 33 2HG2 THR 33 -6.922 -5.361 9.938 263 3HG2 THR 33 3HG2 THR 33 -5.277 -5.898 9.523 264 H GLY 34 H GLY 34 -5.259 -1.408 10.977 265 1HA GLY 34 1HA GLY 34 -4.735 -0.501 13.694 266 2HA GLY 34 2HA GLY 34 -3.326 -0.772 12.688 267 H LYS 35 H LYS 35 -6.635 0.491 11.875 268 HA LYS 35 HA LYS 35 -5.791 2.347 10.050 269 1HB LYS 35 1HB LYS 35 -7.973 2.931 9.938 270 2HB LYS 35 2HB LYS 35 -8.180 1.480 10.898 271 1HG LYS 35 1HG LYS 35 -8.117 2.844 12.989 272 2HG LYS 35 2HG LYS 35 -7.879 4.299 12.041 273 1HD LYS 35 1HD LYS 35 -10.079 3.805 10.855 274 2HD LYS 35 2HD LYS 35 -10.325 2.471 11.965 275 1HE LYS 35 1HE LYS 35 -11.073 3.871 13.590 276 2HE LYS 35 2HE LYS 35 -9.629 4.858 13.479 277 1HZ LYS 35 1HZ LYS 35 -10.589 6.121 11.779 278 2HZ LYS 35 2HZ LYS 35 -11.818 5.072 11.541 279 3HZ LYS 35 3HZ LYS 35 -11.763 5.968 12.905 280 H SER 36 H SER 36 -5.463 2.361 13.533 281 HA SER 36 HA SER 36 -5.422 5.059 14.008 282 1HB SER 36 1HB SER 36 -4.836 2.678 15.424 283 2HB SER 36 2HB SER 36 -3.378 3.642 15.551 284 HG SER 36 HG SER 36 -4.692 4.269 17.266 285 H PHE 37 H PHE 37 -3.266 3.082 12.138 286 HA PHE 37 HA PHE 37 -1.176 5.131 12.304 287 1HB PHE 37 1HB PHE 37 -1.253 2.230 11.275 288 2HB PHE 37 2HB PHE 37 0.181 3.237 11.225 289 HD1 PHE 37 1HD PHE 37 -2.221 1.611 13.524 290 HD2 PHE 37 2HD PHE 37 1.582 3.448 13.113 291 HE1 PHE 37 1HE PHE 37 -1.601 0.844 15.832 292 HE2 PHE 37 2HE PHE 37 2.202 2.681 15.421 293 HZ PHE 37 HZ PHE 37 0.603 1.388 16.753 294 H TYR 38 H TYR 38 -3.157 3.120 10.044 295 HA TYR 38 HA TYR 38 -2.187 4.700 7.804 296 1HB TYR 38 1HB TYR 38 -3.416 2.078 8.419 297 2HB TYR 38 2HB TYR 38 -4.307 2.871 7.135 298 HD1 TYR 38 1HD TYR 38 -2.813 3.853 5.168 299 HD2 TYR 38 2HD TYR 38 -1.564 0.778 7.869 300 HE1 TYR 38 1HE TYR 38 -1.069 3.076 3.489 301 HE2 TYR 38 2HE TYR 38 0.176 0.012 6.180 302 HH TYR 38 HH TYR 38 1.407 0.896 4.341 303 H GLY 39 H GLY 39 -5.158 4.107 9.740 304 1HA GLY 39 1HA GLY 39 -7.122 5.224 8.267 305 2HA GLY 39 2HA GLY 39 -6.975 5.427 10.002 306 H SER 40 H SER 40 -8.188 7.455 8.586 307 HA SER 40 HA SER 40 -6.892 9.372 7.370 308 1HB SER 40 1HB SER 40 -9.262 9.209 8.819 309 2HB SER 40 2HB SER 40 -8.404 10.483 9.662 310 HG SER 40 HG SER 40 -8.022 11.090 7.128 311 H GLY 41 H GLY 41 -5.092 10.645 7.679 312 1HA GLY 41 1HA GLY 41 -3.221 11.416 8.675 313 2HA GLY 41 2HA GLY 41 -4.325 11.997 9.906 314 H GLY 42 H GLY 42 -2.144 9.333 8.946 315 1HA GLY 42 1HA GLY 42 -1.740 8.696 11.761 316 2HA GLY 42 2HA GLY 42 -2.384 7.413 10.758 317 H ASP 43 H ASP 43 -0.115 6.595 11.681 318 HA ASP 43 HA ASP 43 2.260 7.462 10.930 319 1HB ASP 43 1HB ASP 43 1.114 4.951 11.670 320 2HB ASP 43 2HB ASP 43 2.119 4.622 10.272 321 H TYR 44 H TYR 44 0.010 5.431 8.915 322 HA TYR 44 HA TYR 44 1.679 6.011 6.574 323 1HB TYR 44 1HB TYR 44 -0.715 4.124 6.743 324 2HB TYR 44 2HB TYR 44 0.711 3.957 5.739 325 HD1 TYR 44 1HD TYR 44 -0.924 2.649 8.516 326 HD2 TYR 44 2HD TYR 44 2.998 3.740 7.200 327 HE1 TYR 44 1HE TYR 44 0.097 1.062 10.219 328 HE2 TYR 44 2HE TYR 44 4.005 2.150 8.908 329 HH TYR 44 HH TYR 44 2.798 -0.193 10.117 330 H SER 45 H SER 45 0.495 8.293 7.094 331 HA SER 45 HA SER 45 -2.188 8.397 6.223 332 1HB SER 45 1HB SER 45 -0.787 10.031 7.768 333 2HB SER 45 2HB SER 45 -0.337 10.791 6.254 334 HG SER 45 HG SER 45 -2.184 11.863 6.910 335 H MET 46 H MET 46 1.032 8.687 4.734 336 HA MET 46 HA MET 46 -0.040 9.790 2.324 337 1HB MET 46 1HB MET 46 2.414 9.354 1.566 338 2HB MET 46 2HB MET 46 2.202 10.478 2.893 339 1HG MET 46 1HG MET 46 2.477 7.612 3.700 340 2HG MET 46 2HG MET 46 3.904 8.315 2.965 341 1HE MET 46 1HE MET 46 4.529 11.471 5.030 342 2HE MET 46 2HE MET 46 4.196 10.907 3.375 343 3HE MET 46 3HE MET 46 2.896 11.644 4.342 344 H PHE 47 H PHE 47 0.552 6.626 3.710 345 HA PHE 47 HA PHE 47 0.673 5.313 1.149 346 1HB PHE 47 1HB PHE 47 0.319 4.307 4.038 347 2HB PHE 47 2HB PHE 47 0.738 3.290 2.674 348 HD1 PHE 47 1HD PHE 47 2.553 5.861 1.700 349 HD2 PHE 47 2HD PHE 47 2.391 3.272 5.059 350 HE1 PHE 47 1HE PHE 47 4.989 6.276 2.138 351 HE2 PHE 47 2HE PHE 47 4.828 3.688 5.497 352 HZ PHE 47 HZ PHE 47 6.098 5.185 4.031 353 H ALA 48 H ALA 48 -1.710 6.059 3.701 354 HA ALA 48 HA ALA 48 -3.656 4.210 3.100 355 1HB ALA 48 1HB ALA 48 -5.092 5.612 4.337 356 2HB ALA 48 2HB ALA 48 -3.475 6.006 4.969 357 3HB ALA 48 3HB ALA 48 -4.263 7.092 3.799 358 H GLY 49 H GLY 49 -4.877 3.805 1.325 359 1HA GLY 49 1HA GLY 49 -5.878 4.076 -0.668 360 2HA GLY 49 2HA GLY 49 -6.059 5.773 -0.273 361 H LYS 50 H LYS 50 -2.868 4.165 -0.407 362 HA LYS 50 HA LYS 50 -2.368 5.012 -3.095 363 1HB LYS 50 1HB LYS 50 -1.107 6.514 -0.786 364 2HB LYS 50 2HB LYS 50 -0.466 6.529 -2.416 365 1HG LYS 50 1HG LYS 50 -2.884 7.232 -3.146 366 2HG LYS 50 2HG LYS 50 -3.149 7.584 -1.450 367 1HD LYS 50 1HD LYS 50 -0.641 8.770 -2.064 368 2HD LYS 50 2HD LYS 50 -1.660 9.127 -3.444 369 1HE LYS 50 1HE LYS 50 -3.344 9.574 -1.222 370 2HE LYS 50 2HE LYS 50 -1.791 10.201 -0.707 371 1HZ LYS 50 1HZ LYS 50 -1.983 11.878 -2.111 372 2HZ LYS 50 2HZ LYS 50 -2.400 10.931 -3.374 373 3HZ LYS 50 3HZ LYS 50 -3.544 11.453 -2.332 374 H ASP 51 H ASP 51 -0.383 4.115 -3.919 375 HA ASP 51 HA ASP 51 0.367 1.804 -2.409 376 1HB ASP 51 1HB ASP 51 -0.033 1.636 -4.844 377 2HB ASP 51 2HB ASP 51 1.199 2.842 -5.158 378 H ALA 52 H ALA 52 2.013 2.046 -0.885 379 HA ALA 52 HA ALA 52 4.051 4.081 -1.406 380 1HB ALA 52 1HB ALA 52 2.583 3.878 0.763 381 2HB ALA 52 2HB ALA 52 3.709 2.565 1.181 382 3HB ALA 52 3HB ALA 52 4.325 4.213 0.911 383 H SER 53 H SER 53 4.415 2.060 -3.141 384 HA SER 53 HA SER 53 5.860 -0.083 -2.019 385 1HB SER 53 1HB SER 53 6.529 -0.406 -4.515 386 2HB SER 53 2HB SER 53 4.840 -0.581 -4.081 387 HG SER 53 HG SER 53 4.823 0.760 -5.861 388 H ARG 54 H ARG 54 6.773 2.853 -3.963 389 HA ARG 54 HA ARG 54 9.504 2.335 -3.771 390 1HB ARG 54 1HB ARG 54 8.553 5.174 -4.072 391 2HB ARG 54 2HB ARG 54 9.757 4.306 -5.004 392 1HG ARG 54 1HG ARG 54 7.584 2.856 -5.727 393 2HG ARG 54 2HG ARG 54 6.767 4.356 -5.335 394 1HD ARG 54 1HD ARG 54 7.506 4.149 -7.768 395 2HD ARG 54 2HD ARG 54 8.055 5.603 -6.959 396 HE ARG 54 HE ARG 54 9.961 3.390 -6.747 397 1HH1 ARG 54 2HH2 ARG 54 8.892 6.083 -8.744 398 2HH1 ARG 54 1HH2 ARG 54 10.408 6.240 -9.568 399 1HH2 ARG 54 2HH1 ARG 54 11.961 3.598 -7.833 400 2HH2 ARG 54 1HH1 ARG 54 12.165 4.817 -9.046 401 H ALA 55 H ALA 55 7.211 4.435 -1.923 402 HA ALA 55 HA ALA 55 9.106 5.706 -0.327 403 1HB ALA 55 1HB ALA 55 7.266 6.635 0.650 404 2HB ALA 55 2HB ALA 55 6.415 5.878 -0.718 405 3HB ALA 55 3HB ALA 55 6.457 5.064 0.865 406 H LEU 56 H LEU 56 7.497 2.512 -0.102 407 HA LEU 56 HA LEU 56 8.405 1.997 2.535 408 1HB LEU 56 1HB LEU 56 7.151 0.403 0.332 409 2HB LEU 56 2HB LEU 56 7.842 -0.423 1.715 410 HG LEU 56 HG LEU 56 5.816 1.787 2.061 411 1HD1 LEU 56 1HD1 LEU 56 5.216 -0.405 0.574 412 2HD1 LEU 56 2HD1 LEU 56 4.818 -0.987 2.208 413 3HD1 LEU 56 3HD1 LEU 56 4.048 0.488 1.577 414 1HD2 LEU 56 1HD2 LEU 56 5.585 1.055 4.235 415 2HD2 LEU 56 2HD2 LEU 56 6.175 -0.583 3.865 416 3HD2 LEU 56 3HD2 LEU 56 7.319 0.778 3.946 417 H GLY 57 H GLY 57 9.600 1.254 -0.782 418 1HA GLY 57 1HA GLY 57 11.670 -0.463 -0.152 419 2HA GLY 57 2HA GLY 57 11.639 0.647 -1.508 420 H LYS 58 H LYS 58 12.257 2.998 -1.036 421 HA LYS 58 HA LYS 58 14.747 3.029 0.251 422 1HB LYS 58 1HB LYS 58 13.075 5.436 -0.504 423 2HB LYS 58 2HB LYS 58 14.818 5.343 -0.353 424 1HG LYS 58 1HG LYS 58 14.849 4.916 -2.588 425 2HG LYS 58 2HG LYS 58 14.286 3.307 -2.179 426 1HD LYS 58 1HD LYS 58 12.092 3.751 -2.810 427 2HD LYS 58 2HD LYS 58 12.183 5.440 -2.354 428 1HE LYS 58 1HE LYS 58 14.061 5.090 -4.485 429 2HE LYS 58 2HE LYS 58 12.610 4.235 -4.969 430 1HZ LYS 58 1HZ LYS 58 12.182 6.822 -3.793 431 2HZ LYS 58 2HZ LYS 58 12.927 6.832 -5.246 432 3HZ LYS 58 3HZ LYS 58 11.460 6.132 -5.085 433 H MET 59 H MET 59 11.470 3.377 1.405 434 HA MET 59 HA MET 59 10.667 3.627 3.413 435 1HB MET 59 1HB MET 59 13.574 3.703 4.398 436 2HB MET 59 2HB MET 59 12.169 3.404 5.402 437 1HG MET 59 1HG MET 59 11.885 1.231 4.614 438 2HG MET 59 2HG MET 59 12.494 1.610 3.016 439 1HE MET 59 1HE MET 59 13.435 0.606 6.707 440 2HE MET 59 2HE MET 59 13.012 -0.635 5.503 441 3HE MET 59 3HE MET 59 14.665 -0.559 6.159 442 H SER 60 H SER 60 10.705 5.890 1.918 443 HA SER 60 HA SER 60 11.802 7.936 3.668 444 1HB SER 60 1HB SER 60 12.113 7.712 0.993 445 2HB SER 60 2HB SER 60 10.608 8.611 0.994 446 HG SER 60 HG SER 60 11.929 9.995 2.699 447 H LYS 61 H LYS 61 8.846 6.508 2.340 448 HA LYS 61 HA LYS 61 6.710 6.801 2.817 449 1HB LYS 61 1HB LYS 61 7.521 8.606 5.108 450 2HB LYS 61 2HB LYS 61 6.040 7.685 4.937 451 1HG LYS 61 1HG LYS 61 8.025 5.728 4.651 452 2HG LYS 61 2HG LYS 61 8.705 6.798 5.860 453 1HD LYS 61 1HD LYS 61 6.557 6.640 7.172 454 2HD LYS 61 2HD LYS 61 5.934 5.515 5.981 455 1HE LYS 61 1HE LYS 61 8.245 4.228 6.514 456 2HE LYS 61 2HE LYS 61 8.113 5.105 8.026 457 1HZ LYS 61 1HZ LYS 61 6.801 2.822 7.365 458 2HZ LYS 61 2HZ LYS 61 6.500 3.766 8.663 459 3HZ LYS 61 3HZ LYS 61 5.641 3.968 7.289 460 H ASN 62 H ASN 62 8.454 8.735 1.150 461 HA ASN 62 HA ASN 62 7.358 11.264 1.394 462 1HB ASN 62 1HB ASN 62 8.784 9.721 -0.784 463 2HB ASN 62 2HB ASN 62 8.014 11.231 -1.231 464 1HD2 ASN 62 1HD2 ASN 62 8.969 13.099 -0.799 465 2HD2 ASN 62 2HD2 ASN 62 10.412 13.321 0.132 466 H GLU 63 H GLU 63 5.632 12.292 0.127 467 HA GLU 63 HA GLU 63 3.472 10.576 -0.376 468 1HB GLU 63 1HB GLU 63 3.639 13.167 0.300 469 2HB GLU 63 2HB GLU 63 3.520 13.397 -1.433 470 1HG GLU 63 1HG GLU 63 1.512 11.588 -1.117 471 2HG GLU 63 2HG GLU 63 1.485 12.300 0.484 472 H GLU 64 H GLU 64 6.151 11.742 -2.296 473 HA GLU 64 HA GLU 64 4.740 11.240 -4.758 474 1HB GLU 64 1HB GLU 64 7.685 11.884 -4.633 475 2HB GLU 64 2HB GLU 64 6.504 12.345 -5.843 476 1HG GLU 64 1HG GLU 64 5.450 13.936 -4.283 477 2HG GLU 64 2HG GLU 64 6.488 13.400 -2.977 478 H ASP 65 H ASP 65 6.879 9.661 -2.480 479 HA ASP 65 HA ASP 65 8.005 7.858 -4.327 480 1HB ASP 65 1HB ASP 65 7.808 8.071 -1.319 481 2HB ASP 65 2HB ASP 65 8.316 6.541 -2.007 482 H VAL 66 H VAL 66 4.874 8.278 -3.043 483 HA VAL 66 HA VAL 66 4.231 5.479 -2.777 484 HB VAL 66 HB VAL 66 2.301 7.787 -2.835 485 1HG1 VAL 66 1HG1 VAL 66 2.336 5.117 -1.388 486 2HG1 VAL 66 2HG1 VAL 66 1.085 6.369 -1.197 487 3HG1 VAL 66 3HG1 VAL 66 1.313 5.570 -2.772 488 1HG2 VAL 66 1HG2 VAL 66 3.555 8.741 -1.212 489 2HG2 VAL 66 2HG2 VAL 66 2.808 7.498 -0.179 490 3HG2 VAL 66 3HG2 VAL 66 4.434 7.235 -0.855 491 H SER 67 H SER 67 4.677 4.591 -4.845 492 HA SER 67 HA SER 67 2.948 5.654 -6.939 493 1HB SER 67 1HB SER 67 5.124 5.863 -7.794 494 2HB SER 67 2HB SER 67 5.697 4.416 -6.990 495 HG SER 67 HG SER 67 4.402 4.705 -9.476 496 HA PRO 68 HA PRO 68 0.934 1.787 -6.616 497 1HB PRO 68 1HB PRO 68 -0.813 2.053 -8.701 498 2HB PRO 68 2HB PRO 68 -1.109 2.727 -7.110 499 1HG PRO 68 1HG PRO 68 -0.294 4.115 -9.590 500 2HG PRO 68 2HG PRO 68 -0.996 4.791 -8.133 501 1HD PRO 68 1HD PRO 68 1.757 4.915 -8.929 502 2HD PRO 68 2HD PRO 68 1.075 5.488 -7.419 503 H SER 69 H SER 69 3.340 2.431 -8.530 504 HA SER 69 HA SER 69 3.262 -0.236 -9.585 505 1HB SER 69 1HB SER 69 2.314 1.645 -11.274 506 2HB SER 69 2HB SER 69 4.023 1.880 -11.581 507 HG SER 69 HG SER 69 3.037 -0.798 -11.569 508 H LEU 70 H LEU 70 5.392 -1.084 -9.931 509 HA LEU 70 HA LEU 70 7.461 0.540 -8.707 510 1HB LEU 70 1HB LEU 70 8.718 -1.713 -9.005 511 2HB LEU 70 2HB LEU 70 7.516 -1.514 -7.744 512 HG LEU 70 HG LEU 70 6.680 -2.657 -10.391 513 1HD1 LEU 70 1HD1 LEU 70 8.699 -3.905 -9.826 514 2HD1 LEU 70 2HD1 LEU 70 8.056 -4.235 -8.199 515 3HD1 LEU 70 3HD1 LEU 70 7.247 -4.916 -9.631 516 1HD2 LEU 70 1HD2 LEU 70 5.247 -2.032 -8.210 517 2HD2 LEU 70 2HD2 LEU 70 4.831 -3.375 -9.301 518 3HD2 LEU 70 3HD2 LEU 70 5.707 -3.698 -7.785 519 H GLU 71 H GLU 71 6.485 1.445 -11.263 520 HA GLU 71 HA GLU 71 8.236 0.491 -13.262 521 1HB GLU 71 1HB GLU 71 6.193 2.683 -13.017 522 2HB GLU 71 2HB GLU 71 7.362 2.813 -14.316 523 1HG GLU 71 1HG GLU 71 6.651 0.166 -14.562 524 2HG GLU 71 2HG GLU 71 5.155 0.834 -13.940 525 H GLY 72 H GLY 72 10.007 0.913 -11.322 526 1HA GLY 72 1HA GLY 72 11.964 2.505 -12.277 527 2HA GLY 72 2HA GLY 72 11.020 3.620 -11.310 528 H LEU 73 H LEU 73 10.138 1.326 -9.466 529 HA LEU 73 HA LEU 73 11.795 1.712 -7.390 530 1HB LEU 73 1HB LEU 73 9.718 -0.104 -8.109 531 2HB LEU 73 2HB LEU 73 10.982 -1.017 -7.309 532 HG LEU 73 HG LEU 73 10.508 1.392 -5.816 533 1HD1 LEU 73 1HD1 LEU 73 8.304 1.421 -6.897 534 2HD1 LEU 73 2HD1 LEU 73 8.009 -0.243 -6.338 535 3HD1 LEU 73 3HD1 LEU 73 8.185 1.075 -5.155 536 1HD2 LEU 73 1HD2 LEU 73 11.496 -0.636 -4.907 537 2HD2 LEU 73 2HD2 LEU 73 10.023 -0.201 -4.008 538 3HD2 LEU 73 3HD2 LEU 73 9.982 -1.528 -5.193 539 H THR 74 H THR 74 13.974 1.624 -7.287 540 HA THR 74 HA THR 74 15.430 -0.172 -8.992 541 HB THR 74 HB THR 74 17.347 1.041 -8.116 542 HG1 THR 74 1HG THR 74 16.851 2.412 -6.152 543 1HG2 THR 74 1HG2 THR 74 14.893 2.556 -8.775 544 2HG2 THR 74 2HG2 THR 74 15.982 3.459 -7.694 545 3HG2 THR 74 3HG2 THR 74 16.575 2.871 -9.266 546 H GLU 75 H GLU 75 17.550 -1.057 -7.493 547 HA GLU 75 HA GLU 75 16.379 -3.321 -6.325 548 1HB GLU 75 1HB GLU 75 19.026 -2.416 -7.120 549 2HB GLU 75 2HB GLU 75 19.115 -3.159 -5.536 550 1HG GLU 75 1HG GLU 75 17.425 -4.901 -6.922 551 2HG GLU 75 2HG GLU 75 18.553 -4.400 -8.166 552 H LYS 76 H LYS 76 17.925 -0.332 -5.046 553 HA LYS 76 HA LYS 76 18.152 -1.060 -2.403 554 1HB LYS 76 1HB LYS 76 18.597 1.152 -2.012 555 2HB LYS 76 2HB LYS 76 18.860 1.089 -3.742 556 1HG LYS 76 1HG LYS 76 16.639 1.996 -4.194 557 2HG LYS 76 2HG LYS 76 16.170 1.839 -2.513 558 1HD LYS 76 1HD LYS 76 16.754 4.081 -2.505 559 2HD LYS 76 2HD LYS 76 18.321 3.399 -2.116 560 1HE LYS 76 1HE LYS 76 18.911 3.422 -4.569 561 2HE LYS 76 2HE LYS 76 17.365 4.171 -4.915 562 1HZ LYS 76 1HZ LYS 76 18.910 5.885 -4.715 563 2HZ LYS 76 2HZ LYS 76 18.069 5.936 -3.316 564 3HZ LYS 76 3HZ LYS 76 19.569 5.291 -3.343 565 H GLU 77 H GLU 77 15.333 0.467 -4.103 566 HA GLU 77 HA GLU 77 13.754 0.295 -1.763 567 1HB GLU 77 1HB GLU 77 11.895 0.799 -3.595 568 2HB GLU 77 2HB GLU 77 13.037 2.038 -3.117 569 1HG GLU 77 1HG GLU 77 14.091 0.318 -5.274 570 2HG GLU 77 2HG GLU 77 12.599 1.115 -5.730 571 H ILE 78 H ILE 78 14.140 -1.613 -4.790 572 HA ILE 78 HA ILE 78 11.949 -3.274 -4.494 573 HB ILE 78 HB ILE 78 14.604 -3.476 -5.850 574 1HG1 ILE 78 1HG1 ILE 78 12.152 -2.387 -6.532 575 2HG1 ILE 78 2HG1 ILE 78 13.476 -2.740 -7.624 576 1HG2 ILE 78 1HG2 ILE 78 12.569 -5.719 -5.726 577 2HG2 ILE 78 2HG2 ILE 78 13.992 -5.653 -6.793 578 3HG2 ILE 78 3HG2 ILE 78 14.206 -5.739 -5.028 579 1HD1 ILE 78 1HD1 ILE 78 11.250 -4.700 -6.894 580 2HD1 ILE 78 2HD1 ILE 78 11.339 -3.758 -8.402 581 3HD1 ILE 78 3HD1 ILE 78 12.566 -5.000 -8.055 582 H ASN 79 H ASN 79 15.326 -3.623 -3.232 583 HA ASN 79 HA ASN 79 15.087 -6.071 -2.126 584 1HB ASN 79 1HB ASN 79 16.682 -3.606 -1.544 585 2HB ASN 79 2HB ASN 79 16.589 -4.740 -0.212 586 1HD2 ASN 79 1HD2 ASN 79 18.568 -3.848 -2.472 587 2HD2 ASN 79 2HD2 ASN 79 19.298 -5.332 -2.988 588 H THR 80 H THR 80 14.292 -2.831 -0.670 589 HA THR 80 HA THR 80 13.211 -4.044 1.709 590 HB THR 80 HB THR 80 13.282 -1.169 0.649 591 HG1 THR 80 1HG THR 80 15.164 -1.157 2.015 592 1HG2 THR 80 1HG2 THR 80 11.776 -0.902 2.410 593 2HG2 THR 80 2HG2 THR 80 12.265 -2.427 3.187 594 3HG2 THR 80 3HG2 THR 80 13.276 -0.973 3.365 595 H LEU 81 H LEU 81 11.920 -2.364 -1.216 596 HA LEU 81 HA LEU 81 9.259 -2.420 -0.424 597 1HB LEU 81 1HB LEU 81 9.868 -1.016 -2.189 598 2HB LEU 81 2HB LEU 81 10.662 -2.302 -3.075 599 HG LEU 81 HG LEU 81 8.430 -1.446 -3.968 600 1HD1 LEU 81 1HD1 LEU 81 9.628 -3.990 -4.006 601 2HD1 LEU 81 2HD1 LEU 81 7.883 -4.273 -3.794 602 3HD1 LEU 81 3HD1 LEU 81 8.467 -3.309 -5.172 603 1HD2 LEU 81 1HD2 LEU 81 6.415 -2.016 -2.979 604 2HD2 LEU 81 2HD2 LEU 81 7.146 -3.284 -1.966 605 3HD2 LEU 81 3HD2 LEU 81 7.418 -1.568 -1.579 606 H ASN 82 H ASN 82 11.082 -4.745 -2.542 607 HA ASN 82 HA ASN 82 9.071 -6.494 -2.960 608 1HB ASN 82 1HB ASN 82 11.591 -6.484 -3.755 609 2HB ASN 82 2HB ASN 82 11.893 -7.460 -2.332 610 1HD2 ASN 82 1HD2 ASN 82 11.132 -7.502 -5.544 611 2HD2 ASN 82 2HD2 ASN 82 10.473 -9.096 -5.709 612 H ASP 83 H ASP 83 11.357 -6.224 -0.167 613 HA ASP 83 HA ASP 83 10.416 -8.548 1.098 614 1HB ASP 83 1HB ASP 83 12.306 -6.341 1.647 615 2HB ASP 83 2HB ASP 83 11.492 -6.895 3.097 616 H TRP 84 H TRP 84 9.566 -5.081 1.052 617 HA TRP 84 HA TRP 84 8.121 -4.934 3.428 618 1HB TRP 84 1HB TRP 84 8.382 -3.365 0.946 619 2HB TRP 84 2HB TRP 84 6.857 -3.167 1.785 620 HD1 TRP 84 HD TRP 84 10.048 -1.511 1.696 621 HE1 TRP 84 1HE TRP 84 10.681 -0.171 3.879 622 HE3 TRP 84 3HE TRP 84 6.599 -3.740 4.695 623 HZ2 TRP 84 2HZ TRP 84 9.690 -0.194 6.556 624 HZ3 TRP 84 3HZ TRP 84 6.498 -3.023 7.080 625 HH2 TRP 84 HH TRP 84 7.971 -1.315 8.021 626 H GLU 85 H GLU 85 7.401 -6.245 0.188 627 HA GLU 85 HA GLU 85 4.647 -6.347 0.455 628 1HB GLU 85 1HB GLU 85 5.250 -6.751 -1.727 629 2HB GLU 85 2HB GLU 85 6.717 -7.600 -1.283 630 1HG GLU 85 1HG GLU 85 4.080 -8.915 -0.634 631 2HG GLU 85 2HG GLU 85 4.589 -8.890 -2.311 632 H THR 86 H THR 86 7.241 -8.728 1.284 633 HA THR 86 HA THR 86 5.470 -10.758 2.121 634 HB THR 86 HB THR 86 8.409 -10.099 2.309 635 HG1 THR 86 1HG THR 86 6.728 -12.414 1.643 636 1HG2 THR 86 1HG2 THR 86 7.656 -11.059 4.603 637 2HG2 THR 86 2HG2 THR 86 7.174 -12.519 3.705 638 3HG2 THR 86 3HG2 THR 86 8.878 -12.003 3.718 639 H LYS 87 H LYS 87 6.917 -7.933 3.766 640 HA LYS 87 HA LYS 87 6.201 -8.767 6.359 641 1HB LYS 87 1HB LYS 87 6.692 -5.966 5.304 642 2HB LYS 87 2HB LYS 87 6.701 -6.457 6.986 643 1HG LYS 87 1HG LYS 87 8.681 -7.765 6.727 644 2HG LYS 87 2HG LYS 87 8.516 -7.841 4.984 645 1HD LYS 87 1HD LYS 87 9.693 -5.918 4.709 646 2HD LYS 87 2HD LYS 87 8.665 -5.055 5.836 647 1HE LYS 87 1HE LYS 87 10.969 -6.890 6.657 648 2HE LYS 87 2HE LYS 87 11.080 -5.143 6.560 649 1HZ LYS 87 1HZ LYS 87 9.879 -6.749 8.566 650 2HZ LYS 87 2HZ LYS 87 10.375 -5.195 8.640 651 3HZ LYS 87 3HZ LYS 87 8.888 -5.551 8.067 652 H PHE 88 H PHE 88 4.599 -6.678 3.880 653 HA PHE 88 HA PHE 88 2.337 -6.265 5.583 654 1HB PHE 88 1HB PHE 88 3.408 -5.503 2.887 655 2HB PHE 88 2HB PHE 88 1.659 -5.608 2.936 656 HD1 PHE 88 1HD PHE 88 4.082 -4.410 5.509 657 HD2 PHE 88 2HD PHE 88 0.861 -3.437 2.923 658 HE1 PHE 88 1HE PHE 88 3.972 -2.112 6.511 659 HE2 PHE 88 2HE PHE 88 0.751 -1.138 3.926 660 HZ PHE 88 HZ PHE 88 2.308 -0.503 5.708 661 H GLU 89 H GLU 89 3.239 -8.394 2.839 662 HA GLU 89 HA GLU 89 0.622 -9.314 2.416 663 1HB GLU 89 1HB GLU 89 2.310 -9.472 0.659 664 2HB GLU 89 2HB GLU 89 3.343 -10.466 1.668 665 1HG GLU 89 1HG GLU 89 2.258 -12.040 0.262 666 2HG GLU 89 2HG GLU 89 1.364 -12.148 1.765 667 H ALA 90 H ALA 90 3.377 -10.363 4.460 668 HA ALA 90 HA ALA 90 1.882 -12.701 5.327 669 1HB ALA 90 1HB ALA 90 3.937 -13.382 6.345 670 2HB ALA 90 2HB ALA 90 4.374 -12.694 4.762 671 3HB ALA 90 3HB ALA 90 4.614 -11.738 6.244 672 H LYS 91 H LYS 91 0.809 -10.003 5.854 673 HA LYS 91 HA LYS 91 0.488 -10.328 8.693 674 1HB LYS 91 1HB LYS 91 1.890 -7.917 7.532 675 2HB LYS 91 2HB LYS 91 1.024 -7.841 9.053 676 1HG LYS 91 1HG LYS 91 2.467 -10.074 9.552 677 2HG LYS 91 2HG LYS 91 3.538 -9.351 8.369 678 1HD LYS 91 1HD LYS 91 3.387 -7.174 9.752 679 2HD LYS 91 2HD LYS 91 2.593 -8.122 10.994 680 1HE LYS 91 1HE LYS 91 4.681 -9.740 10.718 681 2HE LYS 91 2HE LYS 91 5.442 -8.344 9.981 682 1HZ LYS 91 1HZ LYS 91 4.067 -7.941 12.498 683 2HZ LYS 91 2HZ LYS 91 5.495 -8.733 12.539 684 3HZ LYS 91 3HZ LYS 91 5.417 -7.222 11.924 685 H TYR 92 H TYR 92 -0.020 -7.933 6.002 686 HA TYR 92 HA TYR 92 -2.737 -7.540 6.920 687 1HB TYR 92 1HB TYR 92 -0.922 -6.500 4.661 688 2HB TYR 92 2HB TYR 92 -2.581 -5.959 4.828 689 HD1 TYR 92 1HD TYR 92 0.339 -4.569 5.106 690 HD2 TYR 92 2HD TYR 92 -2.782 -5.699 7.806 691 HE1 TYR 92 1HE TYR 92 1.086 -2.766 6.735 692 HE2 TYR 92 2HE TYR 92 -2.024 -3.892 9.426 693 HH TYR 92 HH TYR 92 -0.835 -1.880 9.447 694 HA PRO 93 HA PRO 93 -4.406 -10.364 4.079 695 1HB PRO 93 1HB PRO 93 -7.045 -9.684 4.291 696 2HB PRO 93 2HB PRO 93 -6.233 -10.741 5.429 697 1HG PRO 93 1HG PRO 93 -7.038 -7.917 5.771 698 2HG PRO 93 2HG PRO 93 -6.626 -9.097 6.999 699 1HD PRO 93 1HD PRO 93 -4.969 -6.956 6.050 700 2HD PRO 93 2HD PRO 93 -4.515 -8.205 7.193 701 H VAL 94 H VAL 94 -4.781 -10.606 1.921 702 HA VAL 94 HA VAL 94 -4.849 -8.050 0.530 703 HB VAL 94 HB VAL 94 -4.277 -10.887 -0.339 704 1HG1 VAL 94 1HG1 VAL 94 -3.551 -8.778 -2.231 705 2HG1 VAL 94 2HG1 VAL 94 -4.409 -10.315 -2.502 706 3HG1 VAL 94 3HG1 VAL 94 -5.307 -8.877 -1.958 707 1HG2 VAL 94 1HG2 VAL 94 -2.432 -8.481 -0.242 708 2HG2 VAL 94 2HG2 VAL 94 -2.552 -9.698 1.051 709 3HG2 VAL 94 3HG2 VAL 94 -1.996 -10.175 -0.572 710 H VAL 95 H VAL 95 -6.843 -7.223 0.154 711 HA VAL 95 HA VAL 95 -9.065 -9.064 -0.149 712 HB VAL 95 HB VAL 95 -10.429 -7.063 -0.012 713 1HG1 VAL 95 1HG1 VAL 95 -8.401 -7.749 2.030 714 2HG1 VAL 95 2HG1 VAL 95 -9.189 -6.168 2.246 715 3HG1 VAL 95 3HG1 VAL 95 -10.174 -7.648 2.156 716 1HG2 VAL 95 1HG2 VAL 95 -9.689 -4.905 -0.167 717 2HG2 VAL 95 2HG2 VAL 95 -8.085 -5.285 0.505 718 3HG2 VAL 95 3HG2 VAL 95 -8.460 -5.691 -1.187 719 H GLY 96 H GLY 96 -6.690 -7.570 -2.089 720 1HA GLY 96 1HA GLY 96 -7.645 -8.545 -4.489 721 2HA GLY 96 2HA GLY 96 -8.263 -6.909 -4.368 722 H ARG 97 H ARG 97 -6.624 -7.172 -6.433 723 HA ARG 97 HA ARG 97 -4.089 -6.147 -5.432 724 1HB ARG 97 1HB ARG 97 -2.896 -7.413 -6.974 725 2HB ARG 97 2HB ARG 97 -4.271 -8.481 -6.775 726 1HG ARG 97 1HG ARG 97 -4.112 -6.326 -8.933 727 2HG ARG 97 2HG ARG 97 -3.635 -7.992 -9.195 728 1HD ARG 97 1HD ARG 97 -6.211 -8.140 -7.995 729 2HD ARG 97 2HD ARG 97 -6.323 -6.831 -9.156 730 HE ARG 97 HE ARG 97 -6.146 -8.391 -10.888 731 1HH1 ARG 97 2HH2 ARG 97 -4.965 -9.852 -7.913 732 2HH1 ARG 97 1HH2 ARG 97 -4.776 -11.427 -8.611 733 1HH2 ARG 97 2HH1 ARG 97 -5.897 -10.467 -11.809 734 2HH2 ARG 97 1HH1 ARG 97 -5.309 -11.778 -10.842 735 H VAL 98 H VAL 98 -3.490 -4.121 -6.220 736 HA VAL 98 HA VAL 98 -5.308 -2.492 -7.460 737 HB VAL 98 HB VAL 98 -2.302 -2.427 -7.259 738 1HG1 VAL 98 1HG1 VAL 98 -2.878 -1.151 -9.251 739 2HG1 VAL 98 2HG1 VAL 98 -4.128 -0.259 -8.351 740 3HG1 VAL 98 3HG1 VAL 98 -2.410 -0.046 -7.936 741 1HG2 VAL 98 1HG2 VAL 98 -4.607 -1.303 -5.703 742 2HG2 VAL 98 2HG2 VAL 98 -3.110 -2.076 -5.129 743 3HG2 VAL 98 3HG2 VAL 98 -3.071 -0.405 -5.742 744 H VAL 99 H VAL 99 -5.919 -2.041 -9.549 745 HA VAL 99 HA VAL 99 -4.452 -3.496 -11.640 746 HB VAL 99 HB VAL 99 -6.960 -3.244 -12.646 747 1HG1 VAL 99 1HG1 VAL 99 -6.155 -5.593 -10.912 748 2HG1 VAL 99 2HG1 VAL 99 -7.146 -5.596 -12.391 749 3HG1 VAL 99 3HG1 VAL 99 -5.402 -5.254 -12.489 750 1HG2 VAL 99 1HG2 VAL 99 -7.435 -4.016 -9.759 751 2HG2 VAL 99 2HG2 VAL 99 -7.673 -2.355 -10.354 752 3HG2 VAL 99 3HG2 VAL 99 -8.631 -3.691 -11.036 753 H SER 100 H SER 100 -7.203 -1.177 -11.826 754 HA SER 100 HA SER 100 -5.753 0.326 -13.738 755 1HB SER 100 1HB SER 100 -8.461 -0.041 -13.037 756 2HB SER 100 2HB SER 100 -8.146 1.642 -12.663 757 HG SER 100 HG SER 100 -8.830 0.994 -14.962 Start of MODEL 2 1 1H GLY -1 H GLY -1 -9.058 -14.858 -11.599 2 1HA GLY -1 1HA GLY -1 -7.507 -14.426 -10.024 3 2HA GLY -1 2HA GLY -1 -7.415 -12.775 -10.606 4 HA PRO 0 HA PRO 0 -9.317 -12.411 -6.554 5 1HB PRO 0 1HB PRO 0 -7.887 -10.237 -5.719 6 2HB PRO 0 2HB PRO 0 -7.398 -11.888 -5.395 7 1HG PRO 0 1HG PRO 0 -6.283 -9.975 -7.354 8 2HG PRO 0 2HG PRO 0 -5.563 -11.442 -6.720 9 1HD PRO 0 1HD PRO 0 -6.762 -11.096 -9.303 10 2HD PRO 0 2HD PRO 0 -6.147 -12.590 -8.624 11 H MET 1 H MET 1 -9.754 -9.885 -5.438 12 HA MET 1 HA MET 1 -11.946 -9.165 -7.042 13 1HB MET 1 1HB MET 1 -10.611 -8.123 -4.516 14 2HB MET 1 2HB MET 1 -11.850 -7.142 -5.274 15 1HG MET 1 1HG MET 1 -13.365 -9.229 -5.228 16 2HG MET 1 2HG MET 1 -12.151 -9.991 -4.221 17 1HE MET 1 1HE MET 1 -15.273 -7.619 -4.166 18 2HE MET 1 2HE MET 1 -14.643 -6.277 -3.181 19 3HE MET 1 3HE MET 1 -13.906 -6.646 -4.759 20 H GLU 2 H GLU 2 -8.632 -7.905 -6.575 21 HA GLU 2 HA GLU 2 -7.500 -6.324 -7.544 22 1HB GLU 2 1HB GLU 2 -9.303 -6.323 -9.964 23 2HB GLU 2 2HB GLU 2 -7.554 -6.231 -9.891 24 1HG GLU 2 1HG GLU 2 -7.487 -8.619 -9.085 25 2HG GLU 2 2HG GLU 2 -9.231 -8.700 -9.234 26 H PHE 3 H PHE 3 -7.592 -4.303 -6.666 27 HA PHE 3 HA PHE 3 -10.072 -2.795 -7.081 28 1HB PHE 3 1HB PHE 3 -7.781 -2.695 -5.032 29 2HB PHE 3 2HB PHE 3 -9.046 -1.484 -5.078 30 HD1 PHE 3 1HD PHE 3 -10.935 -1.786 -3.775 31 HD2 PHE 3 2HD PHE 3 -8.615 -5.181 -4.824 32 HE1 PHE 3 1HE PHE 3 -12.363 -3.221 -2.290 33 HE2 PHE 3 2HE PHE 3 -10.042 -6.615 -3.339 34 HZ PHE 3 HZ PHE 3 -11.899 -5.618 -2.090 35 H THR 4 H THR 4 -10.032 -0.926 -8.266 36 HA THR 4 HA THR 4 -7.557 -0.218 -9.548 37 HB THR 4 HB THR 4 -9.059 1.331 -10.791 38 HG1 THR 4 1HG THR 4 -10.958 1.882 -9.765 39 1HG2 THR 4 1HG2 THR 4 -11.010 -0.365 -11.291 40 2HG2 THR 4 2HG2 THR 4 -9.352 -0.850 -11.718 41 3HG2 THR 4 3HG2 THR 4 -10.106 -1.472 -10.230 42 H ALA 5 H ALA 5 -6.836 2.104 -9.674 43 HA ALA 5 HA ALA 5 -6.047 2.959 -7.178 44 1HB ALA 5 1HB ALA 5 -5.017 3.538 -9.386 45 2HB ALA 5 2HB ALA 5 -6.386 4.631 -9.700 46 3HB ALA 5 3HB ALA 5 -5.280 4.956 -8.344 47 H GLU 6 H GLU 6 -8.972 3.724 -9.095 48 HA GLU 6 HA GLU 6 -9.751 5.893 -7.521 49 1HB GLU 6 1HB GLU 6 -11.218 4.030 -9.416 50 2HB GLU 6 2HB GLU 6 -12.077 5.287 -8.548 51 1HG GLU 6 1HG GLU 6 -11.500 6.407 -10.527 52 2HG GLU 6 2HG GLU 6 -10.189 6.886 -9.467 53 H GLN 7 H GLN 7 -10.542 2.365 -7.445 54 HA GLN 7 HA GLN 7 -12.322 2.672 -5.280 55 1HB GLN 7 1HB GLN 7 -11.736 0.673 -7.133 56 2HB GLN 7 2HB GLN 7 -11.122 -0.006 -5.639 57 1HG GLN 7 1HG GLN 7 -13.617 1.149 -4.937 58 2HG GLN 7 2HG GLN 7 -13.899 0.383 -6.488 59 1HE2 GLN 7 1HE2 GLN 7 -12.619 -1.816 -6.650 60 2HE2 GLN 7 2HE2 GLN 7 -12.907 -2.926 -5.352 61 H LEU 8 H LEU 8 -8.833 2.133 -5.659 62 HA LEU 8 HA LEU 8 -8.504 1.368 -2.901 63 1HB LEU 8 1HB LEU 8 -7.075 0.302 -4.428 64 2HB LEU 8 2HB LEU 8 -6.658 1.802 -5.233 65 HG LEU 8 HG LEU 8 -5.719 2.356 -2.758 66 1HD1 LEU 8 1HD1 LEU 8 -4.427 -0.023 -2.401 67 2HD1 LEU 8 2HD1 LEU 8 -5.843 0.525 -1.472 68 3HD1 LEU 8 3HD1 LEU 8 -6.059 -0.565 -2.862 69 1HD2 LEU 8 1HD2 LEU 8 -3.509 1.869 -3.612 70 2HD2 LEU 8 2HD2 LEU 8 -4.190 0.791 -4.854 71 3HD2 LEU 8 3HD2 LEU 8 -4.523 2.538 -4.913 72 H SER 9 H SER 9 -8.625 4.284 -4.846 73 HA SER 9 HA SER 9 -7.208 5.795 -2.861 74 1HB SER 9 1HB SER 9 -7.657 7.721 -4.377 75 2HB SER 9 2HB SER 9 -6.893 6.384 -5.215 76 HG SER 9 HG SER 9 -9.382 7.540 -5.633 77 H GLN 10 H GLN 10 -9.828 4.325 -2.289 78 HA GLN 10 HA GLN 10 -11.216 6.670 -1.273 79 1HB GLN 10 1HB GLN 10 -13.398 5.415 -1.689 80 2HB GLN 10 2HB GLN 10 -12.589 6.017 -3.122 81 1HG GLN 10 1HG GLN 10 -11.786 3.849 -3.732 82 2HG GLN 10 2HG GLN 10 -12.051 3.197 -2.127 83 1HE2 GLN 10 1HE2 GLN 10 -13.533 4.241 -5.113 84 2HE2 GLN 10 2HE2 GLN 10 -15.070 3.468 -4.912 85 H TYR 11 H TYR 11 -9.266 4.417 -0.317 86 HA TYR 11 HA TYR 11 -10.828 3.795 2.078 87 1HB TYR 11 1HB TYR 11 -9.069 1.936 0.358 88 2HB TYR 11 2HB TYR 11 -9.748 1.469 1.904 89 HD1 TYR 11 1HD TYR 11 -12.462 2.024 1.982 90 HD2 TYR 11 2HD TYR 11 -10.150 1.055 -1.485 91 HE1 TYR 11 1HE TYR 11 -14.560 1.199 0.805 92 HE2 TYR 11 2HE TYR 11 -12.255 0.233 -2.650 93 HH TYR 11 HH TYR 11 -14.475 -0.692 -1.910 94 H ASN 12 H ASN 12 -9.282 5.873 2.359 95 HA ASN 12 HA ASN 12 -6.703 4.833 3.228 96 1HB ASN 12 1HB ASN 12 -5.822 7.101 2.950 97 2HB ASN 12 2HB ASN 12 -6.675 6.675 1.480 98 1HD2 ASN 12 1HD2 ASN 12 -7.703 8.339 0.698 99 2HD2 ASN 12 2HD2 ASN 12 -8.631 9.512 1.572 100 H GLY 13 H GLY 13 -9.551 5.003 4.534 101 1HA GLY 13 1HA GLY 13 -10.276 5.226 6.662 102 2HA GLY 13 2HA GLY 13 -8.673 5.744 7.146 103 H THR 14 H THR 14 -11.014 7.132 4.737 104 HA THR 14 HA THR 14 -10.724 9.700 6.132 105 HB THR 14 HB THR 14 -10.153 9.253 3.590 106 HG1 THR 14 1HG THR 14 -12.039 11.266 4.596 107 1HG2 THR 14 1HG2 THR 14 -11.949 9.306 2.056 108 2HG2 THR 14 2HG2 THR 14 -12.606 8.233 3.315 109 3HG2 THR 14 3HG2 THR 14 -13.087 9.946 3.266 110 H ASP 15 H ASP 15 -12.930 7.075 5.493 111 HA ASP 15 HA ASP 15 -15.129 8.793 6.306 112 1HB ASP 15 1HB ASP 15 -14.917 6.808 4.324 113 2HB ASP 15 2HB ASP 15 -15.775 5.995 5.617 114 H GLU 16 H GLU 16 -16.773 6.497 7.222 115 HA GLU 16 HA GLU 16 -15.342 5.969 9.699 116 1HB GLU 16 1HB GLU 16 -18.229 6.392 8.992 117 2HB GLU 16 2HB GLU 16 -17.889 5.292 10.312 118 1HG GLU 16 1HG GLU 16 -16.184 7.519 10.759 119 2HG GLU 16 2HG GLU 16 -17.711 8.214 10.253 120 H SER 17 H SER 17 -17.587 4.430 7.293 121 HA SER 17 HA SER 17 -16.962 1.854 8.362 122 1HB SER 17 1HB SER 17 -18.743 2.878 6.133 123 2HB SER 17 2HB SER 17 -18.409 1.164 6.275 124 HG SER 17 HG SER 17 -19.181 1.330 8.544 125 H LYS 18 H LYS 18 -16.407 3.734 5.314 126 HA LYS 18 HA LYS 18 -15.227 1.974 3.707 127 1HB LYS 18 1HB LYS 18 -15.028 4.842 4.165 128 2HB LYS 18 2HB LYS 18 -13.520 4.189 3.557 129 1HG LYS 18 1HG LYS 18 -15.153 4.891 1.747 130 2HG LYS 18 2HG LYS 18 -14.604 3.233 1.613 131 1HD LYS 18 1HD LYS 18 -16.857 3.016 3.268 132 2HD LYS 18 2HD LYS 18 -17.320 4.272 2.137 133 1HE LYS 18 1HE LYS 18 -17.843 2.587 0.695 134 2HE LYS 18 2HE LYS 18 -16.118 2.390 0.464 135 1HZ LYS 18 1HZ LYS 18 -17.509 1.068 2.673 136 2HZ LYS 18 2HZ LYS 18 -17.426 0.389 1.190 137 3HZ LYS 18 3HZ LYS 18 -16.057 0.696 2.025 138 HA PRO 19 HA PRO 19 -11.955 0.340 6.076 139 1HB PRO 19 1HB PRO 19 -11.148 -1.566 4.292 140 2HB PRO 19 2HB PRO 19 -12.453 -1.814 5.434 141 1HG PRO 19 1HG PRO 19 -12.606 -1.315 2.525 142 2HG PRO 19 2HG PRO 19 -13.830 -1.976 3.591 143 1HD PRO 19 1HD PRO 19 -13.732 0.689 2.536 144 2HD PRO 19 2HD PRO 19 -14.889 0.062 3.693 145 H ILE 20 H ILE 20 -9.537 -0.315 5.700 146 HA ILE 20 HA ILE 20 -8.484 1.864 4.036 147 HB ILE 20 HB ILE 20 -7.321 0.621 6.531 148 1HG1 ILE 20 1HG1 ILE 20 -7.765 3.364 6.910 149 2HG1 ILE 20 2HG1 ILE 20 -9.221 2.784 6.126 150 1HG2 ILE 20 1HG2 ILE 20 -5.372 1.557 6.036 151 2HG2 ILE 20 2HG2 ILE 20 -6.013 1.929 4.417 152 3HG2 ILE 20 3HG2 ILE 20 -6.145 3.130 5.725 153 1HD1 ILE 20 1HD1 ILE 20 -9.407 2.567 8.582 154 2HD1 ILE 20 2HD1 ILE 20 -9.421 0.962 7.814 155 3HD1 ILE 20 3HD1 ILE 20 -7.944 1.554 8.612 156 H TYR 21 H TYR 21 -7.411 1.255 2.239 157 HA TYR 21 HA TYR 21 -6.166 -1.408 2.278 158 1HB TYR 21 1HB TYR 21 -7.764 0.091 0.109 159 2HB TYR 21 2HB TYR 21 -6.907 -1.406 -0.201 160 HD1 TYR 21 1HD TYR 21 -7.682 -2.576 2.646 161 HD2 TYR 21 2HD TYR 21 -9.905 -0.855 -0.580 162 HE1 TYR 21 1HE TYR 21 -9.739 -3.894 3.350 163 HE2 TYR 21 2HE TYR 21 -11.954 -2.179 0.135 164 HH TYR 21 HH TYR 21 -12.783 -3.591 1.535 165 H VAL 22 H VAL 22 -4.047 -1.431 1.674 166 HA VAL 22 HA VAL 22 -3.030 1.045 0.466 167 HB VAL 22 HB VAL 22 -1.492 -1.029 2.032 168 1HG1 VAL 22 1HG1 VAL 22 -0.194 1.356 2.335 169 2HG1 VAL 22 2HG1 VAL 22 0.201 0.137 1.099 170 3HG1 VAL 22 3HG1 VAL 22 -0.841 1.519 0.685 171 1HG2 VAL 22 1HG2 VAL 22 -1.816 0.136 4.022 172 2HG2 VAL 22 2HG2 VAL 22 -2.364 1.612 3.191 173 3HG2 VAL 22 3HG2 VAL 22 -3.431 0.189 3.274 174 H ALA 23 H ALA 23 -1.308 0.808 -1.163 175 HA ALA 23 HA ALA 23 -1.628 -1.723 -2.622 176 1HB ALA 23 1HB ALA 23 -2.567 0.116 -3.864 177 2HB ALA 23 2HB ALA 23 -1.133 1.127 -3.559 178 3HB ALA 23 3HB ALA 23 -1.010 -0.296 -4.622 179 H ILE 24 H ILE 24 0.235 -2.774 -3.419 180 HA ILE 24 HA ILE 24 2.799 -1.534 -2.921 181 HB ILE 24 HB ILE 24 1.675 -3.705 -1.256 182 1HG1 ILE 24 1HG1 ILE 24 3.704 -1.492 -0.875 183 2HG1 ILE 24 2HG1 ILE 24 2.068 -1.563 -0.253 184 1HG2 ILE 24 1HG2 ILE 24 4.528 -3.756 -2.268 185 2HG2 ILE 24 2HG2 ILE 24 3.947 -4.649 -0.843 186 3HG2 ILE 24 3HG2 ILE 24 3.285 -5.017 -2.454 187 1HD1 ILE 24 1HD1 ILE 24 3.054 -3.903 0.773 188 2HD1 ILE 24 2HD1 ILE 24 4.534 -2.915 0.737 189 3HD1 ILE 24 3HD1 ILE 24 3.107 -2.349 1.637 190 H LYS 25 H LYS 25 3.750 -1.731 -4.874 191 HA LYS 25 HA LYS 25 4.429 -2.590 -6.790 192 1HB LYS 25 1HB LYS 25 4.072 -5.347 -5.599 193 2HB LYS 25 2HB LYS 25 5.203 -4.841 -6.838 194 1HG LYS 25 1HG LYS 25 6.707 -4.047 -5.311 195 2HG LYS 25 2HG LYS 25 5.467 -3.239 -4.373 196 1HD LYS 25 1HD LYS 25 6.137 -4.877 -2.852 197 2HD LYS 25 2HD LYS 25 4.806 -5.705 -3.634 198 1HE LYS 25 1HE LYS 25 7.690 -5.973 -4.593 199 2HE LYS 25 2HE LYS 25 6.993 -7.046 -3.396 200 1HZ LYS 25 1HZ LYS 25 5.165 -7.332 -5.139 201 2HZ LYS 25 2HZ LYS 25 6.258 -6.741 -6.199 202 3HZ LYS 25 3HZ LYS 25 6.585 -8.107 -5.365 203 H GLY 26 H GLY 26 1.429 -2.317 -6.006 204 1HA GLY 26 1HA GLY 26 -0.284 -2.249 -7.597 205 2HA GLY 26 2HA GLY 26 0.449 -3.583 -8.465 206 H ARG 27 H ARG 27 0.429 -3.938 -4.992 207 HA ARG 27 HA ARG 27 -1.832 -5.746 -5.292 208 1HB ARG 27 1HB ARG 27 0.596 -6.610 -4.688 209 2HB ARG 27 2HB ARG 27 0.252 -5.979 -3.090 210 1HG ARG 27 1HG ARG 27 -1.916 -7.358 -3.127 211 2HG ARG 27 2HG ARG 27 -1.327 -8.111 -4.595 212 1HD ARG 27 1HD ARG 27 0.770 -8.143 -2.562 213 2HD ARG 27 2HD ARG 27 -0.700 -8.838 -1.909 214 HE ARG 27 HE ARG 27 -0.180 -9.852 -4.575 215 1HH1 ARG 27 2HH2 ARG 27 0.804 -10.188 -1.213 216 2HH1 ARG 27 1HH2 ARG 27 1.340 -11.825 -1.400 217 1HH2 ARG 27 2HH1 ARG 27 0.526 -12.011 -4.823 218 2HH2 ARG 27 1HH1 ARG 27 1.181 -12.869 -3.467 219 H VAL 28 H VAL 28 -3.614 -5.398 -3.960 220 HA VAL 28 HA VAL 28 -3.471 -3.113 -2.192 221 HB VAL 28 HB VAL 28 -5.701 -4.876 -3.207 222 1HG1 VAL 28 1HG1 VAL 28 -5.655 -3.005 -0.924 223 2HG1 VAL 28 2HG1 VAL 28 -6.963 -2.715 -2.097 224 3HG1 VAL 28 3HG1 VAL 28 -6.800 -4.309 -1.321 225 1HG2 VAL 28 1HG2 VAL 28 -4.460 -2.361 -4.064 226 2HG2 VAL 28 2HG2 VAL 28 -5.511 -3.486 -4.958 227 3HG2 VAL 28 3HG2 VAL 28 -6.229 -2.250 -3.897 228 H PHE 29 H PHE 29 -3.081 -3.263 -0.046 229 HA PHE 29 HA PHE 29 -3.520 -5.897 1.175 230 1HB PHE 29 1HB PHE 29 -1.469 -3.649 1.537 231 2HB PHE 29 2HB PHE 29 -1.706 -4.837 2.803 232 HD1 PHE 29 1HD PHE 29 0.245 -4.042 0.055 233 HD2 PHE 29 2HD PHE 29 -1.663 -7.369 1.870 234 HE1 PHE 29 1HE PHE 29 1.849 -5.590 -1.098 235 HE2 PHE 29 2HE PHE 29 -0.059 -8.918 0.718 236 HZ PHE 29 HZ PHE 29 1.678 -8.010 -0.752 237 H ASP 30 H ASP 30 -4.350 -5.951 3.353 238 HA ASP 30 HA ASP 30 -5.956 -3.614 3.893 239 1HB ASP 30 1HB ASP 30 -7.342 -5.472 4.083 240 2HB ASP 30 2HB ASP 30 -6.038 -6.526 4.596 241 H VAL 31 H VAL 31 -5.416 -2.220 5.595 242 HA VAL 31 HA VAL 31 -3.560 -3.259 7.618 243 HB VAL 31 HB VAL 31 -2.381 -1.167 7.606 244 1HG1 VAL 31 1HG1 VAL 31 -1.060 -1.658 5.826 245 2HG1 VAL 31 2HG1 VAL 31 -2.122 -3.083 5.716 246 3HG1 VAL 31 3HG1 VAL 31 -2.420 -1.668 4.678 247 1HG2 VAL 31 1HG2 VAL 31 -2.973 0.387 5.531 248 2HG2 VAL 31 2HG2 VAL 31 -4.591 -0.313 5.778 249 3HG2 VAL 31 3HG2 VAL 31 -3.792 0.570 7.101 250 H THR 32 H THR 32 -6.650 -2.380 7.010 251 HA THR 32 HA THR 32 -7.320 -0.356 8.738 252 HB THR 32 HB THR 32 -9.188 -1.058 7.583 253 HG1 THR 32 1HG THR 32 -10.411 -2.528 8.995 254 1HG2 THR 32 1HG2 THR 32 -7.826 -3.774 7.661 255 2HG2 THR 32 2HG2 THR 32 -9.561 -3.665 7.277 256 3HG2 THR 32 3HG2 THR 32 -8.368 -2.841 6.245 257 H THR 33 H THR 33 -6.117 -3.572 9.493 258 HA THR 33 HA THR 33 -7.138 -3.859 12.063 259 HB THR 33 HB THR 33 -6.054 -5.724 11.011 260 HG1 THR 33 1HG THR 33 -4.065 -4.517 12.792 261 1HG2 THR 33 1HG2 THR 33 -4.297 -5.438 9.582 262 2HG2 THR 33 2HG2 THR 33 -4.219 -3.715 10.023 263 3HG2 THR 33 3HG2 THR 33 -3.286 -4.915 10.951 264 H GLY 34 H GLY 34 -5.222 -1.333 10.866 265 1HA GLY 34 1HA GLY 34 -4.695 -0.442 13.592 266 2HA GLY 34 2HA GLY 34 -3.297 -0.675 12.561 267 H LYS 35 H LYS 35 -6.641 0.546 11.830 268 HA LYS 35 HA LYS 35 -5.878 2.429 10.004 269 1HB LYS 35 1HB LYS 35 -8.067 3.000 9.976 270 2HB LYS 35 2HB LYS 35 -8.229 1.536 10.925 271 1HG LYS 35 1HG LYS 35 -7.967 2.974 13.027 272 2HG LYS 35 2HG LYS 35 -8.041 4.389 11.995 273 1HD LYS 35 1HD LYS 35 -10.277 3.433 11.093 274 2HD LYS 35 2HD LYS 35 -10.211 2.294 12.423 275 1HE LYS 35 1HE LYS 35 -9.805 4.499 13.884 276 2HE LYS 35 2HE LYS 35 -10.552 5.298 12.515 277 1HZ LYS 35 1HZ LYS 35 -12.247 3.347 12.838 278 2HZ LYS 35 2HZ LYS 35 -11.709 3.420 14.378 279 3HZ LYS 35 3HZ LYS 35 -12.373 4.739 13.682 280 H SER 36 H SER 36 -5.459 2.428 13.484 281 HA SER 36 HA SER 36 -5.382 5.149 13.917 282 1HB SER 36 1HB SER 36 -5.426 3.452 15.719 283 2HB SER 36 2HB SER 36 -3.817 2.914 15.281 284 HG SER 36 HG SER 36 -3.024 4.456 16.521 285 H PHE 37 H PHE 37 -3.281 3.082 12.094 286 HA PHE 37 HA PHE 37 -1.111 5.043 12.271 287 1HB PHE 37 1HB PHE 37 -1.230 2.201 11.099 288 2HB PHE 37 2HB PHE 37 0.231 3.140 11.329 289 HD1 PHE 37 1HD PHE 37 -1.426 0.461 12.582 290 HD2 PHE 37 2HD PHE 37 0.286 4.095 13.950 291 HE1 PHE 37 1HE PHE 37 -1.148 -0.532 14.870 292 HE2 PHE 37 2HE PHE 37 0.564 3.102 16.238 293 HZ PHE 37 HZ PHE 37 -0.156 0.801 16.671 294 H TYR 38 H TYR 38 -3.173 3.138 9.995 295 HA TYR 38 HA TYR 38 -2.125 4.691 7.768 296 1HB TYR 38 1HB TYR 38 -3.597 2.146 8.356 297 2HB TYR 38 2HB TYR 38 -4.217 2.978 6.944 298 HD1 TYR 38 1HD TYR 38 -2.435 3.696 5.149 299 HD2 TYR 38 2HD TYR 38 -1.760 0.716 8.143 300 HE1 TYR 38 1HE TYR 38 -0.557 2.706 3.750 301 HE2 TYR 38 2HE TYR 38 0.116 -0.265 6.735 302 HH TYR 38 HH TYR 38 1.434 1.390 4.088 303 H GLY 39 H GLY 39 -5.127 4.183 9.679 304 1HA GLY 39 1HA GLY 39 -7.003 5.436 8.147 305 2HA GLY 39 2HA GLY 39 -6.948 5.492 9.898 306 H SER 40 H SER 40 -8.040 7.689 8.906 307 HA SER 40 HA SER 40 -6.700 9.671 7.800 308 1HB SER 40 1HB SER 40 -9.065 9.677 8.785 309 2HB SER 40 2HB SER 40 -8.346 10.081 10.331 310 HG SER 40 HG SER 40 -8.234 12.116 9.702 311 H GLY 41 H GLY 41 -5.135 11.257 8.355 312 1HA GLY 41 1HA GLY 41 -3.118 11.750 9.308 313 2HA GLY 41 2HA GLY 41 -4.175 12.151 10.646 314 H GLY 42 H GLY 42 -2.470 9.319 9.144 315 1HA GLY 42 1HA GLY 42 -1.875 8.377 11.881 316 2HA GLY 42 2HA GLY 42 -2.466 7.286 10.644 317 H ASP 43 H ASP 43 -0.106 6.537 11.666 318 HA ASP 43 HA ASP 43 2.203 7.617 10.950 319 1HB ASP 43 1HB ASP 43 1.319 4.705 10.807 320 2HB ASP 43 2HB ASP 43 2.990 5.168 10.548 321 H TYR 44 H TYR 44 0.109 5.470 8.887 322 HA TYR 44 HA TYR 44 1.732 6.208 6.561 323 1HB TYR 44 1HB TYR 44 -0.578 4.223 6.637 324 2HB TYR 44 2HB TYR 44 0.892 4.126 5.689 325 HD1 TYR 44 1HD TYR 44 -0.804 2.775 8.437 326 HD2 TYR 44 2HD TYR 44 3.127 3.900 7.175 327 HE1 TYR 44 1HE TYR 44 0.207 1.196 10.154 328 HE2 TYR 44 2HE TYR 44 4.124 2.317 8.896 329 HH TYR 44 HH TYR 44 3.381 1.348 11.093 330 H SER 45 H SER 45 0.498 8.432 7.061 331 HA SER 45 HA SER 45 -2.207 8.462 6.257 332 1HB SER 45 1HB SER 45 -1.534 10.193 7.747 333 2HB SER 45 2HB SER 45 -0.112 10.585 6.801 334 HG SER 45 HG SER 45 -1.935 12.120 6.585 335 H MET 46 H MET 46 0.970 8.857 4.688 336 HA MET 46 HA MET 46 -0.176 9.918 2.303 337 1HB MET 46 1HB MET 46 2.257 9.487 1.477 338 2HB MET 46 2HB MET 46 2.078 10.613 2.808 339 1HG MET 46 1HG MET 46 2.374 7.759 3.632 340 2HG MET 46 2HG MET 46 3.776 8.435 2.828 341 1HE MET 46 1HE MET 46 4.522 11.615 4.812 342 2HE MET 46 2HE MET 46 4.111 11.029 3.182 343 3HE MET 46 3HE MET 46 2.863 11.797 4.194 344 H PHE 47 H PHE 47 0.713 6.743 3.618 345 HA PHE 47 HA PHE 47 0.686 5.440 1.078 346 1HB PHE 47 1HB PHE 47 0.351 4.355 3.936 347 2HB PHE 47 2HB PHE 47 0.899 3.431 2.551 348 HD1 PHE 47 1HD PHE 47 2.509 6.271 1.857 349 HD2 PHE 47 2HD PHE 47 2.498 3.324 4.910 350 HE1 PHE 47 1HE PHE 47 4.888 6.842 2.417 351 HE2 PHE 47 2HE PHE 47 4.877 3.895 5.470 352 HZ PHE 47 HZ PHE 47 6.044 5.647 4.217 353 H ALA 48 H ALA 48 -1.652 6.152 3.679 354 HA ALA 48 HA ALA 48 -3.584 4.275 3.116 355 1HB ALA 48 1HB ALA 48 -3.467 5.940 5.028 356 2HB ALA 48 2HB ALA 48 -4.073 7.173 3.897 357 3HB ALA 48 3HB ALA 48 -5.075 5.755 4.289 358 H GLY 49 H GLY 49 -4.817 3.852 1.355 359 1HA GLY 49 1HA GLY 49 -5.863 4.114 -0.616 360 2HA GLY 49 2HA GLY 49 -6.074 5.804 -0.205 361 H LYS 50 H LYS 50 -2.882 4.187 -0.470 362 HA LYS 50 HA LYS 50 -2.442 5.072 -3.140 363 1HB LYS 50 1HB LYS 50 -1.320 6.684 -0.848 364 2HB LYS 50 2HB LYS 50 -0.501 6.606 -2.394 365 1HG LYS 50 1HG LYS 50 -2.951 7.167 -3.341 366 2HG LYS 50 2HG LYS 50 -3.189 7.806 -1.727 367 1HD LYS 50 1HD LYS 50 -1.082 8.652 -3.760 368 2HD LYS 50 2HD LYS 50 -2.386 9.627 -3.112 369 1HE LYS 50 1HE LYS 50 -1.348 9.467 -0.825 370 2HE LYS 50 2HE LYS 50 -0.030 8.531 -1.501 371 1HZ LYS 50 1HZ LYS 50 0.464 10.892 -1.326 372 2HZ LYS 50 2HZ LYS 50 0.550 10.378 -2.874 373 3HZ LYS 50 3HZ LYS 50 -0.740 11.246 -2.372 374 H ASP 51 H ASP 51 -0.395 4.280 -3.974 375 HA ASP 51 HA ASP 51 0.437 1.987 -2.468 376 1HB ASP 51 1HB ASP 51 -0.027 1.976 -4.974 377 2HB ASP 51 2HB ASP 51 1.388 2.987 -5.193 378 H ALA 52 H ALA 52 2.031 2.397 -0.914 379 HA ALA 52 HA ALA 52 4.047 4.422 -1.548 380 1HB ALA 52 1HB ALA 52 4.529 4.110 0.965 381 2HB ALA 52 2HB ALA 52 2.985 4.878 0.525 382 3HB ALA 52 3HB ALA 52 3.020 3.167 1.015 383 H SER 53 H SER 53 4.640 2.482 -3.170 384 HA SER 53 HA SER 53 5.974 0.320 -1.936 385 1HB SER 53 1HB SER 53 5.793 1.368 -4.780 386 2HB SER 53 2HB SER 53 6.862 0.038 -4.382 387 HG SER 53 HG SER 53 3.998 0.122 -3.942 388 H ARG 54 H ARG 54 7.048 3.253 -3.804 389 HA ARG 54 HA ARG 54 9.740 2.772 -3.489 390 1HB ARG 54 1HB ARG 54 8.339 5.483 -3.733 391 2HB ARG 54 2HB ARG 54 10.021 5.168 -4.111 392 1HG ARG 54 1HG ARG 54 8.420 3.246 -5.554 393 2HG ARG 54 2HG ARG 54 7.715 4.830 -5.811 394 1HD ARG 54 1HD ARG 54 10.715 4.400 -6.088 395 2HD ARG 54 2HD ARG 54 9.632 4.045 -7.419 396 HE ARG 54 HE ARG 54 8.946 6.633 -6.501 397 1HH1 ARG 54 2HH2 ARG 54 11.724 5.033 -7.951 398 2HH1 ARG 54 1HH2 ARG 54 12.309 6.469 -8.723 399 1HH2 ARG 54 2HH1 ARG 54 9.718 8.528 -7.519 400 2HH2 ARG 54 1HH1 ARG 54 11.161 8.470 -8.475 401 H ALA 55 H ALA 55 7.441 4.840 -1.584 402 HA ALA 55 HA ALA 55 9.314 5.831 0.220 403 1HB ALA 55 1HB ALA 55 6.723 5.450 1.443 404 2HB ALA 55 2HB ALA 55 7.477 6.953 0.861 405 3HB ALA 55 3HB ALA 55 6.514 5.953 -0.252 406 H LEU 56 H LEU 56 7.542 2.735 0.037 407 HA LEU 56 HA LEU 56 8.218 1.955 2.690 408 1HB LEU 56 1HB LEU 56 6.981 0.658 0.295 409 2HB LEU 56 2HB LEU 56 7.554 -0.347 1.611 410 HG LEU 56 HG LEU 56 5.630 1.943 2.053 411 1HD1 LEU 56 1HD1 LEU 56 3.815 0.708 1.513 412 2HD1 LEU 56 2HD1 LEU 56 4.971 -0.081 0.413 413 3HD1 LEU 56 3HD1 LEU 56 4.578 -0.831 1.979 414 1HD2 LEU 56 1HD2 LEU 56 5.113 0.049 3.948 415 2HD2 LEU 56 2HD2 LEU 56 6.870 -0.133 3.733 416 3HD2 LEU 56 3HD2 LEU 56 6.187 1.452 4.168 417 H GLY 57 H GLY 57 9.569 1.410 -0.605 418 1HA GLY 57 1HA GLY 57 11.505 -0.481 0.078 419 2HA GLY 57 2HA GLY 57 11.564 0.628 -1.278 420 H LYS 58 H LYS 58 12.273 2.950 -0.786 421 HA LYS 58 HA LYS 58 14.732 2.884 0.533 422 1HB LYS 58 1HB LYS 58 13.159 5.381 -0.123 423 2HB LYS 58 2HB LYS 58 14.898 5.187 -0.036 424 1HG LYS 58 1HG LYS 58 14.848 4.816 -2.278 425 2HG LYS 58 2HG LYS 58 14.168 3.243 -1.908 426 1HD LYS 58 1HD LYS 58 12.073 3.837 -2.621 427 2HD LYS 58 2HD LYS 58 12.151 5.413 -1.858 428 1HE LYS 58 1HE LYS 58 14.013 5.173 -4.143 429 2HE LYS 58 2HE LYS 58 12.345 4.907 -4.609 430 1HZ LYS 58 1HZ LYS 58 11.797 7.009 -4.091 431 2HZ LYS 58 2HZ LYS 58 12.853 7.141 -2.853 432 3HZ LYS 58 3HZ LYS 58 13.377 7.290 -4.393 433 H MET 59 H MET 59 11.470 3.259 1.696 434 HA MET 59 HA MET 59 10.662 3.495 3.702 435 1HB MET 59 1HB MET 59 13.572 3.408 4.676 436 2HB MET 59 2HB MET 59 12.164 3.176 5.692 437 1HG MET 59 1HG MET 59 11.796 1.022 4.937 438 2HG MET 59 2HG MET 59 12.276 1.399 3.294 439 1HE MET 59 1HE MET 59 12.787 -0.918 5.487 440 2HE MET 59 2HE MET 59 14.511 -1.201 5.827 441 3HE MET 59 3HE MET 59 13.594 -0.024 6.797 442 H SER 60 H SER 60 10.675 5.794 2.353 443 HA SER 60 HA SER 60 11.819 7.736 4.204 444 1HB SER 60 1HB SER 60 12.364 7.613 1.577 445 2HB SER 60 2HB SER 60 10.870 8.520 1.454 446 HG SER 60 HG SER 60 12.785 9.888 1.646 447 H LYS 61 H LYS 61 8.955 6.842 2.190 448 HA LYS 61 HA LYS 61 6.785 7.047 2.727 449 1HB LYS 61 1HB LYS 61 7.429 8.976 4.960 450 2HB LYS 61 2HB LYS 61 5.993 7.995 4.746 451 1HG LYS 61 1HG LYS 61 7.922 6.035 4.758 452 2HG LYS 61 2HG LYS 61 8.681 7.222 5.800 453 1HD LYS 61 1HD LYS 61 6.272 7.312 6.948 454 2HD LYS 61 2HD LYS 61 6.072 5.741 6.198 455 1HE LYS 61 1HE LYS 61 6.963 5.336 8.405 456 2HE LYS 61 2HE LYS 61 8.270 5.025 7.280 457 1HZ LYS 61 1HZ LYS 61 7.893 7.613 8.612 458 2HZ LYS 61 2HZ LYS 61 8.858 6.434 9.199 459 3HZ LYS 61 3HZ LYS 61 9.196 7.124 7.758 460 H ASN 62 H ASN 62 8.740 8.821 1.111 461 HA ASN 62 HA ASN 62 7.862 11.405 1.119 462 1HB ASN 62 1HB ASN 62 9.223 9.577 -0.808 463 2HB ASN 62 2HB ASN 62 8.392 10.917 -1.573 464 1HD2 ASN 62 1HD2 ASN 62 8.826 13.086 -0.781 465 2HD2 ASN 62 2HD2 ASN 62 10.406 13.495 -0.199 466 H GLU 63 H GLU 63 6.240 12.525 -0.215 467 HA GLU 63 HA GLU 63 3.925 10.948 -0.630 468 1HB GLU 63 1HB GLU 63 4.281 13.520 0.084 469 2HB GLU 63 2HB GLU 63 4.112 13.774 -1.641 470 1HG GLU 63 1HG GLU 63 2.022 12.053 -1.224 471 2HG GLU 63 2HG GLU 63 2.085 12.825 0.348 472 H GLU 64 H GLU 64 6.627 12.051 -2.576 473 HA GLU 64 HA GLU 64 5.159 11.660 -5.021 474 1HB GLU 64 1HB GLU 64 8.056 12.036 -5.304 475 2HB GLU 64 2HB GLU 64 6.740 12.992 -5.958 476 1HG GLU 64 1HG GLU 64 7.559 14.576 -4.499 477 2HG GLU 64 2HG GLU 64 6.516 13.744 -3.364 478 H ASP 65 H ASP 65 7.192 9.898 -2.800 479 HA ASP 65 HA ASP 65 8.378 8.142 -4.583 480 1HB ASP 65 1HB ASP 65 7.896 8.335 -1.673 481 2HB ASP 65 2HB ASP 65 7.920 6.675 -2.232 482 H VAL 66 H VAL 66 5.267 8.111 -2.730 483 HA VAL 66 HA VAL 66 4.324 5.651 -3.005 484 HB VAL 66 HB VAL 66 2.916 8.266 -3.554 485 1HG1 VAL 66 1HG1 VAL 66 1.856 5.947 -4.375 486 2HG1 VAL 66 2HG1 VAL 66 1.377 5.870 -2.662 487 3HG1 VAL 66 3HG1 VAL 66 0.874 7.251 -3.666 488 1HG2 VAL 66 1HG2 VAL 66 3.869 6.931 -1.169 489 2HG2 VAL 66 2HG2 VAL 66 3.148 8.548 -1.352 490 3HG2 VAL 66 3HG2 VAL 66 2.101 7.129 -1.109 491 H SER 67 H SER 67 4.577 4.212 -4.638 492 HA SER 67 HA SER 67 3.958 5.216 -7.306 493 1HB SER 67 1HB SER 67 6.255 3.637 -6.293 494 2HB SER 67 2HB SER 67 5.520 2.961 -7.733 495 HG SER 67 HG SER 67 7.267 4.587 -8.088 496 HA PRO 68 HA PRO 68 0.900 2.069 -6.762 497 1HB PRO 68 1HB PRO 68 -0.743 2.855 -8.800 498 2HB PRO 68 2HB PRO 68 -0.848 3.510 -7.178 499 1HG PRO 68 1HG PRO 68 0.267 4.761 -9.613 500 2HG PRO 68 2HG PRO 68 -0.232 5.524 -8.116 501 1HD PRO 68 1HD PRO 68 2.458 4.994 -8.958 502 2HD PRO 68 2HD PRO 68 1.954 5.651 -7.414 503 H SER 69 H SER 69 3.348 2.243 -8.770 504 HA SER 69 HA SER 69 2.654 -0.314 -9.866 505 1HB SER 69 1HB SER 69 2.030 1.766 -11.470 506 2HB SER 69 2HB SER 69 3.732 1.650 -11.872 507 HG SER 69 HG SER 69 3.354 -0.663 -12.337 508 H LEU 70 H LEU 70 4.612 -1.423 -10.785 509 HA LEU 70 HA LEU 70 6.933 -0.663 -9.275 510 1HB LEU 70 1HB LEU 70 6.122 -2.999 -10.965 511 2HB LEU 70 2HB LEU 70 7.811 -2.765 -10.560 512 HG LEU 70 HG LEU 70 5.525 -3.127 -8.604 513 1HD1 LEU 70 1HD1 LEU 70 7.721 -4.935 -9.595 514 2HD1 LEU 70 2HD1 LEU 70 6.946 -5.190 -8.013 515 3HD1 LEU 70 3HD1 LEU 70 5.969 -5.234 -9.500 516 1HD2 LEU 70 1HD2 LEU 70 6.928 -1.718 -7.425 517 2HD2 LEU 70 2HD2 LEU 70 7.536 -3.326 -6.964 518 3HD2 LEU 70 3HD2 LEU 70 8.400 -2.365 -8.188 519 H GLU 71 H GLU 71 6.439 1.466 -10.880 520 HA GLU 71 HA GLU 71 8.325 1.085 -13.072 521 1HB GLU 71 1HB GLU 71 5.753 2.527 -12.860 522 2HB GLU 71 2HB GLU 71 7.026 3.501 -13.567 523 1HG GLU 71 1HG GLU 71 7.360 1.006 -14.813 524 2HG GLU 71 2HG GLU 71 5.619 1.160 -14.686 525 H GLY 72 H GLY 72 9.982 1.323 -11.258 526 1HA GLY 72 1HA GLY 72 11.535 3.399 -11.293 527 2HA GLY 72 2HA GLY 72 10.259 4.092 -10.313 528 H LEU 73 H LEU 73 9.870 0.999 -9.444 529 HA LEU 73 HA LEU 73 11.233 1.323 -6.994 530 1HB LEU 73 1HB LEU 73 9.540 -0.756 -8.290 531 2HB LEU 73 2HB LEU 73 10.534 -1.244 -6.932 532 HG LEU 73 HG LEU 73 8.193 -0.624 -6.340 533 1HD1 LEU 73 1HD1 LEU 73 10.319 1.120 -5.066 534 2HD1 LEU 73 2HD1 LEU 73 8.764 0.641 -4.345 535 3HD1 LEU 73 3HD1 LEU 73 10.006 -0.589 -4.679 536 1HD2 LEU 73 1HD2 LEU 73 9.058 2.197 -7.033 537 2HD2 LEU 73 2HD2 LEU 73 7.909 1.205 -7.962 538 3HD2 LEU 73 3HD2 LEU 73 7.511 1.708 -6.301 539 H THR 74 H THR 74 13.444 1.461 -7.064 540 HA THR 74 HA THR 74 14.942 -0.259 -8.820 541 HB THR 74 HB THR 74 16.820 1.058 -8.008 542 HG1 THR 74 1HG THR 74 16.219 2.475 -6.058 543 1HG2 THR 74 1HG2 THR 74 16.058 2.981 -8.975 544 2HG2 THR 74 2HG2 THR 74 14.392 2.368 -8.845 545 3HG2 THR 74 3HG2 THR 74 15.091 3.331 -7.522 546 H GLU 75 H GLU 75 17.112 -1.123 -7.494 547 HA GLU 75 HA GLU 75 16.079 -3.378 -6.206 548 1HB GLU 75 1HB GLU 75 18.645 -2.428 -7.185 549 2HB GLU 75 2HB GLU 75 18.857 -3.142 -5.598 550 1HG GLU 75 1HG GLU 75 17.122 -4.945 -6.842 551 2HG GLU 75 2HG GLU 75 18.152 -4.439 -8.167 552 H LYS 76 H LYS 76 17.657 -0.348 -5.062 553 HA LYS 76 HA LYS 76 18.053 -1.041 -2.430 554 1HB LYS 76 1HB LYS 76 18.508 1.174 -2.098 555 2HB LYS 76 2HB LYS 76 18.644 1.102 -3.843 556 1HG LYS 76 1HG LYS 76 16.386 1.983 -4.136 557 2HG LYS 76 2HG LYS 76 16.043 1.831 -2.424 558 1HD LYS 76 1HD LYS 76 16.717 3.996 -2.233 559 2HD LYS 76 2HD LYS 76 18.353 3.396 -2.425 560 1HE LYS 76 1HE LYS 76 18.060 3.622 -4.951 561 2HE LYS 76 2HE LYS 76 16.514 4.392 -4.652 562 1HZ LYS 76 1HZ LYS 76 18.159 5.750 -3.043 563 2HZ LYS 76 2HZ LYS 76 19.143 5.438 -4.308 564 3HZ LYS 76 3HZ LYS 76 17.732 6.225 -4.546 565 H GLU 77 H GLU 77 15.122 0.456 -3.961 566 HA GLU 77 HA GLU 77 13.692 0.277 -1.528 567 1HB GLU 77 1HB GLU 77 11.718 0.785 -3.216 568 2HB GLU 77 2HB GLU 77 12.906 2.021 -2.851 569 1HG GLU 77 1HG GLU 77 13.879 0.341 -5.027 570 2HG GLU 77 2HG GLU 77 12.270 0.923 -5.408 571 H ILE 78 H ILE 78 13.897 -1.628 -4.575 572 HA ILE 78 HA ILE 78 11.742 -3.293 -4.194 573 HB ILE 78 HB ILE 78 14.367 -3.512 -5.598 574 1HG1 ILE 78 1HG1 ILE 78 11.911 -2.448 -6.256 575 2HG1 ILE 78 2HG1 ILE 78 13.191 -2.862 -7.379 576 1HG2 ILE 78 1HG2 ILE 78 12.357 -5.775 -5.468 577 2HG2 ILE 78 2HG2 ILE 78 13.847 -5.717 -6.438 578 3HG2 ILE 78 3HG2 ILE 78 13.944 -5.762 -4.662 579 1HD1 ILE 78 1HD1 ILE 78 10.933 -4.723 -6.504 580 2HD1 ILE 78 2HD1 ILE 78 11.058 -3.897 -8.075 581 3HD1 ILE 78 3HD1 ILE 78 12.238 -5.154 -7.635 582 H ASN 79 H ASN 79 15.127 -3.601 -2.951 583 HA ASN 79 HA ASN 79 14.982 -6.029 -1.835 584 1HB ASN 79 1HB ASN 79 16.501 -3.554 -1.368 585 2HB ASN 79 2HB ASN 79 16.274 -4.428 0.134 586 1HD2 ASN 79 1HD2 ASN 79 18.334 -3.998 -2.297 587 2HD2 ASN 79 2HD2 ASN 79 19.131 -5.534 -2.385 588 H THR 80 H THR 80 14.059 -2.854 -0.297 589 HA THR 80 HA THR 80 12.888 -4.198 1.971 590 HB THR 80 HB THR 80 13.161 -1.291 1.058 591 HG1 THR 80 1HG THR 80 15.024 -2.624 1.860 592 1HG2 THR 80 1HG2 THR 80 12.572 -0.820 3.509 593 2HG2 THR 80 2HG2 THR 80 11.193 -1.330 2.505 594 3HG2 THR 80 3HG2 THR 80 11.969 -2.492 3.608 595 H LEU 81 H LEU 81 11.725 -2.343 -0.901 596 HA LEU 81 HA LEU 81 9.039 -2.401 -0.232 597 1HB LEU 81 1HB LEU 81 9.706 -0.949 -1.921 598 2HB LEU 81 2HB LEU 81 10.568 -2.195 -2.802 599 HG LEU 81 HG LEU 81 8.377 -1.329 -3.790 600 1HD1 LEU 81 1HD1 LEU 81 8.460 -3.150 -5.061 601 2HD1 LEU 81 2HD1 LEU 81 9.641 -3.815 -3.907 602 3HD1 LEU 81 3HD1 LEU 81 7.911 -4.191 -3.725 603 1HD2 LEU 81 1HD2 LEU 81 7.170 -1.468 -1.560 604 2HD2 LEU 81 2HD2 LEU 81 6.306 -2.113 -2.976 605 3HD2 LEU 81 3HD2 LEU 81 7.085 -3.226 -1.826 606 H ASN 82 H ASN 82 10.882 -4.670 -2.396 607 HA ASN 82 HA ASN 82 8.859 -6.373 -2.916 608 1HB ASN 82 1HB ASN 82 11.372 -6.375 -3.690 609 2HB ASN 82 2HB ASN 82 11.671 -7.373 -2.281 610 1HD2 ASN 82 1HD2 ASN 82 10.508 -7.221 -5.476 611 2HD2 ASN 82 2HD2 ASN 82 9.997 -8.864 -5.675 612 H ASP 83 H ASP 83 11.110 -6.264 -0.082 613 HA ASP 83 HA ASP 83 10.132 -8.619 1.074 614 1HB ASP 83 1HB ASP 83 12.003 -6.437 1.750 615 2HB ASP 83 2HB ASP 83 11.148 -7.029 3.160 616 H TRP 84 H TRP 84 9.237 -5.172 1.107 617 HA TRP 84 HA TRP 84 7.741 -5.113 3.461 618 1HB TRP 84 1HB TRP 84 8.130 -3.444 1.090 619 2HB TRP 84 2HB TRP 84 6.511 -3.328 1.750 620 HD1 TRP 84 HD TRP 84 9.335 -1.301 2.000 621 HE1 TRP 84 1HE TRP 84 9.767 -0.122 4.321 622 HE3 TRP 84 3HE TRP 84 6.341 -4.385 4.717 623 HZ2 TRP 84 2HZ TRP 84 8.828 -0.601 6.973 624 HZ3 TRP 84 3HZ TRP 84 6.153 -3.960 7.166 625 HH2 TRP 84 HH TRP 84 7.336 -2.145 8.297 626 H GLU 85 H GLU 85 6.970 -6.031 0.056 627 HA GLU 85 HA GLU 85 4.249 -6.304 0.413 628 1HB GLU 85 1HB GLU 85 4.720 -6.413 -1.823 629 2HB GLU 85 2HB GLU 85 6.284 -7.161 -1.567 630 1HG GLU 85 1HG GLU 85 3.753 -8.755 -1.058 631 2HG GLU 85 2HG GLU 85 4.335 -8.549 -2.698 632 H THR 86 H THR 86 6.945 -8.692 0.784 633 HA THR 86 HA THR 86 5.272 -10.875 1.403 634 HB THR 86 HB THR 86 8.175 -10.153 1.432 635 HG1 THR 86 1HG THR 86 6.995 -11.359 -0.252 636 1HG2 THR 86 1HG2 THR 86 8.359 -12.643 2.493 637 2HG2 THR 86 2HG2 THR 86 8.464 -11.185 3.509 638 3HG2 THR 86 3HG2 THR 86 6.928 -12.077 3.389 639 H LYS 87 H LYS 87 6.663 -8.233 3.356 640 HA LYS 87 HA LYS 87 5.993 -9.488 5.825 641 1HB LYS 87 1HB LYS 87 6.732 -6.619 5.174 642 2HB LYS 87 2HB LYS 87 6.604 -7.291 6.787 643 1HG LYS 87 1HG LYS 87 8.501 -8.672 6.519 644 2HG LYS 87 2HG LYS 87 8.374 -8.688 4.771 645 1HD LYS 87 1HD LYS 87 9.372 -6.575 4.531 646 2HD LYS 87 2HD LYS 87 8.879 -6.039 6.124 647 1HE LYS 87 1HE LYS 87 10.753 -8.379 6.054 648 2HE LYS 87 2HE LYS 87 11.423 -6.847 5.530 649 1HZ LYS 87 1HZ LYS 87 11.702 -7.010 7.843 650 2HZ LYS 87 2HZ LYS 87 10.522 -5.904 7.617 651 3HZ LYS 87 3HZ LYS 87 10.143 -7.415 8.108 652 H PHE 88 H PHE 88 4.511 -6.998 3.677 653 HA PHE 88 HA PHE 88 2.359 -6.493 5.440 654 1HB PHE 88 1HB PHE 88 3.342 -5.835 2.701 655 2HB PHE 88 2HB PHE 88 1.592 -5.895 2.778 656 HD1 PHE 88 1HD PHE 88 3.771 -4.818 5.562 657 HD2 PHE 88 2HD PHE 88 1.161 -3.587 2.450 658 HE1 PHE 88 1HE PHE 88 3.733 -2.495 6.512 659 HE2 PHE 88 2HE PHE 88 1.123 -1.264 3.401 660 HZ PHE 88 HZ PHE 88 2.409 -0.746 5.420 661 H GLU 89 H GLU 89 2.832 -8.611 2.552 662 HA GLU 89 HA GLU 89 0.137 -9.422 2.521 663 1HB GLU 89 1HB GLU 89 0.760 -10.813 0.714 664 2HB GLU 89 2HB GLU 89 1.878 -9.468 0.601 665 1HG GLU 89 1HG GLU 89 3.397 -11.215 0.446 666 2HG GLU 89 2HG GLU 89 3.390 -11.013 2.187 667 H ALA 90 H ALA 90 2.914 -10.264 4.440 668 HA ALA 90 HA ALA 90 1.885 -12.894 5.097 669 1HB ALA 90 1HB ALA 90 3.943 -12.913 6.573 670 2HB ALA 90 2HB ALA 90 4.272 -12.695 4.837 671 3HB ALA 90 3HB ALA 90 4.332 -11.296 5.937 672 H LYS 91 H LYS 91 1.491 -9.602 6.055 673 HA LYS 91 HA LYS 91 0.442 -10.502 8.649 674 1HB LYS 91 1HB LYS 91 2.117 -8.184 7.880 675 2HB LYS 91 2HB LYS 91 0.791 -7.819 8.965 676 1HG LYS 91 1HG LYS 91 2.088 -10.291 9.806 677 2HG LYS 91 2HG LYS 91 3.291 -9.029 9.623 678 1HD LYS 91 1HD LYS 91 0.744 -8.273 11.030 679 2HD LYS 91 2HD LYS 91 1.830 -9.346 11.890 680 1HE LYS 91 1HE LYS 91 3.663 -7.750 11.746 681 2HE LYS 91 2HE LYS 91 2.781 -6.743 10.615 682 1HZ LYS 91 1HZ LYS 91 1.117 -6.443 12.402 683 2HZ LYS 91 2HZ LYS 91 2.124 -7.205 13.437 684 3HZ LYS 91 3HZ LYS 91 2.579 -5.799 12.741 685 H TYR 92 H TYR 92 0.057 -7.695 6.369 686 HA TYR 92 HA TYR 92 -2.681 -7.414 7.024 687 1HB TYR 92 1HB TYR 92 -0.789 -6.492 4.781 688 2HB TYR 92 2HB TYR 92 -2.450 -5.939 4.849 689 HD1 TYR 92 1HD TYR 92 0.374 -4.458 5.120 690 HD2 TYR 92 2HD TYR 92 -2.693 -5.622 7.866 691 HE1 TYR 92 1HE TYR 92 1.059 -2.580 6.692 692 HE2 TYR 92 2HE TYR 92 -1.999 -3.741 9.428 693 HH TYR 92 HH TYR 92 0.921 -2.026 8.997 694 HA PRO 93 HA PRO 93 -4.350 -10.321 4.269 695 1HB PRO 93 1HB PRO 93 -6.978 -9.580 4.391 696 2HB PRO 93 2HB PRO 93 -6.213 -10.602 5.592 697 1HG PRO 93 1HG PRO 93 -6.966 -7.750 5.792 698 2HG PRO 93 2HG PRO 93 -6.605 -8.883 7.080 699 1HD PRO 93 1HD PRO 93 -4.883 -6.820 6.076 700 2HD PRO 93 2HD PRO 93 -4.481 -8.026 7.282 701 H VAL 94 H VAL 94 -4.523 -10.619 2.114 702 HA VAL 94 HA VAL 94 -4.606 -8.126 0.623 703 HB VAL 94 HB VAL 94 -4.073 -10.961 -0.287 704 1HG1 VAL 94 1HG1 VAL 94 -2.875 -8.765 -1.809 705 2HG1 VAL 94 2HG1 VAL 94 -3.810 -10.173 -2.369 706 3HG1 VAL 94 3HG1 VAL 94 -4.655 -8.712 -1.803 707 1HG2 VAL 94 1HG2 VAL 94 -2.483 -9.356 1.386 708 2HG2 VAL 94 2HG2 VAL 94 -1.991 -10.825 0.509 709 3HG2 VAL 94 3HG2 VAL 94 -1.752 -9.224 -0.232 710 H VAL 95 H VAL 95 -6.600 -7.357 0.140 711 HA VAL 95 HA VAL 95 -8.776 -9.242 -0.173 712 HB VAL 95 HB VAL 95 -10.159 -7.234 -0.251 713 1HG1 VAL 95 1HG1 VAL 95 -8.269 -7.806 1.960 714 2HG1 VAL 95 2HG1 VAL 95 -9.111 -6.241 2.048 715 3HG1 VAL 95 3HG1 VAL 95 -10.048 -7.751 1.951 716 1HG2 VAL 95 1HG2 VAL 95 -8.129 -5.913 -1.354 717 2HG2 VAL 95 2HG2 VAL 95 -9.396 -5.079 -0.423 718 3HG2 VAL 95 3HG2 VAL 95 -7.831 -5.451 0.339 719 H GLY 96 H GLY 96 -6.362 -7.725 -2.094 720 1HA GLY 96 1HA GLY 96 -7.094 -8.908 -4.466 721 2HA GLY 96 2HA GLY 96 -7.882 -7.343 -4.481 722 H ARG 97 H ARG 97 -6.195 -7.404 -6.449 723 HA ARG 97 HA ARG 97 -3.771 -6.183 -5.396 724 1HB ARG 97 1HB ARG 97 -2.453 -7.360 -6.894 725 2HB ARG 97 2HB ARG 97 -3.770 -8.512 -6.792 726 1HG ARG 97 1HG ARG 97 -3.646 -6.281 -8.874 727 2HG ARG 97 2HG ARG 97 -3.052 -7.904 -9.164 728 1HD ARG 97 1HD ARG 97 -5.669 -8.246 -8.091 729 2HD ARG 97 2HD ARG 97 -5.804 -6.919 -9.228 730 HE ARG 97 HE ARG 97 -5.421 -8.414 -10.987 731 1HH1 ARG 97 2HH2 ARG 97 -4.391 -9.900 -7.968 732 2HH1 ARG 97 1HH2 ARG 97 -4.091 -11.449 -8.684 733 1HH2 ARG 97 2HH1 ARG 97 -5.026 -10.457 -11.932 734 2HH2 ARG 97 1HH1 ARG 97 -4.455 -11.768 -10.954 735 H VAL 98 H VAL 98 -3.227 -4.148 -6.254 736 HA VAL 98 HA VAL 98 -5.148 -2.591 -7.409 737 HB VAL 98 HB VAL 98 -2.145 -2.451 -7.325 738 1HG1 VAL 98 1HG1 VAL 98 -2.354 -0.071 -8.087 739 2HG1 VAL 98 2HG1 VAL 98 -2.695 -1.276 -9.352 740 3HG1 VAL 98 3HG1 VAL 98 -4.036 -0.420 -8.553 741 1HG2 VAL 98 1HG2 VAL 98 -4.438 -1.304 -5.778 742 2HG2 VAL 98 2HG2 VAL 98 -2.896 -1.983 -5.205 743 3HG2 VAL 98 3HG2 VAL 98 -2.941 -0.351 -5.913 744 H VAL 99 H VAL 99 -5.672 -1.917 -9.525 745 HA VAL 99 HA VAL 99 -4.398 -3.485 -11.654 746 HB VAL 99 HB VAL 99 -6.934 -3.153 -12.562 747 1HG1 VAL 99 1HG1 VAL 99 -7.266 -5.572 -11.826 748 2HG1 VAL 99 2HG1 VAL 99 -5.806 -5.226 -12.783 749 3HG1 VAL 99 3HG1 VAL 99 -5.685 -5.439 -11.020 750 1HG2 VAL 99 1HG2 VAL 99 -8.499 -3.784 -10.782 751 2HG2 VAL 99 2HG2 VAL 99 -7.185 -3.698 -9.584 752 3HG2 VAL 99 3HG2 VAL 99 -7.720 -2.224 -10.426 753 H SER 100 H SER 100 -7.122 -1.191 -11.946 754 HA SER 100 HA SER 100 -5.257 0.581 -13.315 755 1HB SER 100 1HB SER 100 -8.076 -0.266 -13.856 756 2HB SER 100 2HB SER 100 -7.704 1.413 -14.194 757 HG SER 100 HG SER 100 -6.911 0.676 -16.039 Start of MODEL 3 1 1H GLY -1 H GLY -1 -10.557 -14.553 -10.332 2 1HA GLY -1 1HA GLY -1 -7.910 -13.516 -9.696 3 2HA GLY -1 2HA GLY -1 -8.903 -12.518 -10.740 4 HA PRO 0 HA PRO 0 -10.127 -12.072 -6.260 5 1HB PRO 0 1HB PRO 0 -8.583 -9.984 -5.410 6 2HB PRO 0 2HB PRO 0 -8.195 -11.660 -5.078 7 1HG PRO 0 1HG PRO 0 -6.947 -9.819 -7.026 8 2HG PRO 0 2HG PRO 0 -6.321 -11.324 -6.381 9 1HD PRO 0 1HD PRO 0 -7.466 -10.914 -8.979 10 2HD PRO 0 2HD PRO 0 -6.947 -12.440 -8.291 11 H MET 1 H MET 1 -10.493 -9.569 -5.134 12 HA MET 1 HA MET 1 -12.611 -8.720 -6.743 13 1HB MET 1 1HB MET 1 -11.155 -7.536 -4.325 14 2HB MET 1 2HB MET 1 -12.544 -6.738 -5.033 15 1HG MET 1 1HG MET 1 -13.646 -9.181 -4.784 16 2HG MET 1 2HG MET 1 -12.417 -9.364 -3.548 17 1HE MET 1 1HE MET 1 -12.950 -7.063 -0.918 18 2HE MET 1 2HE MET 1 -13.747 -8.651 -0.817 19 3HE MET 1 3HE MET 1 -12.186 -8.490 -1.658 20 H GLU 2 H GLU 2 -9.207 -7.729 -6.432 21 HA GLU 2 HA GLU 2 -7.992 -6.241 -7.447 22 1HB GLU 2 1HB GLU 2 -10.047 -6.504 -9.688 23 2HB GLU 2 2HB GLU 2 -8.437 -5.835 -9.868 24 1HG GLU 2 1HG GLU 2 -7.503 -7.900 -10.029 25 2HG GLU 2 2HG GLU 2 -8.292 -8.444 -8.562 26 H PHE 3 H PHE 3 -7.911 -4.236 -6.522 27 HA PHE 3 HA PHE 3 -10.254 -2.514 -6.897 28 1HB PHE 3 1HB PHE 3 -7.929 -2.591 -4.882 29 2HB PHE 3 2HB PHE 3 -9.138 -1.322 -4.889 30 HD1 PHE 3 1HD PHE 3 -11.386 -1.739 -4.091 31 HD2 PHE 3 2HD PHE 3 -8.505 -4.854 -4.156 32 HE1 PHE 3 1HE PHE 3 -12.853 -3.127 -2.600 33 HE2 PHE 3 2HE PHE 3 -9.971 -6.242 -2.665 34 HZ PHE 3 HZ PHE 3 -12.128 -5.362 -1.905 35 H THR 4 H THR 4 -10.064 -0.660 -8.085 36 HA THR 4 HA THR 4 -7.543 -0.152 -9.374 37 HB THR 4 HB THR 4 -8.902 1.463 -10.651 38 HG1 THR 4 1HG THR 4 -11.074 0.745 -8.854 39 1HG2 THR 4 1HG2 THR 4 -9.448 -0.759 -11.420 40 2HG2 THR 4 2HG2 THR 4 -10.355 -1.125 -9.933 41 3HG2 THR 4 3HG2 THR 4 -11.017 0.026 -11.119 42 H ALA 5 H ALA 5 -6.484 1.967 -9.420 43 HA ALA 5 HA ALA 5 -5.762 2.798 -6.899 44 1HB ALA 5 1HB ALA 5 -4.314 3.272 -8.708 45 2HB ALA 5 2HB ALA 5 -5.605 4.056 -9.651 46 3HB ALA 5 3HB ALA 5 -4.933 4.866 -8.215 47 H GLU 6 H GLU 6 -8.522 3.713 -8.929 48 HA GLU 6 HA GLU 6 -9.072 6.091 -7.528 49 1HB GLU 6 1HB GLU 6 -10.453 4.393 -9.578 50 2HB GLU 6 2HB GLU 6 -11.465 5.481 -8.649 51 1HG GLU 6 1HG GLU 6 -10.639 6.573 -10.723 52 2HG GLU 6 2HG GLU 6 -10.064 7.409 -9.295 53 H GLN 7 H GLN 7 -10.330 2.700 -7.381 54 HA GLN 7 HA GLN 7 -12.145 3.328 -5.315 55 1HB GLN 7 1HB GLN 7 -11.345 0.959 -6.883 56 2HB GLN 7 2HB GLN 7 -11.740 0.564 -5.222 57 1HG GLN 7 1HG GLN 7 -13.617 2.453 -6.600 58 2HG GLN 7 2HG GLN 7 -13.613 0.806 -7.198 59 1HE2 GLN 7 1HE2 GLN 7 -15.798 1.980 -5.965 60 2HE2 GLN 7 2HE2 GLN 7 -16.132 1.191 -4.460 61 H LEU 8 H LEU 8 -8.801 2.051 -5.513 62 HA LEU 8 HA LEU 8 -8.624 1.261 -2.820 63 1HB LEU 8 1HB LEU 8 -7.093 0.315 -4.289 64 2HB LEU 8 2HB LEU 8 -6.670 1.853 -5.014 65 HG LEU 8 HG LEU 8 -5.881 2.207 -2.390 66 1HD1 LEU 8 1HD1 LEU 8 -6.247 -0.559 -2.656 67 2HD1 LEU 8 2HD1 LEU 8 -4.491 -0.297 -2.784 68 3HD1 LEU 8 3HD1 LEU 8 -5.379 0.305 -1.363 69 1HD2 LEU 8 1HD2 LEU 8 -3.626 2.098 -3.248 70 2HD2 LEU 8 2HD2 LEU 8 -4.169 1.165 -4.663 71 3HD2 LEU 8 3HD2 LEU 8 -4.686 2.856 -4.460 72 H SER 9 H SER 9 -8.426 4.372 -4.490 73 HA SER 9 HA SER 9 -7.114 5.653 -2.328 74 1HB SER 9 1HB SER 9 -6.892 6.485 -4.637 75 2HB SER 9 2HB SER 9 -8.620 6.757 -4.739 76 HG SER 9 HG SER 9 -7.704 8.048 -2.526 77 H GLN 10 H GLN 10 -10.079 4.247 -2.471 78 HA GLN 10 HA GLN 10 -11.454 6.437 -1.156 79 1HB GLN 10 1HB GLN 10 -12.708 3.768 -1.854 80 2HB GLN 10 2HB GLN 10 -13.492 5.322 -1.657 81 1HG GLN 10 1HG GLN 10 -12.235 6.151 -3.705 82 2HG GLN 10 2HG GLN 10 -11.612 4.529 -3.929 83 1HE2 GLN 10 1HE2 GLN 10 -13.673 2.913 -3.345 84 2HE2 GLN 10 2HE2 GLN 10 -15.003 3.140 -4.431 85 H TYR 11 H TYR 11 -9.328 4.100 -0.289 86 HA TYR 11 HA TYR 11 -10.666 3.694 2.296 87 1HB TYR 11 1HB TYR 11 -8.816 1.784 0.740 88 2HB TYR 11 2HB TYR 11 -9.654 1.400 2.230 89 HD1 TYR 11 1HD TYR 11 -9.739 1.058 -1.266 90 HD2 TYR 11 2HD TYR 11 -12.315 1.654 2.098 91 HE1 TYR 11 1HE TYR 11 -11.703 0.145 -2.598 92 HE2 TYR 11 2HE TYR 11 -14.270 0.739 0.754 93 HH TYR 11 HH TYR 11 -13.786 -0.419 -2.571 94 H ASN 12 H ASN 12 -9.192 5.872 2.271 95 HA ASN 12 HA ASN 12 -6.531 5.009 3.090 96 1HB ASN 12 1HB ASN 12 -5.727 7.214 2.492 97 2HB ASN 12 2HB ASN 12 -6.749 6.701 1.165 98 1HD2 ASN 12 1HD2 ASN 12 -6.670 8.569 4.161 99 2HD2 ASN 12 2HD2 ASN 12 -7.901 9.718 3.752 100 H GLY 13 H GLY 13 -9.421 5.389 4.437 101 1HA GLY 13 1HA GLY 13 -9.966 5.703 6.630 102 2HA GLY 13 2HA GLY 13 -8.390 6.405 6.938 103 H THR 14 H THR 14 -10.929 7.305 4.505 104 HA THR 14 HA THR 14 -10.936 9.990 5.720 105 HB THR 14 HB THR 14 -10.188 9.241 3.158 106 HG1 THR 14 1HG THR 14 -9.949 11.434 3.328 107 1HG2 THR 14 1HG2 THR 14 -12.646 8.666 2.666 108 2HG2 THR 14 2HG2 THR 14 -13.025 10.374 2.994 109 3HG2 THR 14 3HG2 THR 14 -11.957 9.944 1.636 110 H ASP 15 H ASP 15 -12.767 7.120 5.066 111 HA ASP 15 HA ASP 15 -15.207 8.643 5.518 112 1HB ASP 15 1HB ASP 15 -14.515 6.369 3.823 113 2HB ASP 15 2HB ASP 15 -15.813 5.919 4.912 114 H GLU 16 H GLU 16 -16.831 6.477 6.453 115 HA GLU 16 HA GLU 16 -15.560 6.014 9.020 116 1HB GLU 16 1HB GLU 16 -18.395 6.310 8.074 117 2HB GLU 16 2HB GLU 16 -18.123 5.265 9.455 118 1HG GLU 16 1HG GLU 16 -17.721 7.029 10.837 119 2HG GLU 16 2HG GLU 16 -16.587 7.751 9.713 120 H SER 17 H SER 17 -18.017 4.217 7.024 121 HA SER 17 HA SER 17 -17.224 1.759 8.055 122 1HB SER 17 1HB SER 17 -18.974 2.698 5.797 123 2HB SER 17 2HB SER 17 -18.498 1.012 5.798 124 HG SER 17 HG SER 17 -20.184 2.421 7.593 125 H LYS 18 H LYS 18 -16.547 3.446 4.917 126 HA LYS 18 HA LYS 18 -15.221 1.582 3.533 127 1HB LYS 18 1HB LYS 18 -15.213 4.485 3.691 128 2HB LYS 18 2HB LYS 18 -13.634 3.878 3.238 129 1HG LYS 18 1HG LYS 18 -15.121 4.259 1.255 130 2HG LYS 18 2HG LYS 18 -14.579 2.598 1.378 131 1HD LYS 18 1HD LYS 18 -16.857 2.348 2.807 132 2HD LYS 18 2HD LYS 18 -17.325 3.742 1.855 133 1HE LYS 18 1HE LYS 18 -16.027 1.545 0.302 134 2HE LYS 18 2HE LYS 18 -17.576 1.129 1.009 135 1HZ LYS 18 1HZ LYS 18 -18.374 3.277 0.016 136 2HZ LYS 18 2HZ LYS 18 -16.991 3.312 -0.851 137 3HZ LYS 18 3HZ LYS 18 -18.043 2.077 -1.041 138 HA PRO 19 HA PRO 19 -11.979 0.391 6.188 139 1HB PRO 19 1HB PRO 19 -10.972 -1.619 4.635 140 2HB PRO 19 2HB PRO 19 -12.317 -1.841 5.736 141 1HG PRO 19 1HG PRO 19 -12.351 -1.628 2.787 142 2HG PRO 19 2HG PRO 19 -13.586 -2.262 3.857 143 1HD PRO 19 1HD PRO 19 -13.591 0.293 2.554 144 2HD PRO 19 2HD PRO 19 -14.767 -0.294 3.712 145 H ILE 20 H ILE 20 -9.487 -0.470 5.592 146 HA ILE 20 HA ILE 20 -8.491 1.766 3.967 147 HB ILE 20 HB ILE 20 -7.283 0.640 6.496 148 1HG1 ILE 20 1HG1 ILE 20 -7.812 3.358 6.836 149 2HG1 ILE 20 2HG1 ILE 20 -9.242 2.751 6.027 150 1HG2 ILE 20 1HG2 ILE 20 -6.218 2.323 4.339 151 2HG2 ILE 20 2HG2 ILE 20 -6.019 3.015 5.967 152 3HG2 ILE 20 3HG2 ILE 20 -5.376 1.396 5.604 153 1HD1 ILE 20 1HD1 ILE 20 -9.484 0.962 7.721 154 2HD1 ILE 20 2HD1 ILE 20 -7.996 1.515 8.526 155 3HD1 ILE 20 3HD1 ILE 20 -9.436 2.561 8.502 156 H TYR 21 H TYR 21 -7.411 1.114 2.190 157 HA TYR 21 HA TYR 21 -6.131 -1.532 2.315 158 1HB TYR 21 1HB TYR 21 -7.686 -0.075 0.087 159 2HB TYR 21 2HB TYR 21 -6.821 -1.575 -0.178 160 HD1 TYR 21 1HD TYR 21 -7.695 -2.589 2.748 161 HD2 TYR 21 2HD TYR 21 -9.768 -1.144 -0.705 162 HE1 TYR 21 1HE TYR 21 -9.764 -3.900 3.432 163 HE2 TYR 21 2HE TYR 21 -11.829 -2.460 -0.009 164 HH TYR 21 HH TYR 21 -11.896 -4.878 1.798 165 H VAL 22 H VAL 22 -4.017 -1.604 1.666 166 HA VAL 22 HA VAL 22 -2.963 0.880 0.506 167 HB VAL 22 HB VAL 22 -1.432 -1.237 2.016 168 1HG1 VAL 22 1HG1 VAL 22 0.340 0.267 2.075 169 2HG1 VAL 22 2HG1 VAL 22 -0.340 0.549 0.455 170 3HG1 VAL 22 3HG1 VAL 22 -0.707 1.677 1.783 171 1HG2 VAL 22 1HG2 VAL 22 -3.344 -0.174 3.349 172 2HG2 VAL 22 2HG2 VAL 22 -1.710 -0.063 4.045 173 3HG2 VAL 22 3HG2 VAL 22 -2.429 1.348 3.231 174 H ALA 23 H ALA 23 -1.358 0.694 -1.194 175 HA ALA 23 HA ALA 23 -1.610 -1.859 -2.629 176 1HB ALA 23 1HB ALA 23 -1.259 -0.494 -4.674 177 2HB ALA 23 2HB ALA 23 -2.699 0.025 -3.766 178 3HB ALA 23 3HB ALA 23 -1.196 0.974 -3.668 179 H ILE 24 H ILE 24 0.253 -2.924 -3.264 180 HA ILE 24 HA ILE 24 2.777 -1.512 -3.003 181 HB ILE 24 HB ILE 24 2.175 -4.051 -1.482 182 1HG1 ILE 24 1HG1 ILE 24 2.710 -1.249 -0.454 183 2HG1 ILE 24 2HG1 ILE 24 1.147 -2.040 -0.474 184 1HG2 ILE 24 1HG2 ILE 24 4.636 -2.762 -0.754 185 2HG2 ILE 24 2HG2 ILE 24 4.359 -4.412 -1.363 186 3HG2 ILE 24 3HG2 ILE 24 4.619 -3.073 -2.506 187 1HD1 ILE 24 1HD1 ILE 24 2.045 -2.358 1.738 188 2HD1 ILE 24 2HD1 ILE 24 2.193 -3.927 0.911 189 3HD1 ILE 24 3HD1 ILE 24 3.620 -2.879 1.093 190 H LYS 25 H LYS 25 3.656 -1.774 -4.982 191 HA LYS 25 HA LYS 25 4.363 -2.729 -6.841 192 1HB LYS 25 1HB LYS 25 3.989 -5.443 -5.563 193 2HB LYS 25 2HB LYS 25 5.127 -4.979 -6.812 194 1HG LYS 25 1HG LYS 25 6.629 -4.140 -5.305 195 2HG LYS 25 2HG LYS 25 5.387 -3.317 -4.383 196 1HD LYS 25 1HD LYS 25 6.114 -4.935 -2.845 197 2HD LYS 25 2HD LYS 25 4.723 -5.729 -3.555 198 1HE LYS 25 1HE LYS 25 7.529 -6.123 -4.675 199 2HE LYS 25 2HE LYS 25 6.917 -7.110 -3.363 200 1HZ LYS 25 1HZ LYS 25 6.443 -8.189 -5.384 201 2HZ LYS 25 2HZ LYS 25 5.014 -7.632 -4.824 202 3HZ LYS 25 3HZ LYS 25 5.766 -6.861 -6.051 203 H GLY 26 H GLY 26 1.354 -2.457 -5.990 204 1HA GLY 26 1HA GLY 26 -0.387 -2.417 -7.552 205 2HA GLY 26 2HA GLY 26 0.347 -3.746 -8.427 206 H ARG 27 H ARG 27 0.399 -4.096 -4.956 207 HA ARG 27 HA ARG 27 -1.831 -5.947 -5.213 208 1HB ARG 27 1HB ARG 27 0.644 -6.703 -4.580 209 2HB ARG 27 2HB ARG 27 0.228 -6.101 -2.988 210 1HG ARG 27 1HG ARG 27 -1.830 -7.584 -3.020 211 2HG ARG 27 2HG ARG 27 -1.289 -8.244 -4.551 212 1HD ARG 27 1HD ARG 27 0.816 -8.277 -2.459 213 2HD ARG 27 2HD ARG 27 -0.594 -9.225 -2.032 214 HE ARG 27 HE ARG 27 1.286 -9.768 -4.229 215 1HH1 ARG 27 2HH2 ARG 27 -1.895 -10.440 -2.883 216 2HH1 ARG 27 1HH2 ARG 27 -2.077 -11.941 -3.728 217 1HH2 ARG 27 2HH1 ARG 27 1.047 -11.749 -5.344 218 2HH2 ARG 27 1HH1 ARG 27 -0.392 -12.691 -5.137 219 H VAL 28 H VAL 28 -3.621 -5.621 -3.888 220 HA VAL 28 HA VAL 28 -3.528 -3.309 -2.148 221 HB VAL 28 HB VAL 28 -5.686 -5.091 -3.255 222 1HG1 VAL 28 1HG1 VAL 28 -7.254 -3.402 -2.055 223 2HG1 VAL 28 2HG1 VAL 28 -6.566 -4.751 -1.120 224 3HG1 VAL 28 3HG1 VAL 28 -5.864 -3.121 -0.979 225 1HG2 VAL 28 1HG2 VAL 28 -5.525 -3.545 -4.876 226 2HG2 VAL 28 2HG2 VAL 28 -6.345 -2.453 -3.734 227 3HG2 VAL 28 3HG2 VAL 28 -4.569 -2.442 -3.856 228 H PHE 29 H PHE 29 -3.184 -3.423 0.009 229 HA PHE 29 HA PHE 29 -3.596 -6.051 1.255 230 1HB PHE 29 1HB PHE 29 -1.535 -3.807 1.584 231 2HB PHE 29 2HB PHE 29 -1.775 -4.977 2.867 232 HD1 PHE 29 1HD PHE 29 -1.756 -7.523 1.955 233 HD2 PHE 29 2HD PHE 29 0.185 -4.227 0.118 234 HE1 PHE 29 1HE PHE 29 -0.161 -9.094 0.821 235 HE2 PHE 29 2HE PHE 29 1.781 -5.798 -1.016 236 HZ PHE 29 HZ PHE 29 1.588 -8.213 -0.651 237 H ASP 30 H ASP 30 -4.404 -6.070 3.447 238 HA ASP 30 HA ASP 30 -5.997 -3.715 3.963 239 1HB ASP 30 1HB ASP 30 -7.401 -5.562 4.156 240 2HB ASP 30 2HB ASP 30 -6.112 -6.622 4.690 241 H VAL 31 H VAL 31 -5.469 -2.331 5.680 242 HA VAL 31 HA VAL 31 -3.653 -3.385 7.727 243 HB VAL 31 HB VAL 31 -2.372 -1.359 7.680 244 1HG1 VAL 31 1HG1 VAL 31 -1.056 -2.012 5.968 245 2HG1 VAL 31 2HG1 VAL 31 -2.255 -3.312 5.768 246 3HG1 VAL 31 3HG1 VAL 31 -2.358 -1.844 4.767 247 1HG2 VAL 31 1HG2 VAL 31 -2.892 0.167 5.543 248 2HG2 VAL 31 2HG2 VAL 31 -4.542 -0.422 5.857 249 3HG2 VAL 31 3HG2 VAL 31 -3.652 0.451 7.127 250 H THR 32 H THR 32 -6.698 -2.488 7.108 251 HA THR 32 HA THR 32 -7.322 -0.354 8.732 252 HB THR 32 HB THR 32 -9.182 -1.076 7.563 253 HG1 THR 32 1HG THR 32 -9.224 -3.014 9.761 254 1HG2 THR 32 1HG2 THR 32 -7.926 -3.823 7.879 255 2HG2 THR 32 2HG2 THR 32 -9.656 -3.689 7.480 256 3HG2 THR 32 3HG2 THR 32 -8.434 -2.995 6.388 257 H THR 33 H THR 33 -6.154 -3.536 9.629 258 HA THR 33 HA THR 33 -7.202 -3.729 12.194 259 HB THR 33 HB THR 33 -5.429 -5.368 12.489 260 HG1 THR 33 1HG THR 33 -4.274 -3.723 10.355 261 1HG2 THR 33 1HG2 THR 33 -5.226 -5.726 9.616 262 2HG2 THR 33 2HG2 THR 33 -6.167 -6.690 10.780 263 3HG2 THR 33 3HG2 THR 33 -6.896 -5.256 10.017 264 H GLY 34 H GLY 34 -5.298 -1.233 10.931 265 1HA GLY 34 1HA GLY 34 -4.842 -0.207 13.612 266 2HA GLY 34 2HA GLY 34 -3.400 -0.527 12.669 267 H LYS 35 H LYS 35 -6.682 0.718 11.724 268 HA LYS 35 HA LYS 35 -5.800 2.463 9.814 269 1HB LYS 35 1HB LYS 35 -7.970 3.130 9.682 270 2HB LYS 35 2HB LYS 35 -8.202 1.678 10.635 271 1HG LYS 35 1HG LYS 35 -7.906 3.217 12.724 272 2HG LYS 35 2HG LYS 35 -8.118 4.558 11.615 273 1HD LYS 35 1HD LYS 35 -10.351 3.964 11.102 274 2HD LYS 35 2HD LYS 35 -10.125 2.292 11.576 275 1HE LYS 35 1HE LYS 35 -10.168 2.827 13.918 276 2HE LYS 35 2HE LYS 35 -9.907 4.534 13.621 277 1HZ LYS 35 1HZ LYS 35 -12.301 3.335 13.925 278 2HZ LYS 35 2HZ LYS 35 -12.061 4.833 13.321 279 3HZ LYS 35 3HZ LYS 35 -12.223 3.561 12.310 280 H SER 36 H SER 36 -5.535 2.677 13.305 281 HA SER 36 HA SER 36 -5.427 5.399 13.609 282 1HB SER 36 1HB SER 36 -4.350 3.023 15.081 283 2HB SER 36 2HB SER 36 -3.633 4.571 15.486 284 HG SER 36 HG SER 36 -5.718 5.395 16.020 285 H PHE 37 H PHE 37 -3.299 3.259 11.900 286 HA PHE 37 HA PHE 37 -1.151 5.252 11.994 287 1HB PHE 37 1HB PHE 37 -1.224 2.331 11.024 288 2HB PHE 37 2HB PHE 37 0.225 3.305 11.178 289 HD1 PHE 37 1HD PHE 37 0.803 4.163 13.551 290 HD2 PHE 37 2HD PHE 37 -1.923 0.999 12.802 291 HE1 PHE 37 1HE PHE 37 1.100 3.350 15.907 292 HE2 PHE 37 2HE PHE 37 -1.627 0.186 15.158 293 HZ PHE 37 HZ PHE 37 -0.119 1.371 16.683 294 H TYR 38 H TYR 38 -3.177 3.193 9.827 295 HA TYR 38 HA TYR 38 -2.124 4.639 7.522 296 1HB TYR 38 1HB TYR 38 -3.406 2.046 8.235 297 2HB TYR 38 2HB TYR 38 -4.167 2.766 6.830 298 HD1 TYR 38 1HD TYR 38 -2.480 3.615 4.954 299 HD2 TYR 38 2HD TYR 38 -1.543 0.685 7.927 300 HE1 TYR 38 1HE TYR 38 -0.608 2.716 3.488 301 HE2 TYR 38 2HE TYR 38 0.326 -0.204 6.452 302 HH TYR 38 HH TYR 38 1.781 0.706 4.649 303 H GLY 39 H GLY 39 -5.142 4.090 9.401 304 1HA GLY 39 1HA GLY 39 -6.983 5.259 7.703 305 2HA GLY 39 2HA GLY 39 -7.078 5.230 9.452 306 H SER 40 H SER 40 -7.185 7.194 10.442 307 HA SER 40 HA SER 40 -7.005 9.535 9.026 308 1HB SER 40 1HB SER 40 -6.400 9.705 11.939 309 2HB SER 40 2HB SER 40 -7.625 10.537 11.002 310 HG SER 40 HG SER 40 -9.058 8.950 11.365 311 H GLY 41 H GLY 41 -5.369 11.128 10.992 312 1HA GLY 41 1HA GLY 41 -2.923 11.136 9.606 313 2HA GLY 41 2HA GLY 41 -3.290 11.975 11.100 314 H GLY 42 H GLY 42 -2.698 8.588 9.906 315 1HA GLY 42 1HA GLY 42 -1.573 7.860 12.493 316 2HA GLY 42 2HA GLY 42 -1.896 6.807 11.130 317 H ASP 43 H ASP 43 0.087 5.845 10.748 318 HA ASP 43 HA ASP 43 2.372 7.623 10.602 319 1HB ASP 43 1HB ASP 43 1.966 4.979 11.584 320 2HB ASP 43 2HB ASP 43 2.950 4.793 10.146 321 H TYR 44 H TYR 44 0.175 5.544 8.752 322 HA TYR 44 HA TYR 44 1.849 5.889 6.360 323 1HB TYR 44 1HB TYR 44 -0.582 4.072 6.647 324 2HB TYR 44 2HB TYR 44 0.842 3.811 5.661 325 HD1 TYR 44 1HD TYR 44 3.120 3.710 7.217 326 HD2 TYR 44 2HD TYR 44 -0.836 2.613 8.423 327 HE1 TYR 44 1HE TYR 44 4.081 2.192 9.017 328 HE2 TYR 44 2HE TYR 44 0.138 1.100 10.218 329 HH TYR 44 HH TYR 44 2.554 1.204 11.543 330 H SER 45 H SER 45 0.419 8.149 7.212 331 HA SER 45 HA SER 45 -2.163 8.241 6.194 332 1HB SER 45 1HB SER 45 -1.960 10.126 7.432 333 2HB SER 45 2HB SER 45 -0.211 10.082 7.342 334 HG SER 45 HG SER 45 -1.321 11.993 6.336 335 H MET 46 H MET 46 1.066 8.650 4.742 336 HA MET 46 HA MET 46 -0.002 9.764 2.342 337 1HB MET 46 1HB MET 46 2.448 9.410 1.588 338 2HB MET 46 2HB MET 46 2.235 10.448 2.983 339 1HG MET 46 1HG MET 46 2.526 7.547 3.626 340 2HG MET 46 2HG MET 46 3.944 8.282 2.905 341 1HE MET 46 1HE MET 46 4.599 11.338 5.101 342 2HE MET 46 2HE MET 46 4.191 10.871 3.432 343 3HE MET 46 3HE MET 46 2.935 11.541 4.501 344 H PHE 47 H PHE 47 0.779 6.571 3.643 345 HA PHE 47 HA PHE 47 0.873 5.317 1.068 346 1HB PHE 47 1HB PHE 47 0.472 4.182 3.900 347 2HB PHE 47 2HB PHE 47 1.046 3.278 2.512 348 HD1 PHE 47 1HD PHE 47 2.561 3.211 4.972 349 HD2 PHE 47 2HD PHE 47 2.711 6.048 1.821 350 HE1 PHE 47 1HE PHE 47 4.930 3.769 5.588 351 HE2 PHE 47 2HE PHE 47 5.079 6.607 2.436 352 HZ PHE 47 HZ PHE 47 6.160 5.461 4.312 353 H ALA 48 H ALA 48 -1.537 5.949 3.628 354 HA ALA 48 HA ALA 48 -3.443 4.085 3.014 355 1HB ALA 48 1HB ALA 48 -4.090 6.974 3.664 356 2HB ALA 48 2HB ALA 48 -4.937 5.498 4.186 357 3HB ALA 48 3HB ALA 48 -3.337 5.892 4.861 358 H GLY 49 H GLY 49 -4.906 3.747 1.375 359 1HA GLY 49 1HA GLY 49 -5.755 3.905 -0.705 360 2HA GLY 49 2HA GLY 49 -6.048 5.583 -0.294 361 H LYS 50 H LYS 50 -2.820 4.005 -0.565 362 HA LYS 50 HA LYS 50 -2.365 5.038 -3.186 363 1HB LYS 50 1HB LYS 50 -1.280 6.503 -0.788 364 2HB LYS 50 2HB LYS 50 -0.378 6.468 -2.290 365 1HG LYS 50 1HG LYS 50 -2.853 7.095 -3.270 366 2HG LYS 50 2HG LYS 50 -2.992 7.799 -1.671 367 1HD LYS 50 1HD LYS 50 -1.128 9.263 -2.020 368 2HD LYS 50 2HD LYS 50 -0.543 8.338 -3.388 369 1HE LYS 50 1HE LYS 50 -1.586 10.025 -4.574 370 2HE LYS 50 2HE LYS 50 -2.978 8.977 -4.381 371 1HZ LYS 50 1HZ LYS 50 -2.320 11.405 -2.920 372 2HZ LYS 50 2HZ LYS 50 -3.737 10.962 -3.601 373 3HZ LYS 50 3HZ LYS 50 -3.256 10.278 -2.198 374 H ASP 51 H ASP 51 -0.295 4.301 -4.048 375 HA ASP 51 HA ASP 51 0.487 1.892 -2.699 376 1HB ASP 51 1HB ASP 51 0.054 1.901 -5.151 377 2HB ASP 51 2HB ASP 51 1.314 3.096 -5.382 378 H ALA 52 H ALA 52 1.880 2.512 -0.963 379 HA ALA 52 HA ALA 52 3.981 4.437 -1.509 380 1HB ALA 52 1HB ALA 52 3.273 2.916 1.033 381 2HB ALA 52 2HB ALA 52 4.359 4.320 0.899 382 3HB ALA 52 3HB ALA 52 2.618 4.509 0.585 383 H SER 53 H SER 53 4.680 2.682 -3.240 384 HA SER 53 HA SER 53 5.952 0.402 -2.170 385 1HB SER 53 1HB SER 53 6.995 0.437 -4.601 386 2HB SER 53 2HB SER 53 5.298 0.064 -4.377 387 HG SER 53 HG SER 53 5.062 1.644 -5.829 388 H ARG 54 H ARG 54 7.153 3.469 -3.725 389 HA ARG 54 HA ARG 54 9.814 2.936 -3.248 390 1HB ARG 54 1HB ARG 54 8.496 5.693 -3.400 391 2HB ARG 54 2HB ARG 54 10.173 5.329 -3.751 392 1HG ARG 54 1HG ARG 54 9.301 3.717 -5.577 393 2HG ARG 54 2HG ARG 54 7.721 4.432 -5.324 394 1HD ARG 54 1HD ARG 54 8.533 5.789 -7.050 395 2HD ARG 54 2HD ARG 54 9.007 6.735 -5.653 396 HE ARG 54 HE ARG 54 11.075 4.826 -6.346 397 1HH1 ARG 54 2HH2 ARG 54 9.702 7.924 -7.293 398 2HH1 ARG 54 1HH2 ARG 54 11.167 8.496 -8.019 399 1HH2 ARG 54 2HH1 ARG 54 13.008 5.580 -7.302 400 2HH2 ARG 54 1HH1 ARG 54 13.061 7.153 -8.024 401 H ALA 55 H ALA 55 7.361 4.839 -1.376 402 HA ALA 55 HA ALA 55 9.074 5.775 0.600 403 1HB ALA 55 1HB ALA 55 6.499 5.266 1.718 404 2HB ALA 55 2HB ALA 55 7.140 6.803 1.089 405 3HB ALA 55 3HB ALA 55 6.257 5.698 0.008 406 H LEU 56 H LEU 56 7.402 2.638 0.155 407 HA LEU 56 HA LEU 56 8.005 1.713 2.773 408 1HB LEU 56 1HB LEU 56 6.903 0.543 0.254 409 2HB LEU 56 2HB LEU 56 7.477 -0.538 1.509 410 HG LEU 56 HG LEU 56 5.385 1.612 1.939 411 1HD1 LEU 56 1HD1 LEU 56 4.999 -1.364 1.506 412 2HD1 LEU 56 2HD1 LEU 56 3.730 -0.186 1.919 413 3HD1 LEU 56 3HD1 LEU 56 4.577 -0.072 0.357 414 1HD2 LEU 56 1HD2 LEU 56 6.647 -0.452 3.703 415 2HD2 LEU 56 2HD2 LEU 56 6.205 1.237 4.048 416 3HD2 LEU 56 3HD2 LEU 56 4.941 -0.013 3.959 417 H GLY 57 H GLY 57 9.491 1.357 -0.497 418 1HA GLY 57 1HA GLY 57 11.474 -0.482 0.186 419 2HA GLY 57 2HA GLY 57 11.537 0.679 -1.126 420 H LYS 58 H LYS 58 12.227 2.961 -0.596 421 HA LYS 58 HA LYS 58 14.611 2.947 0.822 422 1HB LYS 58 1HB LYS 58 12.950 5.396 0.187 423 2HB LYS 58 2HB LYS 58 14.689 5.295 0.374 424 1HG LYS 58 1HG LYS 58 14.867 4.897 -1.849 425 2HG LYS 58 2HG LYS 58 14.052 3.364 -1.610 426 1HD LYS 58 1HD LYS 58 12.056 4.140 -2.444 427 2HD LYS 58 2HD LYS 58 12.211 5.696 -1.653 428 1HE LYS 58 1HE LYS 58 14.217 5.313 -3.792 429 2HE LYS 58 2HE LYS 58 12.573 5.201 -4.388 430 1HZ LYS 58 1HZ LYS 58 13.592 7.409 -2.739 431 2HZ LYS 58 2HZ LYS 58 13.411 7.462 -4.361 432 3HZ LYS 58 3HZ LYS 58 12.101 7.313 -3.398 433 H MET 59 H MET 59 11.324 3.097 1.921 434 HA MET 59 HA MET 59 10.509 3.110 3.947 435 1HB MET 59 1HB MET 59 13.275 3.671 5.122 436 2HB MET 59 2HB MET 59 11.939 2.841 5.893 437 1HG MET 59 1HG MET 59 12.194 1.115 3.894 438 2HG MET 59 2HG MET 59 13.787 1.822 3.713 439 1HE MET 59 1HE MET 59 11.919 -0.279 7.222 440 2HE MET 59 2HE MET 59 11.252 0.156 5.630 441 3HE MET 59 3HE MET 59 12.244 -1.311 5.808 442 H SER 60 H SER 60 10.642 5.480 2.340 443 HA SER 60 HA SER 60 11.100 7.525 4.360 444 1HB SER 60 1HB SER 60 12.046 7.437 1.798 445 2HB SER 60 2HB SER 60 10.546 8.300 1.524 446 HG SER 60 HG SER 60 11.992 9.911 2.003 447 H LYS 61 H LYS 61 9.481 9.589 3.416 448 HA LYS 61 HA LYS 61 6.806 8.404 3.277 449 1HB LYS 61 1HB LYS 61 5.972 9.716 5.025 450 2HB LYS 61 2HB LYS 61 7.490 9.095 5.639 451 1HG LYS 61 1HG LYS 61 8.610 11.252 4.916 452 2HG LYS 61 2HG LYS 61 7.040 11.868 4.439 453 1HD LYS 61 1HD LYS 61 7.003 12.686 6.586 454 2HD LYS 61 2HD LYS 61 6.433 11.075 6.975 455 1HE LYS 61 1HE LYS 61 8.289 10.666 8.215 456 2HE LYS 61 2HE LYS 61 9.326 11.005 6.844 457 1HZ LYS 61 1HZ LYS 61 9.495 12.476 8.885 458 2HZ LYS 61 2HZ LYS 61 9.469 13.212 7.427 459 3HZ LYS 61 3HZ LYS 61 8.127 13.195 8.358 460 H ASN 62 H ASN 62 8.750 9.581 1.286 461 HA ASN 62 HA ASN 62 8.015 12.172 0.697 462 1HB ASN 62 1HB ASN 62 9.307 9.883 -0.744 463 2HB ASN 62 2HB ASN 62 8.599 11.102 -1.785 464 1HD2 ASN 62 1HD2 ASN 62 9.103 13.398 -1.208 465 2HD2 ASN 62 2HD2 ASN 62 10.723 13.782 -0.731 466 H GLU 63 H GLU 63 6.327 13.029 -0.648 467 HA GLU 63 HA GLU 63 4.071 11.334 -0.924 468 1HB GLU 63 1HB GLU 63 4.674 14.247 -1.430 469 2HB GLU 63 2HB GLU 63 3.229 13.558 -2.144 470 1HG GLU 63 1HG GLU 63 2.162 13.355 -0.120 471 2HG GLU 63 2HG GLU 63 3.611 12.816 0.706 472 H GLU 64 H GLU 64 6.787 12.265 -2.911 473 HA GLU 64 HA GLU 64 5.366 11.621 -5.336 474 1HB GLU 64 1HB GLU 64 8.236 12.031 -5.667 475 2HB GLU 64 2HB GLU 64 6.902 12.942 -6.346 476 1HG GLU 64 1HG GLU 64 7.797 14.602 -5.006 477 2HG GLU 64 2HG GLU 64 6.716 13.880 -3.831 478 H ASP 65 H ASP 65 7.381 10.134 -2.914 479 HA ASP 65 HA ASP 65 8.695 8.265 -4.453 480 1HB ASP 65 1HB ASP 65 8.028 8.697 -1.620 481 2HB ASP 65 2HB ASP 65 8.042 6.989 -2.014 482 H VAL 66 H VAL 66 5.491 8.212 -2.740 483 HA VAL 66 HA VAL 66 4.732 5.641 -3.122 484 HB VAL 66 HB VAL 66 3.130 8.196 -3.295 485 1HG1 VAL 66 1HG1 VAL 66 2.163 5.890 -4.261 486 2HG1 VAL 66 2HG1 VAL 66 1.819 5.627 -2.534 487 3HG1 VAL 66 3HG1 VAL 66 1.156 7.054 -3.366 488 1HG2 VAL 66 1HG2 VAL 66 3.616 8.277 -1.110 489 2HG2 VAL 66 2HG2 VAL 66 2.540 6.872 -0.922 490 3HG2 VAL 66 3HG2 VAL 66 4.293 6.630 -1.118 491 H SER 67 H SER 67 4.818 4.370 -4.897 492 HA SER 67 HA SER 67 3.954 5.612 -7.388 493 1HB SER 67 1HB SER 67 5.949 5.167 -8.341 494 2HB SER 67 2HB SER 67 6.548 4.603 -6.794 495 HG SER 67 HG SER 67 6.629 3.045 -8.663 496 HA PRO 68 HA PRO 68 1.272 2.126 -7.006 497 1HB PRO 68 1HB PRO 68 -0.554 2.905 -8.884 498 2HB PRO 68 2HB PRO 68 -0.628 3.412 -7.208 499 1HG PRO 68 1HG PRO 68 0.218 4.963 -9.578 500 2HG PRO 68 2HG PRO 68 -0.265 5.548 -7.998 501 1HD PRO 68 1HD PRO 68 2.411 5.362 -9.015 502 2HD PRO 68 2HD PRO 68 1.935 5.837 -7.397 503 H SER 69 H SER 69 3.571 2.708 -9.110 504 HA SER 69 HA SER 69 2.927 0.254 -10.501 505 1HB SER 69 1HB SER 69 2.965 1.130 -12.616 506 2HB SER 69 2HB SER 69 2.480 2.601 -11.796 507 HG SER 69 HG SER 69 4.553 3.415 -11.914 508 H LEU 70 H LEU 70 4.650 -1.115 -10.228 509 HA LEU 70 HA LEU 70 6.895 -0.635 -8.889 510 1HB LEU 70 1HB LEU 70 6.430 -2.451 -11.246 511 2HB LEU 70 2HB LEU 70 7.934 -2.459 -10.346 512 HG LEU 70 HG LEU 70 5.182 -3.066 -9.230 513 1HD1 LEU 70 1HD1 LEU 70 7.361 -5.081 -9.199 514 2HD1 LEU 70 2HD1 LEU 70 5.608 -5.277 -9.439 515 3HD1 LEU 70 3HD1 LEU 70 6.632 -4.712 -10.780 516 1HD2 LEU 70 1HD2 LEU 70 6.728 -3.888 -7.263 517 2HD2 LEU 70 2HD2 LEU 70 7.836 -2.654 -7.911 518 3HD2 LEU 70 3HD2 LEU 70 6.203 -2.190 -7.375 519 H GLU 71 H GLU 71 6.470 -0.082 -12.441 520 HA GLU 71 HA GLU 71 8.882 0.550 -13.240 521 1HB GLU 71 1HB GLU 71 6.182 1.628 -13.839 522 2HB GLU 71 2HB GLU 71 7.492 2.688 -14.321 523 1HG GLU 71 1HG GLU 71 8.446 0.237 -15.185 524 2HG GLU 71 2HG GLU 71 6.720 0.020 -15.398 525 H GLY 72 H GLY 72 10.393 1.368 -11.763 526 1HA GLY 72 1HA GLY 72 11.267 3.734 -11.496 527 2HA GLY 72 2HA GLY 72 9.790 4.013 -10.596 528 H LEU 73 H LEU 73 9.679 1.280 -9.411 529 HA LEU 73 HA LEU 73 11.184 1.804 -7.107 530 1HB LEU 73 1HB LEU 73 9.476 -0.407 -8.132 531 2HB LEU 73 2HB LEU 73 10.551 -0.767 -6.795 532 HG LEU 73 HG LEU 73 8.161 -0.080 -6.237 533 1HD1 LEU 73 1HD1 LEU 73 9.583 -0.198 -4.414 534 2HD1 LEU 73 2HD1 LEU 73 10.623 1.122 -5.001 535 3HD1 LEU 73 3HD1 LEU 73 9.009 1.485 -4.344 536 1HD2 LEU 73 1HD2 LEU 73 7.868 2.436 -6.042 537 2HD2 LEU 73 2HD2 LEU 73 9.239 2.584 -7.167 538 3HD2 LEU 73 3HD2 LEU 73 7.756 1.743 -7.678 539 H THR 74 H THR 74 13.352 1.722 -6.910 540 HA THR 74 HA THR 74 14.874 0.099 -8.758 541 HB THR 74 HB THR 74 16.762 1.335 -7.797 542 HG1 THR 74 1HG THR 74 16.095 1.195 -5.566 543 1HG2 THR 74 1HG2 THR 74 14.222 3.008 -8.077 544 2HG2 THR 74 2HG2 THR 74 15.801 3.748 -7.721 545 3HG2 THR 74 3HG2 THR 74 15.561 2.853 -9.241 546 H GLU 75 H GLU 75 16.996 -0.868 -7.453 547 HA GLU 75 HA GLU 75 15.893 -3.139 -6.242 548 1HB GLU 75 1HB GLU 75 18.498 -2.225 -7.182 549 2HB GLU 75 2HB GLU 75 18.670 -3.044 -5.642 550 1HG GLU 75 1HG GLU 75 16.874 -4.698 -6.992 551 2HG GLU 75 2HG GLU 75 17.916 -4.148 -8.289 552 H LYS 76 H LYS 76 17.528 -0.179 -5.017 553 HA LYS 76 HA LYS 76 17.944 -0.968 -2.411 554 1HB LYS 76 1HB LYS 76 18.608 1.158 -2.129 555 2HB LYS 76 2HB LYS 76 18.398 1.282 -3.864 556 1HG LYS 76 1HG LYS 76 16.123 2.172 -3.585 557 2HG LYS 76 2HG LYS 76 16.180 1.893 -1.856 558 1HD LYS 76 1HD LYS 76 16.715 4.173 -1.970 559 2HD LYS 76 2HD LYS 76 18.310 3.450 -1.913 560 1HE LYS 76 1HE LYS 76 18.483 3.577 -4.391 561 2HE LYS 76 2HE LYS 76 16.861 4.230 -4.489 562 1HZ LYS 76 1HZ LYS 76 18.423 5.711 -2.678 563 2HZ LYS 76 2HZ LYS 76 19.163 5.639 -4.132 564 3HZ LYS 76 3HZ LYS 76 17.641 6.221 -4.018 565 H GLU 77 H GLU 77 15.011 0.526 -3.923 566 HA GLU 77 HA GLU 77 13.601 0.332 -1.463 567 1HB GLU 77 1HB GLU 77 11.670 0.801 -3.370 568 2HB GLU 77 2HB GLU 77 12.606 2.050 -2.573 569 1HG GLU 77 1HG GLU 77 14.306 1.950 -4.404 570 2HG GLU 77 2HG GLU 77 13.380 0.694 -5.200 571 H ILE 78 H ILE 78 13.749 -1.463 -4.581 572 HA ILE 78 HA ILE 78 11.574 -3.114 -4.224 573 HB ILE 78 HB ILE 78 14.162 -3.298 -5.699 574 1HG1 ILE 78 1HG1 ILE 78 11.633 -2.255 -6.238 575 2HG1 ILE 78 2HG1 ILE 78 12.943 -2.495 -7.376 576 1HG2 ILE 78 1HG2 ILE 78 12.139 -5.553 -5.608 577 2HG2 ILE 78 2HG2 ILE 78 13.606 -5.466 -6.612 578 3HG2 ILE 78 3HG2 ILE 78 13.745 -5.582 -4.841 579 1HD1 ILE 78 1HD1 ILE 78 10.775 -4.536 -6.698 580 2HD1 ILE 78 2HD1 ILE 78 10.895 -3.589 -8.200 581 3HD1 ILE 78 3HD1 ILE 78 12.126 -4.819 -7.822 582 H ASN 79 H ASN 79 14.975 -3.489 -3.052 583 HA ASN 79 HA ASN 79 14.803 -5.973 -2.032 584 1HB ASN 79 1HB ASN 79 16.415 -3.559 -1.543 585 2HB ASN 79 2HB ASN 79 16.219 -4.481 -0.066 586 1HD2 ASN 79 1HD2 ASN 79 18.299 -3.996 -2.389 587 2HD2 ASN 79 2HD2 ASN 79 19.009 -5.559 -2.623 588 H THR 80 H THR 80 13.956 -2.815 -0.428 589 HA THR 80 HA THR 80 12.881 -4.175 1.881 590 HB THR 80 HB THR 80 13.102 -1.257 0.985 591 HG1 THR 80 1HG THR 80 15.093 -2.166 1.661 592 1HG2 THR 80 1HG2 THR 80 11.202 -1.406 2.555 593 2HG2 THR 80 2HG2 THR 80 12.139 -2.475 3.626 594 3HG2 THR 80 3HG2 THR 80 12.619 -0.773 3.426 595 H LEU 81 H LEU 81 11.608 -2.278 -0.919 596 HA LEU 81 HA LEU 81 8.947 -2.370 -0.136 597 1HB LEU 81 1HB LEU 81 9.554 -0.849 -1.795 598 2HB LEU 81 2HB LEU 81 10.363 -2.065 -2.764 599 HG LEU 81 HG LEU 81 8.095 -1.125 -3.560 600 1HD1 LEU 81 1HD1 LEU 81 7.765 -4.022 -3.689 601 2HD1 LEU 81 2HD1 LEU 81 8.090 -2.842 -4.981 602 3HD1 LEU 81 3HD1 LEU 81 9.435 -3.501 -4.019 603 1HD2 LEU 81 1HD2 LEU 81 7.151 -1.717 -1.152 604 2HD2 LEU 81 2HD2 LEU 81 6.129 -1.781 -2.609 605 3HD2 LEU 81 3HD2 LEU 81 6.818 -3.279 -1.937 606 H ASN 82 H ASN 82 10.688 -4.518 -2.502 607 HA ASN 82 HA ASN 82 8.677 -6.222 -3.003 608 1HB ASN 82 1HB ASN 82 11.152 -6.188 -3.863 609 2HB ASN 82 2HB ASN 82 11.520 -7.211 -2.489 610 1HD2 ASN 82 1HD2 ASN 82 10.398 -7.057 -5.659 611 2HD2 ASN 82 2HD2 ASN 82 9.848 -8.687 -5.865 612 H ASP 83 H ASP 83 10.939 -6.129 -0.191 613 HA ASP 83 HA ASP 83 10.028 -8.561 0.891 614 1HB ASP 83 1HB ASP 83 11.918 -6.406 1.582 615 2HB ASP 83 2HB ASP 83 11.090 -7.018 2.999 616 H TRP 84 H TRP 84 9.144 -5.111 1.090 617 HA TRP 84 HA TRP 84 7.709 -5.128 3.471 618 1HB TRP 84 1HB TRP 84 7.977 -3.408 1.111 619 2HB TRP 84 2HB TRP 84 6.402 -3.312 1.873 620 HD1 TRP 84 HD TRP 84 9.316 -1.348 2.003 621 HE1 TRP 84 1HE TRP 84 9.857 -0.192 4.312 622 HE3 TRP 84 3HE TRP 84 6.302 -4.337 4.803 623 HZ2 TRP 84 2HZ TRP 84 8.984 -0.647 6.991 624 HZ3 TRP 84 3HZ TRP 84 6.204 -3.914 7.257 625 HH2 TRP 84 HH TRP 84 7.481 -2.144 8.356 626 H GLU 85 H GLU 85 6.853 -6.015 0.083 627 HA GLU 85 HA GLU 85 4.142 -6.307 0.508 628 1HB GLU 85 1HB GLU 85 4.541 -6.393 -1.740 629 2HB GLU 85 2HB GLU 85 6.127 -7.112 -1.538 630 1HG GLU 85 1HG GLU 85 3.622 -8.745 -1.001 631 2HG GLU 85 2HG GLU 85 4.210 -8.540 -2.639 632 H THR 86 H THR 86 6.873 -8.658 0.813 633 HA THR 86 HA THR 86 5.234 -10.870 1.439 634 HB THR 86 HB THR 86 8.153 -10.116 1.527 635 HG1 THR 86 1HG THR 86 6.395 -12.270 0.586 636 1HG2 THR 86 1HG2 THR 86 8.454 -11.425 3.418 637 2HG2 THR 86 2HG2 THR 86 6.849 -12.179 3.265 638 3HG2 THR 86 3HG2 THR 86 8.205 -12.762 2.271 639 H LYS 87 H LYS 87 6.641 -8.230 3.381 640 HA LYS 87 HA LYS 87 6.049 -9.516 5.854 641 1HB LYS 87 1HB LYS 87 6.724 -6.626 5.226 642 2HB LYS 87 2HB LYS 87 6.672 -7.336 6.827 643 1HG LYS 87 1HG LYS 87 8.569 -8.706 6.431 644 2HG LYS 87 2HG LYS 87 8.394 -8.620 4.689 645 1HD LYS 87 1HD LYS 87 9.313 -6.445 4.563 646 2HD LYS 87 2HD LYS 87 8.926 -6.070 6.231 647 1HE LYS 87 1HE LYS 87 10.709 -8.376 6.139 648 2HE LYS 87 2HE LYS 87 11.398 -7.066 5.200 649 1HZ LYS 87 1HZ LYS 87 11.359 -5.672 7.034 650 2HZ LYS 87 2HZ LYS 87 10.314 -6.601 7.878 651 3HZ LYS 87 3HZ LYS 87 11.854 -7.097 7.657 652 H PHE 88 H PHE 88 4.466 -7.076 3.732 653 HA PHE 88 HA PHE 88 2.355 -6.602 5.567 654 1HB PHE 88 1HB PHE 88 3.247 -5.912 2.794 655 2HB PHE 88 2HB PHE 88 1.503 -5.952 2.957 656 HD1 PHE 88 1HD PHE 88 0.808 -3.742 2.943 657 HD2 PHE 88 2HD PHE 88 4.107 -4.830 5.380 658 HE1 PHE 88 1HE PHE 88 0.846 -1.432 3.923 659 HE2 PHE 88 2HE PHE 88 4.145 -2.520 6.360 660 HZ PHE 88 HZ PHE 88 2.514 -0.848 5.619 661 H GLU 89 H GLU 89 2.810 -8.685 2.653 662 HA GLU 89 HA GLU 89 0.124 -9.527 2.651 663 1HB GLU 89 1HB GLU 89 0.724 -10.849 0.804 664 2HB GLU 89 2HB GLU 89 1.884 -9.539 0.722 665 1HG GLU 89 1HG GLU 89 3.418 -11.242 0.595 666 2HG GLU 89 2HG GLU 89 3.268 -11.247 2.342 667 H ALA 90 H ALA 90 2.936 -10.350 4.525 668 HA ALA 90 HA ALA 90 1.961 -13.002 5.166 669 1HB ALA 90 1HB ALA 90 4.378 -11.364 6.017 670 2HB ALA 90 2HB ALA 90 4.028 -13.000 6.624 671 3HB ALA 90 3HB ALA 90 4.344 -12.742 4.891 672 H LYS 91 H LYS 91 1.364 -9.771 6.093 673 HA LYS 91 HA LYS 91 0.367 -10.714 8.691 674 1HB LYS 91 1HB LYS 91 2.042 -8.366 8.002 675 2HB LYS 91 2HB LYS 91 0.710 -8.047 9.095 676 1HG LYS 91 1HG LYS 91 2.013 -10.537 9.862 677 2HG LYS 91 2HG LYS 91 3.218 -9.273 9.712 678 1HD LYS 91 1HD LYS 91 0.768 -8.347 11.087 679 2HD LYS 91 2HD LYS 91 1.538 -9.686 11.915 680 1HE LYS 91 1HE LYS 91 3.413 -8.454 12.469 681 2HE LYS 91 2HE LYS 91 3.411 -7.566 10.958 682 1HZ LYS 91 1HZ LYS 91 2.681 -5.952 12.300 683 2HZ LYS 91 2HZ LYS 91 1.215 -6.631 12.058 684 3HZ LYS 91 3HZ LYS 91 2.054 -6.962 13.420 685 H TYR 92 H TYR 92 0.010 -7.829 6.505 686 HA TYR 92 HA TYR 92 -2.724 -7.548 7.128 687 1HB TYR 92 1HB TYR 92 -0.827 -6.633 4.885 688 2HB TYR 92 2HB TYR 92 -2.480 -6.056 4.972 689 HD1 TYR 92 1HD TYR 92 -2.800 -5.650 7.911 690 HD2 TYR 92 2HD TYR 92 0.476 -4.732 5.316 691 HE1 TYR 92 1HE TYR 92 -2.064 -3.795 9.485 692 HE2 TYR 92 2HE TYR 92 1.200 -2.879 6.899 693 HH TYR 92 HH TYR 92 -0.271 -2.508 10.032 694 HA PRO 93 HA PRO 93 -4.413 -10.426 4.353 695 1HB PRO 93 1HB PRO 93 -7.035 -9.670 4.484 696 2HB PRO 93 2HB PRO 93 -6.276 -10.705 5.677 697 1HG PRO 93 1HG PRO 93 -7.011 -7.850 5.900 698 2HG PRO 93 2HG PRO 93 -6.656 -8.996 7.178 699 1HD PRO 93 1HD PRO 93 -4.922 -6.936 6.189 700 2HD PRO 93 2HD PRO 93 -4.526 -8.154 7.385 701 H VAL 94 H VAL 94 -4.648 -10.719 2.196 702 HA VAL 94 HA VAL 94 -4.670 -8.215 0.720 703 HB VAL 94 HB VAL 94 -4.265 -11.047 -0.253 704 1HG1 VAL 94 1HG1 VAL 94 -3.920 -10.198 -2.300 705 2HG1 VAL 94 2HG1 VAL 94 -4.700 -8.719 -1.690 706 3HG1 VAL 94 3HG1 VAL 94 -2.925 -8.862 -1.673 707 1HG2 VAL 94 1HG2 VAL 94 -2.569 -9.469 1.427 708 2HG2 VAL 94 2HG2 VAL 94 -2.256 -11.068 0.710 709 3HG2 VAL 94 3HG2 VAL 94 -1.814 -9.591 -0.180 710 H VAL 95 H VAL 95 -6.665 -7.385 0.326 711 HA VAL 95 HA VAL 95 -8.907 -9.178 0.049 712 HB VAL 95 HB VAL 95 -10.204 -7.123 -0.066 713 1HG1 VAL 95 1HG1 VAL 95 -10.073 -7.491 2.154 714 2HG1 VAL 95 2HG1 VAL 95 -8.309 -7.723 2.115 715 3HG1 VAL 95 3HG1 VAL 95 -8.990 -6.079 2.156 716 1HG2 VAL 95 1HG2 VAL 95 -8.217 -5.914 -1.307 717 2HG2 VAL 95 2HG2 VAL 95 -9.351 -4.990 -0.292 718 3HG2 VAL 95 3HG2 VAL 95 -7.751 -5.441 0.345 719 H GLY 96 H GLY 96 -6.435 -7.950 -1.958 720 1HA GLY 96 1HA GLY 96 -7.202 -9.149 -4.265 721 2HA GLY 96 2HA GLY 96 -8.016 -7.600 -4.342 722 H ARG 97 H ARG 97 -6.430 -7.568 -6.322 723 HA ARG 97 HA ARG 97 -3.929 -6.428 -5.360 724 1HB ARG 97 1HB ARG 97 -2.820 -7.259 -7.366 725 2HB ARG 97 2HB ARG 97 -3.683 -8.603 -6.645 726 1HG ARG 97 1HG ARG 97 -4.768 -8.912 -8.609 727 2HG ARG 97 2HG ARG 97 -5.563 -7.367 -8.380 728 1HD ARG 97 1HD ARG 97 -3.856 -6.185 -9.621 729 2HD ARG 97 2HD ARG 97 -2.764 -7.555 -9.573 730 HE ARG 97 HE ARG 97 -5.221 -8.333 -10.859 731 1HH1 ARG 97 2HH2 ARG 97 -2.318 -6.424 -11.416 732 2HH1 ARG 97 1HH2 ARG 97 -2.369 -6.615 -13.137 733 1HH2 ARG 97 2HH1 ARG 97 -5.289 -8.585 -13.129 734 2HH2 ARG 97 1HH1 ARG 97 -4.070 -7.852 -14.118 735 H VAL 98 H VAL 98 -3.253 -4.435 -6.325 736 HA VAL 98 HA VAL 98 -5.272 -2.756 -7.227 737 HB VAL 98 HB VAL 98 -2.272 -2.661 -7.196 738 1HG1 VAL 98 1HG1 VAL 98 -2.586 -0.176 -7.816 739 2HG1 VAL 98 2HG1 VAL 98 -2.641 -1.379 -9.128 740 3HG1 VAL 98 3HG1 VAL 98 -4.152 -0.684 -8.493 741 1HG2 VAL 98 1HG2 VAL 98 -3.005 -0.588 -5.720 742 2HG2 VAL 98 2HG2 VAL 98 -4.531 -1.498 -5.607 743 3HG2 VAL 98 3HG2 VAL 98 -3.009 -2.240 -5.058 744 H VAL 99 H VAL 99 -6.197 -2.405 -9.191 745 HA VAL 99 HA VAL 99 -4.912 -3.742 -11.470 746 HB VAL 99 HB VAL 99 -7.469 -3.322 -12.254 747 1HG1 VAL 99 1HG1 VAL 99 -6.588 -5.734 -10.638 748 2HG1 VAL 99 2HG1 VAL 99 -7.816 -5.678 -11.926 749 3HG1 VAL 99 3HG1 VAL 99 -6.099 -5.425 -12.321 750 1HG2 VAL 99 1HG2 VAL 99 -9.023 -3.766 -10.496 751 2HG2 VAL 99 2HG2 VAL 99 -7.716 -4.055 -9.323 752 3HG2 VAL 99 3HG2 VAL 99 -7.999 -2.415 -9.953 753 H SER 100 H SER 100 -7.560 -1.327 -11.494 754 HA SER 100 HA SER 100 -7.563 0.805 -12.056 755 1HB SER 100 1HB SER 100 -5.083 0.824 -11.182 756 2HB SER 100 2HB SER 100 -4.644 0.772 -12.878 757 HG SER 100 HG SER 100 -5.902 2.725 -13.212 Start of MODEL 4 1 1H GLY -1 H GLY -1 -9.498 -14.240 -11.365 2 1HA GLY -1 1HA GLY -1 -8.079 -13.385 -9.274 3 2HA GLY -1 2HA GLY -1 -8.860 -12.287 -10.394 4 HA PRO 0 HA PRO 0 -10.711 -11.979 -6.129 5 1HB PRO 0 1HB PRO 0 -9.259 -9.961 -4.994 6 2HB PRO 0 2HB PRO 0 -8.954 -11.657 -4.676 7 1HG PRO 0 1HG PRO 0 -7.411 -9.781 -6.361 8 2HG PRO 0 2HG PRO 0 -6.912 -11.323 -5.694 9 1HD PRO 0 1HD PRO 0 -7.676 -10.793 -8.407 10 2HD PRO 0 2HD PRO 0 -7.289 -12.355 -7.714 11 H MET 1 H MET 1 -11.122 -9.468 -4.975 12 HA MET 1 HA MET 1 -13.040 -8.534 -6.758 13 1HB MET 1 1HB MET 1 -11.761 -7.503 -4.190 14 2HB MET 1 2HB MET 1 -12.910 -6.491 -5.045 15 1HG MET 1 1HG MET 1 -14.497 -8.566 -5.006 16 2HG MET 1 2HG MET 1 -13.395 -9.238 -3.821 17 1HE MET 1 1HE MET 1 -13.821 -8.876 -1.314 18 2HE MET 1 2HE MET 1 -12.518 -7.759 -1.784 19 3HE MET 1 3HE MET 1 -13.818 -7.205 -0.702 20 H GLU 2 H GLU 2 -9.655 -7.587 -6.099 21 HA GLU 2 HA GLU 2 -8.304 -6.176 -7.047 22 1HB GLU 2 1HB GLU 2 -10.156 -6.366 -9.464 23 2HB GLU 2 2HB GLU 2 -8.497 -5.800 -9.492 24 1HG GLU 2 1HG GLU 2 -7.667 -7.921 -9.509 25 2HG GLU 2 2HG GLU 2 -8.688 -8.416 -8.174 26 H PHE 3 H PHE 3 -8.146 -4.113 -6.292 27 HA PHE 3 HA PHE 3 -10.455 -2.363 -6.742 28 1HB PHE 3 1HB PHE 3 -8.142 -2.424 -4.715 29 2HB PHE 3 2HB PHE 3 -9.297 -1.107 -4.787 30 HD1 PHE 3 1HD PHE 3 -11.401 -1.281 -3.733 31 HD2 PHE 3 2HD PHE 3 -8.978 -4.739 -4.147 32 HE1 PHE 3 1HE PHE 3 -12.931 -2.538 -2.190 33 HE2 PHE 3 2HE PHE 3 -10.508 -5.996 -2.605 34 HZ PHE 3 HZ PHE 3 -12.466 -4.881 -1.645 35 H THR 4 H THR 4 -10.228 -0.563 -8.005 36 HA THR 4 HA THR 4 -7.703 -0.161 -9.318 37 HB THR 4 HB THR 4 -9.012 1.362 -10.695 38 HG1 THR 4 1HG THR 4 -10.905 2.269 -9.790 39 1HG2 THR 4 1HG2 THR 4 -10.055 -1.264 -10.040 40 2HG2 THR 4 2HG2 THR 4 -11.423 -0.146 -10.251 41 3HG2 THR 4 3HG2 THR 4 -10.238 -0.359 -11.562 42 H ALA 5 H ALA 5 -6.616 1.952 -9.463 43 HA ALA 5 HA ALA 5 -5.822 2.842 -6.987 44 1HB ALA 5 1HB ALA 5 -5.772 4.683 -9.367 45 2HB ALA 5 2HB ALA 5 -4.494 4.325 -8.180 46 3HB ALA 5 3HB ALA 5 -4.886 3.142 -9.451 47 H GLU 6 H GLU 6 -8.560 3.846 -9.044 48 HA GLU 6 HA GLU 6 -9.059 6.205 -7.594 49 1HB GLU 6 1HB GLU 6 -10.236 4.734 -9.844 50 2HB GLU 6 2HB GLU 6 -11.476 5.411 -8.807 51 1HG GLU 6 1HG GLU 6 -10.650 7.648 -9.078 52 2HG GLU 6 2HG GLU 6 -9.108 7.096 -9.701 53 H GLN 7 H GLN 7 -10.361 2.836 -7.512 54 HA GLN 7 HA GLN 7 -12.252 3.449 -5.518 55 1HB GLN 7 1HB GLN 7 -11.803 1.332 -7.256 56 2HB GLN 7 2HB GLN 7 -11.355 0.629 -5.715 57 1HG GLN 7 1HG GLN 7 -13.659 1.888 -4.966 58 2HG GLN 7 2HG GLN 7 -14.031 1.606 -6.655 59 1HE2 GLN 7 1HE2 GLN 7 -13.916 0.313 -3.556 60 2HE2 GLN 7 2HE2 GLN 7 -14.192 -1.360 -3.912 61 H LEU 8 H LEU 8 -8.929 2.048 -5.554 62 HA LEU 8 HA LEU 8 -8.829 1.318 -2.875 63 1HB LEU 8 1HB LEU 8 -7.191 0.442 -4.254 64 2HB LEU 8 2HB LEU 8 -6.808 1.991 -4.977 65 HG LEU 8 HG LEU 8 -6.048 2.527 -2.454 66 1HD1 LEU 8 1HD1 LEU 8 -6.651 0.375 -1.534 67 2HD1 LEU 8 2HD1 LEU 8 -5.657 -0.464 -2.750 68 3HD1 LEU 8 3HD1 LEU 8 -4.880 0.558 -1.516 69 1HD2 LEU 8 1HD2 LEU 8 -4.378 1.067 -4.520 70 2HD2 LEU 8 2HD2 LEU 8 -4.678 2.820 -4.445 71 3HD2 LEU 8 3HD2 LEU 8 -3.750 2.019 -3.154 72 H SER 9 H SER 9 -8.338 4.459 -4.527 73 HA SER 9 HA SER 9 -7.244 5.748 -2.316 74 1HB SER 9 1HB SER 9 -7.726 7.816 -3.541 75 2HB SER 9 2HB SER 9 -7.113 6.604 -4.647 76 HG SER 9 HG SER 9 -9.937 7.088 -4.239 77 H GLN 10 H GLN 10 -10.354 4.449 -2.834 78 HA GLN 10 HA GLN 10 -11.841 6.470 -1.531 79 1HB GLN 10 1HB GLN 10 -12.625 3.550 -1.891 80 2HB GLN 10 2HB GLN 10 -13.700 4.917 -1.679 81 1HG GLN 10 1HG GLN 10 -11.768 4.790 -4.025 82 2HG GLN 10 2HG GLN 10 -13.332 4.004 -4.099 83 1HE2 GLN 10 1HE2 GLN 10 -15.152 5.486 -3.141 84 2HE2 GLN 10 2HE2 GLN 10 -15.225 7.087 -3.797 85 H TYR 11 H TYR 11 -9.731 3.902 -0.512 86 HA TYR 11 HA TYR 11 -10.764 4.180 2.231 87 1HB TYR 11 1HB TYR 11 -9.198 1.860 0.956 88 2HB TYR 11 2HB TYR 11 -10.042 1.820 2.491 89 HD1 TYR 11 1HD TYR 11 -10.613 2.129 -1.186 90 HD2 TYR 11 2HD TYR 11 -12.281 1.092 2.615 91 HE1 TYR 11 1HE TYR 11 -12.683 1.205 -2.338 92 HE2 TYR 11 2HE TYR 11 -14.345 0.171 1.450 93 HH TYR 11 HH TYR 11 -14.703 -0.837 -1.043 94 H ASN 12 H ASN 12 -9.209 6.160 1.994 95 HA ASN 12 HA ASN 12 -6.476 5.243 2.371 96 1HB ASN 12 1HB ASN 12 -5.763 7.268 1.464 97 2HB ASN 12 2HB ASN 12 -7.332 7.184 0.689 98 1HD2 ASN 12 1HD2 ASN 12 -9.181 8.004 2.149 99 2HD2 ASN 12 2HD2 ASN 12 -8.927 9.532 2.923 100 H GLY 13 H GLY 13 -9.037 5.488 4.253 101 1HA GLY 13 1HA GLY 13 -9.148 5.679 6.526 102 2HA GLY 13 2HA GLY 13 -7.570 6.441 6.558 103 H THR 14 H THR 14 -11.030 6.936 6.491 104 HA THR 14 HA THR 14 -10.881 9.548 7.404 105 HB THR 14 HB THR 14 -10.178 9.484 4.714 106 HG1 THR 14 1HG THR 14 -10.458 11.748 5.073 107 1HG2 THR 14 1HG2 THR 14 -12.566 8.894 4.089 108 2HG2 THR 14 2HG2 THR 14 -13.105 10.360 4.944 109 3HG2 THR 14 3HG2 THR 14 -12.070 10.500 3.502 110 H ASP 15 H ASP 15 -12.676 7.089 5.520 111 HA ASP 15 HA ASP 15 -15.176 8.156 6.282 112 1HB ASP 15 1HB ASP 15 -14.199 5.604 4.981 113 2HB ASP 15 2HB ASP 15 -15.855 5.679 5.547 114 H GLU 16 H GLU 16 -16.725 6.081 7.238 115 HA GLU 16 HA GLU 16 -15.496 5.594 9.813 116 1HB GLU 16 1HB GLU 16 -18.324 5.759 8.790 117 2HB GLU 16 2HB GLU 16 -18.024 4.788 10.218 118 1HG GLU 16 1HG GLU 16 -16.900 6.747 11.307 119 2HG GLU 16 2HG GLU 16 -17.216 7.716 9.882 120 H SER 17 H SER 17 -17.885 3.721 7.811 121 HA SER 17 HA SER 17 -16.934 1.293 8.820 122 1HB SER 17 1HB SER 17 -18.850 2.130 6.646 123 2HB SER 17 2HB SER 17 -18.327 0.458 6.693 124 HG SER 17 HG SER 17 -20.277 1.531 8.125 125 H LYS 18 H LYS 18 -16.484 3.077 5.705 126 HA LYS 18 HA LYS 18 -15.169 1.238 4.225 127 1HB LYS 18 1HB LYS 18 -15.394 4.123 4.317 128 2HB LYS 18 2HB LYS 18 -13.780 3.658 3.817 129 1HG LYS 18 1HG LYS 18 -15.377 3.851 1.888 130 2HG LYS 18 2HG LYS 18 -14.658 2.258 2.016 131 1HD LYS 18 1HD LYS 18 -16.858 1.839 3.558 132 2HD LYS 18 2HD LYS 18 -17.491 3.115 2.537 133 1HE LYS 18 1HE LYS 18 -16.013 1.118 0.960 134 2HE LYS 18 2HE LYS 18 -17.306 0.375 1.881 135 1HZ LYS 18 1HZ LYS 18 -18.340 2.690 0.839 136 2HZ LYS 18 2HZ LYS 18 -17.495 2.009 -0.382 137 3HZ LYS 18 3HZ LYS 18 -18.674 1.162 0.368 138 HA PRO 19 HA PRO 19 -11.694 0.345 6.706 139 1HB PRO 19 1HB PRO 19 -10.698 -1.694 5.181 140 2HB PRO 19 2HB PRO 19 -11.941 -1.923 6.395 141 1HG PRO 19 1HG PRO 19 -12.212 -1.874 3.452 142 2HG PRO 19 2HG PRO 19 -13.325 -2.510 4.646 143 1HD PRO 19 1HD PRO 19 -13.569 -0.033 3.220 144 2HD PRO 19 2HD PRO 19 -14.620 -0.616 4.496 145 H ILE 20 H ILE 20 -9.226 -0.522 5.814 146 HA ILE 20 HA ILE 20 -8.477 1.714 4.067 147 HB ILE 20 HB ILE 20 -7.041 0.759 6.547 148 1HG1 ILE 20 1HG1 ILE 20 -7.545 3.484 6.759 149 2HG1 ILE 20 2HG1 ILE 20 -9.023 2.856 6.057 150 1HG2 ILE 20 1HG2 ILE 20 -6.035 2.048 4.195 151 2HG2 ILE 20 2HG2 ILE 20 -5.961 3.186 5.561 152 3HG2 ILE 20 3HG2 ILE 20 -5.177 1.593 5.687 153 1HD1 ILE 20 1HD1 ILE 20 -9.070 1.080 7.861 154 2HD1 ILE 20 2HD1 ILE 20 -7.667 1.879 8.609 155 3HD1 ILE 20 3HD1 ILE 20 -9.219 2.741 8.482 156 H TYR 21 H TYR 21 -7.446 1.074 2.251 157 HA TYR 21 HA TYR 21 -6.140 -1.562 2.340 158 1HB TYR 21 1HB TYR 21 -7.773 -0.111 0.163 159 2HB TYR 21 2HB TYR 21 -6.932 -1.623 -0.118 160 HD1 TYR 21 1HD TYR 21 -9.884 -1.191 -0.554 161 HD2 TYR 21 2HD TYR 21 -7.716 -2.574 2.865 162 HE1 TYR 21 1HE TYR 21 -11.931 -2.478 0.232 163 HE2 TYR 21 2HE TYR 21 -9.770 -3.856 3.640 164 HH TYR 21 HH TYR 21 -12.399 -4.434 1.625 165 H VAL 22 H VAL 22 -4.043 -1.615 1.654 166 HA VAL 22 HA VAL 22 -3.041 0.855 0.423 167 HB VAL 22 HB VAL 22 -1.495 -1.253 1.937 168 1HG1 VAL 22 1HG1 VAL 22 0.198 0.561 2.127 169 2HG1 VAL 22 2HG1 VAL 22 -0.112 0.067 0.445 170 3HG1 VAL 22 3HG1 VAL 22 -0.813 1.578 1.073 171 1HG2 VAL 22 1HG2 VAL 22 -3.338 0.005 3.250 172 2HG2 VAL 22 2HG2 VAL 22 -1.691 -0.030 3.922 173 3HG2 VAL 22 3HG2 VAL 22 -2.279 1.426 3.084 174 H ALA 23 H ALA 23 -1.438 0.638 -1.299 175 HA ALA 23 HA ALA 23 -1.775 -1.908 -2.730 176 1HB ALA 23 1HB ALA 23 -2.849 -0.036 -3.869 177 2HB ALA 23 2HB ALA 23 -1.357 0.928 -3.757 178 3HB ALA 23 3HB ALA 23 -1.401 -0.528 -4.780 179 H ILE 24 H ILE 24 0.054 -3.005 -3.416 180 HA ILE 24 HA ILE 24 2.608 -1.654 -3.253 181 HB ILE 24 HB ILE 24 1.836 -3.959 -1.475 182 1HG1 ILE 24 1HG1 ILE 24 2.955 -1.190 -0.978 183 2HG1 ILE 24 2HG1 ILE 24 1.393 -1.816 -0.492 184 1HG2 ILE 24 1HG2 ILE 24 4.038 -4.527 -1.080 185 2HG2 ILE 24 2HG2 ILE 24 4.048 -4.220 -2.833 186 3HG2 ILE 24 3HG2 ILE 24 4.666 -2.985 -1.711 187 1HD1 ILE 24 1HD1 ILE 24 2.597 -2.072 1.492 188 2HD1 ILE 24 2HD1 ILE 24 2.854 -3.669 0.750 189 3HD1 ILE 24 3HD1 ILE 24 4.121 -2.423 0.642 190 H LYS 25 H LYS 25 3.429 -2.032 -5.237 191 HA LYS 25 HA LYS 25 4.098 -3.108 -7.044 192 1HB LYS 25 1HB LYS 25 3.690 -5.558 -5.311 193 2HB LYS 25 2HB LYS 25 4.368 -5.622 -6.926 194 1HG LYS 25 1HG LYS 25 5.502 -3.820 -4.741 195 2HG LYS 25 2HG LYS 25 6.057 -5.463 -4.989 196 1HD LYS 25 1HD LYS 25 6.032 -3.385 -7.222 197 2HD LYS 25 2HD LYS 25 7.412 -3.618 -6.166 198 1HE LYS 25 1HE LYS 25 6.158 -5.882 -7.788 199 2HE LYS 25 2HE LYS 25 7.491 -4.909 -8.377 200 1HZ LYS 25 1HZ LYS 25 7.704 -7.100 -6.822 201 2HZ LYS 25 2HZ LYS 25 8.890 -6.011 -7.091 202 3HZ LYS 25 3HZ LYS 25 7.955 -5.887 -5.758 203 H GLY 26 H GLY 26 1.114 -2.631 -6.183 204 1HA GLY 26 1HA GLY 26 -0.647 -2.541 -7.709 205 2HA GLY 26 2HA GLY 26 0.018 -3.906 -8.584 206 H ARG 27 H ARG 27 0.119 -4.277 -5.126 207 HA ARG 27 HA ARG 27 -2.219 -5.997 -5.339 208 1HB ARG 27 1HB ARG 27 0.228 -6.895 -4.779 209 2HB ARG 27 2HB ARG 27 -0.117 -6.293 -3.170 210 1HG ARG 27 1HG ARG 27 -2.258 -7.658 -3.176 211 2HG ARG 27 2HG ARG 27 -1.781 -8.331 -4.722 212 1HD ARG 27 1HD ARG 27 0.364 -8.501 -2.683 213 2HD ARG 27 2HD ARG 27 -1.089 -9.362 -2.217 214 HE ARG 27 HE ARG 27 -0.437 -9.948 -4.968 215 1HH1 ARG 27 2HH2 ARG 27 0.566 -10.675 -1.674 216 2HH1 ARG 27 1HH2 ARG 27 1.237 -12.219 -2.083 217 1HH2 ARG 27 2HH1 ARG 27 0.448 -11.985 -5.508 218 2HH2 ARG 27 1HH1 ARG 27 1.169 -12.968 -4.279 219 H VAL 28 H VAL 28 -3.934 -5.642 -3.911 220 HA VAL 28 HA VAL 28 -3.693 -3.321 -2.198 221 HB VAL 28 HB VAL 28 -5.935 -5.035 -3.229 222 1HG1 VAL 28 1HG1 VAL 28 -7.395 -3.305 -1.894 223 2HG1 VAL 28 2HG1 VAL 28 -6.780 -4.770 -1.091 224 3HG1 VAL 28 3HG1 VAL 28 -5.962 -3.208 -0.842 225 1HG2 VAL 28 1HG2 VAL 28 -6.535 -2.334 -3.545 226 2HG2 VAL 28 2HG2 VAL 28 -4.780 -2.422 -3.828 227 3HG2 VAL 28 3HG2 VAL 28 -5.889 -3.430 -4.789 228 H PHE 29 H PHE 29 -3.234 -3.431 -0.063 229 HA PHE 29 HA PHE 29 -3.657 -6.037 1.225 230 1HB PHE 29 1HB PHE 29 -1.544 -3.826 1.475 231 2HB PHE 29 2HB PHE 29 -1.735 -5.028 2.737 232 HD1 PHE 29 1HD PHE 29 0.163 -4.223 -0.007 233 HD2 PHE 29 2HD PHE 29 -1.862 -7.550 1.678 234 HE1 PHE 29 1HE PHE 29 1.679 -5.781 -1.261 235 HE2 PHE 29 2HE PHE 29 -0.346 -9.108 0.424 236 HZ PHE 29 HZ PHE 29 1.406 -8.205 -1.031 237 H ASP 30 H ASP 30 -4.522 -6.059 3.350 238 HA ASP 30 HA ASP 30 -6.012 -3.677 3.938 239 1HB ASP 30 1HB ASP 30 -7.392 -5.522 4.259 240 2HB ASP 30 2HB ASP 30 -6.069 -6.563 4.746 241 H VAL 31 H VAL 31 -5.394 -2.233 5.572 242 HA VAL 31 HA VAL 31 -3.449 -3.213 7.540 243 HB VAL 31 HB VAL 31 -2.285 -1.092 7.405 244 1HG1 VAL 31 1HG1 VAL 31 -0.968 -1.743 5.683 245 2HG1 VAL 31 2HG1 VAL 31 -2.056 -3.152 5.647 246 3HG1 VAL 31 3HG1 VAL 31 -2.320 -1.795 4.526 247 1HG2 VAL 31 1HG2 VAL 31 -2.807 0.437 5.430 248 2HG2 VAL 31 2HG2 VAL 31 -4.361 -0.424 5.305 249 3HG2 VAL 31 3HG2 VAL 31 -3.956 0.472 6.789 250 H THR 32 H THR 32 -6.554 -2.333 7.045 251 HA THR 32 HA THR 32 -7.107 -0.230 8.736 252 HB THR 32 HB THR 32 -9.025 -0.912 7.648 253 HG1 THR 32 1HG THR 32 -10.211 -1.671 9.367 254 1HG2 THR 32 1HG2 THR 32 -7.747 -3.665 7.788 255 2HG2 THR 32 2HG2 THR 32 -9.491 -3.518 7.464 256 3HG2 THR 32 3HG2 THR 32 -8.314 -2.772 6.356 257 H THR 33 H THR 33 -5.872 -3.407 9.520 258 HA THR 33 HA THR 33 -6.832 -3.698 12.105 259 HB THR 33 HB THR 33 -4.975 -5.270 12.313 260 HG1 THR 33 1HG THR 33 -3.227 -3.952 11.641 261 1HG2 THR 33 1HG2 THR 33 -4.895 -5.594 9.435 262 2HG2 THR 33 2HG2 THR 33 -5.761 -6.592 10.626 263 3HG2 THR 33 3HG2 THR 33 -6.558 -5.172 9.908 264 H GLY 34 H GLY 34 -5.044 -1.106 10.863 265 1HA GLY 34 1HA GLY 34 -4.498 -0.183 13.578 266 2HA GLY 34 2HA GLY 34 -3.119 -0.348 12.508 267 H LYS 35 H LYS 35 -6.545 0.741 11.946 268 HA LYS 35 HA LYS 35 -5.966 2.628 10.062 269 1HB LYS 35 1HB LYS 35 -8.171 3.048 10.145 270 2HB LYS 35 2HB LYS 35 -8.220 1.685 11.244 271 1HG LYS 35 1HG LYS 35 -7.869 3.317 13.171 272 2HG LYS 35 2HG LYS 35 -8.020 4.631 12.022 273 1HD LYS 35 1HD LYS 35 -10.301 3.768 11.378 274 2HD LYS 35 2HD LYS 35 -10.148 2.513 12.591 275 1HE LYS 35 1HE LYS 35 -9.704 4.477 14.274 276 2HE LYS 35 2HE LYS 35 -10.348 5.517 13.019 277 1HZ LYS 35 1HZ LYS 35 -12.396 4.682 13.291 278 2HZ LYS 35 2HZ LYS 35 -11.896 3.165 13.633 279 3HZ LYS 35 3HZ LYS 35 -11.858 4.318 14.789 280 H SER 36 H SER 36 -5.326 2.682 13.511 281 HA SER 36 HA SER 36 -5.280 5.421 13.880 282 1HB SER 36 1HB SER 36 -4.783 3.138 15.419 283 2HB SER 36 2HB SER 36 -3.226 3.940 15.396 284 HG SER 36 HG SER 36 -5.729 4.874 16.433 285 H PHE 37 H PHE 37 -3.241 3.330 12.017 286 HA PHE 37 HA PHE 37 -1.087 5.318 12.049 287 1HB PHE 37 1HB PHE 37 -1.284 2.400 11.088 288 2HB PHE 37 2HB PHE 37 0.178 3.360 10.986 289 HD1 PHE 37 1HD PHE 37 1.366 4.026 13.062 290 HD2 PHE 37 2HD PHE 37 -1.953 1.383 13.144 291 HE1 PHE 37 1HE PHE 37 2.017 3.280 15.369 292 HE2 PHE 37 2HE PHE 37 -1.302 0.637 15.451 293 HZ PHE 37 HZ PHE 37 0.676 1.594 16.535 294 H TYR 38 H TYR 38 -3.254 3.351 9.935 295 HA TYR 38 HA TYR 38 -2.300 4.817 7.608 296 1HB TYR 38 1HB TYR 38 -3.895 2.353 8.341 297 2HB TYR 38 2HB TYR 38 -4.368 3.124 6.841 298 HD1 TYR 38 1HD TYR 38 -2.120 0.825 8.362 299 HD2 TYR 38 2HD TYR 38 -2.458 3.587 5.112 300 HE1 TYR 38 1HE TYR 38 -0.226 -0.360 7.147 301 HE2 TYR 38 2HE TYR 38 -0.564 2.393 3.909 302 HH TYR 38 HH TYR 38 1.156 0.975 4.228 303 H GLY 39 H GLY 39 -5.209 4.412 9.680 304 1HA GLY 39 1HA GLY 39 -7.185 5.574 8.260 305 2HA GLY 39 2HA GLY 39 -6.952 5.822 9.979 306 H SER 40 H SER 40 -8.136 7.860 8.557 307 HA SER 40 HA SER 40 -6.850 9.682 7.217 308 1HB SER 40 1HB SER 40 -9.164 9.759 8.471 309 2HB SER 40 2HB SER 40 -8.278 10.598 9.729 310 HG SER 40 HG SER 40 -7.738 12.263 8.270 311 H GLY 41 H GLY 41 -4.957 10.844 7.341 312 1HA GLY 41 1HA GLY 41 -2.961 11.503 8.169 313 2HA GLY 41 2HA GLY 41 -3.941 12.244 9.419 314 H GLY 42 H GLY 42 -1.998 9.387 8.525 315 1HA GLY 42 1HA GLY 42 -1.546 8.867 11.368 316 2HA GLY 42 2HA GLY 42 -2.233 7.570 10.411 317 H ASP 43 H ASP 43 0.008 6.698 11.324 318 HA ASP 43 HA ASP 43 2.410 7.441 10.602 319 1HB ASP 43 1HB ASP 43 1.201 5.021 11.353 320 2HB ASP 43 2HB ASP 43 1.998 4.612 9.847 321 H TYR 44 H TYR 44 0.126 5.546 8.489 322 HA TYR 44 HA TYR 44 1.795 6.279 6.181 323 1HB TYR 44 1HB TYR 44 -0.424 4.205 6.171 324 2HB TYR 44 2HB TYR 44 1.102 4.160 5.310 325 HD1 TYR 44 1HD TYR 44 3.253 3.813 6.757 326 HD2 TYR 44 2HD TYR 44 -0.707 2.935 8.119 327 HE1 TYR 44 1HE TYR 44 4.200 2.258 8.532 328 HE2 TYR 44 2HE TYR 44 0.254 1.383 9.889 329 HH TYR 44 HH TYR 44 3.629 1.306 10.579 330 H SER 45 H SER 45 0.493 8.447 6.657 331 HA SER 45 HA SER 45 -2.223 8.392 5.913 332 1HB SER 45 1HB SER 45 -2.208 10.565 6.601 333 2HB SER 45 2HB SER 45 -0.614 10.183 7.222 334 HG SER 45 HG SER 45 -1.358 11.724 4.965 335 H MET 46 H MET 46 0.875 8.649 4.227 336 HA MET 46 HA MET 46 -0.340 9.696 1.855 337 1HB MET 46 1HB MET 46 2.068 9.240 0.966 338 2HB MET 46 2HB MET 46 1.928 10.408 2.265 339 1HG MET 46 1HG MET 46 2.262 7.573 3.153 340 2HG MET 46 2HG MET 46 3.639 8.249 2.308 341 1HE MET 46 1HE MET 46 3.887 10.855 2.580 342 2HE MET 46 2HE MET 46 2.749 11.655 3.691 343 3HE MET 46 3HE MET 46 4.450 11.435 4.166 344 H PHE 47 H PHE 47 0.621 6.561 3.225 345 HA PHE 47 HA PHE 47 0.536 5.176 0.741 346 1HB PHE 47 1HB PHE 47 0.230 4.223 3.651 347 2HB PHE 47 2HB PHE 47 0.695 3.208 2.300 348 HD1 PHE 47 1HD PHE 47 2.336 6.067 1.519 349 HD2 PHE 47 2HD PHE 47 2.418 3.041 4.493 350 HE1 PHE 47 1HE PHE 47 4.752 6.576 1.969 351 HE2 PHE 47 2HE PHE 47 4.834 3.550 4.943 352 HZ PHE 47 HZ PHE 47 5.972 5.311 3.676 353 H ALA 48 H ALA 48 -1.783 5.983 3.334 354 HA ALA 48 HA ALA 48 -3.734 4.125 2.903 355 1HB ALA 48 1HB ALA 48 -3.454 6.268 4.495 356 2HB ALA 48 2HB ALA 48 -4.551 6.980 3.287 357 3HB ALA 48 3HB ALA 48 -5.040 5.522 4.184 358 H GLY 49 H GLY 49 -5.166 3.640 1.291 359 1HA GLY 49 1HA GLY 49 -6.042 3.652 -0.785 360 2HA GLY 49 2HA GLY 49 -6.401 5.335 -0.453 361 H LYS 50 H LYS 50 -3.124 3.851 -0.723 362 HA LYS 50 HA LYS 50 -2.742 4.747 -3.392 363 1HB LYS 50 1HB LYS 50 -1.720 6.446 -1.123 364 2HB LYS 50 2HB LYS 50 -0.843 6.360 -2.637 365 1HG LYS 50 1HG LYS 50 -3.300 6.790 -3.667 366 2HG LYS 50 2HG LYS 50 -3.580 7.496 -2.088 367 1HD LYS 50 1HD LYS 50 -2.677 9.389 -2.999 368 2HD LYS 50 2HD LYS 50 -1.136 8.609 -2.702 369 1HE LYS 50 1HE LYS 50 -0.731 8.341 -4.929 370 2HE LYS 50 2HE LYS 50 -2.319 7.658 -5.215 371 1HZ LYS 50 1HZ LYS 50 -1.471 10.154 -5.902 372 2HZ LYS 50 2HZ LYS 50 -3.001 9.589 -5.989 373 3HZ LYS 50 3HZ LYS 50 -2.507 10.409 -4.665 374 H ASP 51 H ASP 51 -0.645 4.067 -4.227 375 HA ASP 51 HA ASP 51 0.268 1.789 -2.762 376 1HB ASP 51 1HB ASP 51 -0.070 1.642 -5.201 377 2HB ASP 51 2HB ASP 51 1.045 2.967 -5.469 378 H ALA 52 H ALA 52 1.975 1.979 -1.306 379 HA ALA 52 HA ALA 52 3.901 4.148 -1.795 380 1HB ALA 52 1HB ALA 52 4.215 4.181 0.650 381 2HB ALA 52 2HB ALA 52 2.510 4.466 0.225 382 3HB ALA 52 3HB ALA 52 3.023 2.871 0.828 383 H SER 53 H SER 53 4.252 1.825 -3.249 384 HA SER 53 HA SER 53 5.746 -0.073 -1.807 385 1HB SER 53 1HB SER 53 6.480 -0.608 -4.331 386 2HB SER 53 2HB SER 53 4.894 -1.037 -3.721 387 HG SER 53 HG SER 53 5.618 1.247 -5.335 388 H ARG 54 H ARG 54 6.506 2.798 -3.847 389 HA ARG 54 HA ARG 54 9.246 2.335 -3.928 390 1HB ARG 54 1HB ARG 54 8.148 5.151 -3.975 391 2HB ARG 54 2HB ARG 54 9.374 4.432 -4.999 392 1HG ARG 54 1HG ARG 54 7.197 2.875 -5.656 393 2HG ARG 54 2HG ARG 54 6.402 4.392 -5.283 394 1HD ARG 54 1HD ARG 54 8.746 4.101 -7.227 395 2HD ARG 54 2HD ARG 54 7.063 4.194 -7.708 396 HE ARG 54 HE ARG 54 7.588 6.433 -6.032 397 1HH1 ARG 54 2HH2 ARG 54 8.541 5.204 -9.189 398 2HH1 ARG 54 1HH2 ARG 54 8.845 6.776 -9.851 399 1HH2 ARG 54 2HH1 ARG 54 7.989 8.507 -6.905 400 2HH2 ARG 54 1HH1 ARG 54 8.528 8.667 -8.543 401 H ALA 55 H ALA 55 7.204 4.555 -1.888 402 HA ALA 55 HA ALA 55 9.310 5.535 -0.342 403 1HB ALA 55 1HB ALA 55 7.646 6.734 0.627 404 2HB ALA 55 2HB ALA 55 6.614 6.024 -0.638 405 3HB ALA 55 3HB ALA 55 6.677 5.283 0.979 406 H LEU 56 H LEU 56 7.327 2.568 -0.155 407 HA LEU 56 HA LEU 56 8.013 1.864 2.462 408 1HB LEU 56 1HB LEU 56 6.927 0.473 0.060 409 2HB LEU 56 2HB LEU 56 7.537 -0.511 1.376 410 HG LEU 56 HG LEU 56 5.524 1.677 1.881 411 1HD1 LEU 56 1HD1 LEU 56 3.989 0.617 0.677 412 2HD1 LEU 56 2HD1 LEU 56 5.097 -0.733 0.336 413 3HD1 LEU 56 3HD1 LEU 56 4.116 -0.741 1.821 414 1HD2 LEU 56 1HD2 LEU 56 6.336 -0.840 3.351 415 2HD2 LEU 56 2HD2 LEU 56 6.543 0.851 3.868 416 3HD2 LEU 56 3HD2 LEU 56 4.913 0.142 3.776 417 H GLY 57 H GLY 57 9.569 1.229 -0.728 418 1HA GLY 57 1HA GLY 57 11.565 -0.511 0.215 419 2HA GLY 57 2HA GLY 57 11.608 0.444 -1.254 420 H LYS 58 H LYS 58 12.008 2.930 -0.873 421 HA LYS 58 HA LYS 58 14.498 3.175 0.359 422 1HB LYS 58 1HB LYS 58 12.573 5.389 -0.405 423 2HB LYS 58 2HB LYS 58 14.304 5.534 -0.181 424 1HG LYS 58 1HG LYS 58 14.807 4.410 -2.172 425 2HG LYS 58 2HG LYS 58 13.334 3.460 -2.139 426 1HD LYS 58 1HD LYS 58 12.753 6.337 -2.348 427 2HD LYS 58 2HD LYS 58 13.793 5.798 -3.652 428 1HE LYS 58 1HE LYS 58 11.770 3.785 -3.316 429 2HE LYS 58 2HE LYS 58 10.951 5.335 -3.296 430 1HZ LYS 58 1HZ LYS 58 11.587 4.131 -5.510 431 2HZ LYS 58 2HZ LYS 58 11.565 5.760 -5.405 432 3HZ LYS 58 3HZ LYS 58 12.983 4.955 -5.316 433 H MET 59 H MET 59 11.213 3.375 1.593 434 HA MET 59 HA MET 59 10.429 3.632 3.605 435 1HB MET 59 1HB MET 59 13.347 3.597 4.557 436 2HB MET 59 2HB MET 59 11.946 3.306 5.568 437 1HG MET 59 1HG MET 59 11.697 1.143 4.829 438 2HG MET 59 2HG MET 59 12.045 1.564 3.164 439 1HE MET 59 1HE MET 59 12.805 -0.604 5.528 440 2HE MET 59 2HE MET 59 14.560 -0.881 5.632 441 3HE MET 59 3HE MET 59 13.795 0.371 6.640 442 H SER 60 H SER 60 10.499 5.937 2.189 443 HA SER 60 HA SER 60 11.560 7.884 4.083 444 1HB SER 60 1HB SER 60 12.325 7.787 1.554 445 2HB SER 60 2HB SER 60 10.786 8.560 1.235 446 HG SER 60 HG SER 60 11.737 9.986 3.223 447 H LYS 61 H LYS 61 8.743 6.532 2.488 448 HA LYS 61 HA LYS 61 6.579 6.919 2.674 449 1HB LYS 61 1HB LYS 61 7.246 8.657 5.066 450 2HB LYS 61 2HB LYS 61 5.703 7.910 4.703 451 1HG LYS 61 1HG LYS 61 6.348 5.970 5.683 452 2HG LYS 61 2HG LYS 61 7.753 5.861 4.643 453 1HD LYS 61 1HD LYS 61 8.515 7.867 6.411 454 2HD LYS 61 2HD LYS 61 7.548 6.832 7.443 455 1HE LYS 61 1HE LYS 61 8.912 4.866 6.826 456 2HE LYS 61 2HE LYS 61 9.818 5.817 5.667 457 1HZ LYS 61 1HZ LYS 61 9.890 7.107 8.131 458 2HZ LYS 61 2HZ LYS 61 10.302 5.545 8.368 459 3HZ LYS 61 3HZ LYS 61 11.131 6.454 7.294 460 H ASN 62 H ASN 62 8.672 8.914 1.386 461 HA ASN 62 HA ASN 62 7.747 11.438 1.447 462 1HB ASN 62 1HB ASN 62 9.166 9.726 -0.536 463 2HB ASN 62 2HB ASN 62 8.337 11.088 -1.262 464 1HD2 ASN 62 1HD2 ASN 62 8.750 13.225 -0.429 465 2HD2 ASN 62 2HD2 ASN 62 10.299 13.626 0.234 466 H GLU 63 H GLU 63 6.178 12.646 0.111 467 HA GLU 63 HA GLU 63 3.845 11.142 -0.403 468 1HB GLU 63 1HB GLU 63 4.281 13.708 0.332 469 2HB GLU 63 2HB GLU 63 4.110 13.964 -1.393 470 1HG GLU 63 1HG GLU 63 2.003 12.205 -0.793 471 2HG GLU 63 2HG GLU 63 2.057 13.259 0.606 472 H GLU 64 H GLU 64 6.618 12.203 -2.279 473 HA GLU 64 HA GLU 64 5.192 11.861 -4.757 474 1HB GLU 64 1HB GLU 64 8.102 12.199 -4.969 475 2HB GLU 64 2HB GLU 64 6.816 13.171 -5.656 476 1HG GLU 64 1HG GLU 64 7.610 14.743 -4.170 477 2HG GLU 64 2HG GLU 64 6.531 13.917 -3.064 478 H ASP 65 H ASP 65 7.135 10.043 -2.508 479 HA ASP 65 HA ASP 65 8.309 8.279 -4.313 480 1HB ASP 65 1HB ASP 65 7.755 8.379 -1.373 481 2HB ASP 65 2HB ASP 65 8.007 6.774 -2.032 482 H VAL 66 H VAL 66 5.229 8.297 -2.407 483 HA VAL 66 HA VAL 66 4.359 5.742 -2.916 484 HB VAL 66 HB VAL 66 2.883 8.353 -2.571 485 1HG1 VAL 66 1HG1 VAL 66 1.523 5.737 -2.068 486 2HG1 VAL 66 2HG1 VAL 66 0.842 7.312 -2.544 487 3HG1 VAL 66 3HG1 VAL 66 1.666 6.297 -3.752 488 1HG2 VAL 66 1HG2 VAL 66 3.530 8.098 -0.448 489 2HG2 VAL 66 2HG2 VAL 66 2.484 6.660 -0.371 490 3HG2 VAL 66 3HG2 VAL 66 4.207 6.486 -0.782 491 H SER 67 H SER 67 3.894 4.647 -4.748 492 HA SER 67 HA SER 67 2.637 6.066 -6.893 493 1HB SER 67 1HB SER 67 4.718 6.497 -7.810 494 2HB SER 67 2HB SER 67 5.481 5.141 -7.003 495 HG SER 67 HG SER 67 5.109 5.034 -9.442 496 HA PRO 68 HA PRO 68 0.870 2.075 -7.060 497 1HB PRO 68 1HB PRO 68 -0.792 2.428 -9.200 498 2HB PRO 68 2HB PRO 68 -1.202 2.937 -7.574 499 1HG PRO 68 1HG PRO 68 -0.362 4.589 -9.878 500 2HG PRO 68 2HG PRO 68 -1.171 5.088 -8.405 501 1HD PRO 68 1HD PRO 68 1.603 5.442 -9.044 502 2HD PRO 68 2HD PRO 68 0.819 5.836 -7.528 503 H SER 69 H SER 69 3.266 3.099 -8.882 504 HA SER 69 HA SER 69 3.523 0.503 -10.043 505 1HB SER 69 1HB SER 69 2.292 2.335 -11.652 506 2HB SER 69 2HB SER 69 3.964 2.688 -12.037 507 HG SER 69 HG SER 69 3.972 0.098 -12.149 508 H LEU 70 H LEU 70 5.359 0.376 -8.619 509 HA LEU 70 HA LEU 70 7.237 1.968 -7.891 510 1HB LEU 70 1HB LEU 70 8.941 0.190 -8.323 511 2HB LEU 70 2HB LEU 70 7.500 -0.315 -7.463 512 HG LEU 70 HG LEU 70 6.664 -1.045 -9.846 513 1HD1 LEU 70 1HD1 LEU 70 8.089 -1.006 -11.547 514 2HD1 LEU 70 2HD1 LEU 70 9.199 -0.062 -10.524 515 3HD1 LEU 70 3HD1 LEU 70 9.343 -1.835 -10.595 516 1HD2 LEU 70 1HD2 LEU 70 6.947 -3.119 -9.069 517 2HD2 LEU 70 2HD2 LEU 70 8.719 -2.959 -9.020 518 3HD2 LEU 70 3HD2 LEU 70 7.733 -2.352 -7.669 519 H GLU 71 H GLU 71 7.218 0.693 -11.291 520 HA GLU 71 HA GLU 71 8.608 1.306 -12.946 521 1HB GLU 71 1HB GLU 71 6.856 3.728 -12.362 522 2HB GLU 71 2HB GLU 71 7.795 3.575 -13.834 523 1HG GLU 71 1HG GLU 71 5.768 1.489 -12.902 524 2HG GLU 71 2HG GLU 71 5.382 2.781 -14.021 525 H GLY 72 H GLY 72 10.167 1.501 -10.611 526 1HA GLY 72 1HA GLY 72 12.350 2.905 -11.297 527 2HA GLY 72 2HA GLY 72 11.380 4.131 -10.505 528 H LEU 73 H LEU 73 11.472 0.602 -9.743 529 HA LEU 73 HA LEU 73 12.174 1.322 -7.012 530 1HB LEU 73 1HB LEU 73 10.656 -0.798 -8.335 531 2HB LEU 73 2HB LEU 73 11.750 -1.405 -7.108 532 HG LEU 73 HG LEU 73 9.232 -0.611 -6.606 533 1HD1 LEU 73 1HD1 LEU 73 10.175 -0.120 -4.194 534 2HD1 LEU 73 2HD1 LEU 73 10.250 -1.751 -4.902 535 3HD1 LEU 73 3HD1 LEU 73 11.694 -0.710 -4.911 536 1HD2 LEU 73 1HD2 LEU 73 8.960 1.564 -5.925 537 2HD2 LEU 73 2HD2 LEU 73 10.697 1.806 -5.618 538 3HD2 LEU 73 3HD2 LEU 73 10.083 1.780 -7.289 539 H THR 74 H THR 74 14.320 1.535 -6.636 540 HA THR 74 HA THR 74 16.235 0.131 -8.234 541 HB THR 74 HB THR 74 17.817 1.447 -6.948 542 HG1 THR 74 1HG THR 74 16.761 2.522 -4.958 543 1HG2 THR 74 1HG2 THR 74 15.320 2.717 -7.842 544 2HG2 THR 74 2HG2 THR 74 16.016 3.575 -6.446 545 3HG2 THR 74 3HG2 THR 74 16.984 3.344 -7.922 546 H GLU 75 H GLU 75 18.211 -0.728 -6.584 547 HA GLU 75 HA GLU 75 17.179 -3.221 -5.831 548 1HB GLU 75 1HB GLU 75 19.779 -1.962 -6.160 549 2HB GLU 75 2HB GLU 75 19.760 -2.879 -4.666 550 1HG GLU 75 1HG GLU 75 18.469 -4.606 -6.438 551 2HG GLU 75 2HG GLU 75 19.664 -3.842 -7.468 552 H LYS 76 H LYS 76 18.255 -0.290 -4.025 553 HA LYS 76 HA LYS 76 18.200 -1.322 -1.476 554 1HB LYS 76 1HB LYS 76 18.360 0.858 -0.768 555 2HB LYS 76 2HB LYS 76 18.904 1.011 -2.427 556 1HG LYS 76 1HG LYS 76 16.689 1.782 -3.150 557 2HG LYS 76 2HG LYS 76 16.006 1.451 -1.571 558 1HD LYS 76 1HD LYS 76 16.439 3.663 -1.167 559 2HD LYS 76 2HD LYS 76 18.072 3.111 -0.855 560 1HE LYS 76 1HE LYS 76 18.140 3.364 -3.602 561 2HE LYS 76 2HE LYS 76 16.999 4.628 -3.190 562 1HZ LYS 76 1HZ LYS 76 19.794 4.485 -2.660 563 2HZ LYS 76 2HZ LYS 76 18.822 5.792 -2.770 564 3HZ LYS 76 3HZ LYS 76 18.922 4.965 -1.366 565 H GLU 77 H GLU 77 15.501 0.192 -3.371 566 HA GLU 77 HA GLU 77 13.654 -0.392 -1.307 567 1HB GLU 77 1HB GLU 77 11.997 0.240 -3.261 568 2HB GLU 77 2HB GLU 77 13.010 1.477 -2.543 569 1HG GLU 77 1HG GLU 77 14.446 0.109 -4.696 570 2HG GLU 77 2HG GLU 77 12.909 0.717 -5.279 571 H ILE 78 H ILE 78 14.659 -1.884 -4.411 572 HA ILE 78 HA ILE 78 12.605 -3.680 -4.741 573 HB ILE 78 HB ILE 78 15.467 -3.532 -5.522 574 1HG1 ILE 78 1HG1 ILE 78 13.101 -2.706 -6.641 575 2HG1 ILE 78 2HG1 ILE 78 14.620 -2.904 -7.492 576 1HG2 ILE 78 1HG2 ILE 78 13.805 -6.038 -5.904 577 2HG2 ILE 78 2HG2 ILE 78 15.395 -5.708 -6.631 578 3HG2 ILE 78 3HG2 ILE 78 15.242 -5.879 -4.866 579 1HD1 ILE 78 1HD1 ILE 78 12.508 -5.087 -7.179 580 2HD1 ILE 78 2HD1 ILE 78 12.750 -4.094 -8.636 581 3HD1 ILE 78 3HD1 ILE 78 14.021 -5.222 -8.106 582 H ASN 79 H ASN 79 15.265 -3.637 -2.394 583 HA ASN 79 HA ASN 79 14.846 -6.356 -1.672 584 1HB ASN 79 1HB ASN 79 16.582 -4.070 -0.727 585 2HB ASN 79 2HB ASN 79 16.307 -5.383 0.400 586 1HD2 ASN 79 1HD2 ASN 79 18.424 -4.271 -1.724 587 2HD2 ASN 79 2HD2 ASN 79 19.136 -5.722 -2.346 588 H THR 80 H THR 80 14.330 -3.067 -0.192 589 HA THR 80 HA THR 80 12.937 -4.088 2.070 590 HB THR 80 HB THR 80 13.234 -1.306 0.822 591 HG1 THR 80 1HG THR 80 14.817 -1.250 2.605 592 1HG2 THR 80 1HG2 THR 80 11.334 -2.007 2.737 593 2HG2 THR 80 2HG2 THR 80 12.746 -1.596 3.740 594 3HG2 THR 80 3HG2 THR 80 12.085 -0.399 2.600 595 H LEU 81 H LEU 81 11.907 -2.567 -1.041 596 HA LEU 81 HA LEU 81 9.198 -2.514 -0.456 597 1HB LEU 81 1HB LEU 81 10.093 -1.270 -2.270 598 2HB LEU 81 2HB LEU 81 10.730 -2.708 -3.043 599 HG LEU 81 HG LEU 81 8.593 -1.602 -3.987 600 1HD1 LEU 81 1HD1 LEU 81 9.207 -4.488 -3.613 601 2HD1 LEU 81 2HD1 LEU 81 7.603 -4.071 -4.263 602 3HD1 LEU 81 3HD1 LEU 81 9.074 -3.518 -5.100 603 1HD2 LEU 81 1HD2 LEU 81 7.267 -1.313 -2.051 604 2HD2 LEU 81 2HD2 LEU 81 6.495 -2.612 -2.990 605 3HD2 LEU 81 3HD2 LEU 81 7.475 -3.010 -1.559 606 H ASN 82 H ASN 82 11.136 -5.042 -2.203 607 HA ASN 82 HA ASN 82 9.138 -6.770 -2.711 608 1HB ASN 82 1HB ASN 82 12.074 -7.087 -2.066 609 2HB ASN 82 2HB ASN 82 11.108 -8.548 -2.140 610 1HD2 ASN 82 1HD2 ASN 82 10.799 -5.511 -3.951 611 2HD2 ASN 82 2HD2 ASN 82 11.028 -6.169 -5.537 612 H ASP 83 H ASP 83 11.358 -6.817 0.191 613 HA ASP 83 HA ASP 83 10.065 -8.821 1.528 614 1HB ASP 83 1HB ASP 83 12.173 -6.973 2.014 615 2HB ASP 83 2HB ASP 83 11.067 -6.765 3.357 616 H TRP 84 H TRP 84 9.419 -5.313 1.248 617 HA TRP 84 HA TRP 84 7.726 -4.987 3.430 618 1HB TRP 84 1HB TRP 84 8.444 -3.532 1.006 619 2HB TRP 84 2HB TRP 84 6.770 -3.285 1.460 620 HD1 TRP 84 HD TRP 84 9.597 -1.332 1.866 621 HE1 TRP 84 1HE TRP 84 9.852 -0.012 4.137 622 HE3 TRP 84 3HE TRP 84 6.288 -4.164 4.490 623 HZ2 TRP 84 2HZ TRP 84 8.667 -0.295 6.718 624 HZ3 TRP 84 3HZ TRP 84 5.895 -3.575 6.880 625 HH2 TRP 84 HH TRP 84 7.021 -1.715 7.996 626 H GLU 85 H GLU 85 7.091 -5.925 -0.018 627 HA GLU 85 HA GLU 85 4.347 -6.133 0.288 628 1HB GLU 85 1HB GLU 85 4.878 -6.120 -1.945 629 2HB GLU 85 2HB GLU 85 6.391 -6.971 -1.704 630 1HG GLU 85 1HG GLU 85 3.754 -8.429 -1.332 631 2HG GLU 85 2HG GLU 85 4.403 -8.189 -2.942 632 H THR 86 H THR 86 6.993 -8.590 0.560 633 HA THR 86 HA THR 86 5.283 -10.771 1.049 634 HB THR 86 HB THR 86 8.190 -10.093 1.148 635 HG1 THR 86 1HG THR 86 7.914 -11.616 -0.437 636 1HG2 THR 86 1HG2 THR 86 8.585 -12.431 2.198 637 2HG2 THR 86 2HG2 THR 86 8.173 -11.125 3.335 638 3HG2 THR 86 3HG2 THR 86 6.931 -12.302 2.842 639 H LYS 87 H LYS 87 6.676 -8.253 3.162 640 HA LYS 87 HA LYS 87 5.941 -9.617 5.551 641 1HB LYS 87 1HB LYS 87 6.785 -6.759 4.993 642 2HB LYS 87 2HB LYS 87 6.493 -7.399 6.598 643 1HG LYS 87 1HG LYS 87 8.347 -8.857 6.510 644 2HG LYS 87 2HG LYS 87 8.361 -8.908 4.758 645 1HD LYS 87 1HD LYS 87 9.301 -6.688 4.597 646 2HD LYS 87 2HD LYS 87 8.972 -6.343 6.283 647 1HE LYS 87 1HE LYS 87 10.628 -8.759 5.978 648 2HE LYS 87 2HE LYS 87 11.376 -7.366 5.222 649 1HZ LYS 87 1HZ LYS 87 10.796 -7.831 8.002 650 2HZ LYS 87 2HZ LYS 87 12.037 -7.021 7.318 651 3HZ LYS 87 3HZ LYS 87 10.583 -6.297 7.484 652 H PHE 88 H PHE 88 4.516 -7.022 3.492 653 HA PHE 88 HA PHE 88 2.341 -6.564 5.236 654 1HB PHE 88 1HB PHE 88 3.348 -5.845 2.512 655 2HB PHE 88 2HB PHE 88 1.598 -5.858 2.605 656 HD1 PHE 88 1HD PHE 88 3.930 -4.897 5.325 657 HD2 PHE 88 2HD PHE 88 1.134 -3.561 2.426 658 HE1 PHE 88 1HE PHE 88 3.968 -2.605 6.345 659 HE2 PHE 88 2HE PHE 88 1.171 -1.268 3.446 660 HZ PHE 88 HZ PHE 88 2.588 -0.817 5.394 661 H GLU 89 H GLU 89 2.832 -8.586 2.281 662 HA GLU 89 HA GLU 89 0.132 -9.380 2.204 663 1HB GLU 89 1HB GLU 89 0.730 -10.596 0.305 664 2HB GLU 89 2HB GLU 89 1.986 -9.373 0.329 665 1HG GLU 89 1HG GLU 89 3.464 -11.104 0.262 666 2HG GLU 89 2HG GLU 89 3.084 -11.343 1.956 667 H ALA 90 H ALA 90 2.871 -10.281 4.131 668 HA ALA 90 HA ALA 90 1.785 -12.924 4.695 669 1HB ALA 90 1HB ALA 90 3.890 -13.117 6.059 670 2HB ALA 90 2HB ALA 90 4.180 -12.781 4.335 671 3HB ALA 90 3HB ALA 90 4.326 -11.473 5.534 672 H LYS 91 H LYS 91 1.600 -9.647 5.778 673 HA LYS 91 HA LYS 91 0.650 -10.573 8.399 674 1HB LYS 91 1HB LYS 91 2.177 -8.152 7.533 675 2HB LYS 91 2HB LYS 91 1.029 -7.972 8.845 676 1HG LYS 91 1HG LYS 91 2.486 -10.406 9.324 677 2HG LYS 91 2HG LYS 91 3.662 -9.175 8.906 678 1HD LYS 91 1HD LYS 91 3.500 -8.434 11.046 679 2HD LYS 91 2HD LYS 91 1.910 -7.823 10.633 680 1HE LYS 91 1HE LYS 91 1.414 -10.538 11.087 681 2HE LYS 91 2HE LYS 91 2.652 -10.175 12.273 682 1HZ LYS 91 1HZ LYS 91 0.926 -9.417 13.427 683 2HZ LYS 91 2HZ LYS 91 1.048 -8.072 12.509 684 3HZ LYS 91 3HZ LYS 91 -0.042 -9.226 12.125 685 H TYR 92 H TYR 92 0.143 -7.738 6.178 686 HA TYR 92 HA TYR 92 -2.552 -7.461 6.992 687 1HB TYR 92 1HB TYR 92 -0.771 -6.507 4.675 688 2HB TYR 92 2HB TYR 92 -2.434 -5.971 4.807 689 HD1 TYR 92 1HD TYR 92 -2.635 -5.616 7.789 690 HD2 TYR 92 2HD TYR 92 0.450 -4.527 5.031 691 HE1 TYR 92 1HE TYR 92 -1.901 -3.739 9.339 692 HE2 TYR 92 2HE TYR 92 1.174 -2.654 6.591 693 HH TYR 92 HH TYR 92 -0.644 -1.974 9.555 694 HA PRO 93 HA PRO 93 -4.382 -10.329 4.298 695 1HB PRO 93 1HB PRO 93 -6.997 -9.590 4.585 696 2HB PRO 93 2HB PRO 93 -6.164 -10.629 5.724 697 1HG PRO 93 1HG PRO 93 -6.901 -7.780 6.009 698 2HG PRO 93 2HG PRO 93 -6.467 -8.932 7.257 699 1HD PRO 93 1HD PRO 93 -4.804 -6.855 6.185 700 2HD PRO 93 2HD PRO 93 -4.334 -8.079 7.347 701 H VAL 94 H VAL 94 -4.808 -10.622 2.160 702 HA VAL 94 HA VAL 94 -4.871 -8.113 0.695 703 HB VAL 94 HB VAL 94 -4.590 -10.962 -0.280 704 1HG1 VAL 94 1HG1 VAL 94 -4.729 -10.091 -2.327 705 2HG1 VAL 94 2HG1 VAL 94 -4.935 -8.459 -1.647 706 3HG1 VAL 94 3HG1 VAL 94 -3.302 -9.085 -1.980 707 1HG2 VAL 94 1HG2 VAL 94 -2.272 -9.069 -0.089 708 2HG2 VAL 94 2HG2 VAL 94 -2.812 -9.921 1.377 709 3HG2 VAL 94 3HG2 VAL 94 -2.301 -10.848 -0.054 710 H VAL 95 H VAL 95 -6.847 -7.224 0.370 711 HA VAL 95 HA VAL 95 -9.148 -8.983 0.230 712 HB VAL 95 HB VAL 95 -10.426 -6.929 0.339 713 1HG1 VAL 95 1HG1 VAL 95 -10.101 -7.363 2.524 714 2HG1 VAL 95 2HG1 VAL 95 -8.354 -7.628 2.313 715 3HG1 VAL 95 3HG1 VAL 95 -8.990 -5.973 2.477 716 1HG2 VAL 95 1HG2 VAL 95 -8.554 -5.670 -1.028 717 2HG2 VAL 95 2HG2 VAL 95 -9.597 -4.788 0.114 718 3HG2 VAL 95 3HG2 VAL 95 -7.948 -5.256 0.594 719 H GLY 96 H GLY 96 -6.777 -7.861 -1.879 720 1HA GLY 96 1HA GLY 96 -7.838 -8.850 -4.178 721 2HA GLY 96 2HA GLY 96 -8.449 -7.209 -4.127 722 H ARG 97 H ARG 97 -6.980 -7.341 -6.220 723 HA ARG 97 HA ARG 97 -4.351 -6.423 -5.375 724 1HB ARG 97 1HB ARG 97 -3.326 -7.491 -7.284 725 2HB ARG 97 2HB ARG 97 -4.361 -8.702 -6.552 726 1HG ARG 97 1HG ARG 97 -5.224 -8.962 -8.649 727 2HG ARG 97 2HG ARG 97 -6.130 -7.503 -8.301 728 1HD ARG 97 1HD ARG 97 -4.493 -6.104 -9.420 729 2HD ARG 97 2HD ARG 97 -3.329 -7.411 -9.504 730 HE ARG 97 HE ARG 97 -5.795 -8.139 -10.845 731 1HH1 ARG 97 2HH2 ARG 97 -2.848 -6.256 -11.235 732 2HH1 ARG 97 1HH2 ARG 97 -2.870 -6.342 -12.964 733 1HH2 ARG 97 2HH1 ARG 97 -5.825 -8.252 -13.127 734 2HH2 ARG 97 1HH1 ARG 97 -4.575 -7.485 -14.048 735 H VAL 98 H VAL 98 -3.644 -4.471 -6.323 736 HA VAL 98 HA VAL 98 -5.561 -2.782 -7.413 737 HB VAL 98 HB VAL 98 -2.544 -2.720 -7.356 738 1HG1 VAL 98 1HG1 VAL 98 -3.067 -1.327 -9.197 739 2HG1 VAL 98 2HG1 VAL 98 -4.496 -0.647 -8.383 740 3HG1 VAL 98 3HG1 VAL 98 -2.863 -0.226 -7.813 741 1HG2 VAL 98 1HG2 VAL 98 -3.158 -0.813 -5.683 742 2HG2 VAL 98 2HG2 VAL 98 -4.748 -1.612 -5.628 743 3HG2 VAL 98 3HG2 VAL 98 -3.284 -2.511 -5.161 744 H VAL 99 H VAL 99 -6.408 -2.581 -9.424 745 HA VAL 99 HA VAL 99 -5.009 -4.016 -11.568 746 HB VAL 99 HB VAL 99 -7.501 -3.555 -12.523 747 1HG1 VAL 99 1HG1 VAL 99 -6.669 -5.903 -10.784 748 2HG1 VAL 99 2HG1 VAL 99 -7.979 -5.898 -11.989 749 3HG1 VAL 99 3HG1 VAL 99 -6.289 -5.698 -12.511 750 1HG2 VAL 99 1HG2 VAL 99 -8.328 -2.522 -10.487 751 2HG2 VAL 99 2HG2 VAL 99 -9.114 -4.103 -10.714 752 3HG2 VAL 99 3HG2 VAL 99 -7.803 -3.923 -9.523 753 H SER 100 H SER 100 -6.998 -1.058 -10.866 754 HA SER 100 HA SER 100 -7.062 0.897 -11.816 755 1HB SER 100 1HB SER 100 -4.784 0.991 -10.774 756 2HB SER 100 2HB SER 100 -4.081 0.445 -12.284 757 HG SER 100 HG SER 100 -4.851 2.371 -13.319 Start of MODEL 5 1 1H GLY -1 H GLY -1 -9.507 -13.799 -11.857 2 1HA GLY -1 1HA GLY -1 -7.537 -13.348 -9.803 3 2HA GLY -1 2HA GLY -1 -8.263 -12.167 -10.875 4 HA PRO 0 HA PRO 0 -10.195 -11.994 -6.657 5 1HB PRO 0 1HB PRO 0 -8.833 -9.922 -5.510 6 2HB PRO 0 2HB PRO 0 -8.453 -11.605 -5.203 7 1HG PRO 0 1HG PRO 0 -6.996 -9.651 -6.876 8 2HG PRO 0 2HG PRO 0 -6.428 -11.174 -6.220 9 1HD PRO 0 1HD PRO 0 -7.218 -10.660 -8.929 10 2HD PRO 0 2HD PRO 0 -6.761 -12.208 -8.246 11 H MET 1 H MET 1 -10.748 -9.537 -5.482 12 HA MET 1 HA MET 1 -12.680 -8.664 -7.285 13 1HB MET 1 1HB MET 1 -11.489 -7.481 -4.723 14 2HB MET 1 2HB MET 1 -12.841 -6.728 -5.546 15 1HG MET 1 1HG MET 1 -13.629 -9.417 -5.373 16 2HG MET 1 2HG MET 1 -12.793 -9.153 -3.855 17 1HE MET 1 1HE MET 1 -14.538 -9.378 -2.318 18 2HE MET 1 2HE MET 1 -13.908 -7.793 -1.811 19 3HE MET 1 3HE MET 1 -15.665 -8.069 -1.888 20 H GLU 2 H GLU 2 -9.353 -7.593 -6.561 21 HA GLU 2 HA GLU 2 -8.049 -6.108 -7.460 22 1HB GLU 2 1HB GLU 2 -9.923 -6.402 -9.847 23 2HB GLU 2 2HB GLU 2 -8.392 -5.551 -9.913 24 1HG GLU 2 1HG GLU 2 -7.188 -7.488 -9.993 25 2HG GLU 2 2HG GLU 2 -8.105 -8.216 -8.690 26 H PHE 3 H PHE 3 -7.964 -4.083 -6.598 27 HA PHE 3 HA PHE 3 -10.321 -2.383 -6.988 28 1HB PHE 3 1HB PHE 3 -8.057 -2.549 -4.919 29 2HB PHE 3 2HB PHE 3 -9.152 -1.183 -4.968 30 HD1 PHE 3 1HD PHE 3 -11.304 -1.312 -3.996 31 HD2 PHE 3 2HD PHE 3 -8.990 -4.841 -4.444 32 HE1 PHE 3 1HE PHE 3 -12.927 -2.560 -2.545 33 HE2 PHE 3 2HE PHE 3 -10.613 -6.089 -2.993 34 HZ PHE 3 HZ PHE 3 -12.563 -4.934 -2.060 35 H THR 4 H THR 4 -10.130 -0.494 -8.127 36 HA THR 4 HA THR 4 -7.637 0.027 -9.440 37 HB THR 4 HB THR 4 -8.996 1.764 -10.574 38 HG1 THR 4 1HG THR 4 -11.133 2.146 -9.641 39 1HG2 THR 4 1HG2 THR 4 -10.167 0.188 -11.742 40 2HG2 THR 4 2HG2 THR 4 -9.724 -0.999 -10.492 41 3HG2 THR 4 3HG2 THR 4 -11.244 -0.083 -10.351 42 H ALA 5 H ALA 5 -6.473 2.069 -9.408 43 HA ALA 5 HA ALA 5 -5.700 2.787 -6.862 44 1HB ALA 5 1HB ALA 5 -5.530 4.376 -9.456 45 2HB ALA 5 2HB ALA 5 -4.544 4.650 -8.000 46 3HB ALA 5 3HB ALA 5 -4.375 3.133 -8.916 47 H GLU 6 H GLU 6 -8.359 3.969 -8.912 48 HA GLU 6 HA GLU 6 -8.786 6.304 -7.400 49 1HB GLU 6 1HB GLU 6 -9.893 5.029 -9.751 50 2HB GLU 6 2HB GLU 6 -11.212 5.493 -8.694 51 1HG GLU 6 1HG GLU 6 -10.825 7.747 -8.968 52 2HG GLU 6 2HG GLU 6 -9.083 7.558 -8.964 53 H GLN 7 H GLN 7 -10.272 3.004 -7.459 54 HA GLN 7 HA GLN 7 -12.104 3.647 -5.416 55 1HB GLN 7 1HB GLN 7 -11.268 1.171 -6.897 56 2HB GLN 7 2HB GLN 7 -12.098 0.946 -5.371 57 1HG GLN 7 1HG GLN 7 -14.047 1.258 -6.493 58 2HG GLN 7 2HG GLN 7 -13.609 2.949 -6.635 59 1HE2 GLN 7 1HE2 GLN 7 -13.595 -0.187 -8.175 60 2HE2 GLN 7 2HE2 GLN 7 -13.328 0.337 -9.804 61 H LEU 8 H LEU 8 -8.812 2.268 -5.572 62 HA LEU 8 HA LEU 8 -8.772 1.315 -2.917 63 1HB LEU 8 1HB LEU 8 -7.224 0.334 -4.302 64 2HB LEU 8 2HB LEU 8 -6.769 1.845 -5.065 65 HG LEU 8 HG LEU 8 -5.905 2.328 -2.539 66 1HD1 LEU 8 1HD1 LEU 8 -5.312 0.519 -1.329 67 2HD1 LEU 8 2HD1 LEU 8 -6.638 -0.251 -2.233 68 3HD1 LEU 8 3HD1 LEU 8 -4.953 -0.468 -2.766 69 1HD2 LEU 8 1HD2 LEU 8 -3.651 1.746 -3.359 70 2HD2 LEU 8 2HD2 LEU 8 -4.389 0.908 -4.746 71 3HD2 LEU 8 3HD2 LEU 8 -4.601 2.665 -4.552 72 H SER 9 H SER 9 -8.232 4.474 -4.459 73 HA SER 9 HA SER 9 -6.951 5.591 -2.216 74 1HB SER 9 1HB SER 9 -6.648 6.553 -4.442 75 2HB SER 9 2HB SER 9 -8.369 6.840 -4.607 76 HG SER 9 HG SER 9 -6.448 8.407 -3.399 77 H GLN 10 H GLN 10 -10.021 4.380 -2.516 78 HA GLN 10 HA GLN 10 -11.299 6.552 -1.097 79 1HB GLN 10 1HB GLN 10 -12.629 3.939 -1.867 80 2HB GLN 10 2HB GLN 10 -13.372 5.507 -1.620 81 1HG GLN 10 1HG GLN 10 -12.095 6.367 -3.643 82 2HG GLN 10 2HG GLN 10 -11.513 4.737 -3.918 83 1HE2 GLN 10 1HE2 GLN 10 -13.493 3.086 -3.560 84 2HE2 GLN 10 2HE2 GLN 10 -14.860 3.405 -4.575 85 H TYR 11 H TYR 11 -9.133 4.513 -0.089 86 HA TYR 11 HA TYR 11 -10.576 3.897 2.385 87 1HB TYR 11 1HB TYR 11 -8.541 2.098 0.940 88 2HB TYR 11 2HB TYR 11 -9.516 1.649 2.324 89 HD1 TYR 11 1HD TYR 11 -12.196 2.028 1.831 90 HD2 TYR 11 2HD TYR 11 -9.181 1.175 -1.082 91 HE1 TYR 11 1HE TYR 11 -13.963 1.078 0.270 92 HE2 TYR 11 2HE TYR 11 -10.958 0.227 -2.633 93 HH TYR 11 HH TYR 11 -14.089 0.839 -2.371 94 H ASN 12 H ASN 12 -8.878 6.156 1.819 95 HA ASN 12 HA ASN 12 -6.308 5.432 2.861 96 1HB ASN 12 1HB ASN 12 -5.617 7.528 2.109 97 2HB ASN 12 2HB ASN 12 -7.032 7.345 1.091 98 1HD2 ASN 12 1HD2 ASN 12 -9.152 7.903 2.408 99 2HD2 ASN 12 2HD2 ASN 12 -9.143 9.457 3.173 100 H GLY 13 H GLY 13 -9.092 5.375 4.354 101 1HA GLY 13 1HA GLY 13 -9.752 5.647 6.490 102 2HA GLY 13 2HA GLY 13 -8.131 6.175 6.896 103 H THR 14 H THR 14 -11.401 7.140 6.484 104 HA THR 14 HA THR 14 -10.988 9.704 7.457 105 HB THR 14 HB THR 14 -10.100 9.601 4.841 106 HG1 THR 14 1HG THR 14 -10.186 11.873 5.203 107 1HG2 THR 14 1HG2 THR 14 -11.760 10.701 3.437 108 2HG2 THR 14 2HG2 THR 14 -12.527 9.228 4.076 109 3HG2 THR 14 3HG2 THR 14 -12.909 10.812 4.792 110 H ASP 15 H ASP 15 -12.965 7.580 5.339 111 HA ASP 15 HA ASP 15 -15.347 8.921 6.023 112 1HB ASP 15 1HB ASP 15 -14.517 6.912 4.195 113 2HB ASP 15 2HB ASP 15 -15.700 6.123 5.219 114 H GLU 16 H GLU 16 -17.008 6.511 6.525 115 HA GLU 16 HA GLU 16 -16.118 5.970 9.247 116 1HB GLU 16 1HB GLU 16 -18.759 6.604 8.044 117 2HB GLU 16 2HB GLU 16 -18.797 5.288 9.200 118 1HG GLU 16 1HG GLU 16 -19.020 7.034 10.697 119 2HG GLU 16 2HG GLU 16 -17.269 6.990 10.635 120 H SER 17 H SER 17 -17.994 4.509 6.492 121 HA SER 17 HA SER 17 -17.508 1.906 7.565 122 1HB SER 17 1HB SER 17 -19.083 3.063 5.280 123 2HB SER 17 2HB SER 17 -18.623 1.376 5.166 124 HG SER 17 HG SER 17 -20.723 1.734 6.208 125 H LYS 18 H LYS 18 -16.586 3.845 4.643 126 HA LYS 18 HA LYS 18 -15.201 2.117 3.172 127 1HB LYS 18 1HB LYS 18 -14.816 4.997 3.842 128 2HB LYS 18 2HB LYS 18 -13.507 4.196 2.997 129 1HG LYS 18 1HG LYS 18 -16.428 4.269 2.100 130 2HG LYS 18 2HG LYS 18 -15.118 5.197 1.396 131 1HD LYS 18 1HD LYS 18 -14.506 3.456 0.077 132 2HD LYS 18 2HD LYS 18 -14.357 2.393 1.463 133 1HE LYS 18 1HE LYS 18 -17.162 3.014 0.631 134 2HE LYS 18 2HE LYS 18 -16.233 2.074 -0.520 135 1HZ LYS 18 1HZ LYS 18 -16.850 1.405 2.258 136 2HZ LYS 18 2HZ LYS 18 -17.163 0.538 0.911 137 3HZ LYS 18 3HZ LYS 18 -15.632 0.661 1.464 138 HA PRO 19 HA PRO 19 -12.252 0.476 5.937 139 1HB PRO 19 1HB PRO 19 -11.273 -1.464 4.281 140 2HB PRO 19 2HB PRO 19 -12.699 -1.683 5.275 141 1HG PRO 19 1HG PRO 19 -12.524 -1.228 2.360 142 2HG PRO 19 2HG PRO 19 -13.865 -1.862 3.293 143 1HD PRO 19 1HD PRO 19 -13.623 0.786 2.217 144 2HD PRO 19 2HD PRO 19 -14.908 0.186 3.248 145 H ILE 20 H ILE 20 -9.786 -0.493 5.438 146 HA ILE 20 HA ILE 20 -8.545 1.778 4.047 147 HB ILE 20 HB ILE 20 -7.557 0.427 6.561 148 1HG1 ILE 20 1HG1 ILE 20 -8.108 3.199 6.937 149 2HG1 ILE 20 2HG1 ILE 20 -9.532 2.475 6.217 150 1HG2 ILE 20 1HG2 ILE 20 -6.323 2.941 6.084 151 2HG2 ILE 20 2HG2 ILE 20 -5.583 1.322 6.103 152 3HG2 ILE 20 3HG2 ILE 20 -6.217 1.993 4.581 153 1HD1 ILE 20 1HD1 ILE 20 -9.665 0.788 7.962 154 2HD1 ILE 20 2HD1 ILE 20 -8.079 1.267 8.612 155 3HD1 ILE 20 3HD1 ILE 20 -9.469 2.371 8.752 156 H TYR 21 H TYR 21 -7.528 1.107 2.244 157 HA TYR 21 HA TYR 21 -6.272 -1.551 2.345 158 1HB TYR 21 1HB TYR 21 -7.815 -0.064 0.129 159 2HB TYR 21 2HB TYR 21 -6.946 -1.559 -0.156 160 HD1 TYR 21 1HD TYR 21 -7.827 -2.624 2.747 161 HD2 TYR 21 2HD TYR 21 -9.895 -1.118 -0.682 162 HE1 TYR 21 1HE TYR 21 -9.896 -3.948 3.404 163 HE2 TYR 21 2HE TYR 21 -11.956 -2.447 -0.014 164 HH TYR 21 HH TYR 21 -11.897 -4.546 2.853 165 H VAL 22 H VAL 22 -4.166 -1.649 1.656 166 HA VAL 22 HA VAL 22 -3.094 0.841 0.522 167 HB VAL 22 HB VAL 22 -1.579 -1.258 2.072 168 1HG1 VAL 22 1HG1 VAL 22 -0.601 0.696 0.484 169 2HG1 VAL 22 2HG1 VAL 22 -0.752 1.597 2.011 170 3HG1 VAL 22 3HG1 VAL 22 0.228 0.113 1.947 171 1HG2 VAL 22 1HG2 VAL 22 -3.499 -0.188 3.378 172 2HG2 VAL 22 2HG2 VAL 22 -1.870 -0.044 4.082 173 3HG2 VAL 22 3HG2 VAL 22 -2.600 1.342 3.238 174 H ALA 23 H ALA 23 -1.524 0.658 -1.189 175 HA ALA 23 HA ALA 23 -1.769 -1.901 -2.610 176 1HB ALA 23 1HB ALA 23 -1.285 -0.516 -4.636 177 2HB ALA 23 2HB ALA 23 -2.772 -0.020 -3.793 178 3HB ALA 23 3HB ALA 23 -1.281 0.935 -3.605 179 H ILE 24 H ILE 24 0.066 -3.050 -3.132 180 HA ILE 24 HA ILE 24 2.630 -1.709 -2.800 181 HB ILE 24 HB ILE 24 1.617 -3.996 -1.162 182 1HG1 ILE 24 1HG1 ILE 24 3.256 -1.513 -0.587 183 2HG1 ILE 24 2HG1 ILE 24 1.580 -1.795 -0.158 184 1HG2 ILE 24 1HG2 ILE 24 4.315 -4.034 -0.673 185 2HG2 ILE 24 2HG2 ILE 24 3.425 -5.213 -1.665 186 3HG2 ILE 24 3HG2 ILE 24 4.256 -3.843 -2.441 187 1HD1 ILE 24 1HD1 ILE 24 4.075 -3.028 1.016 188 2HD1 ILE 24 2HD1 ILE 24 2.660 -2.339 1.847 189 3HD1 ILE 24 3HD1 ILE 24 2.548 -3.940 1.077 190 H LYS 25 H LYS 25 3.529 -1.927 -4.777 191 HA LYS 25 HA LYS 25 4.274 -2.856 -6.635 192 1HB LYS 25 1HB LYS 25 3.826 -5.514 -5.244 193 2HB LYS 25 2HB LYS 25 4.799 -5.251 -6.677 194 1HG LYS 25 1HG LYS 25 6.565 -4.464 -5.467 195 2HG LYS 25 2HG LYS 25 5.548 -3.397 -4.520 196 1HD LYS 25 1HD LYS 25 6.299 -4.884 -2.872 197 2HD LYS 25 2HD LYS 25 4.765 -5.610 -3.309 198 1HE LYS 25 1HE LYS 25 7.463 -6.427 -4.490 199 2HE LYS 25 2HE LYS 25 6.649 -7.279 -3.193 200 1HZ LYS 25 1HZ LYS 25 4.717 -7.349 -4.846 201 2HZ LYS 25 2HZ LYS 25 5.847 -7.039 -5.983 202 3HZ LYS 25 3HZ LYS 25 5.966 -8.380 -5.059 203 H GLY 26 H GLY 26 1.260 -2.496 -5.884 204 1HA GLY 26 1HA GLY 26 -0.427 -2.371 -7.497 205 2HA GLY 26 2HA GLY 26 0.286 -3.712 -8.371 206 H ARG 27 H ARG 27 0.246 -4.160 -4.922 207 HA ARG 27 HA ARG 27 -2.079 -5.877 -5.266 208 1HB ARG 27 1HB ARG 27 0.332 -6.816 -4.668 209 2HB ARG 27 2HB ARG 27 -0.027 -6.235 -3.054 210 1HG ARG 27 1HG ARG 27 -2.205 -7.567 -3.145 211 2HG ARG 27 2HG ARG 27 -1.659 -8.252 -4.663 212 1HD ARG 27 1HD ARG 27 0.409 -8.428 -2.561 213 2HD ARG 27 2HD ARG 27 -1.074 -9.238 -2.096 214 HE ARG 27 HE ARG 27 0.795 -10.145 -4.086 215 1HH1 ARG 27 2HH2 ARG 27 -2.663 -9.974 -3.455 216 2HH1 ARG 27 1HH2 ARG 27 -3.039 -11.355 -4.431 217 1HH2 ARG 27 2HH1 ARG 27 0.300 -11.967 -5.374 218 2HH2 ARG 27 1HH1 ARG 27 -1.342 -12.496 -5.530 219 H VAL 28 H VAL 28 -3.858 -5.480 -3.950 220 HA VAL 28 HA VAL 28 -3.654 -3.245 -2.132 221 HB VAL 28 HB VAL 28 -5.907 -4.929 -3.216 222 1HG1 VAL 28 1HG1 VAL 28 -7.233 -2.921 -2.003 223 2HG1 VAL 28 2HG1 VAL 28 -6.926 -4.494 -1.230 224 3HG1 VAL 28 3HG1 VAL 28 -5.876 -3.104 -0.865 225 1HG2 VAL 28 1HG2 VAL 28 -6.457 -2.304 -3.780 226 2HG2 VAL 28 2HG2 VAL 28 -4.679 -2.325 -3.860 227 3HG2 VAL 28 3HG2 VAL 28 -5.629 -3.433 -4.879 228 H PHE 29 H PHE 29 -3.280 -3.431 0.014 229 HA PHE 29 HA PHE 29 -3.786 -6.070 1.199 230 1HB PHE 29 1HB PHE 29 -1.649 -3.905 1.574 231 2HB PHE 29 2HB PHE 29 -1.919 -5.103 2.824 232 HD1 PHE 29 1HD PHE 29 0.042 -4.337 0.078 233 HD2 PHE 29 2HD PHE 29 -1.984 -7.621 1.845 234 HE1 PHE 29 1HE PHE 29 1.578 -5.925 -1.112 235 HE2 PHE 29 2HE PHE 29 -0.448 -9.209 0.654 236 HZ PHE 29 HZ PHE 29 1.315 -8.343 -0.810 237 H ASP 30 H ASP 30 -4.498 -6.095 3.450 238 HA ASP 30 HA ASP 30 -6.060 -3.727 4.009 239 1HB ASP 30 1HB ASP 30 -7.512 -5.510 4.265 240 2HB ASP 30 2HB ASP 30 -6.227 -6.637 4.653 241 H VAL 31 H VAL 31 -5.485 -2.368 5.732 242 HA VAL 31 HA VAL 31 -3.597 -3.453 7.700 243 HB VAL 31 HB VAL 31 -2.358 -1.408 7.668 244 1HG1 VAL 31 1HG1 VAL 31 -1.117 -1.912 5.840 245 2HG1 VAL 31 2HG1 VAL 31 -2.249 -3.279 5.706 246 3HG1 VAL 31 3HG1 VAL 31 -2.507 -1.811 4.733 247 1HG2 VAL 31 1HG2 VAL 31 -3.050 0.157 5.569 248 2HG2 VAL 31 2HG2 VAL 31 -4.656 -0.429 6.064 249 3HG2 VAL 31 3HG2 VAL 31 -3.621 0.425 7.233 250 H THR 32 H THR 32 -6.683 -2.624 7.227 251 HA THR 32 HA THR 32 -7.300 -0.554 8.936 252 HB THR 32 HB THR 32 -9.176 -1.299 7.804 253 HG1 THR 32 1HG THR 32 -10.437 -2.406 9.380 254 1HG2 THR 32 1HG2 THR 32 -9.588 -3.935 7.721 255 2HG2 THR 32 2HG2 THR 32 -8.458 -3.183 6.569 256 3HG2 THR 32 3HG2 THR 32 -7.834 -4.011 8.016 257 H THR 33 H THR 33 -6.062 -3.758 9.691 258 HA THR 33 HA THR 33 -6.989 -4.025 12.293 259 HB THR 33 HB THR 33 -5.912 -5.887 11.236 260 HG1 THR 33 1HG THR 33 -4.413 -6.272 12.907 261 1HG2 THR 33 1HG2 THR 33 -3.635 -3.915 10.733 262 2HG2 THR 33 2HG2 THR 33 -3.380 -5.676 10.686 263 3HG2 THR 33 3HG2 THR 33 -4.503 -4.908 9.538 264 H GLY 34 H GLY 34 -5.150 -1.484 11.014 265 1HA GLY 34 1HA GLY 34 -4.586 -0.527 13.702 266 2HA GLY 34 2HA GLY 34 -3.188 -0.803 12.682 267 H LYS 35 H LYS 35 -6.523 0.422 11.916 268 HA LYS 35 HA LYS 35 -5.725 2.249 10.036 269 1HB LYS 35 1HB LYS 35 -7.916 2.761 9.927 270 2HB LYS 35 2HB LYS 35 -8.097 1.378 10.988 271 1HG LYS 35 1HG LYS 35 -7.909 2.946 12.976 272 2HG LYS 35 2HG LYS 35 -7.876 4.297 11.861 273 1HD LYS 35 1HD LYS 35 -10.129 2.281 11.676 274 2HD LYS 35 2HD LYS 35 -10.175 3.502 12.931 275 1HE LYS 35 1HE LYS 35 -9.494 4.569 10.238 276 2HE LYS 35 2HE LYS 35 -11.092 3.857 10.336 277 1HZ LYS 35 1HZ LYS 35 -10.170 5.741 12.372 278 2HZ LYS 35 2HZ LYS 35 -10.830 6.269 10.974 279 3HZ LYS 35 3HZ LYS 35 -11.703 5.331 11.987 280 H SER 36 H SER 36 -5.366 2.335 13.519 281 HA SER 36 HA SER 36 -5.333 5.044 13.933 282 1HB SER 36 1HB SER 36 -4.308 2.627 15.296 283 2HB SER 36 2HB SER 36 -3.372 4.064 15.655 284 HG SER 36 HG SER 36 -5.362 5.140 16.283 285 H PHE 37 H PHE 37 -3.195 3.047 12.073 286 HA PHE 37 HA PHE 37 -1.100 5.093 12.196 287 1HB PHE 37 1HB PHE 37 -1.162 2.209 11.118 288 2HB PHE 37 2HB PHE 37 0.273 3.213 11.182 289 HD1 PHE 37 1HD PHE 37 -1.111 0.526 12.677 290 HD2 PHE 37 2HD PHE 37 0.435 4.327 13.759 291 HE1 PHE 37 1HE PHE 37 -0.615 -0.332 14.983 292 HE2 PHE 37 2HE PHE 37 0.931 3.468 16.065 293 HZ PHE 37 HZ PHE 37 0.400 1.149 16.649 294 H TYR 38 H TYR 38 -3.109 3.069 9.972 295 HA TYR 38 HA TYR 38 -2.169 4.641 7.713 296 1HB TYR 38 1HB TYR 38 -3.406 2.020 8.355 297 2HB TYR 38 2HB TYR 38 -4.267 2.804 7.045 298 HD1 TYR 38 1HD TYR 38 -1.546 0.708 7.859 299 HD2 TYR 38 2HD TYR 38 -2.736 3.748 5.093 300 HE1 TYR 38 1HE TYR 38 0.221 -0.088 6.213 301 HE2 TYR 38 2HE TYR 38 -0.965 2.942 3.457 302 HH TYR 38 HH TYR 38 1.285 1.708 3.705 303 H GLY 39 H GLY 39 -5.117 4.032 9.678 304 1HA GLY 39 1HA GLY 39 -7.088 5.156 8.197 305 2HA GLY 39 2HA GLY 39 -6.960 5.310 9.938 306 H SER 40 H SER 40 -8.183 7.384 8.690 307 HA SER 40 HA SER 40 -6.943 9.348 7.490 308 1HB SER 40 1HB SER 40 -9.248 9.128 9.020 309 2HB SER 40 2HB SER 40 -8.354 10.353 9.898 310 HG SER 40 HG SER 40 -8.041 11.337 7.623 311 H GLY 41 H GLY 41 -5.184 10.695 7.785 312 1HA GLY 41 1HA GLY 41 -3.236 11.373 8.720 313 2HA GLY 41 2HA GLY 41 -4.296 11.949 9.991 314 H GLY 42 H GLY 42 -2.145 9.302 8.940 315 1HA GLY 42 1HA GLY 42 -1.693 8.606 11.735 316 2HA GLY 42 2HA GLY 42 -2.346 7.343 10.712 317 H ASP 43 H ASP 43 -0.038 6.556 11.619 318 HA ASP 43 HA ASP 43 2.310 7.450 10.826 319 1HB ASP 43 1HB ASP 43 1.223 4.938 11.602 320 2HB ASP 43 2HB ASP 43 2.153 4.602 10.156 321 H TYR 44 H TYR 44 0.079 5.362 8.843 322 HA TYR 44 HA TYR 44 1.690 5.990 6.475 323 1HB TYR 44 1HB TYR 44 -0.676 4.072 6.661 324 2HB TYR 44 2HB TYR 44 0.750 3.922 5.653 325 HD1 TYR 44 1HD TYR 44 3.042 3.710 7.089 326 HD2 TYR 44 2HD TYR 44 -0.863 2.616 8.453 327 HE1 TYR 44 1HE TYR 44 4.072 2.130 8.794 328 HE2 TYR 44 2HE TYR 44 0.181 1.040 10.153 329 HH TYR 44 HH TYR 44 3.569 0.302 10.084 330 H SER 45 H SER 45 0.480 8.253 7.028 331 HA SER 45 HA SER 45 -2.217 8.321 6.195 332 1HB SER 45 1HB SER 45 -0.757 9.973 7.710 333 2HB SER 45 2HB SER 45 -0.453 10.768 6.178 334 HG SER 45 HG SER 45 -2.498 11.467 6.077 335 H MET 46 H MET 46 0.983 8.717 4.671 336 HA MET 46 HA MET 46 -0.141 9.805 2.283 337 1HB MET 46 1HB MET 46 2.291 9.471 1.481 338 2HB MET 46 2HB MET 46 2.108 10.503 2.885 339 1HG MET 46 1HG MET 46 2.420 7.608 3.527 340 2HG MET 46 2HG MET 46 3.814 8.328 2.747 341 1HE MET 46 1HE MET 46 4.092 10.925 3.247 342 2HE MET 46 2HE MET 46 2.872 11.602 4.351 343 3HE MET 46 3HE MET 46 4.554 11.405 4.897 344 H PHE 47 H PHE 47 0.522 6.637 3.631 345 HA PHE 47 HA PHE 47 0.627 5.350 1.057 346 1HB PHE 47 1HB PHE 47 0.303 4.283 3.926 347 2HB PHE 47 2HB PHE 47 0.779 3.320 2.542 348 HD1 PHE 47 1HD PHE 47 2.479 6.046 1.711 349 HD2 PHE 47 2HD PHE 47 2.424 3.243 4.897 350 HE1 PHE 47 1HE PHE 47 4.891 6.546 2.193 351 HE2 PHE 47 2HE PHE 47 4.837 3.743 5.378 352 HZ PHE 47 HZ PHE 47 6.041 5.389 4.021 353 H ALA 48 H ALA 48 -1.730 6.018 3.657 354 HA ALA 48 HA ALA 48 -3.655 4.155 3.086 355 1HB ALA 48 1HB ALA 48 -5.045 5.488 4.391 356 2HB ALA 48 2HB ALA 48 -3.440 6.080 4.884 357 3HB ALA 48 3HB ALA 48 -4.408 7.004 3.710 358 H GLY 49 H GLY 49 -4.967 3.733 1.373 359 1HA GLY 49 1HA GLY 49 -5.948 3.940 -0.637 360 2HA GLY 49 2HA GLY 49 -6.181 5.633 -0.250 361 H LYS 50 H LYS 50 -2.979 4.022 -0.488 362 HA LYS 50 HA LYS 50 -2.526 4.891 -3.158 363 1HB LYS 50 1HB LYS 50 -1.428 6.532 -0.875 364 2HB LYS 50 2HB LYS 50 -0.600 6.445 -2.417 365 1HG LYS 50 1HG LYS 50 -3.057 6.976 -3.376 366 2HG LYS 50 2HG LYS 50 -3.295 7.641 -1.772 367 1HD LYS 50 1HD LYS 50 -0.822 8.698 -2.420 368 2HD LYS 50 2HD LYS 50 -1.580 8.632 -3.998 369 1HE LYS 50 1HE LYS 50 -3.440 9.646 -1.954 370 2HE LYS 50 2HE LYS 50 -1.979 10.611 -2.026 371 1HZ LYS 50 1HZ LYS 50 -2.489 11.328 -4.060 372 2HZ LYS 50 2HZ LYS 50 -3.084 9.897 -4.575 373 3HZ LYS 50 3HZ LYS 50 -4.018 10.895 -3.682 374 H ASP 51 H ASP 51 -0.490 4.082 -3.981 375 HA ASP 51 HA ASP 51 0.342 1.805 -2.467 376 1HB ASP 51 1HB ASP 51 -0.045 1.699 -4.936 377 2HB ASP 51 2HB ASP 51 1.235 2.869 -5.188 378 H ALA 52 H ALA 52 1.969 2.096 -0.932 379 HA ALA 52 HA ALA 52 3.963 4.178 -1.469 380 1HB ALA 52 1HB ALA 52 2.546 4.290 0.622 381 2HB ALA 52 2HB ALA 52 3.310 2.771 1.148 382 3HB ALA 52 3HB ALA 52 4.300 4.232 0.921 383 H SER 53 H SER 53 4.400 2.067 -3.081 384 HA SER 53 HA SER 53 5.868 0.031 -1.782 385 1HB SER 53 1HB SER 53 5.519 0.829 -4.697 386 2HB SER 53 2HB SER 53 6.532 -0.518 -4.218 387 HG SER 53 HG SER 53 3.734 -0.253 -3.511 388 H ARG 54 H ARG 54 6.662 2.951 -3.774 389 HA ARG 54 HA ARG 54 9.407 2.497 -3.726 390 1HB ARG 54 1HB ARG 54 8.230 5.286 -3.910 391 2HB ARG 54 2HB ARG 54 9.587 4.614 -4.792 392 1HG ARG 54 1HG ARG 54 7.565 2.933 -5.622 393 2HG ARG 54 2HG ARG 54 6.665 4.415 -5.368 394 1HD ARG 54 1HD ARG 54 9.218 4.240 -7.040 395 2HD ARG 54 2HD ARG 54 7.602 4.166 -7.713 396 HE ARG 54 HE ARG 54 7.613 6.490 -6.149 397 1HH1 ARG 54 2HH2 ARG 54 9.476 5.274 -8.876 398 2HH1 ARG 54 1HH2 ARG 54 9.822 6.850 -9.506 399 1HH2 ARG 54 2HH1 ARG 54 8.069 8.569 -6.980 400 2HH2 ARG 54 1HH1 ARG 54 9.017 8.736 -8.421 401 H ALA 55 H ALA 55 7.208 4.623 -1.770 402 HA ALA 55 HA ALA 55 9.189 5.783 -0.197 403 1HB ALA 55 1HB ALA 55 7.413 6.764 0.858 404 2HB ALA 55 2HB ALA 55 6.515 6.103 -0.530 405 3HB ALA 55 3HB ALA 55 6.526 5.230 1.021 406 H LEU 56 H LEU 56 7.506 2.636 -0.029 407 HA LEU 56 HA LEU 56 8.392 2.043 2.601 408 1HB LEU 56 1HB LEU 56 7.098 0.540 0.361 409 2HB LEU 56 2HB LEU 56 7.786 -0.349 1.705 410 HG LEU 56 HG LEU 56 5.753 1.862 2.071 411 1HD1 LEU 56 1HD1 LEU 56 5.244 -0.517 0.759 412 2HD1 LEU 56 2HD1 LEU 56 4.760 -0.860 2.437 413 3HD1 LEU 56 3HD1 LEU 56 4.046 0.520 1.568 414 1HD2 LEU 56 1HD2 LEU 56 7.400 0.634 3.906 415 2HD2 LEU 56 2HD2 LEU 56 5.869 1.468 4.266 416 3HD2 LEU 56 3HD2 LEU 56 5.889 -0.298 4.043 417 H GLY 57 H GLY 57 9.605 1.418 -0.727 418 1HA GLY 57 1HA GLY 57 11.650 -0.365 -0.089 419 2HA GLY 57 2HA GLY 57 11.606 0.717 -1.467 420 H LYS 58 H LYS 58 12.300 3.039 -1.108 421 HA LYS 58 HA LYS 58 14.786 3.100 0.149 422 1HB LYS 58 1HB LYS 58 13.069 5.470 -0.635 423 2HB LYS 58 2HB LYS 58 14.810 5.442 -0.442 424 1HG LYS 58 1HG LYS 58 14.955 4.928 -2.648 425 2HG LYS 58 2HG LYS 58 14.323 3.343 -2.249 426 1HD LYS 58 1HD LYS 58 12.177 3.849 -2.984 427 2HD LYS 58 2HD LYS 58 12.297 5.537 -2.530 428 1HE LYS 58 1HE LYS 58 13.994 4.456 -4.804 429 2HE LYS 58 2HE LYS 58 12.317 4.880 -5.088 430 1HZ LYS 58 1HZ LYS 58 13.062 7.032 -3.850 431 2HZ LYS 58 2HZ LYS 58 14.538 6.604 -4.403 432 3HZ LYS 58 3HZ LYS 58 13.313 6.854 -5.454 433 H MET 59 H MET 59 11.550 3.426 1.394 434 HA MET 59 HA MET 59 10.802 3.694 3.421 435 1HB MET 59 1HB MET 59 13.732 3.842 4.326 436 2HB MET 59 2HB MET 59 12.360 3.515 5.366 437 1HG MET 59 1HG MET 59 12.306 1.308 4.778 438 2HG MET 59 2HG MET 59 12.426 1.674 3.068 439 1HE MET 59 1HE MET 59 15.227 -0.751 4.863 440 2HE MET 59 2HE MET 59 14.704 0.323 6.182 441 3HE MET 59 3HE MET 59 13.494 -0.438 5.121 442 H SER 60 H SER 60 10.669 5.924 1.949 443 HA SER 60 HA SER 60 11.748 8.011 3.676 444 1HB SER 60 1HB SER 60 12.239 7.789 1.047 445 2HB SER 60 2HB SER 60 10.693 8.604 0.916 446 HG SER 60 HG SER 60 12.876 9.876 1.148 447 H LYS 61 H LYS 61 8.913 6.360 2.541 448 HA LYS 61 HA LYS 61 6.736 6.729 2.717 449 1HB LYS 61 1HB LYS 61 5.953 7.366 4.861 450 2HB LYS 61 2HB LYS 61 7.486 6.556 5.112 451 1HG LYS 61 1HG LYS 61 8.634 8.577 5.590 452 2HG LYS 61 2HG LYS 61 7.437 9.567 4.779 453 1HD LYS 61 1HD LYS 61 6.749 9.975 6.942 454 2HD LYS 61 2HD LYS 61 5.830 8.506 6.683 455 1HE LYS 61 1HE LYS 61 7.445 7.155 7.851 456 2HE LYS 61 2HE LYS 61 8.665 8.412 7.788 457 1HZ LYS 61 1HZ LYS 61 7.404 8.129 9.925 458 2HZ LYS 61 2HZ LYS 61 7.526 9.656 9.359 459 3HZ LYS 61 3HZ LYS 61 6.128 8.830 9.185 460 H ASN 62 H ASN 62 8.452 8.712 1.192 461 HA ASN 62 HA ASN 62 7.289 11.231 1.618 462 1HB ASN 62 1HB ASN 62 9.481 11.015 0.514 463 2HB ASN 62 2HB ASN 62 8.795 10.023 -0.758 464 1HD2 ASN 62 1HD2 ASN 62 7.151 12.774 0.660 465 2HD2 ASN 62 2HD2 ASN 62 7.216 13.831 -0.711 466 H GLU 63 H GLU 63 5.391 12.093 0.682 467 HA GLU 63 HA GLU 63 3.550 10.347 -0.414 468 1HB GLU 63 1HB GLU 63 3.323 12.730 0.747 469 2HB GLU 63 2HB GLU 63 3.379 13.323 -0.901 470 1HG GLU 63 1HG GLU 63 1.575 11.212 -1.111 471 2HG GLU 63 2HG GLU 63 1.227 11.828 0.492 472 H GLU 64 H GLU 64 6.275 11.920 -1.830 473 HA GLU 64 HA GLU 64 5.103 11.953 -4.458 474 1HB GLU 64 1HB GLU 64 8.032 12.454 -4.016 475 2HB GLU 64 2HB GLU 64 6.919 13.259 -5.103 476 1HG GLU 64 1HG GLU 64 6.117 13.647 -2.306 477 2HG GLU 64 2HG GLU 64 7.769 14.174 -2.563 478 H ASP 65 H ASP 65 6.968 9.860 -2.373 479 HA ASP 65 HA ASP 65 8.252 8.448 -4.451 480 1HB ASP 65 1HB ASP 65 7.845 8.130 -1.490 481 2HB ASP 65 2HB ASP 65 8.257 6.679 -2.381 482 H VAL 66 H VAL 66 5.219 8.194 -2.536 483 HA VAL 66 HA VAL 66 4.388 5.680 -2.916 484 HB VAL 66 HB VAL 66 2.880 8.282 -3.142 485 1HG1 VAL 66 1HG1 VAL 66 1.350 5.842 -2.458 486 2HG1 VAL 66 2HG1 VAL 66 0.888 7.254 -3.438 487 3HG1 VAL 66 3HG1 VAL 66 1.879 5.960 -4.153 488 1HG2 VAL 66 1HG2 VAL 66 4.057 6.953 -0.976 489 2HG2 VAL 66 2HG2 VAL 66 2.875 8.282 -0.907 490 3HG2 VAL 66 3HG2 VAL 66 2.320 6.592 -0.843 491 H SER 67 H SER 67 4.086 4.308 -4.596 492 HA SER 67 HA SER 67 3.298 5.449 -7.123 493 1HB SER 67 1HB SER 67 5.098 4.618 -8.391 494 2HB SER 67 2HB SER 67 5.890 5.243 -6.958 495 HG SER 67 HG SER 67 5.329 2.502 -7.645 496 HA PRO 68 HA PRO 68 0.969 1.747 -6.718 497 1HB PRO 68 1HB PRO 68 -0.725 2.154 -8.824 498 2HB PRO 68 2HB PRO 68 -1.002 2.823 -7.228 499 1HG PRO 68 1HG PRO 68 -0.062 4.191 -9.675 500 2HG PRO 68 2HG PRO 68 -0.742 4.890 -8.219 501 1HD PRO 68 1HD PRO 68 2.025 4.848 -8.971 502 2HD PRO 68 2HD PRO 68 1.358 5.443 -7.464 503 H SER 69 H SER 69 3.419 2.297 -8.635 504 HA SER 69 HA SER 69 3.248 -0.367 -9.666 505 1HB SER 69 1HB SER 69 2.291 1.504 -11.362 506 2HB SER 69 2HB SER 69 3.996 1.698 -11.719 507 HG SER 69 HG SER 69 2.831 -0.930 -11.665 508 H LEU 70 H LEU 70 5.340 -1.277 -9.976 509 HA LEU 70 HA LEU 70 7.475 0.333 -8.866 510 1HB LEU 70 1HB LEU 70 8.677 -1.952 -9.149 511 2HB LEU 70 2HB LEU 70 7.513 -1.702 -7.863 512 HG LEU 70 HG LEU 70 6.572 -2.873 -10.459 513 1HD1 LEU 70 1HD1 LEU 70 7.724 -4.763 -10.308 514 2HD1 LEU 70 2HD1 LEU 70 8.716 -4.004 -9.039 515 3HD1 LEU 70 3HD1 LEU 70 7.281 -4.959 -8.595 516 1HD2 LEU 70 1HD2 LEU 70 5.688 -3.841 -7.788 517 2HD2 LEU 70 2HD2 LEU 70 5.216 -2.191 -8.259 518 3HD2 LEU 70 3HD2 LEU 70 4.761 -3.573 -9.283 519 H GLU 71 H GLU 71 6.574 1.349 -11.324 520 HA GLU 71 HA GLU 71 8.279 0.280 -13.353 521 1HB GLU 71 1HB GLU 71 6.093 2.300 -13.178 522 2HB GLU 71 2HB GLU 71 7.307 2.625 -14.399 523 1HG GLU 71 1HG GLU 71 6.922 0.518 -15.502 524 2HG GLU 71 2HG GLU 71 6.028 -0.124 -14.139 525 H GLY 72 H GLY 72 9.957 0.900 -11.311 526 1HA GLY 72 1HA GLY 72 11.896 2.495 -12.356 527 2HA GLY 72 2HA GLY 72 10.901 3.615 -11.446 528 H LEU 73 H LEU 73 10.088 1.328 -9.537 529 HA LEU 73 HA LEU 73 11.689 1.871 -7.448 530 1HB LEU 73 1HB LEU 73 9.777 -0.168 -8.176 531 2HB LEU 73 2HB LEU 73 11.040 -0.846 -7.168 532 HG LEU 73 HG LEU 73 10.287 1.604 -5.956 533 1HD1 LEU 73 1HD1 LEU 73 7.834 1.007 -5.510 534 2HD1 LEU 73 2HD1 LEU 73 8.233 1.772 -7.067 535 3HD1 LEU 73 3HD1 LEU 73 7.938 0.018 -6.986 536 1HD2 LEU 73 1HD2 LEU 73 11.143 -0.391 -4.818 537 2HD2 LEU 73 2HD2 LEU 73 9.612 0.170 -4.104 538 3HD2 LEU 73 3HD2 LEU 73 9.626 -1.249 -5.178 539 H THR 74 H THR 74 13.837 1.760 -7.110 540 HA THR 74 HA THR 74 15.447 0.092 -8.819 541 HB THR 74 HB THR 74 17.281 1.225 -7.411 542 HG1 THR 74 1HG THR 74 16.406 2.815 -5.921 543 1HG2 THR 74 1HG2 THR 74 16.782 3.554 -8.203 544 2HG2 THR 74 2HG2 THR 74 16.504 2.358 -9.492 545 3HG2 THR 74 3HG2 THR 74 15.123 3.047 -8.604 546 H GLU 75 H GLU 75 17.474 -0.901 -7.392 547 HA GLU 75 HA GLU 75 16.268 -3.158 -6.245 548 1HB GLU 75 1HB GLU 75 18.917 -2.313 -7.091 549 2HB GLU 75 2HB GLU 75 19.027 -3.085 -5.522 550 1HG GLU 75 1HG GLU 75 17.262 -4.765 -6.873 551 2HG GLU 75 2HG GLU 75 18.342 -4.261 -8.158 552 H LYS 76 H LYS 76 17.897 -0.226 -4.947 553 HA LYS 76 HA LYS 76 18.192 -1.011 -2.328 554 1HB LYS 76 1HB LYS 76 19.071 1.027 -2.270 555 2HB LYS 76 2HB LYS 76 18.411 1.372 -3.856 556 1HG LYS 76 1HG LYS 76 16.196 1.956 -2.702 557 2HG LYS 76 2HG LYS 76 17.034 1.818 -1.169 558 1HD LYS 76 1HD LYS 76 18.038 3.641 -3.396 559 2HD LYS 76 2HD LYS 76 16.868 4.185 -2.210 560 1HE LYS 76 1HE LYS 76 18.454 3.656 -0.368 561 2HE LYS 76 2HE LYS 76 19.617 3.037 -1.523 562 1HZ LYS 76 1HZ LYS 76 18.737 5.644 -2.192 563 2HZ LYS 76 2HZ LYS 76 19.409 5.600 -0.705 564 3HZ LYS 76 3HZ LYS 76 20.258 5.082 -2.000 565 H GLU 77 H GLU 77 15.323 0.455 -3.976 566 HA GLU 77 HA GLU 77 13.814 0.273 -1.568 567 1HB GLU 77 1HB GLU 77 11.950 0.783 -3.500 568 2HB GLU 77 2HB GLU 77 12.922 2.022 -2.731 569 1HG GLU 77 1HG GLU 77 14.610 1.854 -4.554 570 2HG GLU 77 2HG GLU 77 13.684 0.574 -5.312 571 H ILE 78 H ILE 78 14.066 -1.494 -4.698 572 HA ILE 78 HA ILE 78 11.880 -3.139 -4.444 573 HB ILE 78 HB ILE 78 14.526 -3.315 -5.806 574 1HG1 ILE 78 1HG1 ILE 78 11.985 -2.330 -6.447 575 2HG1 ILE 78 2HG1 ILE 78 13.362 -2.504 -7.516 576 1HG2 ILE 78 1HG2 ILE 78 14.126 -5.599 -4.973 577 2HG2 ILE 78 2HG2 ILE 78 12.532 -5.597 -5.766 578 3HG2 ILE 78 3HG2 ILE 78 14.014 -5.491 -6.747 579 1HD1 ILE 78 1HD1 ILE 78 12.659 -4.841 -8.050 580 2HD1 ILE 78 2HD1 ILE 78 11.249 -4.643 -6.982 581 3HD1 ILE 78 3HD1 ILE 78 11.393 -3.657 -8.457 582 H ASN 79 H ASN 79 15.234 -3.578 -3.151 583 HA ASN 79 HA ASN 79 14.897 -6.062 -2.112 584 1HB ASN 79 1HB ASN 79 16.635 -3.700 -1.545 585 2HB ASN 79 2HB ASN 79 16.490 -4.814 -0.201 586 1HD2 ASN 79 1HD2 ASN 79 18.596 -4.087 -2.307 587 2HD2 ASN 79 2HD2 ASN 79 19.196 -5.608 -2.878 588 H THR 80 H THR 80 14.208 -2.805 -0.659 589 HA THR 80 HA THR 80 13.162 -3.975 1.760 590 HB THR 80 HB THR 80 13.311 -1.121 0.655 591 HG1 THR 80 1HG THR 80 15.375 -1.923 1.206 592 1HG2 THR 80 1HG2 THR 80 12.498 -2.244 3.379 593 2HG2 THR 80 2HG2 THR 80 13.111 -0.586 3.176 594 3HG2 THR 80 3HG2 THR 80 11.601 -1.080 2.375 595 H LEU 81 H LEU 81 11.831 -2.256 -1.130 596 HA LEU 81 HA LEU 81 9.187 -2.306 -0.272 597 1HB LEU 81 1HB LEU 81 9.704 -0.857 -2.005 598 2HB LEU 81 2HB LEU 81 10.561 -2.079 -2.923 599 HG LEU 81 HG LEU 81 8.281 -1.274 -3.784 600 1HD1 LEU 81 1HD1 LEU 81 9.670 -3.639 -4.086 601 2HD1 LEU 81 2HD1 LEU 81 8.020 -4.185 -3.702 602 3HD1 LEU 81 3HD1 LEU 81 8.298 -3.091 -5.078 603 1HD2 LEU 81 1HD2 LEU 81 7.266 -1.597 -1.422 604 2HD2 LEU 81 2HD2 LEU 81 6.302 -2.043 -2.850 605 3HD2 LEU 81 3HD2 LEU 81 7.118 -3.306 -1.897 606 H ASN 82 H ASN 82 10.908 -4.566 -2.545 607 HA ASN 82 HA ASN 82 8.869 -6.293 -2.917 608 1HB ASN 82 1HB ASN 82 11.330 -6.264 -3.860 609 2HB ASN 82 2HB ASN 82 11.725 -7.272 -2.482 610 1HD2 ASN 82 1HD2 ASN 82 11.023 -7.359 -5.628 611 2HD2 ASN 82 2HD2 ASN 82 10.274 -8.912 -5.795 612 H ASP 83 H ASP 83 11.238 -6.052 -0.207 613 HA ASP 83 HA ASP 83 10.416 -8.451 1.011 614 1HB ASP 83 1HB ASP 83 12.561 -7.788 1.673 615 2HB ASP 83 2HB ASP 83 12.135 -6.090 1.732 616 H TRP 84 H TRP 84 9.552 -4.975 1.194 617 HA TRP 84 HA TRP 84 8.152 -4.991 3.596 618 1HB TRP 84 1HB TRP 84 8.406 -3.256 1.244 619 2HB TRP 84 2HB TRP 84 6.847 -3.143 2.035 620 HD1 TRP 84 HD TRP 84 9.670 -1.125 2.112 621 HE1 TRP 84 1HE TRP 84 10.315 -0.032 4.426 622 HE3 TRP 84 3HE TRP 84 6.953 -4.327 4.979 623 HZ2 TRP 84 2HZ TRP 84 9.631 -0.616 7.134 624 HZ3 TRP 84 3HZ TRP 84 6.996 -3.996 7.449 625 HH2 TRP 84 HH TRP 84 8.275 -2.218 8.533 626 H GLU 85 H GLU 85 7.364 -6.101 0.298 627 HA GLU 85 HA GLU 85 4.615 -6.236 0.629 628 1HB GLU 85 1HB GLU 85 5.185 -6.466 -1.592 629 2HB GLU 85 2HB GLU 85 6.642 -7.374 -1.243 630 1HG GLU 85 1HG GLU 85 5.288 -9.394 -0.722 631 2HG GLU 85 2HG GLU 85 3.810 -8.493 -0.994 632 H THR 86 H THR 86 7.213 -8.728 1.089 633 HA THR 86 HA THR 86 5.486 -10.792 1.870 634 HB THR 86 HB THR 86 8.433 -10.138 2.063 635 HG1 THR 86 1HG THR 86 8.303 -11.663 0.438 636 1HG2 THR 86 1HG2 THR 86 8.203 -12.809 2.858 637 2HG2 THR 86 2HG2 THR 86 8.661 -11.463 3.929 638 3HG2 THR 86 3HG2 THR 86 6.966 -11.999 3.849 639 H LYS 87 H LYS 87 6.882 -8.043 3.648 640 HA LYS 87 HA LYS 87 6.208 -9.122 6.197 641 1HB LYS 87 1HB LYS 87 6.879 -6.274 5.400 642 2HB LYS 87 2HB LYS 87 6.856 -6.916 7.029 643 1HG LYS 87 1HG LYS 87 8.735 -8.353 6.616 644 2HG LYS 87 2HG LYS 87 8.588 -8.189 4.877 645 1HD LYS 87 1HD LYS 87 9.739 -6.202 4.831 646 2HD LYS 87 2HD LYS 87 8.962 -5.600 6.282 647 1HE LYS 87 1HE LYS 87 10.424 -7.302 7.589 648 2HE LYS 87 2HE LYS 87 11.329 -7.511 6.104 649 1HZ LYS 87 1HZ LYS 87 12.128 -5.408 6.216 650 2HZ LYS 87 2HZ LYS 87 10.854 -4.807 7.044 651 3HZ LYS 87 3HZ LYS 87 11.980 -5.704 7.816 652 H PHE 88 H PHE 88 4.689 -6.892 3.820 653 HA PHE 88 HA PHE 88 2.507 -6.323 5.579 654 1HB PHE 88 1HB PHE 88 3.585 -5.615 2.894 655 2HB PHE 88 2HB PHE 88 1.836 -5.723 2.883 656 HD1 PHE 88 1HD PHE 88 0.921 -3.613 2.937 657 HD2 PHE 88 2HD PHE 88 4.280 -4.428 5.400 658 HE1 PHE 88 1HE PHE 88 0.773 -1.302 3.905 659 HE2 PHE 88 2HE PHE 88 4.131 -2.117 6.368 660 HZ PHE 88 HZ PHE 88 2.380 -0.581 5.609 661 H GLU 89 H GLU 89 3.108 -8.420 2.702 662 HA GLU 89 HA GLU 89 0.439 -9.240 2.504 663 1HB GLU 89 1HB GLU 89 1.452 -9.733 0.520 664 2HB GLU 89 2HB GLU 89 3.034 -9.905 1.254 665 1HG GLU 89 1HG GLU 89 0.941 -12.027 1.778 666 2HG GLU 89 2HG GLU 89 1.773 -12.022 0.236 667 H ALA 90 H ALA 90 3.273 -10.364 4.356 668 HA ALA 90 HA ALA 90 1.865 -12.757 5.199 669 1HB ALA 90 1HB ALA 90 4.565 -11.733 6.133 670 2HB ALA 90 2HB ALA 90 3.954 -13.404 6.144 671 3HB ALA 90 3HB ALA 90 4.357 -12.614 4.601 672 H LYS 91 H LYS 91 0.769 -10.050 5.813 673 HA LYS 91 HA LYS 91 0.430 -10.498 8.633 674 1HB LYS 91 1HB LYS 91 1.993 -8.167 7.575 675 2HB LYS 91 2HB LYS 91 0.941 -7.922 8.954 676 1HG LYS 91 1HG LYS 91 2.275 -10.336 9.544 677 2HG LYS 91 2HG LYS 91 3.514 -9.344 8.803 678 1HD LYS 91 1HD LYS 91 2.826 -7.456 10.390 679 2HD LYS 91 2HD LYS 91 1.783 -8.604 11.205 680 1HE LYS 91 1HE LYS 91 3.905 -10.104 11.437 681 2HE LYS 91 2HE LYS 91 4.819 -8.680 10.980 682 1HZ LYS 91 1HZ LYS 91 2.974 -8.864 13.260 683 2HZ LYS 91 2HZ LYS 91 4.605 -8.827 13.343 684 3HZ LYS 91 3HZ LYS 91 3.784 -7.515 12.823 685 H TYR 92 H TYR 92 -0.063 -8.056 5.983 686 HA TYR 92 HA TYR 92 -2.754 -7.601 6.934 687 1HB TYR 92 1HB TYR 92 -0.954 -6.641 4.631 688 2HB TYR 92 2HB TYR 92 -2.601 -6.068 4.801 689 HD1 TYR 92 1HD TYR 92 -2.726 -5.789 7.806 690 HD2 TYR 92 2HD TYR 92 0.299 -4.676 4.992 691 HE1 TYR 92 1HE TYR 92 -1.923 -3.962 9.381 692 HE2 TYR 92 2HE TYR 92 1.092 -2.853 6.577 693 HH TYR 92 HH TYR 92 -0.221 -1.468 8.526 694 HA PRO 93 HA PRO 93 -4.544 -10.435 4.177 695 1HB PRO 93 1HB PRO 93 -7.161 -9.687 4.422 696 2HB PRO 93 2HB PRO 93 -6.355 -10.740 5.567 697 1HG PRO 93 1HG PRO 93 -7.085 -7.892 5.866 698 2HG PRO 93 2HG PRO 93 -6.679 -9.057 7.110 699 1HD PRO 93 1HD PRO 93 -4.988 -6.977 6.090 700 2HD PRO 93 2HD PRO 93 -4.545 -8.215 7.250 701 H VAL 94 H VAL 94 -4.859 -10.691 2.026 702 HA VAL 94 HA VAL 94 -4.902 -8.174 0.586 703 HB VAL 94 HB VAL 94 -4.659 -11.002 -0.450 704 1HG1 VAL 94 1HG1 VAL 94 -3.280 -8.878 -1.905 705 2HG1 VAL 94 2HG1 VAL 94 -4.411 -10.120 -2.493 706 3HG1 VAL 94 3HG1 VAL 94 -5.036 -8.601 -1.808 707 1HG2 VAL 94 1HG2 VAL 94 -2.776 -9.408 1.090 708 2HG2 VAL 94 2HG2 VAL 94 -2.669 -11.105 0.561 709 3HG2 VAL 94 3HG2 VAL 94 -2.133 -9.799 -0.523 710 H VAL 95 H VAL 95 -6.853 -7.260 0.199 711 HA VAL 95 HA VAL 95 -9.168 -9.001 -0.012 712 HB VAL 95 HB VAL 95 -10.437 -6.944 0.123 713 1HG1 VAL 95 1HG1 VAL 95 -8.389 -7.676 2.124 714 2HG1 VAL 95 2HG1 VAL 95 -9.082 -6.048 2.321 715 3HG1 VAL 95 3HG1 VAL 95 -10.149 -7.473 2.299 716 1HG2 VAL 95 1HG2 VAL 95 -7.960 -5.290 0.481 717 2HG2 VAL 95 2HG2 VAL 95 -8.522 -5.662 -1.166 718 3HG2 VAL 95 3HG2 VAL 95 -9.593 -4.804 -0.033 719 H GLY 96 H GLY 96 -6.754 -7.720 -2.027 720 1HA GLY 96 1HA GLY 96 -7.774 -8.677 -4.385 721 2HA GLY 96 2HA GLY 96 -8.360 -7.028 -4.293 722 H ARG 97 H ARG 97 -6.817 -7.205 -6.367 723 HA ARG 97 HA ARG 97 -4.212 -6.305 -5.431 724 1HB ARG 97 1HB ARG 97 -3.106 -7.492 -7.136 725 2HB ARG 97 2HB ARG 97 -4.403 -8.601 -6.741 726 1HG ARG 97 1HG ARG 97 -4.513 -8.491 -9.098 727 2HG ARG 97 2HG ARG 97 -5.769 -7.376 -8.601 728 1HD ARG 97 1HD ARG 97 -4.725 -5.664 -9.666 729 2HD ARG 97 2HD ARG 97 -3.274 -5.914 -8.715 730 HE ARG 97 HE ARG 97 -3.801 -6.954 -11.424 731 1HH1 ARG 97 2HH2 ARG 97 -1.774 -7.142 -8.553 732 2HH1 ARG 97 1HH2 ARG 97 -0.442 -7.873 -9.386 733 1HH2 ARG 97 2HH1 ARG 97 -2.045 -7.919 -12.522 734 2HH2 ARG 97 1HH1 ARG 97 -0.597 -8.318 -11.658 735 H VAL 98 H VAL 98 -3.503 -4.322 -6.282 736 HA VAL 98 HA VAL 98 -5.349 -2.611 -7.422 737 HB VAL 98 HB VAL 98 -2.342 -2.609 -7.240 738 1HG1 VAL 98 1HG1 VAL 98 -3.071 -1.304 -9.243 739 2HG1 VAL 98 2HG1 VAL 98 -4.061 -0.286 -8.170 740 3HG1 VAL 98 3HG1 VAL 98 -2.290 -0.314 -7.987 741 1HG2 VAL 98 1HG2 VAL 98 -4.617 -1.456 -5.661 742 2HG2 VAL 98 2HG2 VAL 98 -3.132 -2.265 -5.103 743 3HG2 VAL 98 3HG2 VAL 98 -3.063 -0.588 -5.696 744 H VAL 99 H VAL 99 -6.189 -2.443 -9.433 745 HA VAL 99 HA VAL 99 -4.763 -3.860 -11.567 746 HB VAL 99 HB VAL 99 -7.191 -3.376 -12.600 747 1HG1 VAL 99 1HG1 VAL 99 -6.065 -5.561 -12.419 748 2HG1 VAL 99 2HG1 VAL 99 -6.545 -5.664 -10.708 749 3HG1 VAL 99 3HG1 VAL 99 -7.787 -5.668 -11.984 750 1HG2 VAL 99 1HG2 VAL 99 -8.920 -3.719 -10.882 751 2HG2 VAL 99 2HG2 VAL 99 -7.675 -3.635 -9.612 752 3HG2 VAL 99 3HG2 VAL 99 -8.022 -2.205 -10.614 753 H SER 100 H SER 100 -6.656 -0.845 -10.856 754 HA SER 100 HA SER 100 -6.511 1.171 -11.643 755 1HB SER 100 1HB SER 100 -4.013 0.755 -11.071 756 2HB SER 100 2HB SER 100 -3.765 0.556 -12.794 757 HG SER 100 HG SER 100 -4.932 2.899 -11.547 Start of MODEL 6 1 1H GLY -1 H GLY -1 -7.824 -15.314 -9.702 2 1HA GLY -1 1HA GLY -1 -7.914 -13.060 -9.567 3 2HA GLY -1 2HA GLY -1 -9.343 -13.253 -10.563 4 HA PRO 0 HA PRO 0 -10.420 -12.312 -6.022 5 1HB PRO 0 1HB PRO 0 -8.988 -10.194 -5.056 6 2HB PRO 0 2HB PRO 0 -8.605 -11.862 -4.679 7 1HG PRO 0 1HG PRO 0 -7.220 -10.013 -6.523 8 2HG PRO 0 2HG PRO 0 -6.630 -11.505 -5.816 9 1HD PRO 0 1HD PRO 0 -7.550 -11.127 -8.507 10 2HD PRO 0 2HD PRO 0 -7.071 -12.641 -7.766 11 H MET 1 H MET 1 -10.898 -9.791 -4.954 12 HA MET 1 HA MET 1 -12.899 -8.992 -6.727 13 1HB MET 1 1HB MET 1 -11.640 -7.817 -4.204 14 2HB MET 1 2HB MET 1 -12.905 -6.945 -5.047 15 1HG MET 1 1HG MET 1 -14.473 -8.816 -4.763 16 2HG MET 1 2HG MET 1 -13.209 -9.836 -4.105 17 1HE MET 1 1HE MET 1 -12.704 -10.166 -2.019 18 2HE MET 1 2HE MET 1 -13.243 -9.312 -0.553 19 3HE MET 1 3HE MET 1 -14.408 -10.256 -1.512 20 H GLU 2 H GLU 2 -9.547 -7.914 -6.148 21 HA GLU 2 HA GLU 2 -8.262 -6.482 -7.153 22 1HB GLU 2 1HB GLU 2 -10.230 -7.018 -9.398 23 2HB GLU 2 2HB GLU 2 -8.900 -5.901 -9.628 24 1HG GLU 2 1HG GLU 2 -7.329 -7.573 -9.686 25 2HG GLU 2 2HG GLU 2 -8.077 -8.460 -8.372 26 H PHE 3 H PHE 3 -8.075 -4.409 -6.432 27 HA PHE 3 HA PHE 3 -10.440 -2.697 -6.729 28 1HB PHE 3 1HB PHE 3 -8.074 -2.830 -4.774 29 2HB PHE 3 2HB PHE 3 -9.152 -1.449 -4.813 30 HD1 PHE 3 1HD PHE 3 -9.074 -5.115 -4.254 31 HD2 PHE 3 2HD PHE 3 -11.192 -1.488 -3.650 32 HE1 PHE 3 1HE PHE 3 -10.637 -6.290 -2.681 33 HE2 PHE 3 2HE PHE 3 -12.756 -2.663 -2.077 34 HZ PHE 3 HZ PHE 3 -12.459 -5.051 -1.611 35 H THR 4 H THR 4 -10.282 -0.850 -7.939 36 HA THR 4 HA THR 4 -7.827 -0.401 -9.364 37 HB THR 4 HB THR 4 -9.218 1.225 -10.583 38 HG1 THR 4 1HG THR 4 -11.339 1.690 -9.599 39 1HG2 THR 4 1HG2 THR 4 -11.506 -0.515 -10.135 40 2HG2 THR 4 2HG2 THR 4 -10.449 -0.430 -11.565 41 3HG2 THR 4 3HG2 THR 4 -10.027 -1.502 -10.208 42 H ALA 5 H ALA 5 -6.665 1.633 -9.454 43 HA ALA 5 HA ALA 5 -5.851 2.491 -6.967 44 1HB ALA 5 1HB ALA 5 -4.277 3.196 -8.417 45 2HB ALA 5 2HB ALA 5 -5.420 3.166 -9.781 46 3HB ALA 5 3HB ALA 5 -5.324 4.600 -8.731 47 H GLU 6 H GLU 6 -8.570 3.527 -9.007 48 HA GLU 6 HA GLU 6 -8.973 5.954 -7.643 49 1HB GLU 6 1HB GLU 6 -10.621 4.268 -9.546 50 2HB GLU 6 2HB GLU 6 -11.344 5.656 -8.758 51 1HG GLU 6 1HG GLU 6 -10.370 7.028 -10.274 52 2HG GLU 6 2HG GLU 6 -8.787 6.516 -9.724 53 H GLN 7 H GLN 7 -10.420 2.644 -7.428 54 HA GLN 7 HA GLN 7 -12.198 3.408 -5.378 55 1HB GLN 7 1HB GLN 7 -11.433 0.899 -6.797 56 2HB GLN 7 2HB GLN 7 -12.048 0.674 -5.171 57 1HG GLN 7 1HG GLN 7 -14.105 0.764 -6.170 58 2HG GLN 7 2HG GLN 7 -13.867 2.500 -6.124 59 1HE2 GLN 7 1HE2 GLN 7 -13.060 3.591 -7.960 60 2HE2 GLN 7 2HE2 GLN 7 -13.247 2.951 -9.559 61 H LEU 8 H LEU 8 -8.925 1.946 -5.535 62 HA LEU 8 HA LEU 8 -8.788 1.223 -2.825 63 1HB LEU 8 1HB LEU 8 -7.282 0.154 -4.199 64 2HB LEU 8 2HB LEU 8 -6.845 1.617 -5.059 65 HG LEU 8 HG LEU 8 -5.915 2.248 -2.593 66 1HD1 LEU 8 1HD1 LEU 8 -4.796 -0.418 -2.511 67 2HD1 LEU 8 2HD1 LEU 8 -5.577 0.533 -1.224 68 3HD1 LEU 8 3HD1 LEU 8 -6.565 -0.463 -2.318 69 1HD2 LEU 8 1HD2 LEU 8 -4.681 2.419 -4.693 70 2HD2 LEU 8 2HD2 LEU 8 -3.692 1.653 -3.427 71 3HD2 LEU 8 3HD2 LEU 8 -4.431 0.657 -4.704 72 H SER 9 H SER 9 -8.422 4.278 -4.572 73 HA SER 9 HA SER 9 -7.059 5.544 -2.433 74 1HB SER 9 1HB SER 9 -7.398 7.607 -3.756 75 2HB SER 9 2HB SER 9 -6.785 6.308 -4.760 76 HG SER 9 HG SER 9 -8.802 7.730 -5.414 77 H GLN 10 H GLN 10 -10.074 4.273 -2.526 78 HA GLN 10 HA GLN 10 -11.358 6.568 -1.298 79 1HB GLN 10 1HB GLN 10 -12.702 3.920 -1.921 80 2HB GLN 10 2HB GLN 10 -13.445 5.496 -1.735 81 1HG GLN 10 1HG GLN 10 -12.185 6.267 -3.806 82 2HG GLN 10 2HG GLN 10 -11.612 4.624 -4.018 83 1HE2 GLN 10 1HE2 GLN 10 -13.659 3.038 -3.469 84 2HE2 GLN 10 2HE2 GLN 10 -15.013 3.305 -4.516 85 H TYR 11 H TYR 11 -9.236 4.442 -0.231 86 HA TYR 11 HA TYR 11 -10.611 4.118 2.331 87 1HB TYR 11 1HB TYR 11 -8.839 2.027 0.935 88 2HB TYR 11 2HB TYR 11 -9.790 1.775 2.385 89 HD1 TYR 11 1HD TYR 11 -12.389 2.027 2.128 90 HD2 TYR 11 2HD TYR 11 -9.708 1.409 -1.148 91 HE1 TYR 11 1HE TYR 11 -14.312 1.163 0.707 92 HE2 TYR 11 2HE TYR 11 -11.640 0.548 -2.558 93 HH TYR 11 HH TYR 11 -14.428 1.096 -2.316 94 H ASN 12 H ASN 12 -8.853 6.202 1.771 95 HA ASN 12 HA ASN 12 -6.248 5.301 2.591 96 1HB ASN 12 1HB ASN 12 -5.515 7.557 2.088 97 2HB ASN 12 2HB ASN 12 -6.642 7.117 0.819 98 1HD2 ASN 12 1HD2 ASN 12 -6.276 8.830 3.876 99 2HD2 ASN 12 2HD2 ASN 12 -7.566 9.967 3.667 100 H GLY 13 H GLY 13 -9.009 5.565 4.217 101 1HA GLY 13 1HA GLY 13 -9.421 5.774 6.438 102 2HA GLY 13 2HA GLY 13 -7.775 6.314 6.699 103 H THR 14 H THR 14 -11.104 7.271 6.262 104 HA THR 14 HA THR 14 -10.729 9.810 7.303 105 HB THR 14 HB THR 14 -9.712 9.748 4.724 106 HG1 THR 14 1HG THR 14 -9.534 11.477 6.295 107 1HG2 THR 14 1HG2 THR 14 -11.274 10.885 3.264 108 2HG2 THR 14 2HG2 THR 14 -12.147 9.462 3.883 109 3HG2 THR 14 3HG2 THR 14 -12.462 11.072 4.575 110 H ASP 15 H ASP 15 -12.586 7.653 5.138 111 HA ASP 15 HA ASP 15 -15.001 9.019 5.566 112 1HB ASP 15 1HB ASP 15 -14.059 6.556 4.237 113 2HB ASP 15 2HB ASP 15 -15.642 6.347 4.958 114 H GLU 16 H GLU 16 -16.862 7.017 6.296 115 HA GLU 16 HA GLU 16 -16.109 6.621 9.067 116 1HB GLU 16 1HB GLU 16 -18.717 6.919 7.591 117 2HB GLU 16 2HB GLU 16 -18.723 6.008 9.088 118 1HG GLU 16 1HG GLU 16 -17.726 7.919 10.303 119 2HG GLU 16 2HG GLU 16 -17.576 8.826 8.811 120 H SER 17 H SER 17 -18.071 4.833 6.568 121 HA SER 17 HA SER 17 -17.481 2.383 7.891 122 1HB SER 17 1HB SER 17 -18.915 2.968 5.262 123 2HB SER 17 2HB SER 17 -18.831 1.386 6.012 124 HG SER 17 HG SER 17 -19.694 2.965 7.958 125 H LYS 18 H LYS 18 -16.684 3.962 4.725 126 HA LYS 18 HA LYS 18 -15.334 2.074 3.425 127 1HB LYS 18 1HB LYS 18 -15.246 4.977 3.574 128 2HB LYS 18 2HB LYS 18 -13.668 4.319 3.190 129 1HG LYS 18 1HG LYS 18 -15.056 4.736 1.144 130 2HG LYS 18 2HG LYS 18 -14.576 3.057 1.297 131 1HD LYS 18 1HD LYS 18 -16.929 2.924 2.643 132 2HD LYS 18 2HD LYS 18 -17.298 4.296 1.617 133 1HE LYS 18 1HE LYS 18 -15.990 2.070 0.157 134 2HE LYS 18 2HE LYS 18 -17.523 1.615 0.875 135 1HZ LYS 18 1HZ LYS 18 -17.695 2.586 -1.358 136 2HZ LYS 18 2HZ LYS 18 -18.578 3.394 -0.246 137 3HZ LYS 18 3HZ LYS 18 -17.164 4.017 -0.776 138 HA PRO 19 HA PRO 19 -12.253 0.804 6.232 139 1HB PRO 19 1HB PRO 19 -11.261 -1.267 4.750 140 2HB PRO 19 2HB PRO 19 -12.655 -1.421 5.801 141 1HG PRO 19 1HG PRO 19 -12.567 -1.256 2.851 142 2HG PRO 19 2HG PRO 19 -13.866 -1.827 3.880 143 1HD PRO 19 1HD PRO 19 -13.725 0.706 2.540 144 2HD PRO 19 2HD PRO 19 -14.966 0.180 3.660 145 H ILE 20 H ILE 20 -9.777 -0.227 5.642 146 HA ILE 20 HA ILE 20 -8.637 1.990 4.089 147 HB ILE 20 HB ILE 20 -7.499 0.764 6.604 148 1HG1 ILE 20 1HG1 ILE 20 -8.019 3.511 6.969 149 2HG1 ILE 20 2HG1 ILE 20 -9.468 2.855 6.232 150 1HG2 ILE 20 1HG2 ILE 20 -6.224 3.168 6.127 151 2HG2 ILE 20 2HG2 ILE 20 -5.571 1.545 5.801 152 3HG2 ILE 20 3HG2 ILE 20 -6.377 2.457 4.503 153 1HD1 ILE 20 1HD1 ILE 20 -8.089 1.531 8.607 154 2HD1 ILE 20 2HD1 ILE 20 -9.393 2.730 8.780 155 3HD1 ILE 20 3HD1 ILE 20 -9.711 1.181 7.961 156 H TYR 21 H TYR 21 -7.670 1.262 2.280 157 HA TYR 21 HA TYR 21 -6.426 -1.399 2.424 158 1HB TYR 21 1HB TYR 21 -8.012 0.032 0.201 159 2HB TYR 21 2HB TYR 21 -7.187 -1.495 -0.042 160 HD1 TYR 21 1HD TYR 21 -8.006 -2.420 2.923 161 HD2 TYR 21 2HD TYR 21 -10.142 -0.997 -0.500 162 HE1 TYR 21 1HE TYR 21 -10.085 -3.663 3.694 163 HE2 TYR 21 2HE TYR 21 -12.214 -2.245 0.283 164 HH TYR 21 HH TYR 21 -12.073 -4.526 2.868 165 H VAL 22 H VAL 22 -4.395 -1.610 1.482 166 HA VAL 22 HA VAL 22 -3.322 0.863 0.308 167 HB VAL 22 HB VAL 22 -1.926 -1.218 2.003 168 1HG1 VAL 22 1HG1 VAL 22 -0.070 0.543 1.970 169 2HG1 VAL 22 2HG1 VAL 22 -0.312 -0.402 0.480 170 3HG1 VAL 22 3HG1 VAL 22 -0.929 1.264 0.588 171 1HG2 VAL 22 1HG2 VAL 22 -2.261 1.664 2.786 172 2HG2 VAL 22 2HG2 VAL 22 -3.597 0.518 3.052 173 3HG2 VAL 22 3HG2 VAL 22 -2.011 0.228 3.807 174 H ALA 23 H ALA 23 -1.264 0.299 -1.084 175 HA ALA 23 HA ALA 23 -1.815 -2.179 -2.562 176 1HB ALA 23 1HB ALA 23 -1.175 -0.801 -4.624 177 2HB ALA 23 2HB ALA 23 -2.765 -0.449 -3.904 178 3HB ALA 23 3HB ALA 23 -1.390 0.641 -3.603 179 H ILE 24 H ILE 24 0.003 -3.350 -3.177 180 HA ILE 24 HA ILE 24 2.594 -2.100 -2.985 181 HB ILE 24 HB ILE 24 1.611 -4.121 -1.003 182 1HG1 ILE 24 1HG1 ILE 24 3.178 -1.536 -0.845 183 2HG1 ILE 24 2HG1 ILE 24 1.552 -1.841 -0.266 184 1HG2 ILE 24 1HG2 ILE 24 3.428 -5.375 -1.328 185 2HG2 ILE 24 2HG2 ILE 24 4.198 -4.153 -2.368 186 3HG2 ILE 24 3HG2 ILE 24 4.338 -4.031 -0.598 187 1HD1 ILE 24 1HD1 ILE 24 2.766 -2.065 1.716 188 2HD1 ILE 24 2HD1 ILE 24 2.739 -3.756 1.161 189 3HD1 ILE 24 3HD1 ILE 24 4.185 -2.753 0.890 190 H LYS 25 H LYS 25 3.541 -2.691 -4.853 191 HA LYS 25 HA LYS 25 4.265 -3.952 -6.517 192 1HB LYS 25 1HB LYS 25 3.481 -6.191 -4.644 193 2HB LYS 25 2HB LYS 25 4.155 -6.501 -6.231 194 1HG LYS 25 1HG LYS 25 5.515 -4.655 -4.221 195 2HG LYS 25 2HG LYS 25 5.827 -6.379 -4.265 196 1HD LYS 25 1HD LYS 25 6.229 -4.453 -6.604 197 2HD LYS 25 2HD LYS 25 7.508 -5.096 -5.593 198 1HE LYS 25 1HE LYS 25 7.652 -6.846 -7.032 199 2HE LYS 25 2HE LYS 25 6.101 -7.392 -6.425 200 1HZ LYS 25 1HZ LYS 25 6.710 -6.025 -8.874 201 2HZ LYS 25 2HZ LYS 25 5.530 -7.106 -8.549 202 3HZ LYS 25 3HZ LYS 25 5.337 -5.537 -8.137 203 H GLY 26 H GLY 26 1.226 -3.222 -5.836 204 1HA GLY 26 1HA GLY 26 -0.401 -2.999 -7.496 205 2HA GLY 26 2HA GLY 26 0.230 -4.406 -8.328 206 H ARG 27 H ARG 27 0.057 -4.802 -4.880 207 HA ARG 27 HA ARG 27 -2.393 -6.325 -5.269 208 1HB ARG 27 1HB ARG 27 0.013 -7.348 -4.516 209 2HB ARG 27 2HB ARG 27 -0.577 -6.887 -2.932 210 1HG ARG 27 1HG ARG 27 -2.746 -8.148 -3.488 211 2HG ARG 27 2HG ARG 27 -1.940 -8.756 -4.921 212 1HD ARG 27 1HD ARG 27 -0.266 -9.098 -2.524 213 2HD ARG 27 2HD ARG 27 -1.826 -9.873 -2.330 214 HE ARG 27 HE ARG 27 0.287 -10.868 -3.927 215 1HH1 ARG 27 2HH2 ARG 27 -3.157 -10.228 -4.268 216 2HH1 ARG 27 1HH2 ARG 27 -3.401 -11.470 -5.450 217 1HH2 ARG 27 2HH1 ARG 27 -0.035 -12.506 -5.487 218 2HH2 ARG 27 1HH1 ARG 27 -1.613 -12.775 -6.148 219 H VAL 28 H VAL 28 -4.170 -5.660 -4.085 220 HA VAL 28 HA VAL 28 -3.873 -3.431 -2.325 221 HB VAL 28 HB VAL 28 -6.216 -5.150 -3.153 222 1HG1 VAL 28 1HG1 VAL 28 -7.521 -3.087 -2.240 223 2HG1 VAL 28 2HG1 VAL 28 -6.949 -4.329 -1.100 224 3HG1 VAL 28 3HG1 VAL 28 -6.054 -2.801 -1.273 225 1HG2 VAL 28 1HG2 VAL 28 -4.796 -3.115 -4.498 226 2HG2 VAL 28 2HG2 VAL 28 -6.349 -3.850 -4.961 227 3HG2 VAL 28 3HG2 VAL 28 -6.325 -2.378 -3.962 228 H PHE 29 H PHE 29 -3.387 -3.514 -0.198 229 HA PHE 29 HA PHE 29 -3.976 -6.041 1.178 230 1HB PHE 29 1HB PHE 29 -1.747 -3.940 1.416 231 2HB PHE 29 2HB PHE 29 -1.995 -5.155 2.654 232 HD1 PHE 29 1HD PHE 29 -0.101 -4.386 -0.123 233 HD2 PHE 29 2HD PHE 29 -2.200 -7.650 1.595 234 HE1 PHE 29 1HE PHE 29 1.340 -5.990 -1.408 235 HE2 PHE 29 2HE PHE 29 -0.759 -9.253 0.310 236 HZ PHE 29 HZ PHE 29 0.994 -8.404 -1.176 237 H ASP 30 H ASP 30 -4.826 -5.935 3.311 238 HA ASP 30 HA ASP 30 -6.134 -3.419 3.822 239 1HB ASP 30 1HB ASP 30 -6.490 -6.279 4.654 240 2HB ASP 30 2HB ASP 30 -6.989 -5.075 5.825 241 H VAL 31 H VAL 31 -5.693 -2.156 5.708 242 HA VAL 31 HA VAL 31 -3.744 -3.263 7.590 243 HB VAL 31 HB VAL 31 -2.491 -1.200 7.570 244 1HG1 VAL 31 1HG1 VAL 31 -2.495 -1.632 4.660 245 2HG1 VAL 31 2HG1 VAL 31 -1.198 -1.868 5.856 246 3HG1 VAL 31 3HG1 VAL 31 -2.425 -3.135 5.612 247 1HG2 VAL 31 1HG2 VAL 31 -4.722 -0.276 5.826 248 2HG2 VAL 31 2HG2 VAL 31 -3.775 0.607 7.047 249 3HG2 VAL 31 3HG2 VAL 31 -3.090 0.315 5.431 250 H THR 32 H THR 32 -6.814 -2.386 7.173 251 HA THR 32 HA THR 32 -7.366 -0.301 8.891 252 HB THR 32 HB THR 32 -9.267 -1.010 7.771 253 HG1 THR 32 1HG THR 32 -10.491 -1.762 9.480 254 1HG2 THR 32 1HG2 THR 32 -9.734 -3.647 7.736 255 2HG2 THR 32 2HG2 THR 32 -8.632 -2.920 6.543 256 3HG2 THR 32 3HG2 THR 32 -7.973 -3.741 7.978 257 H THR 33 H THR 33 -6.213 -3.548 9.621 258 HA THR 33 HA THR 33 -7.099 -3.759 12.250 259 HB THR 33 HB THR 33 -5.354 -5.468 12.393 260 HG1 THR 33 1HG THR 33 -4.364 -3.856 10.154 261 1HG2 THR 33 1HG2 THR 33 -6.435 -6.709 10.809 262 2HG2 THR 33 2HG2 THR 33 -7.008 -5.227 10.007 263 3HG2 THR 33 3HG2 THR 33 -5.432 -5.925 9.566 264 H GLY 34 H GLY 34 -5.145 -1.339 10.900 265 1HA GLY 34 1HA GLY 34 -4.424 -0.431 13.576 266 2HA GLY 34 2HA GLY 34 -3.100 -0.739 12.469 267 H LYS 35 H LYS 35 -6.422 0.580 11.839 268 HA LYS 35 HA LYS 35 -5.641 2.432 9.984 269 1HB LYS 35 1HB LYS 35 -7.822 2.983 9.948 270 2HB LYS 35 2HB LYS 35 -8.003 1.597 11.005 271 1HG LYS 35 1HG LYS 35 -7.715 3.144 12.997 272 2HG LYS 35 2HG LYS 35 -7.684 4.503 11.891 273 1HD LYS 35 1HD LYS 35 -9.987 2.661 11.487 274 2HD LYS 35 2HD LYS 35 -9.973 3.456 13.049 275 1HE LYS 35 1HE LYS 35 -10.052 5.637 12.083 276 2HE LYS 35 2HE LYS 35 -9.500 5.070 10.520 277 1HZ LYS 35 1HZ LYS 35 -11.580 3.908 10.263 278 2HZ LYS 35 2HZ LYS 35 -12.093 4.403 11.733 279 3HZ LYS 35 3HZ LYS 35 -11.858 5.493 10.540 280 H SER 36 H SER 36 -5.163 2.434 13.451 281 HA SER 36 HA SER 36 -5.057 5.135 13.918 282 1HB SER 36 1HB SER 36 -4.758 2.945 15.457 283 2HB SER 36 2HB SER 36 -3.060 3.332 15.265 284 HG SER 36 HG SER 36 -4.772 5.498 15.927 285 H PHE 37 H PHE 37 -3.008 3.108 11.980 286 HA PHE 37 HA PHE 37 -0.871 5.111 12.065 287 1HB PHE 37 1HB PHE 37 -1.031 2.233 10.982 288 2HB PHE 37 2HB PHE 37 0.425 3.207 10.976 289 HD1 PHE 37 1HD PHE 37 -2.137 1.914 13.364 290 HD2 PHE 37 2HD PHE 37 1.924 2.966 12.718 291 HE1 PHE 37 1HE PHE 37 -1.551 1.054 15.648 292 HE2 PHE 37 2HE PHE 37 2.509 2.106 15.002 293 HZ PHE 37 HZ PHE 37 0.765 1.160 16.440 294 H TYR 38 H TYR 38 -2.935 3.118 9.856 295 HA TYR 38 HA TYR 38 -2.026 4.689 7.591 296 1HB TYR 38 1HB TYR 38 -3.435 2.136 8.261 297 2HB TYR 38 2HB TYR 38 -4.168 2.958 6.898 298 HD1 TYR 38 1HD TYR 38 -1.678 0.663 7.864 299 HD2 TYR 38 2HD TYR 38 -2.450 3.774 5.030 300 HE1 TYR 38 1HE TYR 38 0.106 -0.289 6.322 301 HE2 TYR 38 2HE TYR 38 -0.664 2.811 3.498 302 HH TYR 38 HH TYR 38 1.627 1.128 4.240 303 H GLY 39 H GLY 39 -4.946 4.180 9.628 304 1HA GLY 39 1HA GLY 39 -6.903 5.398 8.196 305 2HA GLY 39 2HA GLY 39 -6.739 5.516 9.936 306 H SER 40 H SER 40 -7.902 7.658 8.757 307 HA SER 40 HA SER 40 -6.581 9.592 7.570 308 1HB SER 40 1HB SER 40 -8.944 9.615 8.592 309 2HB SER 40 2HB SER 40 -8.202 10.150 10.086 310 HG SER 40 HG SER 40 -7.692 11.539 7.615 311 H GLY 41 H GLY 41 -4.901 11.055 7.960 312 1HA GLY 41 1HA GLY 41 -2.913 11.632 8.899 313 2HA GLY 41 2HA GLY 41 -3.963 12.147 10.204 314 H GLY 42 H GLY 42 -2.003 9.401 8.954 315 1HA GLY 42 1HA GLY 42 -1.457 8.617 11.724 316 2HA GLY 42 2HA GLY 42 -2.160 7.418 10.655 317 H ASP 43 H ASP 43 0.179 6.595 11.537 318 HA ASP 43 HA ASP 43 2.516 7.464 10.706 319 1HB ASP 43 1HB ASP 43 1.362 4.898 11.341 320 2HB ASP 43 2HB ASP 43 2.424 4.667 9.966 321 H TYR 44 H TYR 44 0.216 5.454 8.720 322 HA TYR 44 HA TYR 44 1.771 6.159 6.333 323 1HB TYR 44 1HB TYR 44 -0.540 4.183 6.477 324 2HB TYR 44 2HB TYR 44 0.909 4.077 5.497 325 HD1 TYR 44 1HD TYR 44 3.175 3.882 6.975 326 HD2 TYR 44 2HD TYR 44 -0.735 2.692 8.240 327 HE1 TYR 44 1HE TYR 44 4.200 2.293 8.674 328 HE2 TYR 44 2HE TYR 44 0.304 1.107 9.935 329 HH TYR 44 HH TYR 44 3.713 1.161 10.599 330 H SER 45 H SER 45 0.536 8.378 6.942 331 HA SER 45 HA SER 45 -2.190 8.407 6.216 332 1HB SER 45 1HB SER 45 -0.714 10.072 7.687 333 2HB SER 45 2HB SER 45 -0.451 10.875 6.152 334 HG SER 45 HG SER 45 -3.006 10.327 7.403 335 H MET 46 H MET 46 0.935 8.859 4.561 336 HA MET 46 HA MET 46 -0.310 9.938 2.228 337 1HB MET 46 1HB MET 46 2.116 9.600 1.332 338 2HB MET 46 2HB MET 46 1.930 10.708 2.677 339 1HG MET 46 1HG MET 46 2.359 7.849 3.445 340 2HG MET 46 2HG MET 46 3.717 8.614 2.642 341 1HE MET 46 1HE MET 46 4.312 11.785 4.651 342 2HE MET 46 2HE MET 46 3.782 11.250 3.038 343 3HE MET 46 3HE MET 46 2.596 11.900 4.194 344 H PHE 47 H PHE 47 0.741 6.779 3.465 345 HA PHE 47 HA PHE 47 0.716 5.504 0.920 346 1HB PHE 47 1HB PHE 47 0.411 4.387 3.771 347 2HB PHE 47 2HB PHE 47 0.965 3.482 2.376 348 HD1 PHE 47 1HD PHE 47 2.534 6.327 1.664 349 HD2 PHE 47 2HD PHE 47 2.570 3.413 4.749 350 HE1 PHE 47 1HE PHE 47 4.907 6.935 2.211 351 HE2 PHE 47 2HE PHE 47 4.943 4.021 5.296 352 HZ PHE 47 HZ PHE 47 6.083 5.775 4.021 353 H ALA 48 H ALA 48 -1.634 6.098 3.547 354 HA ALA 48 HA ALA 48 -3.521 4.199 2.996 355 1HB ALA 48 1HB ALA 48 -4.270 7.060 3.619 356 2HB ALA 48 2HB ALA 48 -4.974 5.551 4.246 357 3HB ALA 48 3HB ALA 48 -3.369 6.082 4.802 358 H GLY 49 H GLY 49 -4.823 3.727 1.289 359 1HA GLY 49 1HA GLY 49 -5.891 3.920 -0.678 360 2HA GLY 49 2HA GLY 49 -6.036 5.638 -0.364 361 H LYS 50 H LYS 50 -2.900 3.908 -0.547 362 HA LYS 50 HA LYS 50 -2.461 4.653 -3.271 363 1HB LYS 50 1HB LYS 50 -1.154 6.235 -1.049 364 2HB LYS 50 2HB LYS 50 -0.450 6.108 -2.649 365 1HG LYS 50 1HG LYS 50 -2.883 6.813 -3.468 366 2HG LYS 50 2HG LYS 50 -3.061 7.405 -1.829 367 1HD LYS 50 1HD LYS 50 -0.475 8.223 -2.923 368 2HD LYS 50 2HD LYS 50 -1.769 8.713 -3.998 369 1HE LYS 50 1HE LYS 50 -2.233 9.193 -1.073 370 2HE LYS 50 2HE LYS 50 -0.995 10.177 -1.828 371 1HZ LYS 50 1HZ LYS 50 -2.620 11.394 -2.639 372 2HZ LYS 50 2HZ LYS 50 -3.122 10.143 -3.561 373 3HZ LYS 50 3HZ LYS 50 -3.771 10.379 -2.081 374 H ASP 51 H ASP 51 -0.441 3.748 -4.092 375 HA ASP 51 HA ASP 51 0.243 1.424 -2.564 376 1HB ASP 51 1HB ASP 51 -0.167 1.272 -5.010 377 2HB ASP 51 2HB ASP 51 1.131 2.409 -5.316 378 H ALA 52 H ALA 52 1.473 2.493 -0.810 379 HA ALA 52 HA ALA 52 3.721 4.134 -1.494 380 1HB ALA 52 1HB ALA 52 4.094 4.026 0.996 381 2HB ALA 52 2HB ALA 52 2.473 4.594 0.529 382 3HB ALA 52 3HB ALA 52 2.700 2.925 1.105 383 H SER 53 H SER 53 4.173 1.986 -3.011 384 HA SER 53 HA SER 53 5.512 -0.070 -1.613 385 1HB SER 53 1HB SER 53 5.032 0.669 -4.485 386 2HB SER 53 2HB SER 53 6.371 -0.414 -4.157 387 HG SER 53 HG SER 53 4.450 -1.436 -2.694 388 H ARG 54 H ARG 54 6.524 2.752 -3.658 389 HA ARG 54 HA ARG 54 9.235 2.224 -3.457 390 1HB ARG 54 1HB ARG 54 8.168 5.053 -3.697 391 2HB ARG 54 2HB ARG 54 9.536 4.329 -4.519 392 1HG ARG 54 1HG ARG 54 7.402 2.732 -5.367 393 2HG ARG 54 2HG ARG 54 6.673 4.323 -5.271 394 1HD ARG 54 1HD ARG 54 9.378 4.076 -6.597 395 2HD ARG 54 2HD ARG 54 7.970 3.518 -7.480 396 HE ARG 54 HE ARG 54 7.295 6.064 -6.458 397 1HH1 ARG 54 2HH2 ARG 54 9.660 4.706 -8.681 398 2HH1 ARG 54 1HH2 ARG 54 9.784 6.148 -9.632 399 1HH2 ARG 54 2HH1 ARG 54 7.458 7.968 -7.712 400 2HH2 ARG 54 1HH1 ARG 54 8.523 8.016 -9.077 401 H ALA 55 H ALA 55 6.987 4.312 -1.537 402 HA ALA 55 HA ALA 55 8.913 5.500 0.085 403 1HB ALA 55 1HB ALA 55 6.055 5.368 -0.165 404 2HB ALA 55 2HB ALA 55 6.482 5.107 1.543 405 3HB ALA 55 3HB ALA 55 7.040 6.572 0.699 406 H LEU 56 H LEU 56 7.375 2.289 0.127 407 HA LEU 56 HA LEU 56 8.167 1.674 2.782 408 1HB LEU 56 1HB LEU 56 6.938 0.265 0.478 409 2HB LEU 56 2HB LEU 56 7.769 -0.731 1.656 410 HG LEU 56 HG LEU 56 5.508 1.197 2.257 411 1HD1 LEU 56 1HD1 LEU 56 4.903 -0.863 0.947 412 2HD1 LEU 56 2HD1 LEU 56 5.454 -1.827 2.338 413 3HD1 LEU 56 3HD1 LEU 56 4.091 -0.698 2.523 414 1HD2 LEU 56 1HD2 LEU 56 6.303 1.172 4.339 415 2HD2 LEU 56 2HD2 LEU 56 5.763 -0.523 4.407 416 3HD2 LEU 56 3HD2 LEU 56 7.449 -0.142 3.980 417 H GLY 57 H GLY 57 9.504 1.017 -0.511 418 1HA GLY 57 1HA GLY 57 11.624 -0.611 0.207 419 2HA GLY 57 2HA GLY 57 11.581 0.470 -1.172 420 H LYS 58 H LYS 58 12.156 2.819 -0.795 421 HA LYS 58 HA LYS 58 14.592 3.014 0.512 422 1HB LYS 58 1HB LYS 58 12.788 5.354 -0.124 423 2HB LYS 58 2HB LYS 58 14.539 5.312 -0.084 424 1HG LYS 58 1HG LYS 58 14.365 5.009 -2.346 425 2HG LYS 58 2HG LYS 58 14.056 3.335 -1.930 426 1HD LYS 58 1HD LYS 58 11.881 3.457 -2.602 427 2HD LYS 58 2HD LYS 58 11.609 4.953 -1.730 428 1HE LYS 58 1HE LYS 58 13.355 5.419 -4.035 429 2HE LYS 58 2HE LYS 58 11.872 4.634 -4.541 430 1HZ LYS 58 1HZ LYS 58 10.920 6.593 -4.348 431 2HZ LYS 58 2HZ LYS 58 11.130 6.545 -2.730 432 3HZ LYS 58 3HZ LYS 58 12.245 7.273 -3.676 433 H MET 59 H MET 59 11.375 2.976 1.773 434 HA MET 59 HA MET 59 10.644 3.066 3.826 435 1HB MET 59 1HB MET 59 13.425 3.831 4.838 436 2HB MET 59 2HB MET 59 12.174 2.969 5.712 437 1HG MET 59 1HG MET 59 12.415 1.130 3.862 438 2HG MET 59 2HG MET 59 13.909 1.939 3.433 439 1HE MET 59 1HE MET 59 12.824 -0.771 6.714 440 2HE MET 59 2HE MET 59 12.187 -0.455 5.082 441 3HE MET 59 3HE MET 59 13.689 -1.388 5.285 442 H SER 60 H SER 60 10.565 5.361 2.112 443 HA SER 60 HA SER 60 10.977 7.515 4.029 444 1HB SER 60 1HB SER 60 11.880 7.378 1.461 445 2HB SER 60 2HB SER 60 10.323 8.127 1.171 446 HG SER 60 HG SER 60 11.412 9.926 1.647 447 H LYS 61 H LYS 61 9.229 8.988 4.473 448 HA LYS 61 HA LYS 61 6.626 7.814 3.937 449 1HB LYS 61 1HB LYS 61 7.784 9.642 5.982 450 2HB LYS 61 2HB LYS 61 6.100 9.891 5.570 451 1HG LYS 61 1HG LYS 61 5.850 7.298 5.861 452 2HG LYS 61 2HG LYS 61 7.405 7.373 6.667 453 1HD LYS 61 1HD LYS 61 5.645 9.480 7.676 454 2HD LYS 61 2HD LYS 61 4.852 7.922 7.796 455 1HE LYS 61 1HE LYS 61 7.160 7.099 8.795 456 2HE LYS 61 2HE LYS 61 7.469 8.805 9.053 457 1HZ LYS 61 1HZ LYS 61 4.873 8.063 9.900 458 2HZ LYS 61 2HZ LYS 61 6.023 7.192 10.666 459 3HZ LYS 61 3HZ LYS 61 6.055 8.824 10.731 460 H ASN 62 H ASN 62 8.415 9.296 1.907 461 HA ASN 62 HA ASN 62 7.300 11.779 1.441 462 1HB ASN 62 1HB ASN 62 8.742 9.725 -0.271 463 2HB ASN 62 2HB ASN 62 8.057 11.140 -1.046 464 1HD2 ASN 62 1HD2 ASN 62 9.632 12.486 -1.473 465 2HD2 ASN 62 2HD2 ASN 62 10.878 13.017 -0.393 466 H GLU 63 H GLU 63 5.378 12.397 0.367 467 HA GLU 63 HA GLU 63 3.488 10.345 -0.108 468 1HB GLU 63 1HB GLU 63 3.204 12.860 0.728 469 2HB GLU 63 2HB GLU 63 3.065 13.204 -0.984 470 1HG GLU 63 1HG GLU 63 1.427 10.926 -0.576 471 2HG GLU 63 2HG GLU 63 1.121 11.947 0.816 472 H GLU 64 H GLU 64 5.932 11.942 -1.987 473 HA GLU 64 HA GLU 64 4.550 11.450 -4.464 474 1HB GLU 64 1HB GLU 64 7.354 12.247 -4.724 475 2HB GLU 64 2HB GLU 64 5.912 13.053 -5.309 476 1HG GLU 64 1HG GLU 64 6.661 14.632 -3.766 477 2HG GLU 64 2HG GLU 64 5.577 13.702 -2.750 478 H ASP 65 H ASP 65 6.809 9.909 -2.295 479 HA ASP 65 HA ASP 65 8.220 8.409 -4.160 480 1HB ASP 65 1HB ASP 65 7.678 8.311 -1.217 481 2HB ASP 65 2HB ASP 65 8.193 6.799 -1.937 482 H VAL 66 H VAL 66 5.264 7.777 -2.142 483 HA VAL 66 HA VAL 66 4.801 5.165 -2.795 484 HB VAL 66 HB VAL 66 3.399 5.919 -1.189 485 1HG1 VAL 66 1HG1 VAL 66 3.616 8.159 -0.921 486 2HG1 VAL 66 2HG1 VAL 66 3.544 8.486 -2.669 487 3HG1 VAL 66 3HG1 VAL 66 2.044 8.199 -1.755 488 1HG2 VAL 66 1HG2 VAL 66 2.123 5.105 -3.445 489 2HG2 VAL 66 2HG2 VAL 66 1.303 5.449 -1.903 490 3HG2 VAL 66 3HG2 VAL 66 1.345 6.684 -3.185 491 H SER 67 H SER 67 4.371 4.075 -4.644 492 HA SER 67 HA SER 67 3.001 5.508 -6.741 493 1HB SER 67 1HB SER 67 4.616 5.002 -8.448 494 2HB SER 67 2HB SER 67 5.500 5.745 -7.129 495 HG SER 67 HG SER 67 5.563 3.169 -6.537 496 HA PRO 68 HA PRO 68 1.165 1.544 -6.879 497 1HB PRO 68 1HB PRO 68 -0.574 1.959 -8.946 498 2HB PRO 68 2HB PRO 68 -0.914 2.442 -7.296 499 1HG PRO 68 1HG PRO 68 -0.141 4.127 -9.599 500 2HG PRO 68 2HG PRO 68 -0.886 4.608 -8.087 501 1HD PRO 68 1HD PRO 68 1.866 4.939 -8.827 502 2HD PRO 68 2HD PRO 68 1.146 5.313 -7.274 503 H SER 69 H SER 69 3.505 2.568 -8.768 504 HA SER 69 HA SER 69 3.594 0.003 -10.063 505 1HB SER 69 1HB SER 69 2.523 1.993 -11.548 506 2HB SER 69 2HB SER 69 4.215 2.344 -11.841 507 HG SER 69 HG SER 69 4.113 0.795 -13.310 508 H LEU 70 H LEU 70 5.551 -0.721 -9.298 509 HA LEU 70 HA LEU 70 7.520 0.586 -8.123 510 1HB LEU 70 1HB LEU 70 9.082 -1.136 -9.225 511 2HB LEU 70 2HB LEU 70 7.781 -1.682 -8.187 512 HG LEU 70 HG LEU 70 7.252 -1.527 -11.126 513 1HD1 LEU 70 1HD1 LEU 70 9.266 -3.302 -9.854 514 2HD1 LEU 70 2HD1 LEU 70 8.138 -4.054 -11.008 515 3HD1 LEU 70 3HD1 LEU 70 9.157 -2.687 -11.521 516 1HD2 LEU 70 1HD2 LEU 70 5.932 -2.539 -8.836 517 2HD2 LEU 70 2HD2 LEU 70 5.419 -2.625 -10.538 518 3HD2 LEU 70 3HD2 LEU 70 6.393 -3.938 -9.834 519 H GLU 71 H GLU 71 7.141 0.328 -11.711 520 HA GLU 71 HA GLU 71 9.018 1.197 -12.987 521 1HB GLU 71 1HB GLU 71 6.444 2.762 -12.712 522 2HB GLU 71 2HB GLU 71 7.683 3.331 -13.814 523 1HG GLU 71 1HG GLU 71 6.898 0.416 -13.931 524 2HG GLU 71 2HG GLU 71 5.797 1.598 -14.612 525 H GLY 72 H GLY 72 10.811 1.682 -11.530 526 1HA GLY 72 1HA GLY 72 12.097 3.871 -11.507 527 2HA GLY 72 2HA GLY 72 10.798 4.441 -10.478 528 H LEU 73 H LEU 73 10.326 1.915 -9.051 529 HA LEU 73 HA LEU 73 11.872 2.214 -6.869 530 1HB LEU 73 1HB LEU 73 10.072 0.242 -7.933 531 2HB LEU 73 2HB LEU 73 11.388 -0.557 -7.095 532 HG LEU 73 HG LEU 73 10.521 1.596 -5.441 533 1HD1 LEU 73 1HD1 LEU 73 8.433 1.640 -6.675 534 2HD1 LEU 73 2HD1 LEU 73 8.234 -0.115 -6.456 535 3HD1 LEU 73 3HD1 LEU 73 8.170 0.971 -5.047 536 1HD2 LEU 73 1HD2 LEU 73 10.167 -0.118 -3.821 537 2HD2 LEU 73 2HD2 LEU 73 10.005 -1.364 -5.082 538 3HD2 LEU 73 3HD2 LEU 73 11.580 -0.585 -4.798 539 H THR 74 H THR 74 14.036 2.287 -6.623 540 HA THR 74 HA THR 74 15.756 1.012 -8.521 541 HB THR 74 HB THR 74 17.454 2.241 -7.371 542 HG1 THR 74 1HG THR 74 17.362 2.135 -5.160 543 1HG2 THR 74 1HG2 THR 74 14.967 3.573 -7.826 544 2HG2 THR 74 2HG2 THR 74 15.515 4.092 -6.214 545 3HG2 THR 74 3HG2 THR 74 16.566 4.330 -7.631 546 H GLU 75 H GLU 75 17.869 0.017 -7.072 547 HA GLU 75 HA GLU 75 16.865 -2.542 -6.501 548 1HB GLU 75 1HB GLU 75 19.448 -1.271 -6.910 549 2HB GLU 75 2HB GLU 75 19.532 -2.327 -5.514 550 1HG GLU 75 1HG GLU 75 18.086 -3.866 -7.342 551 2HG GLU 75 2HG GLU 75 19.213 -3.015 -8.379 552 H LYS 76 H LYS 76 18.122 0.194 -4.514 553 HA LYS 76 HA LYS 76 18.257 -1.066 -2.079 554 1HB LYS 76 1HB LYS 76 18.963 0.977 -1.571 555 2HB LYS 76 2HB LYS 76 18.361 1.592 -3.098 556 1HG LYS 76 1HG LYS 76 16.094 1.896 -2.086 557 2HG LYS 76 2HG LYS 76 16.687 1.270 -0.560 558 1HD LYS 76 1HD LYS 76 17.968 3.679 -1.917 559 2HD LYS 76 2HD LYS 76 16.606 3.848 -0.828 560 1HE LYS 76 1HE LYS 76 17.845 3.259 1.055 561 2HE LYS 76 2HE LYS 76 18.907 2.189 0.161 562 1HZ LYS 76 1HZ LYS 76 19.070 5.062 0.479 563 2HZ LYS 76 2HZ LYS 76 20.260 3.945 0.505 564 3HZ LYS 76 3HZ LYS 76 19.625 4.427 -0.920 565 H GLU 77 H GLU 77 15.416 0.586 -3.613 566 HA GLU 77 HA GLU 77 13.737 -0.177 -1.468 567 1HB GLU 77 1HB GLU 77 11.932 0.584 -3.240 568 2HB GLU 77 2HB GLU 77 12.986 1.772 -2.501 569 1HG GLU 77 1HG GLU 77 14.227 0.565 -4.881 570 2HG GLU 77 2HG GLU 77 12.678 1.289 -5.263 571 H ILE 78 H ILE 78 14.401 -1.362 -4.805 572 HA ILE 78 HA ILE 78 12.360 -3.176 -5.052 573 HB ILE 78 HB ILE 78 15.122 -2.919 -6.127 574 1HG1 ILE 78 1HG1 ILE 78 12.621 -2.023 -6.888 575 2HG1 ILE 78 2HG1 ILE 78 14.062 -2.053 -7.886 576 1HG2 ILE 78 1HG2 ILE 78 15.088 -5.280 -5.792 577 2HG2 ILE 78 2HG2 ILE 78 13.422 -5.408 -6.404 578 3HG2 ILE 78 3HG2 ILE 78 14.747 -4.978 -7.513 579 1HD1 ILE 78 1HD1 ILE 78 12.007 -3.180 -8.902 580 2HD1 ILE 78 2HD1 ILE 78 13.472 -4.190 -8.851 581 3HD1 ILE 78 3HD1 ILE 78 12.177 -4.438 -7.654 582 H ASN 79 H ASN 79 15.227 -3.253 -2.983 583 HA ASN 79 HA ASN 79 14.935 -6.045 -2.478 584 1HB ASN 79 1HB ASN 79 16.763 -3.823 -1.575 585 2HB ASN 79 2HB ASN 79 16.612 -5.199 -0.500 586 1HD2 ASN 79 1HD2 ASN 79 18.502 -3.966 -2.753 587 2HD2 ASN 79 2HD2 ASN 79 19.130 -5.375 -3.541 588 H THR 80 H THR 80 14.403 -2.874 -0.797 589 HA THR 80 HA THR 80 13.351 -4.105 1.567 590 HB THR 80 HB THR 80 13.484 -1.240 0.496 591 HG1 THR 80 1HG THR 80 15.377 -1.321 1.713 592 1HG2 THR 80 1HG2 THR 80 12.283 -2.412 3.000 593 2HG2 THR 80 2HG2 THR 80 13.298 -0.962 3.187 594 3HG2 THR 80 3HG2 THR 80 11.857 -0.912 2.143 595 H LEU 81 H LEU 81 11.955 -2.403 -1.297 596 HA LEU 81 HA LEU 81 9.325 -2.467 -0.421 597 1HB LEU 81 1HB LEU 81 9.843 -1.066 -2.204 598 2HB LEU 81 2HB LEU 81 10.652 -2.332 -3.106 599 HG LEU 81 HG LEU 81 8.384 -1.531 -3.957 600 1HD1 LEU 81 1HD1 LEU 81 7.916 -4.373 -3.771 601 2HD1 LEU 81 2HD1 LEU 81 8.438 -3.393 -5.162 602 3HD1 LEU 81 3HD1 LEU 81 9.646 -4.040 -4.026 603 1HD2 LEU 81 1HD2 LEU 81 7.468 -1.767 -1.487 604 2HD2 LEU 81 2HD2 LEU 81 6.422 -2.039 -2.901 605 3HD2 LEU 81 3HD2 LEU 81 7.114 -3.426 -2.027 606 H ASN 82 H ASN 82 11.128 -4.821 -2.517 607 HA ASN 82 HA ASN 82 9.157 -6.566 -2.987 608 1HB ASN 82 1HB ASN 82 12.123 -6.782 -2.606 609 2HB ASN 82 2HB ASN 82 11.254 -8.301 -2.508 610 1HD2 ASN 82 1HD2 ASN 82 11.006 -5.308 -4.433 611 2HD2 ASN 82 2HD2 ASN 82 10.941 -6.056 -5.993 612 H ASP 83 H ASP 83 11.521 -6.740 -0.206 613 HA ASP 83 HA ASP 83 10.324 -8.834 1.079 614 1HB ASP 83 1HB ASP 83 12.434 -6.993 1.559 615 2HB ASP 83 2HB ASP 83 11.391 -6.854 2.961 616 H TRP 84 H TRP 84 9.668 -5.304 1.099 617 HA TRP 84 HA TRP 84 8.047 -5.171 3.354 618 1HB TRP 84 1HB TRP 84 8.649 -3.516 1.012 619 2HB TRP 84 2HB TRP 84 7.021 -3.290 1.623 620 HD1 TRP 84 HD TRP 84 9.958 -1.459 1.979 621 HE1 TRP 84 1HE TRP 84 10.403 -0.338 4.327 622 HE3 TRP 84 3HE TRP 84 6.702 -4.376 4.576 623 HZ2 TRP 84 2HZ TRP 84 9.366 -0.787 6.947 624 HZ3 TRP 84 3HZ TRP 84 6.477 -3.969 7.025 625 HH2 TRP 84 HH TRP 84 7.744 -2.248 8.211 626 H GLU 85 H GLU 85 7.320 -5.855 -0.131 627 HA GLU 85 HA GLU 85 4.590 -6.023 0.157 628 1HB GLU 85 1HB GLU 85 5.167 -5.993 -2.069 629 2HB GLU 85 2HB GLU 85 6.623 -6.935 -1.822 630 1HG GLU 85 1HG GLU 85 3.894 -8.231 -1.512 631 2HG GLU 85 2HG GLU 85 4.595 -8.021 -3.104 632 H THR 86 H THR 86 7.139 -8.586 0.402 633 HA THR 86 HA THR 86 5.335 -10.697 0.873 634 HB THR 86 HB THR 86 8.304 -10.171 1.208 635 HG1 THR 86 1HG THR 86 8.222 -11.709 -0.512 636 1HG2 THR 86 1HG2 THR 86 6.760 -12.169 2.700 637 2HG2 THR 86 2HG2 THR 86 7.829 -12.955 1.514 638 3HG2 THR 86 3HG2 THR 86 8.512 -11.858 2.739 639 H LYS 87 H LYS 87 6.786 -8.227 2.979 640 HA LYS 87 HA LYS 87 6.027 -9.605 5.367 641 1HB LYS 87 1HB LYS 87 6.991 -6.772 4.876 642 2HB LYS 87 2HB LYS 87 6.736 -7.480 6.459 643 1HG LYS 87 1HG LYS 87 8.540 -8.975 6.243 644 2HG LYS 87 2HG LYS 87 8.467 -8.982 4.492 645 1HD LYS 87 1HD LYS 87 10.452 -7.720 5.456 646 2HD LYS 87 2HD LYS 87 9.475 -6.789 4.338 647 1HE LYS 87 1HE LYS 87 9.079 -5.231 5.938 648 2HE LYS 87 2HE LYS 87 8.342 -6.443 6.967 649 1HZ LYS 87 1HZ LYS 87 11.045 -6.872 7.095 650 2HZ LYS 87 2HZ LYS 87 10.862 -5.253 7.207 651 3HZ LYS 87 3HZ LYS 87 10.093 -6.237 8.260 652 H PHE 88 H PHE 88 4.750 -6.889 3.364 653 HA PHE 88 HA PHE 88 2.601 -6.361 5.125 654 1HB PHE 88 1HB PHE 88 3.778 -5.470 2.594 655 2HB PHE 88 2HB PHE 88 2.050 -5.649 2.365 656 HD1 PHE 88 1HD PHE 88 4.292 -4.300 5.043 657 HD2 PHE 88 2HD PHE 88 0.856 -3.708 2.624 658 HE1 PHE 88 1HE PHE 88 3.917 -2.065 6.122 659 HE2 PHE 88 2HE PHE 88 0.481 -1.473 3.703 660 HZ PHE 88 HZ PHE 88 2.017 -0.678 5.439 661 H GLU 89 H GLU 89 2.995 -8.314 2.111 662 HA GLU 89 HA GLU 89 0.254 -8.940 1.983 663 1HB GLU 89 1HB GLU 89 0.797 -10.022 0.022 664 2HB GLU 89 2HB GLU 89 2.239 -9.039 0.178 665 1HG GLU 89 1HG GLU 89 3.494 -10.924 0.228 666 2HG GLU 89 2HG GLU 89 2.732 -11.372 1.741 667 H ALA 90 H ALA 90 2.906 -10.060 3.917 668 HA ALA 90 HA ALA 90 1.544 -12.594 4.462 669 1HB ALA 90 1HB ALA 90 3.661 -13.245 5.506 670 2HB ALA 90 2HB ALA 90 3.962 -12.629 3.863 671 3HB ALA 90 3HB ALA 90 4.307 -11.602 5.275 672 H LYS 91 H LYS 91 1.863 -9.353 5.568 673 HA LYS 91 HA LYS 91 1.186 -10.165 8.302 674 1HB LYS 91 1HB LYS 91 2.356 -7.610 7.177 675 2HB LYS 91 2HB LYS 91 1.741 -7.737 8.812 676 1HG LYS 91 1HG LYS 91 3.555 -9.964 8.096 677 2HG LYS 91 2HG LYS 91 4.330 -8.396 7.985 678 1HD LYS 91 1HD LYS 91 2.906 -8.194 10.381 679 2HD LYS 91 2HD LYS 91 3.406 -9.873 10.381 680 1HE LYS 91 1HE LYS 91 5.560 -9.311 10.844 681 2HE LYS 91 2HE LYS 91 5.621 -8.192 9.497 682 1HZ LYS 91 1HZ LYS 91 5.284 -7.636 12.230 683 2HZ LYS 91 2HZ LYS 91 5.597 -6.604 11.003 684 3HZ LYS 91 3HZ LYS 91 4.053 -6.986 11.375 685 H TYR 92 H TYR 92 0.324 -7.700 5.772 686 HA TYR 92 HA TYR 92 -2.263 -7.366 7.031 687 1HB TYR 92 1HB TYR 92 -0.635 -6.209 4.707 688 2HB TYR 92 2HB TYR 92 -2.336 -5.810 4.842 689 HD1 TYR 92 1HD TYR 92 0.640 -4.369 5.313 690 HD2 TYR 92 2HD TYR 92 -2.800 -5.354 7.657 691 HE1 TYR 92 1HE TYR 92 1.204 -2.498 6.939 692 HE2 TYR 92 2HE TYR 92 -2.225 -3.480 9.275 693 HH TYR 92 HH TYR 92 0.490 -2.237 9.699 694 HA PRO 93 HA PRO 93 -4.277 -10.098 4.335 695 1HB PRO 93 1HB PRO 93 -6.867 -9.331 4.749 696 2HB PRO 93 2HB PRO 93 -6.001 -10.404 5.830 697 1HG PRO 93 1HG PRO 93 -6.686 -7.552 6.204 698 2HG PRO 93 2HG PRO 93 -6.215 -8.735 7.408 699 1HD PRO 93 1HD PRO 93 -4.571 -6.657 6.307 700 2HD PRO 93 2HD PRO 93 -4.068 -7.911 7.424 701 H VAL 94 H VAL 94 -4.560 -10.289 2.192 702 HA VAL 94 HA VAL 94 -4.906 -7.733 0.836 703 HB VAL 94 HB VAL 94 -3.160 -8.682 -0.205 704 1HG1 VAL 94 1HG1 VAL 94 -2.853 -10.537 1.274 705 2HG1 VAL 94 2HG1 VAL 94 -4.268 -11.386 0.607 706 3HG1 VAL 94 3HG1 VAL 94 -2.806 -11.175 -0.387 707 1HG2 VAL 94 1HG2 VAL 94 -4.840 -8.574 -1.955 708 2HG2 VAL 94 2HG2 VAL 94 -3.804 -9.999 -2.210 709 3HG2 VAL 94 3HG2 VAL 94 -5.437 -10.196 -1.528 710 H VAL 95 H VAL 95 -7.002 -7.142 0.555 711 HA VAL 95 HA VAL 95 -9.028 -9.171 0.317 712 HB VAL 95 HB VAL 95 -10.560 -7.306 0.330 713 1HG1 VAL 95 1HG1 VAL 95 -8.322 -7.310 2.343 714 2HG1 VAL 95 2HG1 VAL 95 -9.640 -6.120 2.471 715 3HG1 VAL 95 3HG1 VAL 95 -10.006 -7.861 2.516 716 1HG2 VAL 95 1HG2 VAL 95 -9.999 -5.363 -0.610 717 2HG2 VAL 95 2HG2 VAL 95 -8.923 -5.045 0.771 718 3HG2 VAL 95 3HG2 VAL 95 -8.287 -5.846 -0.686 719 H GLY 96 H GLY 96 -6.715 -8.134 -1.768 720 1HA GLY 96 1HA GLY 96 -7.602 -9.230 -4.041 721 2HA GLY 96 2HA GLY 96 -8.388 -7.664 -4.093 722 H ARG 97 H ARG 97 -6.731 -7.973 -6.134 723 HA ARG 97 HA ARG 97 -4.243 -6.736 -5.268 724 1HB ARG 97 1HB ARG 97 -3.106 -7.843 -7.002 725 2HB ARG 97 2HB ARG 97 -4.320 -9.037 -6.590 726 1HG ARG 97 1HG ARG 97 -5.013 -8.981 -8.748 727 2HG ARG 97 2HG ARG 97 -5.612 -7.360 -8.460 728 1HD ARG 97 1HD ARG 97 -3.291 -6.469 -9.016 729 2HD ARG 97 2HD ARG 97 -2.816 -8.101 -9.445 730 HE ARG 97 HE ARG 97 -5.154 -7.645 -10.911 731 1HH1 ARG 97 2HH2 ARG 97 -2.007 -6.092 -10.651 732 2HH1 ARG 97 1HH2 ARG 97 -2.020 -5.503 -12.280 733 1HH2 ARG 97 2HH1 ARG 97 -5.171 -6.869 -13.061 734 2HH2 ARG 97 1HH1 ARG 97 -3.832 -5.949 -13.660 735 H VAL 98 H VAL 98 -3.575 -4.784 -6.301 736 HA VAL 98 HA VAL 98 -5.502 -3.057 -7.173 737 HB VAL 98 HB VAL 98 -2.527 -3.216 -7.425 738 1HG1 VAL 98 1HG1 VAL 98 -2.416 -1.046 -8.520 739 2HG1 VAL 98 2HG1 VAL 98 -3.303 -2.197 -9.548 740 3HG1 VAL 98 3HG1 VAL 98 -4.192 -0.971 -8.613 741 1HG2 VAL 98 1HG2 VAL 98 -2.952 -0.917 -6.189 742 2HG2 VAL 98 2HG2 VAL 98 -4.549 -1.637 -5.871 743 3HG2 VAL 98 3HG2 VAL 98 -3.074 -2.464 -5.317 744 H VAL 99 H VAL 99 -5.622 -1.979 -9.413 745 HA VAL 99 HA VAL 99 -5.051 -3.782 -11.599 746 HB VAL 99 HB VAL 99 -7.637 -3.221 -12.194 747 1HG1 VAL 99 1HG1 VAL 99 -6.207 -5.422 -12.120 748 2HG1 VAL 99 2HG1 VAL 99 -7.054 -5.687 -10.578 749 3HG1 VAL 99 3HG1 VAL 99 -7.984 -5.507 -12.085 750 1HG2 VAL 99 1HG2 VAL 99 -9.073 -3.279 -10.396 751 2HG2 VAL 99 2HG2 VAL 99 -7.902 -4.105 -9.341 752 3HG2 VAL 99 3HG2 VAL 99 -7.716 -2.370 -9.689 753 H SER 100 H SER 100 -7.392 -1.055 -11.138 754 HA SER 100 HA SER 100 -7.461 0.953 -11.959 755 1HB SER 100 1HB SER 100 -5.388 1.521 -10.919 756 2HB SER 100 2HB SER 100 -4.453 0.572 -12.057 757 HG SER 100 HG SER 100 -4.184 2.648 -12.779 Start of MODEL 7 1 1H GLY -1 H GLY -1 -11.458 -14.308 -9.757 2 1HA GLY -1 1HA GLY -1 -8.817 -13.929 -8.918 3 2HA GLY -1 2HA GLY -1 -9.280 -12.531 -9.868 4 HA PRO 0 HA PRO 0 -10.930 -12.097 -5.594 5 1HB PRO 0 1HB PRO 0 -9.304 -10.107 -4.666 6 2HB PRO 0 2HB PRO 0 -9.024 -11.804 -4.336 7 1HG PRO 0 1HG PRO 0 -7.600 -10.024 -6.217 8 2HG PRO 0 2HG PRO 0 -7.086 -11.566 -5.563 9 1HD PRO 0 1HD PRO 0 -8.105 -11.072 -8.199 10 2HD PRO 0 2HD PRO 0 -7.701 -12.631 -7.506 11 H MET 1 H MET 1 -11.111 -9.531 -4.479 12 HA MET 1 HA MET 1 -13.167 -8.571 -6.108 13 1HB MET 1 1HB MET 1 -11.637 -7.463 -3.701 14 2HB MET 1 2HB MET 1 -12.944 -6.556 -4.437 15 1HG MET 1 1HG MET 1 -14.460 -8.569 -4.089 16 2HG MET 1 2HG MET 1 -13.152 -9.358 -3.230 17 1HE MET 1 1HE MET 1 -16.352 -7.124 -1.640 18 2HE MET 1 2HE MET 1 -15.610 -5.863 -2.653 19 3HE MET 1 3HE MET 1 -15.984 -7.458 -3.349 20 H GLU 2 H GLU 2 -9.710 -7.748 -5.746 21 HA GLU 2 HA GLU 2 -8.400 -6.363 -6.788 22 1HB GLU 2 1HB GLU 2 -10.427 -6.683 -9.044 23 2HB GLU 2 2HB GLU 2 -8.839 -5.969 -9.244 24 1HG GLU 2 1HG GLU 2 -7.935 -8.193 -8.179 25 2HG GLU 2 2HG GLU 2 -9.526 -8.841 -8.526 26 H PHE 3 H PHE 3 -8.113 -4.262 -6.193 27 HA PHE 3 HA PHE 3 -10.422 -2.479 -6.523 28 1HB PHE 3 1HB PHE 3 -8.013 -2.522 -4.608 29 2HB PHE 3 2HB PHE 3 -9.179 -1.213 -4.644 30 HD1 PHE 3 1HD PHE 3 -8.644 -4.725 -3.737 31 HD2 PHE 3 2HD PHE 3 -11.386 -1.487 -3.702 32 HE1 PHE 3 1HE PHE 3 -10.086 -5.964 -2.097 33 HE2 PHE 3 2HE PHE 3 -12.828 -2.725 -2.063 34 HZ PHE 3 HZ PHE 3 -12.161 -4.949 -1.280 35 H THR 4 H THR 4 -10.204 -0.698 -7.819 36 HA THR 4 HA THR 4 -7.694 -0.379 -9.212 37 HB THR 4 HB THR 4 -9.016 0.968 -10.700 38 HG1 THR 4 1HG THR 4 -10.942 1.004 -8.487 39 1HG2 THR 4 1HG2 THR 4 -10.071 -1.533 -9.868 40 2HG2 THR 4 2HG2 THR 4 -11.457 -0.417 -9.843 41 3HG2 THR 4 3HG2 THR 4 -10.518 -0.636 -11.339 42 H ALA 5 H ALA 5 -6.637 1.741 -9.473 43 HA ALA 5 HA ALA 5 -5.851 2.762 -7.038 44 1HB ALA 5 1HB ALA 5 -4.318 3.541 -8.484 45 2HB ALA 5 2HB ALA 5 -5.403 3.241 -9.862 46 3HB ALA 5 3HB ALA 5 -5.487 4.787 -8.984 47 H GLU 6 H GLU 6 -8.672 3.487 -9.041 48 HA GLU 6 HA GLU 6 -9.170 5.997 -7.858 49 1HB GLU 6 1HB GLU 6 -10.336 4.307 -9.915 50 2HB GLU 6 2HB GLU 6 -11.605 4.903 -8.864 51 1HG GLU 6 1HG GLU 6 -10.996 7.207 -9.259 52 2HG GLU 6 2HG GLU 6 -9.466 6.758 -9.986 53 H GLN 7 H GLN 7 -10.454 2.644 -7.379 54 HA GLN 7 HA GLN 7 -12.184 3.475 -5.310 55 1HB GLN 7 1HB GLN 7 -11.336 0.864 -6.530 56 2HB GLN 7 2HB GLN 7 -12.051 0.803 -4.931 57 1HG GLN 7 1HG GLN 7 -13.997 0.696 -6.182 58 2HG GLN 7 2HG GLN 7 -13.866 2.439 -6.055 59 1HE2 GLN 7 1HE2 GLN 7 -12.627 3.555 -7.767 60 2HE2 GLN 7 2HE2 GLN 7 -12.773 3.001 -9.402 61 H LEU 8 H LEU 8 -8.919 1.957 -5.496 62 HA LEU 8 HA LEU 8 -8.628 1.404 -2.791 63 1HB LEU 8 1HB LEU 8 -7.125 0.396 -4.235 64 2HB LEU 8 2HB LEU 8 -6.757 1.888 -5.076 65 HG LEU 8 HG LEU 8 -5.877 2.424 -2.511 66 1HD1 LEU 8 1HD1 LEU 8 -5.605 0.520 -1.396 67 2HD1 LEU 8 2HD1 LEU 8 -6.000 -0.459 -2.829 68 3HD1 LEU 8 3HD1 LEU 8 -4.331 0.103 -2.567 69 1HD2 LEU 8 1HD2 LEU 8 -3.624 2.197 -3.462 70 2HD2 LEU 8 2HD2 LEU 8 -4.303 1.324 -4.856 71 3HD2 LEU 8 3HD2 LEU 8 -4.737 3.027 -4.575 72 H SER 9 H SER 9 -8.409 4.432 -4.634 73 HA SER 9 HA SER 9 -7.057 5.826 -2.595 74 1HB SER 9 1HB SER 9 -7.032 6.525 -4.981 75 2HB SER 9 2HB SER 9 -8.753 6.847 -4.916 76 HG SER 9 HG SER 9 -6.743 8.520 -4.284 77 H GLN 10 H GLN 10 -10.160 4.507 -2.758 78 HA GLN 10 HA GLN 10 -11.309 6.665 -1.186 79 1HB GLN 10 1HB GLN 10 -12.950 4.298 -2.026 80 2HB GLN 10 2HB GLN 10 -13.409 5.985 -1.909 81 1HG GLN 10 1HG GLN 10 -12.044 6.501 -3.941 82 2HG GLN 10 2HG GLN 10 -11.571 4.817 -4.054 83 1HE2 GLN 10 1HE2 GLN 10 -13.789 3.420 -3.537 84 2HE2 GLN 10 2HE2 GLN 10 -15.040 3.722 -4.697 85 H TYR 11 H TYR 11 -9.291 4.359 -0.451 86 HA TYR 11 HA TYR 11 -10.738 3.605 1.982 87 1HB TYR 11 1HB TYR 11 -9.027 1.891 0.075 88 2HB TYR 11 2HB TYR 11 -9.569 1.325 1.642 89 HD1 TYR 11 1HD TYR 11 -12.260 1.659 1.983 90 HD2 TYR 11 2HD TYR 11 -10.242 1.168 -1.757 91 HE1 TYR 11 1HE TYR 11 -14.411 0.810 0.926 92 HE2 TYR 11 2HE TYR 11 -12.400 0.321 -2.802 93 HH TYR 11 HH TYR 11 -14.816 0.572 -2.390 94 H ASN 12 H ASN 12 -9.233 5.706 2.312 95 HA ASN 12 HA ASN 12 -6.591 4.699 3.014 96 1HB ASN 12 1HB ASN 12 -5.707 6.792 2.490 97 2HB ASN 12 2HB ASN 12 -7.100 6.830 1.426 98 1HD2 ASN 12 1HD2 ASN 12 -8.866 8.088 1.898 99 2HD2 ASN 12 2HD2 ASN 12 -8.870 9.327 3.108 100 H GLY 13 H GLY 13 -9.528 4.960 4.356 101 1HA GLY 13 1HA GLY 13 -10.252 5.080 6.488 102 2HA GLY 13 2HA GLY 13 -8.593 5.267 7.021 103 H THR 14 H THR 14 -11.604 6.891 6.257 104 HA THR 14 HA THR 14 -11.064 9.135 7.746 105 HB THR 14 HB THR 14 -9.557 9.187 5.346 106 HG1 THR 14 1HG THR 14 -9.418 11.510 6.195 107 1HG2 THR 14 1HG2 THR 14 -11.628 9.865 4.093 108 2HG2 THR 14 2HG2 THR 14 -11.896 11.166 5.277 109 3HG2 THR 14 3HG2 THR 14 -10.468 11.209 4.216 110 H ASP 15 H ASP 15 -12.678 7.681 4.919 111 HA ASP 15 HA ASP 15 -14.817 9.459 4.901 112 1HB ASP 15 1HB ASP 15 -15.321 6.608 4.147 113 2HB ASP 15 2HB ASP 15 -15.686 8.072 3.256 114 H GLU 16 H GLU 16 -16.963 7.299 4.922 115 HA GLU 16 HA GLU 16 -17.626 7.518 7.638 116 1HB GLU 16 1HB GLU 16 -18.833 6.095 5.252 117 2HB GLU 16 2HB GLU 16 -19.489 5.826 6.855 118 1HG GLU 16 1HG GLU 16 -19.269 8.594 6.801 119 2HG GLU 16 2HG GLU 16 -19.649 8.240 5.128 120 H SER 17 H SER 17 -18.143 4.345 6.151 121 HA SER 17 HA SER 17 -16.416 3.243 8.221 122 1HB SER 17 1HB SER 17 -19.045 2.424 7.056 123 2HB SER 17 2HB SER 17 -17.937 1.116 7.422 124 HG SER 17 HG SER 17 -18.956 3.124 9.237 125 H LYS 18 H LYS 18 -15.391 4.239 5.675 126 HA LYS 18 HA LYS 18 -15.054 1.972 3.953 127 1HB LYS 18 1HB LYS 18 -14.662 4.828 3.829 128 2HB LYS 18 2HB LYS 18 -13.199 4.015 3.312 129 1HG LYS 18 1HG LYS 18 -14.772 4.379 1.412 130 2HG LYS 18 2HG LYS 18 -14.456 2.675 1.674 131 1HD LYS 18 1HD LYS 18 -16.625 2.915 3.278 132 2HD LYS 18 2HD LYS 18 -16.972 4.245 2.192 133 1HE LYS 18 1HE LYS 18 -16.100 1.811 0.755 134 2HE LYS 18 2HE LYS 18 -17.542 1.543 1.713 135 1HZ LYS 18 1HZ LYS 18 -17.579 3.998 0.264 136 2HZ LYS 18 2HZ LYS 18 -17.498 2.683 -0.701 137 3HZ LYS 18 3HZ LYS 18 -18.721 2.836 0.371 138 HA PRO 19 HA PRO 19 -11.637 0.418 6.134 139 1HB PRO 19 1HB PRO 19 -10.987 -1.623 4.437 140 2HB PRO 19 2HB PRO 19 -12.235 -1.754 5.659 141 1HG PRO 19 1HG PRO 19 -12.532 -1.434 2.736 142 2HG PRO 19 2HG PRO 19 -13.715 -1.984 3.905 143 1HD PRO 19 1HD PRO 19 -13.592 0.605 2.676 144 2HD PRO 19 2HD PRO 19 -14.704 0.091 3.930 145 H ILE 20 H ILE 20 -9.278 -0.039 5.945 146 HA ILE 20 HA ILE 20 -8.251 1.878 3.984 147 HB ILE 20 HB ILE 20 -6.988 0.804 6.509 148 1HG1 ILE 20 1HG1 ILE 20 -7.476 3.570 6.721 149 2HG1 ILE 20 2HG1 ILE 20 -8.959 2.885 6.086 150 1HG2 ILE 20 1HG2 ILE 20 -5.829 3.247 5.641 151 2HG2 ILE 20 2HG2 ILE 20 -5.076 1.639 5.763 152 3HG2 ILE 20 3HG2 ILE 20 -5.863 2.140 4.248 153 1HD1 ILE 20 1HD1 ILE 20 -9.089 2.786 8.503 154 2HD1 ILE 20 2HD1 ILE 20 -8.848 1.122 7.920 155 3HD1 ILE 20 3HD1 ILE 20 -7.482 2.030 8.613 156 H TYR 21 H TYR 21 -7.149 1.159 2.240 157 HA TYR 21 HA TYR 21 -6.006 -1.543 2.418 158 1HB TYR 21 1HB TYR 21 -7.543 -0.102 0.168 159 2HB TYR 21 2HB TYR 21 -6.747 -1.647 -0.057 160 HD1 TYR 21 1HD TYR 21 -7.541 -2.732 2.770 161 HD2 TYR 21 2HD TYR 21 -9.750 -0.892 -0.398 162 HE1 TYR 21 1HE TYR 21 -9.650 -3.926 3.538 163 HE2 TYR 21 2HE TYR 21 -11.852 -2.092 0.381 164 HH TYR 21 HH TYR 21 -12.314 -4.260 1.662 165 H VAL 22 H VAL 22 -3.896 -1.691 1.793 166 HA VAL 22 HA VAL 22 -2.762 0.710 0.547 167 HB VAL 22 HB VAL 22 -1.348 -1.491 2.057 168 1HG1 VAL 22 1HG1 VAL 22 -0.498 1.293 1.194 169 2HG1 VAL 22 2HG1 VAL 22 0.443 0.232 2.270 170 3HG1 VAL 22 3HG1 VAL 22 0.128 -0.259 0.588 171 1HG2 VAL 22 1HG2 VAL 22 -3.115 -0.151 3.376 172 2HG2 VAL 22 2HG2 VAL 22 -1.468 -0.247 4.044 173 3HG2 VAL 22 3HG2 VAL 22 -2.002 1.227 3.200 174 H ALA 23 H ALA 23 -1.163 0.421 -1.168 175 HA ALA 23 HA ALA 23 -1.556 -2.132 -2.577 176 1HB ALA 23 1HB ALA 23 -2.709 -0.271 -3.691 177 2HB ALA 23 2HB ALA 23 -1.205 0.682 -3.691 178 3HB ALA 23 3HB ALA 23 -1.317 -0.805 -4.663 179 H ILE 24 H ILE 24 0.274 -3.209 -3.280 180 HA ILE 24 HA ILE 24 2.793 -1.810 -3.315 181 HB ILE 24 HB ILE 24 2.664 -4.236 -1.567 182 1HG1 ILE 24 1HG1 ILE 24 2.185 -1.401 -0.601 183 2HG1 ILE 24 2HG1 ILE 24 0.964 -2.655 -0.692 184 1HG2 ILE 24 1HG2 ILE 24 4.799 -3.120 -2.516 185 2HG2 ILE 24 2HG2 ILE 24 4.491 -1.861 -1.297 186 3HG2 ILE 24 3HG2 ILE 24 4.741 -3.548 -0.790 187 1HD1 ILE 24 1HD1 ILE 24 3.545 -3.152 0.823 188 2HD1 ILE 24 2HD1 ILE 24 2.196 -2.277 1.585 189 3HD1 ILE 24 3HD1 ILE 24 1.966 -3.949 1.020 190 H LYS 25 H LYS 25 3.534 -2.360 -5.290 191 HA LYS 25 HA LYS 25 4.237 -3.628 -6.962 192 1HB LYS 25 1HB LYS 25 3.585 -6.013 -5.204 193 2HB LYS 25 2HB LYS 25 4.507 -6.061 -6.693 194 1HG LYS 25 1HG LYS 25 5.274 -4.432 -4.224 195 2HG LYS 25 2HG LYS 25 5.964 -5.987 -4.647 196 1HD LYS 25 1HD LYS 25 6.112 -4.230 -6.957 197 2HD LYS 25 2HD LYS 25 6.775 -3.396 -5.566 198 1HE LYS 25 1HE LYS 25 8.665 -4.552 -6.327 199 2HE LYS 25 2HE LYS 25 8.055 -5.673 -5.127 200 1HZ LYS 25 1HZ LYS 25 8.586 -6.592 -7.380 201 2HZ LYS 25 2HZ LYS 25 7.123 -6.995 -6.776 202 3HZ LYS 25 3HZ LYS 25 7.241 -5.849 -7.934 203 H GLY 26 H GLY 26 1.234 -3.009 -6.078 204 1HA GLY 26 1HA GLY 26 -0.524 -2.893 -7.606 205 2HA GLY 26 2HA GLY 26 0.106 -4.285 -8.465 206 H ARG 27 H ARG 27 0.179 -4.583 -4.991 207 HA ARG 27 HA ARG 27 -2.189 -6.263 -5.187 208 1HB ARG 27 1HB ARG 27 0.268 -7.166 -4.576 209 2HB ARG 27 2HB ARG 27 -0.149 -6.589 -2.975 210 1HG ARG 27 1HG ARG 27 -2.315 -7.945 -3.150 211 2HG ARG 27 2HG ARG 27 -1.690 -8.635 -4.634 212 1HD ARG 27 1HD ARG 27 0.296 -8.769 -2.463 213 2HD ARG 27 2HD ARG 27 -1.198 -9.569 -2.017 214 HE ARG 27 HE ARG 27 0.691 -10.428 -4.074 215 1HH1 ARG 27 2HH2 ARG 27 -2.664 -10.589 -3.026 216 2HH1 ARG 27 1HH2 ARG 27 -2.987 -12.073 -3.859 217 1HH2 ARG 27 2HH1 ARG 27 0.266 -12.386 -5.174 218 2HH2 ARG 27 1HH1 ARG 27 -1.309 -13.102 -5.089 219 H VAL 28 H VAL 28 -3.897 -5.860 -3.759 220 HA VAL 28 HA VAL 28 -3.609 -3.513 -2.085 221 HB VAL 28 HB VAL 28 -5.904 -5.197 -3.061 222 1HG1 VAL 28 1HG1 VAL 28 -6.847 -4.771 -1.028 223 2HG1 VAL 28 2HG1 VAL 28 -5.817 -3.353 -0.719 224 3HG1 VAL 28 3HG1 VAL 28 -7.216 -3.216 -1.812 225 1HG2 VAL 28 1HG2 VAL 28 -5.844 -3.685 -4.705 226 2HG2 VAL 28 2HG2 VAL 28 -6.367 -2.471 -3.512 227 3HG2 VAL 28 3HG2 VAL 28 -4.634 -2.703 -3.844 228 H PHE 29 H PHE 29 -3.201 -3.594 0.064 229 HA PHE 29 HA PHE 29 -3.664 -6.181 1.375 230 1HB PHE 29 1HB PHE 29 -1.559 -3.965 1.694 231 2HB PHE 29 2HB PHE 29 -1.754 -5.225 2.897 232 HD1 PHE 29 1HD PHE 29 -1.847 -7.697 1.721 233 HD2 PHE 29 2HD PHE 29 0.169 -4.279 0.217 234 HE1 PHE 29 1HE PHE 29 -0.303 -9.183 0.415 235 HE2 PHE 29 2HE PHE 29 1.713 -5.765 -1.090 236 HZ PHE 29 HZ PHE 29 1.459 -8.199 -0.975 237 H ASP 30 H ASP 30 -4.437 -6.144 3.572 238 HA ASP 30 HA ASP 30 -5.964 -3.753 4.083 239 1HB ASP 30 1HB ASP 30 -7.377 -5.566 4.415 240 2HB ASP 30 2HB ASP 30 -6.072 -6.631 4.899 241 H VAL 31 H VAL 31 -5.300 -2.283 5.668 242 HA VAL 31 HA VAL 31 -3.420 -3.276 7.693 243 HB VAL 31 HB VAL 31 -2.202 -1.183 7.533 244 1HG1 VAL 31 1HG1 VAL 31 -0.867 -1.917 5.862 245 2HG1 VAL 31 2HG1 VAL 31 -1.994 -3.294 5.830 246 3HG1 VAL 31 3HG1 VAL 31 -2.192 -1.955 4.674 247 1HG2 VAL 31 1HG2 VAL 31 -2.641 0.324 5.541 248 2HG2 VAL 31 2HG2 VAL 31 -4.193 -0.525 5.345 249 3HG2 VAL 31 3HG2 VAL 31 -3.858 0.384 6.839 250 H THR 32 H THR 32 -6.493 -2.335 7.139 251 HA THR 32 HA THR 32 -7.016 -0.179 8.774 252 HB THR 32 HB THR 32 -8.930 -0.844 7.664 253 HG1 THR 32 1HG THR 32 -8.962 -2.812 9.833 254 1HG2 THR 32 1HG2 THR 32 -9.467 -3.443 7.563 255 2HG2 THR 32 2HG2 THR 32 -8.258 -2.766 6.446 256 3HG2 THR 32 3HG2 THR 32 -7.732 -3.624 7.915 257 H THR 33 H THR 33 -5.865 -3.363 9.644 258 HA THR 33 HA THR 33 -6.868 -3.580 12.220 259 HB THR 33 HB THR 33 -5.067 -5.195 12.484 260 HG1 THR 33 1HG THR 33 -3.261 -4.960 10.862 261 1HG2 THR 33 1HG2 THR 33 -6.579 -5.103 10.047 262 2HG2 THR 33 2HG2 THR 33 -4.907 -5.515 9.597 263 3HG2 THR 33 3HG2 THR 33 -5.787 -6.523 10.771 264 H GLY 34 H GLY 34 -4.981 -1.065 10.945 265 1HA GLY 34 1HA GLY 34 -4.446 -0.107 13.657 266 2HA GLY 34 2HA GLY 34 -3.075 -0.292 12.581 267 H LYS 35 H LYS 35 -6.494 0.810 12.007 268 HA LYS 35 HA LYS 35 -5.895 2.687 10.116 269 1HB LYS 35 1HB LYS 35 -8.101 3.109 10.176 270 2HB LYS 35 2HB LYS 35 -8.161 1.750 11.279 271 1HG LYS 35 1HG LYS 35 -7.966 3.288 13.224 272 2HG LYS 35 2HG LYS 35 -7.828 4.662 12.145 273 1HD LYS 35 1HD LYS 35 -10.150 3.546 11.195 274 2HD LYS 35 2HD LYS 35 -10.243 3.055 12.875 275 1HE LYS 35 1HE LYS 35 -10.354 5.266 13.668 276 2HE LYS 35 2HE LYS 35 -9.506 5.922 12.282 277 1HZ LYS 35 1HZ LYS 35 -11.389 5.883 11.030 278 2HZ LYS 35 2HZ LYS 35 -12.101 4.676 11.869 279 3HZ LYS 35 3HZ LYS 35 -12.043 6.183 12.496 280 H SER 36 H SER 36 -5.293 2.755 13.573 281 HA SER 36 HA SER 36 -5.242 5.500 13.920 282 1HB SER 36 1HB SER 36 -4.419 3.105 15.385 283 2HB SER 36 2HB SER 36 -3.263 4.400 15.623 284 HG SER 36 HG SER 36 -5.440 4.152 16.980 285 H PHE 37 H PHE 37 -3.168 3.363 12.137 286 HA PHE 37 HA PHE 37 -1.012 5.348 12.177 287 1HB PHE 37 1HB PHE 37 -1.199 2.407 11.283 288 2HB PHE 37 2HB PHE 37 0.267 3.362 11.172 289 HD1 PHE 37 1HD PHE 37 0.959 4.512 13.495 290 HD2 PHE 37 2HD PHE 37 -1.422 1.021 13.108 291 HE1 PHE 37 1HE PHE 37 1.581 3.829 15.828 292 HE2 PHE 37 2HE PHE 37 -0.800 0.338 15.441 293 HZ PHE 37 HZ PHE 37 0.694 1.750 16.774 294 H TYR 38 H TYR 38 -3.222 3.424 10.089 295 HA TYR 38 HA TYR 38 -2.176 4.791 7.736 296 1HB TYR 38 1HB TYR 38 -3.821 2.375 8.503 297 2HB TYR 38 2HB TYR 38 -4.287 3.129 6.991 298 HD1 TYR 38 1HD TYR 38 -2.099 0.794 8.524 299 HD2 TYR 38 2HD TYR 38 -2.348 3.557 5.267 300 HE1 TYR 38 1HE TYR 38 -0.229 -0.441 7.324 301 HE2 TYR 38 2HE TYR 38 -0.477 2.312 4.077 302 HH TYR 38 HH TYR 38 1.143 0.825 4.341 303 H GLY 39 H GLY 39 -5.139 4.481 9.754 304 1HA GLY 39 1HA GLY 39 -7.038 5.693 8.253 305 2HA GLY 39 2HA GLY 39 -6.875 5.907 9.985 306 H SER 40 H SER 40 -7.956 8.012 8.648 307 HA SER 40 HA SER 40 -6.612 9.830 7.356 308 1HB SER 40 1HB SER 40 -8.927 9.955 8.575 309 2HB SER 40 2HB SER 40 -8.036 10.689 9.894 310 HG SER 40 HG SER 40 -7.182 12.018 7.784 311 H GLY 41 H GLY 41 -4.628 10.812 7.500 312 1HA GLY 41 1HA GLY 41 -2.631 11.413 8.356 313 2HA GLY 41 2HA GLY 41 -3.586 12.172 9.613 314 H GLY 42 H GLY 42 -1.573 9.409 8.733 315 1HA GLY 42 1HA GLY 42 -1.222 8.774 11.545 316 2HA GLY 42 2HA GLY 42 -1.950 7.510 10.574 317 H ASP 43 H ASP 43 0.251 6.541 11.464 318 HA ASP 43 HA ASP 43 2.681 7.220 10.753 319 1HB ASP 43 1HB ASP 43 1.492 4.895 11.608 320 2HB ASP 43 2HB ASP 43 2.013 4.398 10.011 321 H TYR 44 H TYR 44 0.331 5.423 8.627 322 HA TYR 44 HA TYR 44 2.014 6.134 6.322 323 1HB TYR 44 1HB TYR 44 -0.237 4.099 6.285 324 2HB TYR 44 2HB TYR 44 1.298 4.030 5.442 325 HD1 TYR 44 1HD TYR 44 -0.565 2.845 8.241 326 HD2 TYR 44 2HD TYR 44 3.423 3.610 6.893 327 HE1 TYR 44 1HE TYR 44 0.345 1.264 10.012 328 HE2 TYR 44 2HE TYR 44 4.319 2.026 8.669 329 HH TYR 44 HH TYR 44 2.601 1.073 11.264 330 H SER 45 H SER 45 0.783 8.325 6.762 331 HA SER 45 HA SER 45 -1.947 8.356 6.106 332 1HB SER 45 1HB SER 45 -1.790 10.506 6.803 333 2HB SER 45 2HB SER 45 -0.119 10.150 7.196 334 HG SER 45 HG SER 45 -0.429 12.052 5.793 335 H MET 46 H MET 46 1.106 8.546 4.288 336 HA MET 46 HA MET 46 -0.190 9.486 1.926 337 1HB MET 46 1HB MET 46 2.124 9.095 0.939 338 2HB MET 46 2HB MET 46 2.149 10.113 2.365 339 1HG MET 46 1HG MET 46 2.357 7.443 3.340 340 2HG MET 46 2HG MET 46 3.416 7.513 1.946 341 1HE MET 46 1HE MET 46 2.551 9.102 5.448 342 2HE MET 46 2HE MET 46 3.623 10.523 5.439 343 3HE MET 46 3HE MET 46 2.284 10.412 4.272 344 H PHE 47 H PHE 47 0.807 6.382 3.359 345 HA PHE 47 HA PHE 47 0.601 4.898 0.956 346 1HB PHE 47 1HB PHE 47 0.320 4.099 3.915 347 2HB PHE 47 2HB PHE 47 0.699 2.993 2.609 348 HD1 PHE 47 1HD PHE 47 2.505 2.766 4.667 349 HD2 PHE 47 2HD PHE 47 2.416 5.820 1.723 350 HE1 PHE 47 1HE PHE 47 4.955 3.183 5.025 351 HE2 PHE 47 2HE PHE 47 4.865 6.237 2.080 352 HZ PHE 47 HZ PHE 47 6.105 4.913 3.727 353 H ALA 48 H ALA 48 -1.654 5.857 3.561 354 HA ALA 48 HA ALA 48 -3.665 4.054 3.231 355 1HB ALA 48 1HB ALA 48 -3.534 5.899 4.913 356 2HB ALA 48 2HB ALA 48 -3.957 7.058 3.630 357 3HB ALA 48 3HB ALA 48 -5.121 5.802 4.112 358 H GLY 49 H GLY 49 -4.931 3.425 1.557 359 1HA GLY 49 1HA GLY 49 -5.832 3.375 -0.504 360 2HA GLY 49 2HA GLY 49 -6.260 5.049 -0.209 361 H LYS 50 H LYS 50 -2.948 3.626 -0.486 362 HA LYS 50 HA LYS 50 -2.605 4.571 -3.150 363 1HB LYS 50 1HB LYS 50 -1.529 6.199 -0.852 364 2HB LYS 50 2HB LYS 50 -0.689 6.154 -2.389 365 1HG LYS 50 1HG LYS 50 -3.200 6.612 -3.318 366 2HG LYS 50 2HG LYS 50 -3.379 7.320 -1.725 367 1HD LYS 50 1HD LYS 50 -1.094 8.027 -3.623 368 2HD LYS 50 2HD LYS 50 -2.594 8.930 -3.548 369 1HE LYS 50 1HE LYS 50 -1.969 10.013 -1.641 370 2HE LYS 50 2HE LYS 50 -1.466 8.525 -0.863 371 1HZ LYS 50 1HZ LYS 50 0.600 9.121 -1.249 372 2HZ LYS 50 2HZ LYS 50 0.358 9.072 -2.863 373 3HZ LYS 50 3HZ LYS 50 0.131 10.467 -2.044 374 H ASP 51 H ASP 51 -0.474 3.954 -4.007 375 HA ASP 51 HA ASP 51 0.425 1.609 -2.630 376 1HB ASP 51 1HB ASP 51 0.033 1.667 -5.116 377 2HB ASP 51 2HB ASP 51 1.319 2.847 -5.277 378 H ALA 52 H ALA 52 2.036 1.882 -1.074 379 HA ALA 52 HA ALA 52 3.907 4.101 -1.435 380 1HB ALA 52 1HB ALA 52 4.268 3.961 0.919 381 2HB ALA 52 2HB ALA 52 2.512 3.776 0.689 382 3HB ALA 52 3HB ALA 52 3.523 2.347 1.013 383 H SER 53 H SER 53 4.700 2.565 -3.310 384 HA SER 53 HA SER 53 6.134 0.287 -2.454 385 1HB SER 53 1HB SER 53 5.860 1.821 -5.044 386 2HB SER 53 2HB SER 53 7.129 0.621 -4.895 387 HG SER 53 HG SER 53 5.347 -0.473 -5.712 388 H ARG 54 H ARG 54 7.082 3.561 -3.733 389 HA ARG 54 HA ARG 54 9.786 3.179 -3.380 390 1HB ARG 54 1HB ARG 54 8.176 5.782 -3.287 391 2HB ARG 54 2HB ARG 54 9.912 5.695 -3.509 392 1HG ARG 54 1HG ARG 54 8.451 3.954 -5.397 393 2HG ARG 54 2HG ARG 54 7.984 5.636 -5.546 394 1HD ARG 54 1HD ARG 54 10.920 4.840 -5.432 395 2HD ARG 54 2HD ARG 54 10.033 4.790 -6.943 396 HE ARG 54 HE ARG 54 9.603 7.330 -5.646 397 1HH1 ARG 54 2HH2 ARG 54 12.041 5.526 -7.431 398 2HH1 ARG 54 1HH2 ARG 54 12.830 6.944 -8.037 399 1HH2 ARG 54 2HH1 ARG 54 10.643 9.201 -6.446 400 2HH2 ARG 54 1HH1 ARG 54 12.029 9.048 -7.473 401 H ALA 55 H ALA 55 7.259 4.647 -1.240 402 HA ALA 55 HA ALA 55 8.952 5.523 0.777 403 1HB ALA 55 1HB ALA 55 6.235 5.529 0.228 404 2HB ALA 55 2HB ALA 55 6.344 4.486 1.666 405 3HB ALA 55 3HB ALA 55 6.991 6.143 1.718 406 H LEU 56 H LEU 56 7.295 2.345 0.273 407 HA LEU 56 HA LEU 56 8.139 1.192 2.661 408 1HB LEU 56 1HB LEU 56 7.070 0.263 0.057 409 2HB LEU 56 2HB LEU 56 7.908 -0.932 1.026 410 HG LEU 56 HG LEU 56 6.358 -0.774 2.795 411 1HD1 LEU 56 1HD1 LEU 56 4.411 1.080 2.281 412 2HD1 LEU 56 2HD1 LEU 56 5.778 1.301 3.399 413 3HD1 LEU 56 3HD1 LEU 56 5.880 1.925 1.735 414 1HD2 LEU 56 1HD2 LEU 56 4.416 -0.398 0.558 415 2HD2 LEU 56 2HD2 LEU 56 5.602 -1.720 0.440 416 3HD2 LEU 56 3HD2 LEU 56 4.485 -1.647 1.824 417 H GLY 57 H GLY 57 9.613 1.128 -0.651 418 1HA GLY 57 1HA GLY 57 11.783 -0.480 -0.135 419 2HA GLY 57 2HA GLY 57 11.747 0.832 -1.296 420 H LYS 58 H LYS 58 12.343 3.041 -0.579 421 HA LYS 58 HA LYS 58 14.661 3.074 0.910 422 1HB LYS 58 1HB LYS 58 12.772 5.393 0.410 423 2HB LYS 58 2HB LYS 58 14.476 5.498 0.803 424 1HG LYS 58 1HG LYS 58 15.096 5.114 -1.353 425 2HG LYS 58 2HG LYS 58 14.053 3.711 -1.481 426 1HD LYS 58 1HD LYS 58 12.131 5.070 -2.058 427 2HD LYS 58 2HD LYS 58 12.954 6.551 -1.610 428 1HE LYS 58 1HE LYS 58 14.229 4.837 -3.739 429 2HE LYS 58 2HE LYS 58 12.788 5.735 -4.175 430 1HZ LYS 58 1HZ LYS 58 14.221 7.383 -4.484 431 2HZ LYS 58 2HZ LYS 58 14.221 7.562 -2.861 432 3HZ LYS 58 3HZ LYS 58 15.406 6.704 -3.587 433 H MET 59 H MET 59 11.322 2.967 1.938 434 HA MET 59 HA MET 59 10.474 2.695 3.934 435 1HB MET 59 1HB MET 59 13.220 3.183 5.194 436 2HB MET 59 2HB MET 59 11.887 2.276 5.882 437 1HG MET 59 1HG MET 59 12.151 0.739 3.743 438 2HG MET 59 2HG MET 59 13.735 1.478 3.609 439 1HE MET 59 1HE MET 59 12.361 -1.687 6.530 440 2HE MET 59 2HE MET 59 11.300 -0.295 6.205 441 3HE MET 59 3HE MET 59 11.832 -1.341 4.866 442 H SER 60 H SER 60 10.595 5.255 2.617 443 HA SER 60 HA SER 60 10.943 7.054 4.876 444 1HB SER 60 1HB SER 60 11.862 7.284 2.289 445 2HB SER 60 2HB SER 60 10.364 8.187 2.182 446 HG SER 60 HG SER 60 12.582 9.202 2.996 447 H LYS 61 H LYS 61 9.259 9.162 4.152 448 HA LYS 61 HA LYS 61 6.626 7.907 3.870 449 1HB LYS 61 1HB LYS 61 5.738 9.089 5.719 450 2HB LYS 61 2HB LYS 61 7.206 8.320 6.286 451 1HG LYS 61 1HG LYS 61 8.112 10.325 6.837 452 2HG LYS 61 2HG LYS 61 7.884 10.926 5.207 453 1HD LYS 61 1HD LYS 61 5.759 11.843 5.690 454 2HD LYS 61 2HD LYS 61 5.493 10.779 7.056 455 1HE LYS 61 1HE LYS 61 7.702 12.879 7.067 456 2HE LYS 61 2HE LYS 61 6.068 13.256 7.578 457 1HZ LYS 61 1HZ LYS 61 7.679 12.486 9.325 458 2HZ LYS 61 2HZ LYS 61 6.219 11.756 9.320 459 3HZ LYS 61 3HZ LYS 61 7.520 10.982 8.709 460 H ASN 62 H ASN 62 8.172 9.063 1.787 461 HA ASN 62 HA ASN 62 7.496 11.785 1.526 462 1HB ASN 62 1HB ASN 62 8.790 9.657 -0.147 463 2HB ASN 62 2HB ASN 62 8.036 10.956 -1.050 464 1HD2 ASN 62 1HD2 ASN 62 8.561 13.183 -0.390 465 2HD2 ASN 62 2HD2 ASN 62 10.174 13.553 0.120 466 H GLU 63 H GLU 63 5.757 12.704 0.283 467 HA GLU 63 HA GLU 63 3.532 10.980 -0.061 468 1HB GLU 63 1HB GLU 63 3.849 13.665 0.493 469 2HB GLU 63 2HB GLU 63 3.386 13.725 -1.196 470 1HG GLU 63 1HG GLU 63 1.841 12.100 0.872 471 2HG GLU 63 2HG GLU 63 1.460 13.772 0.511 472 H GLU 64 H GLU 64 6.162 12.148 -2.044 473 HA GLU 64 HA GLU 64 4.690 11.650 -4.472 474 1HB GLU 64 1HB GLU 64 7.637 12.326 -4.367 475 2HB GLU 64 2HB GLU 64 6.465 12.719 -5.609 476 1HG GLU 64 1HG GLU 64 6.130 13.837 -2.808 477 2HG GLU 64 2HG GLU 64 7.251 14.594 -3.922 478 H ASP 65 H ASP 65 6.810 10.035 -2.229 479 HA ASP 65 HA ASP 65 8.163 8.343 -3.905 480 1HB ASP 65 1HB ASP 65 7.432 8.476 -1.059 481 2HB ASP 65 2HB ASP 65 7.498 6.817 -1.618 482 H VAL 66 H VAL 66 4.948 8.002 -2.239 483 HA VAL 66 HA VAL 66 4.179 5.530 -2.753 484 HB VAL 66 HB VAL 66 2.648 8.096 -3.171 485 1HG1 VAL 66 1HG1 VAL 66 1.201 5.538 -2.636 486 2HG1 VAL 66 2HG1 VAL 66 0.673 6.994 -3.513 487 3HG1 VAL 66 3HG1 VAL 66 1.774 5.834 -4.295 488 1HG2 VAL 66 1HG2 VAL 66 3.659 6.925 -0.873 489 2HG2 VAL 66 2HG2 VAL 66 2.340 8.118 -0.949 490 3HG2 VAL 66 3HG2 VAL 66 1.965 6.379 -0.897 491 H SER 67 H SER 67 4.753 4.278 -4.473 492 HA SER 67 HA SER 67 4.130 5.405 -7.091 493 1HB SER 67 1HB SER 67 6.251 4.948 -7.706 494 2HB SER 67 2HB SER 67 6.598 4.351 -6.095 495 HG SER 67 HG SER 67 6.240 2.941 -8.446 496 HA PRO 68 HA PRO 68 1.386 1.934 -6.897 497 1HB PRO 68 1HB PRO 68 -0.305 2.750 -8.883 498 2HB PRO 68 2HB PRO 68 -0.497 3.223 -7.207 499 1HG PRO 68 1HG PRO 68 0.511 4.822 -9.479 500 2HG PRO 68 2HG PRO 68 -0.083 5.375 -7.926 501 1HD PRO 68 1HD PRO 68 2.658 5.211 -8.756 502 2HD PRO 68 2HD PRO 68 2.069 5.652 -7.165 503 H SER 69 H SER 69 3.785 2.634 -8.901 504 HA SER 69 HA SER 69 3.417 0.109 -10.215 505 1HB SER 69 1HB SER 69 2.992 0.879 -12.297 506 2HB SER 69 2HB SER 69 2.694 2.450 -11.580 507 HG SER 69 HG SER 69 4.292 2.968 -12.965 508 H LEU 70 H LEU 70 5.446 -0.837 -10.850 509 HA LEU 70 HA LEU 70 7.682 0.232 -9.444 510 1HB LEU 70 1HB LEU 70 7.295 -2.160 -11.240 511 2HB LEU 70 2HB LEU 70 8.832 -1.758 -10.501 512 HG LEU 70 HG LEU 70 6.262 -2.471 -9.065 513 1HD1 LEU 70 1HD1 LEU 70 8.512 -4.017 -10.036 514 2HD1 LEU 70 2HD1 LEU 70 8.338 -4.167 -8.271 515 3HD1 LEU 70 3HD1 LEU 70 6.967 -4.560 -9.337 516 1HD2 LEU 70 1HD2 LEU 70 7.677 -2.386 -6.992 517 2HD2 LEU 70 2HD2 LEU 70 8.922 -1.552 -7.954 518 3HD2 LEU 70 3HD2 LEU 70 7.321 -0.806 -7.731 519 H GLU 71 H GLU 71 7.100 2.326 -10.941 520 HA GLU 71 HA GLU 71 8.817 2.091 -13.283 521 1HB GLU 71 1HB GLU 71 7.651 4.133 -14.113 522 2HB GLU 71 2HB GLU 71 6.545 2.801 -13.839 523 1HG GLU 71 1HG GLU 71 5.893 3.755 -11.643 524 2HG GLU 71 2HG GLU 71 7.056 5.051 -11.835 525 H GLY 72 H GLY 72 10.350 2.162 -11.115 526 1HA GLY 72 1HA GLY 72 12.070 4.197 -11.296 527 2HA GLY 72 2HA GLY 72 10.850 4.889 -10.246 528 H LEU 73 H LEU 73 10.240 1.960 -9.290 529 HA LEU 73 HA LEU 73 11.656 2.080 -6.929 530 1HB LEU 73 1HB LEU 73 10.055 0.025 -8.365 531 2HB LEU 73 2HB LEU 73 11.049 -0.515 -7.027 532 HG LEU 73 HG LEU 73 8.621 0.064 -6.527 533 1HD1 LEU 73 1HD1 LEU 73 11.016 0.986 -5.003 534 2HD1 LEU 73 2HD1 LEU 73 9.405 1.462 -4.416 535 3HD1 LEU 73 3HD1 LEU 73 9.809 -0.261 -4.607 536 1HD2 LEU 73 1HD2 LEU 73 8.675 2.184 -7.899 537 2HD2 LEU 73 2HD2 LEU 73 7.952 2.324 -6.278 538 3HD2 LEU 73 3HD2 LEU 73 9.602 2.923 -6.571 539 H THR 74 H THR 74 13.837 2.134 -6.745 540 HA THR 74 HA THR 74 15.485 0.750 -8.652 541 HB THR 74 HB THR 74 17.269 1.922 -7.511 542 HG1 THR 74 1HG THR 74 17.003 2.394 -5.312 543 1HG2 THR 74 1HG2 THR 74 16.577 4.108 -7.793 544 2HG2 THR 74 2HG2 THR 74 15.085 3.364 -8.415 545 3HG2 THR 74 3HG2 THR 74 15.175 3.895 -6.718 546 H GLU 75 H GLU 75 17.532 -0.406 -7.455 547 HA GLU 75 HA GLU 75 16.425 -2.821 -6.609 548 1HB GLU 75 1HB GLU 75 19.051 -1.752 -7.276 549 2HB GLU 75 2HB GLU 75 19.167 -2.766 -5.852 550 1HG GLU 75 1HG GLU 75 17.487 -4.271 -7.477 551 2HG GLU 75 2HG GLU 75 18.540 -3.515 -8.658 552 H LYS 76 H LYS 76 17.977 -0.067 -4.883 553 HA LYS 76 HA LYS 76 18.253 -1.215 -2.400 554 1HB LYS 76 1HB LYS 76 18.834 0.863 -1.748 555 2HB LYS 76 2HB LYS 76 18.796 1.201 -3.467 556 1HG LYS 76 1HG LYS 76 16.492 2.050 -3.307 557 2HG LYS 76 2HG LYS 76 16.386 1.566 -1.626 558 1HD LYS 76 1HD LYS 76 16.896 3.856 -1.444 559 2HD LYS 76 2HD LYS 76 18.475 3.117 -1.266 560 1HE LYS 76 1HE LYS 76 18.165 3.419 -4.060 561 2HE LYS 76 2HE LYS 76 17.482 4.888 -3.392 562 1HZ LYS 76 1HZ LYS 76 20.097 4.409 -3.730 563 2HZ LYS 76 2HZ LYS 76 19.477 5.566 -2.758 564 3HZ LYS 76 3HZ LYS 76 19.914 4.122 -2.132 565 H GLU 77 H GLU 77 15.387 0.491 -3.820 566 HA GLU 77 HA GLU 77 13.856 -0.104 -1.497 567 1HB GLU 77 1HB GLU 77 11.993 0.730 -3.282 568 2HB GLU 77 2HB GLU 77 13.012 1.834 -2.381 569 1HG GLU 77 1HG GLU 77 14.635 1.915 -4.258 570 2HG GLU 77 2HG GLU 77 13.689 0.742 -5.153 571 H ILE 78 H ILE 78 14.189 -1.346 -4.857 572 HA ILE 78 HA ILE 78 11.999 -3.001 -4.941 573 HB ILE 78 HB ILE 78 14.723 -3.075 -6.186 574 1HG1 ILE 78 1HG1 ILE 78 12.497 -1.609 -6.747 575 2HG1 ILE 78 2HG1 ILE 78 13.758 -1.999 -7.900 576 1HG2 ILE 78 1HG2 ILE 78 14.097 -5.421 -5.856 577 2HG2 ILE 78 2HG2 ILE 78 12.537 -5.121 -6.658 578 3HG2 ILE 78 3HG2 ILE 78 14.054 -4.964 -7.576 579 1HD1 ILE 78 1HD1 ILE 78 11.508 -2.544 -8.802 580 2HD1 ILE 78 2HD1 ILE 78 12.502 -4.010 -8.634 581 3HD1 ILE 78 3HD1 ILE 78 11.232 -3.654 -7.438 582 H ASN 79 H ASN 79 15.007 -3.287 -3.101 583 HA ASN 79 HA ASN 79 14.637 -6.049 -2.590 584 1HB ASN 79 1HB ASN 79 16.544 -3.885 -1.779 585 2HB ASN 79 2HB ASN 79 16.342 -5.165 -0.599 586 1HD2 ASN 79 1HD2 ASN 79 18.071 -4.168 -3.199 587 2HD2 ASN 79 2HD2 ASN 79 18.699 -5.670 -3.790 588 H THR 80 H THR 80 14.226 -2.910 -0.808 589 HA THR 80 HA THR 80 13.143 -4.201 1.517 590 HB THR 80 HB THR 80 13.417 -1.292 0.601 591 HG1 THR 80 1HG THR 80 14.702 -2.946 2.653 592 1HG2 THR 80 1HG2 THR 80 11.638 -1.412 2.319 593 2HG2 THR 80 2HG2 THR 80 12.647 -2.488 3.315 594 3HG2 THR 80 3HG2 THR 80 13.133 -0.794 3.062 595 H LEU 81 H LEU 81 11.825 -2.249 -1.224 596 HA LEU 81 HA LEU 81 9.210 -2.189 -0.335 597 1HB LEU 81 1HB LEU 81 9.686 -0.762 -2.064 598 2HB LEU 81 2HB LEU 81 10.579 -1.965 -2.975 599 HG LEU 81 HG LEU 81 8.274 -1.146 -3.836 600 1HD1 LEU 81 1HD1 LEU 81 7.988 -3.980 -4.087 601 2HD1 LEU 81 2HD1 LEU 81 8.615 -2.803 -5.266 602 3HD1 LEU 81 3HD1 LEU 81 9.721 -3.574 -4.104 603 1HD2 LEU 81 1HD2 LEU 81 7.418 -2.035 -1.368 604 2HD2 LEU 81 2HD2 LEU 81 6.387 -1.695 -2.779 605 3HD2 LEU 81 3HD2 LEU 81 6.941 -3.357 -2.462 606 H ASN 82 H ASN 82 10.774 -4.555 -2.610 607 HA ASN 82 HA ASN 82 8.642 -6.149 -3.003 608 1HB ASN 82 1HB ASN 82 11.616 -6.758 -2.746 609 2HB ASN 82 2HB ASN 82 10.484 -8.049 -3.095 610 1HD2 ASN 82 1HD2 ASN 82 10.837 -8.527 -5.144 611 2HD2 ASN 82 2HD2 ASN 82 10.763 -7.434 -6.486 612 H ASP 83 H ASP 83 10.905 -5.976 -0.213 613 HA ASP 83 HA ASP 83 9.996 -8.334 1.001 614 1HB ASP 83 1HB ASP 83 12.093 -6.580 1.390 615 2HB ASP 83 2HB ASP 83 11.057 -6.148 2.736 616 H TRP 84 H TRP 84 9.125 -4.854 1.091 617 HA TRP 84 HA TRP 84 7.569 -4.859 3.399 618 1HB TRP 84 1HB TRP 84 7.898 -3.140 1.013 619 2HB TRP 84 2HB TRP 84 6.378 -2.974 1.869 620 HD1 TRP 84 HD TRP 84 9.726 -1.522 1.923 621 HE1 TRP 84 1HE TRP 84 10.334 -0.273 4.166 622 HE3 TRP 84 3HE TRP 84 5.933 -3.504 4.669 623 HZ2 TRP 84 2HZ TRP 84 9.186 -0.255 6.779 624 HZ3 TRP 84 3HZ TRP 84 5.748 -2.819 7.058 625 HH2 TRP 84 HH TRP 84 7.297 -1.253 8.118 626 H GLU 85 H GLU 85 6.846 -5.625 -0.057 627 HA GLU 85 HA GLU 85 4.112 -5.930 0.308 628 1HB GLU 85 1HB GLU 85 4.359 -5.972 -1.938 629 2HB GLU 85 2HB GLU 85 6.070 -6.325 -1.799 630 1HG GLU 85 1HG GLU 85 5.527 -8.755 -1.459 631 2HG GLU 85 2HG GLU 85 3.822 -8.390 -1.641 632 H THR 86 H THR 86 6.865 -8.264 0.474 633 HA THR 86 HA THR 86 5.253 -10.546 0.867 634 HB THR 86 HB THR 86 8.167 -9.773 1.243 635 HG1 THR 86 1HG THR 86 8.018 -10.684 -0.766 636 1HG2 THR 86 1HG2 THR 86 7.041 -12.574 1.719 637 2HG2 THR 86 2HG2 THR 86 8.722 -12.026 1.929 638 3HG2 THR 86 3HG2 THR 86 7.460 -11.482 3.061 639 H LYS 87 H LYS 87 6.524 -8.039 3.057 640 HA LYS 87 HA LYS 87 5.917 -9.533 5.404 641 1HB LYS 87 1HB LYS 87 6.515 -6.589 4.982 642 2HB LYS 87 2HB LYS 87 6.380 -7.370 6.545 643 1HG LYS 87 1HG LYS 87 8.359 -8.601 6.268 644 2HG LYS 87 2HG LYS 87 8.247 -8.599 4.519 645 1HD LYS 87 1HD LYS 87 9.334 -6.585 4.314 646 2HD LYS 87 2HD LYS 87 8.519 -5.885 5.699 647 1HE LYS 87 1HE LYS 87 10.559 -8.063 6.184 648 2HE LYS 87 2HE LYS 87 11.135 -6.459 5.776 649 1HZ LYS 87 1HZ LYS 87 10.570 -7.158 8.218 650 2HZ LYS 87 2HZ LYS 87 10.365 -5.622 7.701 651 3HZ LYS 87 3HZ LYS 87 9.082 -6.628 7.802 652 H PHE 88 H PHE 88 4.287 -6.986 3.444 653 HA PHE 88 HA PHE 88 2.126 -6.691 5.228 654 1HB PHE 88 1HB PHE 88 2.947 -5.978 2.416 655 2HB PHE 88 2HB PHE 88 1.217 -5.977 2.696 656 HD1 PHE 88 1HD PHE 88 3.930 -4.972 5.036 657 HD2 PHE 88 2HD PHE 88 0.653 -3.717 2.651 658 HE1 PHE 88 1HE PHE 88 4.091 -2.671 6.026 659 HE2 PHE 88 2HE PHE 88 0.814 -1.415 3.640 660 HZ PHE 88 HZ PHE 88 2.531 -0.920 5.316 661 H GLU 89 H GLU 89 2.678 -8.680 2.262 662 HA GLU 89 HA GLU 89 0.034 -9.656 2.259 663 1HB GLU 89 1HB GLU 89 0.663 -10.837 0.344 664 2HB GLU 89 2HB GLU 89 1.816 -9.517 0.326 665 1HG GLU 89 1HG GLU 89 3.412 -11.141 0.190 666 2HG GLU 89 2HG GLU 89 3.141 -11.366 1.907 667 H ALA 90 H ALA 90 2.897 -10.378 4.088 668 HA ALA 90 HA ALA 90 1.990 -13.081 4.691 669 1HB ALA 90 1HB ALA 90 4.477 -11.506 5.473 670 2HB ALA 90 2HB ALA 90 4.158 -13.200 5.915 671 3HB ALA 90 3HB ALA 90 4.365 -12.751 4.206 672 H LYS 91 H LYS 91 1.506 -9.862 5.719 673 HA LYS 91 HA LYS 91 0.734 -10.835 8.382 674 1HB LYS 91 1HB LYS 91 2.168 -8.338 7.545 675 2HB LYS 91 2HB LYS 91 1.087 -8.269 8.922 676 1HG LYS 91 1HG LYS 91 2.591 -10.655 9.280 677 2HG LYS 91 2HG LYS 91 3.751 -9.463 8.729 678 1HD LYS 91 1HD LYS 91 3.813 -8.688 10.863 679 2HD LYS 91 2HD LYS 91 2.211 -8.033 10.588 680 1HE LYS 91 1HE LYS 91 1.402 -10.493 11.198 681 2HE LYS 91 2HE LYS 91 2.984 -10.633 11.939 682 1HZ LYS 91 1HZ LYS 91 2.048 -8.226 12.768 683 2HZ LYS 91 2HZ LYS 91 0.731 -9.190 12.832 684 3HZ LYS 91 3HZ LYS 91 2.084 -9.601 13.650 685 H TYR 92 H TYR 92 0.144 -7.874 6.364 686 HA TYR 92 HA TYR 92 -2.526 -7.668 7.194 687 1HB TYR 92 1HB TYR 92 -0.824 -6.686 4.830 688 2HB TYR 92 2HB TYR 92 -2.486 -6.162 5.017 689 HD1 TYR 92 1HD TYR 92 -2.653 -5.775 7.967 690 HD2 TYR 92 2HD TYR 92 0.448 -4.754 5.202 691 HE1 TYR 92 1HE TYR 92 -1.885 -3.905 9.508 692 HE2 TYR 92 2HE TYR 92 1.205 -2.887 6.753 693 HH TYR 92 HH TYR 92 0.554 -2.714 9.814 694 HA PRO 93 HA PRO 93 -4.464 -10.485 4.529 695 1HB PRO 93 1HB PRO 93 -7.055 -9.654 4.787 696 2HB PRO 93 2HB PRO 93 -6.261 -10.694 5.953 697 1HG PRO 93 1HG PRO 93 -6.905 -7.817 6.172 698 2HG PRO 93 2HG PRO 93 -6.514 -8.954 7.447 699 1HD PRO 93 1HD PRO 93 -4.780 -6.957 6.337 700 2HD PRO 93 2HD PRO 93 -4.355 -8.169 7.528 701 H VAL 94 H VAL 94 -4.879 -10.809 2.396 702 HA VAL 94 HA VAL 94 -4.896 -8.322 0.883 703 HB VAL 94 HB VAL 94 -4.604 -11.181 -0.055 704 1HG1 VAL 94 1HG1 VAL 94 -4.539 -10.359 -2.127 705 2HG1 VAL 94 2HG1 VAL 94 -4.988 -8.765 -1.473 706 3HG1 VAL 94 3HG1 VAL 94 -3.272 -9.196 -1.670 707 1HG2 VAL 94 1HG2 VAL 94 -2.247 -10.957 0.057 708 2HG2 VAL 94 2HG2 VAL 94 -2.348 -9.213 0.397 709 3HG2 VAL 94 3HG2 VAL 94 -2.859 -10.391 1.629 710 H VAL 95 H VAL 95 -6.865 -7.445 0.499 711 HA VAL 95 HA VAL 95 -9.161 -9.210 0.359 712 HB VAL 95 HB VAL 95 -10.438 -7.139 0.372 713 1HG1 VAL 95 1HG1 VAL 95 -8.435 -7.815 2.437 714 2HG1 VAL 95 2HG1 VAL 95 -9.119 -6.176 2.563 715 3HG1 VAL 95 3HG1 VAL 95 -10.197 -7.593 2.570 716 1HG2 VAL 95 1HG2 VAL 95 -7.969 -5.480 0.734 717 2HG2 VAL 95 2HG2 VAL 95 -8.469 -5.922 -0.917 718 3HG2 VAL 95 3HG2 VAL 95 -9.581 -5.017 0.138 719 H GLY 96 H GLY 96 -6.767 -8.022 -1.731 720 1HA GLY 96 1HA GLY 96 -7.753 -9.106 -4.031 721 2HA GLY 96 2HA GLY 96 -8.414 -7.484 -4.020 722 H ARG 97 H ARG 97 -6.903 -7.612 -6.085 723 HA ARG 97 HA ARG 97 -4.305 -6.630 -5.211 724 1HB ARG 97 1HB ARG 97 -3.219 -7.744 -7.001 725 2HB ARG 97 2HB ARG 97 -4.405 -8.924 -6.478 726 1HG ARG 97 1HG ARG 97 -5.194 -8.961 -8.604 727 2HG ARG 97 2HG ARG 97 -5.806 -7.340 -8.345 728 1HD ARG 97 1HD ARG 97 -3.619 -6.389 -9.110 729 2HD ARG 97 2HD ARG 97 -3.000 -8.009 -9.362 730 HE ARG 97 HE ARG 97 -4.815 -6.561 -11.113 731 1HH1 ARG 97 2HH2 ARG 97 -3.900 -9.786 -10.044 732 2HH1 ARG 97 1HH2 ARG 97 -4.455 -10.561 -11.490 733 1HH2 ARG 97 2HH1 ARG 97 -5.548 -7.583 -13.021 734 2HH2 ARG 97 1HH1 ARG 97 -5.399 -9.300 -13.195 735 H VAL 98 H VAL 98 -3.526 -4.730 -6.278 736 HA VAL 98 HA VAL 98 -5.461 -2.991 -7.264 737 HB VAL 98 HB VAL 98 -2.450 -3.027 -7.294 738 1HG1 VAL 98 1HG1 VAL 98 -2.618 -1.607 -9.062 739 2HG1 VAL 98 2HG1 VAL 98 -4.307 -1.178 -8.701 740 3HG1 VAL 98 3HG1 VAL 98 -2.982 -0.427 -7.780 741 1HG2 VAL 98 1HG2 VAL 98 -3.018 -0.970 -5.751 742 2HG2 VAL 98 2HG2 VAL 98 -4.596 -1.779 -5.604 743 3HG2 VAL 98 3HG2 VAL 98 -3.111 -2.630 -5.116 744 H VAL 99 H VAL 99 -6.473 -2.901 -9.198 745 HA VAL 99 HA VAL 99 -5.209 -4.347 -11.411 746 HB VAL 99 HB VAL 99 -7.736 -3.821 -12.232 747 1HG1 VAL 99 1HG1 VAL 99 -8.164 -6.112 -11.921 748 2HG1 VAL 99 2HG1 VAL 99 -6.391 -6.009 -12.040 749 3HG1 VAL 99 3HG1 VAL 99 -7.167 -6.194 -10.448 750 1HG2 VAL 99 1HG2 VAL 99 -8.388 -2.737 -10.144 751 2HG2 VAL 99 2HG2 VAL 99 -9.271 -4.268 -10.349 752 3HG2 VAL 99 3HG2 VAL 99 -7.899 -4.177 -9.219 753 H SER 100 H SER 100 -7.212 -1.376 -10.773 754 HA SER 100 HA SER 100 -7.281 0.554 -11.771 755 1HB SER 100 1HB SER 100 -4.932 0.548 -10.705 756 2HB SER 100 2HB SER 100 -4.301 0.253 -12.313 757 HG SER 100 HG SER 100 -4.266 2.472 -12.093 Start of MODEL 8 1 1H GLY -1 H GLY -1 -9.948 -14.560 -11.469 2 1HA GLY -1 1HA GLY -1 -8.460 -13.840 -9.503 3 2HA GLY -1 2HA GLY -1 -9.172 -12.590 -10.504 4 HA PRO 0 HA PRO 0 -10.583 -12.159 -6.116 5 1HB PRO 0 1HB PRO 0 -8.978 -10.124 -5.248 6 2HB PRO 0 2HB PRO 0 -8.648 -11.813 -4.917 7 1HG PRO 0 1HG PRO 0 -7.324 -10.010 -6.849 8 2HG PRO 0 2HG PRO 0 -6.754 -11.536 -6.204 9 1HD PRO 0 1HD PRO 0 -7.864 -11.082 -8.809 10 2HD PRO 0 2HD PRO 0 -7.402 -12.626 -8.121 11 H MET 1 H MET 1 -10.819 -9.609 -5.001 12 HA MET 1 HA MET 1 -12.908 -8.693 -6.634 13 1HB MET 1 1HB MET 1 -11.484 -7.700 -4.127 14 2HB MET 1 2HB MET 1 -12.697 -6.690 -4.889 15 1HG MET 1 1HG MET 1 -14.308 -8.679 -4.759 16 2HG MET 1 2HG MET 1 -13.102 -9.515 -3.801 17 1HE MET 1 1HE MET 1 -14.481 -8.720 -0.522 18 2HE MET 1 2HE MET 1 -14.291 -9.906 -1.836 19 3HE MET 1 3HE MET 1 -12.858 -9.116 -1.135 20 H GLU 2 H GLU 2 -9.490 -7.765 -6.173 21 HA GLU 2 HA GLU 2 -8.201 -6.321 -7.161 22 1HB GLU 2 1HB GLU 2 -10.036 -6.113 -9.550 23 2HB GLU 2 2HB GLU 2 -8.286 -6.194 -9.509 24 1HG GLU 2 1HG GLU 2 -8.400 -8.576 -8.775 25 2HG GLU 2 2HG GLU 2 -10.151 -8.501 -8.776 26 H PHE 3 H PHE 3 -8.029 -4.291 -6.323 27 HA PHE 3 HA PHE 3 -10.353 -2.531 -6.634 28 1HB PHE 3 1HB PHE 3 -7.951 -2.629 -4.713 29 2HB PHE 3 2HB PHE 3 -9.126 -1.329 -4.693 30 HD1 PHE 3 1HD PHE 3 -11.162 -1.559 -3.529 31 HD2 PHE 3 2HD PHE 3 -8.743 -4.981 -4.200 32 HE1 PHE 3 1HE PHE 3 -12.602 -2.885 -1.958 33 HE2 PHE 3 2HE PHE 3 -10.183 -6.307 -2.629 34 HZ PHE 3 HZ PHE 3 -12.095 -5.243 -1.527 35 H THR 4 H THR 4 -10.183 -0.712 -7.875 36 HA THR 4 HA THR 4 -7.676 -0.247 -9.225 37 HB THR 4 HB THR 4 -9.038 1.190 -10.625 38 HG1 THR 4 1HG THR 4 -11.246 1.698 -9.697 39 1HG2 THR 4 1HG2 THR 4 -9.982 -1.443 -9.955 40 2HG2 THR 4 2HG2 THR 4 -11.409 -0.383 -10.052 41 3HG2 THR 4 3HG2 THR 4 -10.307 -0.523 -11.443 42 H ALA 5 H ALA 5 -6.695 1.927 -9.391 43 HA ALA 5 HA ALA 5 -5.920 2.848 -6.919 44 1HB ALA 5 1HB ALA 5 -4.487 3.435 -8.637 45 2HB ALA 5 2HB ALA 5 -5.813 3.863 -9.744 46 3HB ALA 5 3HB ALA 5 -5.360 4.973 -8.429 47 H GLU 6 H GLU 6 -8.777 3.616 -8.873 48 HA GLU 6 HA GLU 6 -9.362 6.011 -7.521 49 1HB GLU 6 1HB GLU 6 -10.849 4.165 -9.390 50 2HB GLU 6 2HB GLU 6 -11.751 5.400 -8.535 51 1HG GLU 6 1HG GLU 6 -11.072 6.915 -10.076 52 2HG GLU 6 2HG GLU 6 -9.427 6.718 -9.506 53 H GLN 7 H GLN 7 -10.482 2.583 -7.218 54 HA GLN 7 HA GLN 7 -12.239 3.213 -5.101 55 1HB GLN 7 1HB GLN 7 -11.727 0.992 -6.792 56 2HB GLN 7 2HB GLN 7 -11.421 0.412 -5.167 57 1HG GLN 7 1HG GLN 7 -13.765 1.921 -4.864 58 2HG GLN 7 2HG GLN 7 -13.979 1.176 -6.436 59 1HE2 GLN 7 1HE2 GLN 7 -15.680 0.476 -4.530 60 2HE2 GLN 7 2HE2 GLN 7 -15.398 -1.127 -3.936 61 H LEU 8 H LEU 8 -8.833 2.217 -5.404 62 HA LEU 8 HA LEU 8 -8.583 1.577 -2.624 63 1HB LEU 8 1HB LEU 8 -7.227 0.379 -4.137 64 2HB LEU 8 2HB LEU 8 -6.665 1.838 -4.928 65 HG LEU 8 HG LEU 8 -5.652 2.394 -2.562 66 1HD1 LEU 8 1HD1 LEU 8 -6.270 -0.537 -2.381 67 2HD1 LEU 8 2HD1 LEU 8 -4.813 0.120 -1.597 68 3HD1 LEU 8 3HD1 LEU 8 -6.420 0.740 -1.150 69 1HD2 LEU 8 1HD2 LEU 8 -3.557 1.325 -3.225 70 2HD2 LEU 8 2HD2 LEU 8 -4.433 0.315 -4.400 71 3HD2 LEU 8 3HD2 LEU 8 -4.366 2.080 -4.619 72 H SER 9 H SER 9 -8.463 4.443 -4.644 73 HA SER 9 HA SER 9 -6.889 5.914 -2.788 74 1HB SER 9 1HB SER 9 -8.403 6.558 -5.326 75 2HB SER 9 2HB SER 9 -7.847 7.869 -4.305 76 HG SER 9 HG SER 9 -6.072 5.761 -5.166 77 H GLN 10 H GLN 10 -9.959 4.670 -2.605 78 HA GLN 10 HA GLN 10 -10.921 7.002 -1.137 79 1HB GLN 10 1HB GLN 10 -13.236 5.931 -1.536 80 2HB GLN 10 2HB GLN 10 -12.457 6.684 -2.913 81 1HG GLN 10 1HG GLN 10 -11.598 4.446 -3.646 82 2HG GLN 10 2HG GLN 10 -12.388 3.696 -2.273 83 1HE2 GLN 10 1HE2 GLN 10 -14.627 3.573 -2.164 84 2HE2 GLN 10 2HE2 GLN 10 -15.650 3.763 -3.549 85 H TYR 11 H TYR 11 -9.135 4.625 -0.351 86 HA TYR 11 HA TYR 11 -10.745 3.851 1.971 87 1HB TYR 11 1HB TYR 11 -8.965 2.130 0.133 88 2HB TYR 11 2HB TYR 11 -9.649 1.542 1.636 89 HD1 TYR 11 1HD TYR 11 -9.990 0.798 -1.506 90 HD2 TYR 11 2HD TYR 11 -12.413 2.680 1.475 91 HE1 TYR 11 1HE TYR 11 -12.089 0.068 -2.742 92 HE2 TYR 11 2HE TYR 11 -14.504 1.945 0.229 93 HH TYR 11 HH TYR 11 -15.238 0.434 -1.315 94 H ASN 12 H ASN 12 -9.051 5.957 2.184 95 HA ASN 12 HA ASN 12 -6.583 4.784 3.187 96 1HB ASN 12 1HB ASN 12 -5.540 6.927 2.856 97 2HB ASN 12 2HB ASN 12 -6.529 6.686 1.429 98 1HD2 ASN 12 1HD2 ASN 12 -7.733 8.308 0.833 99 2HD2 ASN 12 2HD2 ASN 12 -8.360 9.578 1.830 100 H GLY 13 H GLY 13 -9.539 5.252 4.321 101 1HA GLY 13 1HA GLY 13 -10.367 5.528 6.403 102 2HA GLY 13 2HA GLY 13 -8.741 5.784 7.005 103 H THR 14 H THR 14 -11.745 7.274 6.126 104 HA THR 14 HA THR 14 -11.188 9.681 7.337 105 HB THR 14 HB THR 14 -9.809 9.494 4.872 106 HG1 THR 14 1HG THR 14 -9.176 11.027 6.398 107 1HG2 THR 14 1HG2 THR 14 -11.844 9.971 3.569 108 2HG2 THR 14 2HG2 THR 14 -12.297 11.272 4.696 109 3HG2 THR 14 3HG2 THR 14 -10.867 11.457 3.652 110 H ASP 15 H ASP 15 -12.822 8.336 4.398 111 HA ASP 15 HA ASP 15 -15.025 9.923 4.514 112 1HB ASP 15 1HB ASP 15 -14.193 7.546 3.165 113 2HB ASP 15 2HB ASP 15 -15.772 7.185 3.835 114 H GLU 16 H GLU 16 -17.340 8.338 4.808 115 HA GLU 16 HA GLU 16 -17.865 8.462 7.450 116 1HB GLU 16 1HB GLU 16 -19.096 7.167 5.087 117 2HB GLU 16 2HB GLU 16 -19.539 6.410 6.604 118 1HG GLU 16 1HG GLU 16 -21.092 8.064 6.799 119 2HG GLU 16 2HG GLU 16 -19.755 9.107 7.240 120 H SER 17 H SER 17 -18.014 5.178 5.991 121 HA SER 17 HA SER 17 -16.279 4.296 8.164 122 1HB SER 17 1HB SER 17 -18.927 3.223 7.201 123 2HB SER 17 2HB SER 17 -17.748 2.082 7.817 124 HG SER 17 HG SER 17 -19.307 3.946 9.187 125 H LYS 18 H LYS 18 -15.587 5.065 5.382 126 HA LYS 18 HA LYS 18 -15.398 2.853 3.707 127 1HB LYS 18 1HB LYS 18 -14.523 5.588 3.761 128 2HB LYS 18 2HB LYS 18 -13.179 4.581 3.261 129 1HG LYS 18 1HG LYS 18 -14.602 5.307 1.329 130 2HG LYS 18 2HG LYS 18 -14.514 3.563 1.477 131 1HD LYS 18 1HD LYS 18 -16.716 4.195 3.080 132 2HD LYS 18 2HD LYS 18 -16.848 5.360 1.778 133 1HE LYS 18 1HE LYS 18 -17.769 3.718 0.508 134 2HE LYS 18 2HE LYS 18 -16.193 2.952 0.461 135 1HZ LYS 18 1HZ LYS 18 -18.356 2.449 2.374 136 2HZ LYS 18 2HZ LYS 18 -17.675 1.395 1.328 137 3HZ LYS 18 3HZ LYS 18 -16.832 1.918 2.625 138 HA PRO 19 HA PRO 19 -12.314 0.523 5.647 139 1HB PRO 19 1HB PRO 19 -11.693 -1.195 3.614 140 2HB PRO 19 2HB PRO 19 -13.076 -1.416 4.666 141 1HG PRO 19 1HG PRO 19 -13.011 -0.473 1.865 142 2HG PRO 19 2HG PRO 19 -14.367 -1.099 2.781 143 1HD PRO 19 1HD PRO 19 -13.843 1.650 2.153 144 2HD PRO 19 2HD PRO 19 -15.134 1.034 3.166 145 H ILE 20 H ILE 20 -10.024 -0.061 5.688 146 HA ILE 20 HA ILE 20 -8.588 1.972 4.140 147 HB ILE 20 HB ILE 20 -7.646 0.522 6.610 148 1HG1 ILE 20 1HG1 ILE 20 -8.359 3.243 7.149 149 2HG1 ILE 20 2HG1 ILE 20 -9.743 2.450 6.424 150 1HG2 ILE 20 1HG2 ILE 20 -6.443 2.995 6.506 151 2HG2 ILE 20 2HG2 ILE 20 -5.717 1.456 5.982 152 3HG2 ILE 20 3HG2 ILE 20 -6.508 2.518 4.793 153 1HD1 ILE 20 1HD1 ILE 20 -9.572 2.243 8.964 154 2HD1 ILE 20 2HD1 ILE 20 -9.745 0.701 8.092 155 3HD1 ILE 20 3HD1 ILE 20 -8.151 1.204 8.705 156 H TYR 21 H TYR 21 -7.608 1.240 2.339 157 HA TYR 21 HA TYR 21 -6.412 -1.440 2.481 158 1HB TYR 21 1HB TYR 21 -8.019 -0.025 0.264 159 2HB TYR 21 2HB TYR 21 -7.154 -1.525 -0.003 160 HD1 TYR 21 1HD TYR 21 -10.160 -1.000 -0.375 161 HD2 TYR 21 2HD TYR 21 -7.900 -2.614 2.880 162 HE1 TYR 21 1HE TYR 21 -12.195 -2.315 0.395 163 HE2 TYR 21 2HE TYR 21 -9.943 -3.923 3.639 164 HH TYR 21 HH TYR 21 -12.229 -3.958 3.450 165 H VAL 22 H VAL 22 -4.338 -1.594 1.690 166 HA VAL 22 HA VAL 22 -3.282 0.858 0.459 167 HB VAL 22 HB VAL 22 -1.759 -1.210 2.047 168 1HG1 VAL 22 1HG1 VAL 22 -1.099 1.551 0.992 169 2HG1 VAL 22 2HG1 VAL 22 -0.145 0.750 2.263 170 3HG1 VAL 22 3HG1 VAL 22 -0.278 0.009 0.651 171 1HG2 VAL 22 1HG2 VAL 22 -3.641 0.104 3.288 172 2HG2 VAL 22 2HG2 VAL 22 -2.016 0.013 4.009 173 3HG2 VAL 22 3HG2 VAL 22 -2.527 1.486 3.150 174 H ALA 23 H ALA 23 -1.276 0.359 -0.968 175 HA ALA 23 HA ALA 23 -1.773 -2.146 -2.425 176 1HB ALA 23 1HB ALA 23 -1.306 0.667 -3.477 177 2HB ALA 23 2HB ALA 23 -1.149 -0.790 -4.486 178 3HB ALA 23 3HB ALA 23 -2.717 -0.382 -3.750 179 H ILE 24 H ILE 24 0.069 -3.267 -3.130 180 HA ILE 24 HA ILE 24 2.647 -2.017 -2.831 181 HB ILE 24 HB ILE 24 1.724 -4.239 -1.020 182 1HG1 ILE 24 1HG1 ILE 24 2.964 -1.517 -0.532 183 2HG1 ILE 24 2HG1 ILE 24 1.323 -2.010 -0.165 184 1HG2 ILE 24 1HG2 ILE 24 4.488 -3.604 -0.622 185 2HG2 ILE 24 2HG2 ILE 24 3.735 -5.169 -1.007 186 3HG2 ILE 24 3HG2 ILE 24 4.238 -4.077 -2.319 187 1HD1 ILE 24 1HD1 ILE 24 2.441 -3.893 1.284 188 2HD1 ILE 24 2HD1 ILE 24 3.899 -2.879 1.174 189 3HD1 ILE 24 3HD1 ILE 24 2.418 -2.229 1.915 190 H LYS 25 H LYS 25 3.597 -2.506 -4.729 191 HA LYS 25 HA LYS 25 4.335 -3.674 -6.452 192 1HB LYS 25 1HB LYS 25 3.639 -6.015 -4.668 193 2HB LYS 25 2HB LYS 25 4.337 -6.225 -6.262 194 1HG LYS 25 1HG LYS 25 5.618 -4.367 -4.221 195 2HG LYS 25 2HG LYS 25 5.956 -6.087 -4.215 196 1HD LYS 25 1HD LYS 25 6.419 -4.171 -6.549 197 2HD LYS 25 2HD LYS 25 7.661 -4.885 -5.539 198 1HE LYS 25 1HE LYS 25 7.735 -6.415 -7.272 199 2HE LYS 25 2HE LYS 25 6.470 -7.177 -6.328 200 1HZ LYS 25 1HZ LYS 25 6.275 -6.209 -8.885 201 2HZ LYS 25 2HZ LYS 25 5.067 -6.812 -7.965 202 3HZ LYS 25 3HZ LYS 25 5.362 -5.206 -7.975 203 H GLY 26 H GLY 26 1.331 -2.968 -5.821 204 1HA GLY 26 1HA GLY 26 -0.309 -2.775 -7.460 205 2HA GLY 26 2HA GLY 26 0.335 -4.174 -8.296 206 H ARG 27 H ARG 27 0.206 -4.646 -4.873 207 HA ARG 27 HA ARG 27 -2.248 -6.162 -5.257 208 1HB ARG 27 1HB ARG 27 0.111 -7.242 -4.584 209 2HB ARG 27 2HB ARG 27 -0.324 -6.695 -2.977 210 1HG ARG 27 1HG ARG 27 -2.542 -7.912 -3.227 211 2HG ARG 27 2HG ARG 27 -1.973 -8.550 -4.757 212 1HD ARG 27 1HD ARG 27 -0.022 -8.945 -2.566 213 2HD ARG 27 2HD ARG 27 -1.561 -9.716 -2.243 214 HE ARG 27 HE ARG 27 0.380 -10.522 -4.242 215 1HH1 ARG 27 2HH2 ARG 27 -3.073 -10.435 -3.567 216 2HH1 ARG 27 1HH2 ARG 27 -3.438 -11.778 -4.599 217 1HH2 ARG 27 2HH1 ARG 27 -0.102 -12.293 -5.603 218 2HH2 ARG 27 1HH1 ARG 27 -1.737 -12.841 -5.765 219 H VAL 28 H VAL 28 -3.999 -5.741 -3.885 220 HA VAL 28 HA VAL 28 -3.709 -3.461 -2.137 221 HB VAL 28 HB VAL 28 -5.982 -5.088 -3.233 222 1HG1 VAL 28 1HG1 VAL 28 -6.689 -4.788 -0.979 223 2HG1 VAL 28 2HG1 VAL 28 -6.098 -3.110 -0.940 224 3HG1 VAL 28 3HG1 VAL 28 -7.512 -3.532 -1.935 225 1HG2 VAL 28 1HG2 VAL 28 -4.702 -2.560 -3.831 226 2HG2 VAL 28 2HG2 VAL 28 -5.924 -3.461 -4.759 227 3HG2 VAL 28 3HG2 VAL 28 -6.432 -2.323 -3.488 228 H PHE 29 H PHE 29 -3.243 -3.614 -0.009 229 HA PHE 29 HA PHE 29 -3.828 -6.192 1.272 230 1HB PHE 29 1HB PHE 29 -1.619 -4.083 1.599 231 2HB PHE 29 2HB PHE 29 -1.871 -5.334 2.800 232 HD1 PHE 29 1HD PHE 29 -1.889 -7.797 1.844 233 HD2 PHE 29 2HD PHE 29 -0.114 -4.475 -0.110 234 HE1 PHE 29 1HE PHE 29 -0.423 -9.354 0.529 235 HE2 PHE 29 2HE PHE 29 1.352 -6.032 -1.425 236 HZ PHE 29 HZ PHE 29 1.180 -8.452 -1.090 237 H ASP 30 H ASP 30 -4.812 -6.181 3.321 238 HA ASP 30 HA ASP 30 -6.117 -3.701 3.928 239 1HB ASP 30 1HB ASP 30 -6.434 -6.590 4.653 240 2HB ASP 30 2HB ASP 30 -6.947 -5.445 5.876 241 H VAL 31 H VAL 31 -5.642 -2.437 5.783 242 HA VAL 31 HA VAL 31 -3.734 -3.578 7.692 243 HB VAL 31 HB VAL 31 -2.464 -1.544 7.707 244 1HG1 VAL 31 1HG1 VAL 31 -2.573 -1.897 4.770 245 2HG1 VAL 31 2HG1 VAL 31 -1.210 -2.071 5.902 246 3HG1 VAL 31 3HG1 VAL 31 -2.384 -3.396 5.712 247 1HG2 VAL 31 1HG2 VAL 31 -4.705 -0.525 6.022 248 2HG2 VAL 31 2HG2 VAL 31 -3.763 0.287 7.295 249 3HG2 VAL 31 3HG2 VAL 31 -3.071 0.085 5.668 250 H THR 32 H THR 32 -6.803 -2.729 7.264 251 HA THR 32 HA THR 32 -7.395 -0.666 8.994 252 HB THR 32 HB THR 32 -9.279 -1.389 7.859 253 HG1 THR 32 1HG THR 32 -10.301 -1.852 9.770 254 1HG2 THR 32 1HG2 THR 32 -8.608 -3.277 6.614 255 2HG2 THR 32 2HG2 THR 32 -7.949 -4.105 8.045 256 3HG2 THR 32 3HG2 THR 32 -9.709 -4.032 7.791 257 H THR 33 H THR 33 -6.184 -3.892 9.707 258 HA THR 33 HA THR 33 -7.093 -4.172 12.315 259 HB THR 33 HB THR 33 -6.038 -6.020 11.172 260 HG1 THR 33 1HG THR 33 -4.045 -4.881 12.991 261 1HG2 THR 33 1HG2 THR 33 -4.220 -4.016 10.201 262 2HG2 THR 33 2HG2 THR 33 -3.264 -5.166 11.166 263 3HG2 THR 33 3HG2 THR 33 -4.237 -5.749 9.795 264 H GLY 34 H GLY 34 -5.222 -1.648 11.040 265 1HA GLY 34 1HA GLY 34 -4.609 -0.736 13.739 266 2HA GLY 34 2HA GLY 34 -3.238 -0.993 12.678 267 H LYS 35 H LYS 35 -6.583 0.225 11.961 268 HA LYS 35 HA LYS 35 -5.816 2.102 10.126 269 1HB LYS 35 1HB LYS 35 -8.008 2.674 10.084 270 2HB LYS 35 2HB LYS 35 -8.168 1.197 11.012 271 1HG LYS 35 1HG LYS 35 -8.044 2.527 13.137 272 2HG LYS 35 2HG LYS 35 -7.908 4.001 12.199 273 1HD LYS 35 1HD LYS 35 -10.152 3.031 11.044 274 2HD LYS 35 2HD LYS 35 -10.296 2.206 12.584 275 1HE LYS 35 1HE LYS 35 -9.954 4.476 13.727 276 2HE LYS 35 2HE LYS 35 -10.064 5.218 12.144 277 1HZ LYS 35 1HZ LYS 35 -12.133 4.237 13.775 278 2HZ LYS 35 2HZ LYS 35 -12.233 5.167 12.437 279 3HZ LYS 35 3HZ LYS 35 -12.203 3.540 12.300 280 H SER 36 H SER 36 -5.448 2.126 13.615 281 HA SER 36 HA SER 36 -5.393 4.841 14.045 282 1HB SER 36 1HB SER 36 -4.446 2.400 15.421 283 2HB SER 36 2HB SER 36 -3.486 3.815 15.802 284 HG SER 36 HG SER 36 -5.738 3.192 16.951 285 H PHE 37 H PHE 37 -3.252 2.802 12.230 286 HA PHE 37 HA PHE 37 -1.118 4.802 12.404 287 1HB PHE 37 1HB PHE 37 -1.237 1.924 11.314 288 2HB PHE 37 2HB PHE 37 0.221 2.893 11.380 289 HD1 PHE 37 1HD PHE 37 0.821 3.808 13.795 290 HD2 PHE 37 2HD PHE 37 -1.648 0.442 13.036 291 HE1 PHE 37 1HE PHE 37 1.291 2.942 16.104 292 HE2 PHE 37 2HE PHE 37 -1.178 -0.424 15.344 293 HZ PHE 37 HZ PHE 37 0.287 0.836 16.851 294 H TYR 38 H TYR 38 -3.139 2.853 10.126 295 HA TYR 38 HA TYR 38 -2.111 4.411 7.896 296 1HB TYR 38 1HB TYR 38 -3.484 1.838 8.499 297 2HB TYR 38 2HB TYR 38 -4.245 2.662 7.153 298 HD1 TYR 38 1HD TYR 38 -1.648 0.456 8.101 299 HD2 TYR 38 2HD TYR 38 -2.604 3.509 5.260 300 HE1 TYR 38 1HE TYR 38 0.151 -0.427 6.536 301 HE2 TYR 38 2HE TYR 38 -0.802 2.616 3.705 302 HH TYR 38 HH TYR 38 1.427 1.268 4.121 303 H GLY 39 H GLY 39 -5.130 3.865 9.780 304 1HA GLY 39 1HA GLY 39 -7.013 5.098 8.266 305 2HA GLY 39 2HA GLY 39 -6.941 5.192 10.015 306 H SER 40 H SER 40 -8.053 7.350 8.847 307 HA SER 40 HA SER 40 -6.687 9.306 7.741 308 1HB SER 40 1HB SER 40 -8.229 10.191 10.142 309 2HB SER 40 2HB SER 40 -8.361 10.717 8.476 310 HG SER 40 HG SER 40 -10.068 9.169 9.653 311 H GLY 41 H GLY 41 -4.914 10.599 8.177 312 1HA GLY 41 1HA GLY 41 -3.015 11.222 9.231 313 2HA GLY 41 2HA GLY 41 -4.115 11.715 10.504 314 H GLY 42 H GLY 42 -1.956 9.122 9.335 315 1HA GLY 42 1HA GLY 42 -1.553 8.251 12.080 316 2HA GLY 42 2HA GLY 42 -2.252 7.062 10.999 317 H ASP 43 H ASP 43 0.039 6.169 11.876 318 HA ASP 43 HA ASP 43 2.412 7.007 11.120 319 1HB ASP 43 1HB ASP 43 1.304 4.555 11.875 320 2HB ASP 43 2HB ASP 43 2.009 4.181 10.315 321 H TYR 44 H TYR 44 0.121 5.095 9.028 322 HA TYR 44 HA TYR 44 1.732 5.857 6.695 323 1HB TYR 44 1HB TYR 44 -0.589 3.883 6.758 324 2HB TYR 44 2HB TYR 44 0.857 3.812 5.770 325 HD1 TYR 44 1HD TYR 44 3.124 3.477 7.146 326 HD2 TYR 44 2HD TYR 44 -0.775 2.422 8.557 327 HE1 TYR 44 1HE TYR 44 4.155 1.831 8.787 328 HE2 TYR 44 2HE TYR 44 0.269 0.779 10.192 329 HH TYR 44 HH TYR 44 3.589 -0.088 10.003 330 H SER 45 H SER 45 0.513 8.068 7.314 331 HA SER 45 HA SER 45 -2.204 8.141 6.564 332 1HB SER 45 1HB SER 45 -0.660 9.776 8.045 333 2HB SER 45 2HB SER 45 -0.488 10.612 6.515 334 HG SER 45 HG SER 45 -2.916 10.555 6.408 335 H MET 46 H MET 46 0.933 8.517 4.932 336 HA MET 46 HA MET 46 -0.254 9.688 2.613 337 1HB MET 46 1HB MET 46 2.187 9.167 1.737 338 2HB MET 46 2HB MET 46 1.996 10.378 2.989 339 1HG MET 46 1HG MET 46 2.329 7.553 3.942 340 2HG MET 46 2HG MET 46 3.735 8.279 3.189 341 1HE MET 46 1HE MET 46 4.238 11.528 5.104 342 2HE MET 46 2HE MET 46 3.849 10.912 3.480 343 3HE MET 46 3HE MET 46 2.571 11.631 4.488 344 H PHE 47 H PHE 47 0.689 6.465 3.788 345 HA PHE 47 HA PHE 47 0.569 5.252 1.209 346 1HB PHE 47 1HB PHE 47 0.344 4.085 4.047 347 2HB PHE 47 2HB PHE 47 0.808 3.188 2.615 348 HD1 PHE 47 1HD PHE 47 2.527 2.989 4.874 349 HD2 PHE 47 2HD PHE 47 2.418 6.035 1.921 350 HE1 PHE 47 1HE PHE 47 4.940 3.515 5.327 351 HE2 PHE 47 2HE PHE 47 4.830 6.561 2.374 352 HZ PHE 47 HZ PHE 47 6.062 5.294 4.071 353 H ALA 48 H ALA 48 -1.669 5.807 3.947 354 HA ALA 48 HA ALA 48 -3.616 3.995 3.513 355 1HB ALA 48 1HB ALA 48 -3.945 6.968 4.090 356 2HB ALA 48 2HB ALA 48 -5.163 5.709 4.407 357 3HB ALA 48 3HB ALA 48 -3.618 5.698 5.293 358 H GLY 49 H GLY 49 -4.958 3.423 1.868 359 1HA GLY 49 1HA GLY 49 -5.914 3.430 -0.167 360 2HA GLY 49 2HA GLY 49 -6.285 5.113 0.149 361 H LYS 50 H LYS 50 -2.980 3.705 -0.110 362 HA LYS 50 HA LYS 50 -2.656 4.606 -2.804 363 1HB LYS 50 1HB LYS 50 -1.369 6.164 -0.547 364 2HB LYS 50 2HB LYS 50 -0.811 6.225 -2.207 365 1HG LYS 50 1HG LYS 50 -3.290 6.801 -2.817 366 2HG LYS 50 2HG LYS 50 -3.504 7.112 -1.106 367 1HD LYS 50 1HD LYS 50 -2.845 9.236 -1.717 368 2HD LYS 50 2HD LYS 50 -1.246 8.560 -1.483 369 1HE LYS 50 1HE LYS 50 -0.744 8.694 -3.706 370 2HE LYS 50 2HE LYS 50 -2.274 7.982 -4.180 371 1HZ LYS 50 1HZ LYS 50 -2.808 10.504 -3.193 372 2HZ LYS 50 2HZ LYS 50 -1.544 10.664 -4.214 373 3HZ LYS 50 3HZ LYS 50 -2.936 9.989 -4.737 374 H ASP 51 H ASP 51 -0.679 3.814 -3.735 375 HA ASP 51 HA ASP 51 0.290 1.558 -2.261 376 1HB ASP 51 1HB ASP 51 -0.303 1.713 -4.815 377 2HB ASP 51 2HB ASP 51 1.259 2.487 -4.990 378 H ALA 52 H ALA 52 2.112 1.774 -0.955 379 HA ALA 52 HA ALA 52 3.967 3.954 -1.601 380 1HB ALA 52 1HB ALA 52 3.211 2.533 0.971 381 2HB ALA 52 2HB ALA 52 4.667 3.549 0.840 382 3HB ALA 52 3HB ALA 52 3.057 4.261 0.575 383 H SER 53 H SER 53 4.589 2.243 -3.375 384 HA SER 53 HA SER 53 5.993 -0.015 -2.424 385 1HB SER 53 1HB SER 53 5.940 1.333 -5.160 386 2HB SER 53 2HB SER 53 6.718 -0.205 -4.840 387 HG SER 53 HG SER 53 4.601 -0.573 -5.652 388 H ARG 54 H ARG 54 6.974 3.113 -4.010 389 HA ARG 54 HA ARG 54 9.692 2.616 -3.708 390 1HB ARG 54 1HB ARG 54 8.495 5.411 -3.810 391 2HB ARG 54 2HB ARG 54 10.000 4.854 -4.513 392 1HG ARG 54 1HG ARG 54 7.920 3.232 -5.641 393 2HG ARG 54 2HG ARG 54 7.350 4.889 -5.697 394 1HD ARG 54 1HD ARG 54 10.083 5.011 -6.488 395 2HD ARG 54 2HD ARG 54 9.429 3.606 -7.305 396 HE ARG 54 HE ARG 54 8.037 5.005 -8.588 397 1HH1 ARG 54 2HH2 ARG 54 9.433 6.832 -5.924 398 2HH1 ARG 54 1HH2 ARG 54 8.892 8.364 -6.524 399 1HH2 ARG 54 2HH1 ARG 54 7.323 7.026 -9.379 400 2HH2 ARG 54 1HH1 ARG 54 7.683 8.475 -8.502 401 H ALA 55 H ALA 55 7.240 4.372 -1.730 402 HA ALA 55 HA ALA 55 8.986 5.556 0.080 403 1HB ALA 55 1HB ALA 55 6.137 5.086 -0.252 404 2HB ALA 55 2HB ALA 55 6.611 4.883 1.452 405 3HB ALA 55 3HB ALA 55 6.971 6.406 0.604 406 H LEU 56 H LEU 56 7.451 2.291 -0.001 407 HA LEU 56 HA LEU 56 8.366 1.509 2.531 408 1HB LEU 56 1HB LEU 56 7.166 0.237 0.147 409 2HB LEU 56 2HB LEU 56 8.101 -0.823 1.183 410 HG LEU 56 HG LEU 56 6.693 -0.405 3.062 411 1HD1 LEU 56 1HD1 LEU 56 6.086 2.060 1.673 412 2HD1 LEU 56 2HD1 LEU 56 4.596 1.233 2.187 413 3HD1 LEU 56 3HD1 LEU 56 5.854 1.626 3.383 414 1HD2 LEU 56 1HD2 LEU 56 4.400 -0.578 1.321 415 2HD2 LEU 56 2HD2 LEU 56 5.751 -1.532 0.664 416 3HD2 LEU 56 3HD2 LEU 56 5.170 -1.836 2.318 417 H GLY 57 H GLY 57 9.722 1.103 -0.799 418 1HA GLY 57 1HA GLY 57 11.911 -0.456 -0.222 419 2HA GLY 57 2HA GLY 57 11.837 0.759 -1.483 420 H LYS 58 H LYS 58 12.312 3.078 -0.854 421 HA LYS 58 HA LYS 58 14.718 3.195 0.562 422 1HB LYS 58 1HB LYS 58 12.882 5.502 -0.134 423 2HB LYS 58 2HB LYS 58 14.606 5.573 0.167 424 1HG LYS 58 1HG LYS 58 15.147 4.761 -1.920 425 2HG LYS 58 2HG LYS 58 13.812 3.626 -1.944 426 1HD LYS 58 1HD LYS 58 12.782 6.355 -1.998 427 2HD LYS 58 2HD LYS 58 13.971 6.148 -3.269 428 1HE LYS 58 1HE LYS 58 12.520 3.787 -3.476 429 2HE LYS 58 2HE LYS 58 11.277 4.921 -2.985 430 1HZ LYS 58 1HZ LYS 58 11.836 4.692 -5.442 431 2HZ LYS 58 2HZ LYS 58 11.625 6.197 -4.843 432 3HZ LYS 58 3HZ LYS 58 13.132 5.632 -5.121 433 H MET 59 H MET 59 11.408 3.136 1.610 434 HA MET 59 HA MET 59 10.580 3.056 3.633 435 1HB MET 59 1HB MET 59 13.341 3.804 4.737 436 2HB MET 59 2HB MET 59 12.037 3.046 5.630 437 1HG MET 59 1HG MET 59 12.565 1.426 3.295 438 2HG MET 59 2HG MET 59 14.100 1.773 4.065 439 1HE MET 59 1HE MET 59 14.480 -0.884 6.090 440 2HE MET 59 2HE MET 59 13.468 -1.593 4.808 441 3HE MET 59 3HE MET 59 14.610 -0.285 4.419 442 H SER 60 H SER 60 10.484 5.413 2.029 443 HA SER 60 HA SER 60 10.641 7.468 4.093 444 1HB SER 60 1HB SER 60 11.856 7.488 1.614 445 2HB SER 60 2HB SER 60 10.363 8.335 1.261 446 HG SER 60 HG SER 60 10.942 9.613 3.328 447 H LYS 61 H LYS 61 8.909 9.275 3.740 448 HA LYS 61 HA LYS 61 6.396 7.937 3.028 449 1HB LYS 61 1HB LYS 61 5.598 10.032 4.526 450 2HB LYS 61 2HB LYS 61 5.964 8.448 5.180 451 1HG LYS 61 1HG LYS 61 8.215 9.129 5.803 452 2HG LYS 61 2HG LYS 61 8.081 10.626 4.903 453 1HD LYS 61 1HD LYS 61 6.637 11.616 6.484 454 2HD LYS 61 2HD LYS 61 6.070 10.073 7.092 455 1HE LYS 61 1HE LYS 61 8.980 10.875 7.438 456 2HE LYS 61 2HE LYS 61 7.762 11.478 8.544 457 1HZ LYS 61 1HZ LYS 61 8.645 8.743 8.130 458 2HZ LYS 61 2HZ LYS 61 8.372 9.542 9.528 459 3HZ LYS 61 3HZ LYS 61 7.115 8.993 8.641 460 H ASN 62 H ASN 62 8.570 9.567 1.423 461 HA ASN 62 HA ASN 62 7.624 11.984 0.711 462 1HB ASN 62 1HB ASN 62 9.731 11.049 -0.174 463 2HB ASN 62 2HB ASN 62 8.861 9.807 -1.052 464 1HD2 ASN 62 1HD2 ASN 62 7.966 13.203 -0.654 465 2HD2 ASN 62 2HD2 ASN 62 8.079 13.670 -2.318 466 H GLU 63 H GLU 63 5.957 12.752 -0.693 467 HA GLU 63 HA GLU 63 3.820 10.996 -1.130 468 1HB GLU 63 1HB GLU 63 4.426 13.873 -1.804 469 2HB GLU 63 2HB GLU 63 3.056 13.106 -2.582 470 1HG GLU 63 1HG GLU 63 2.194 12.425 -0.302 471 2HG GLU 63 2HG GLU 63 3.523 13.302 0.431 472 H GLU 64 H GLU 64 6.714 11.673 -2.894 473 HA GLU 64 HA GLU 64 5.526 10.993 -5.425 474 1HB GLU 64 1HB GLU 64 8.498 11.214 -5.128 475 2HB GLU 64 2HB GLU 64 7.455 11.827 -6.396 476 1HG GLU 64 1HG GLU 64 6.768 13.144 -3.901 477 2HG GLU 64 2HG GLU 64 8.501 13.250 -4.137 478 H ASP 65 H ASP 65 7.098 9.467 -2.713 479 HA ASP 65 HA ASP 65 8.251 7.337 -4.125 480 1HB ASP 65 1HB ASP 65 7.819 8.156 -1.337 481 2HB ASP 65 2HB ASP 65 7.593 6.428 -1.523 482 H VAL 66 H VAL 66 5.021 8.162 -2.938 483 HA VAL 66 HA VAL 66 3.973 5.556 -2.765 484 HB VAL 66 HB VAL 66 2.702 8.264 -3.193 485 1HG1 VAL 66 1HG1 VAL 66 0.594 7.372 -3.002 486 2HG1 VAL 66 2HG1 VAL 66 1.406 6.049 -3.873 487 3HG1 VAL 66 3HG1 VAL 66 1.158 5.936 -2.114 488 1HG2 VAL 66 1HG2 VAL 66 4.046 7.476 -1.014 489 2HG2 VAL 66 2HG2 VAL 66 2.587 8.492 -0.925 490 3HG2 VAL 66 3HG2 VAL 66 2.470 6.739 -0.639 491 H SER 67 H SER 67 4.879 4.513 -4.683 492 HA SER 67 HA SER 67 3.487 5.360 -7.102 493 1HB SER 67 1HB SER 67 5.309 4.529 -8.401 494 2HB SER 67 2HB SER 67 6.046 5.418 -7.083 495 HG SER 67 HG SER 67 6.000 2.620 -7.583 496 HA PRO 68 HA PRO 68 1.469 1.492 -6.514 497 1HB PRO 68 1HB PRO 68 -0.412 1.780 -8.476 498 2HB PRO 68 2HB PRO 68 -0.615 2.412 -6.854 499 1HG PRO 68 1HG PRO 68 0.019 3.871 -9.346 500 2HG PRO 68 2HG PRO 68 -0.598 4.501 -7.831 501 1HD PRO 68 1HD PRO 68 2.097 4.687 -8.797 502 2HD PRO 68 2HD PRO 68 1.505 5.214 -7.234 503 H SER 69 H SER 69 3.712 2.251 -8.605 504 HA SER 69 HA SER 69 3.673 -0.409 -9.658 505 1HB SER 69 1HB SER 69 2.438 1.395 -11.247 506 2HB SER 69 2HB SER 69 4.089 1.719 -11.739 507 HG SER 69 HG SER 69 4.251 -0.232 -12.686 508 H LEU 70 H LEU 70 5.803 -1.133 -10.192 509 HA LEU 70 HA LEU 70 7.884 0.386 -9.007 510 1HB LEU 70 1HB LEU 70 8.038 -2.111 -10.700 511 2HB LEU 70 2HB LEU 70 9.299 -1.475 -9.663 512 HG LEU 70 HG LEU 70 6.639 -2.151 -8.455 513 1HD1 LEU 70 1HD1 LEU 70 8.273 -4.044 -9.883 514 2HD1 LEU 70 2HD1 LEU 70 8.264 -4.431 -8.146 515 3HD1 LEU 70 3HD1 LEU 70 6.728 -4.290 -9.035 516 1HD2 LEU 70 1HD2 LEU 70 9.198 -1.335 -7.512 517 2HD2 LEU 70 2HD2 LEU 70 7.724 -1.690 -6.580 518 3HD2 LEU 70 3HD2 LEU 70 8.894 -2.987 -6.923 519 H GLU 71 H GLU 71 6.916 2.199 -10.704 520 HA GLU 71 HA GLU 71 8.426 1.976 -13.158 521 1HB GLU 71 1HB GLU 71 7.178 4.124 -13.737 522 2HB GLU 71 2HB GLU 71 6.172 2.708 -13.503 523 1HG GLU 71 1HG GLU 71 5.396 3.442 -11.381 524 2HG GLU 71 2HG GLU 71 6.749 4.531 -11.151 525 H GLY 72 H GLY 72 10.229 2.085 -11.162 526 1HA GLY 72 1HA GLY 72 11.987 4.008 -11.650 527 2HA GLY 72 2HA GLY 72 10.901 4.859 -10.569 528 H LEU 73 H LEU 73 10.270 2.042 -9.301 529 HA LEU 73 HA LEU 73 11.815 2.304 -7.060 530 1HB LEU 73 1HB LEU 73 9.981 0.364 -8.201 531 2HB LEU 73 2HB LEU 73 11.241 -0.418 -7.267 532 HG LEU 73 HG LEU 73 10.356 1.759 -5.695 533 1HD1 LEU 73 1HD1 LEU 73 8.364 1.958 -7.052 534 2HD1 LEU 73 2HD1 LEU 73 8.036 0.216 -6.887 535 3HD1 LEU 73 3HD1 LEU 73 7.943 1.278 -5.461 536 1HD2 LEU 73 1HD2 LEU 73 11.206 -0.542 -5.042 537 2HD2 LEU 73 2HD2 LEU 73 9.845 0.103 -4.093 538 3HD2 LEU 73 3HD2 LEU 73 9.554 -1.132 -5.341 539 H THR 74 H THR 74 13.994 2.361 -6.924 540 HA THR 74 HA THR 74 15.621 1.017 -8.850 541 HB THR 74 HB THR 74 17.403 2.163 -7.704 542 HG1 THR 74 1HG THR 74 16.760 1.316 -5.573 543 1HG2 THR 74 1HG2 THR 74 14.945 3.593 -8.183 544 2HG2 THR 74 2HG2 THR 74 15.618 4.181 -6.644 545 3HG2 THR 74 3HG2 THR 74 16.596 4.256 -8.130 546 H GLU 75 H GLU 75 17.746 -0.019 -7.418 547 HA GLU 75 HA GLU 75 16.690 -2.555 -6.835 548 1HB GLU 75 1HB GLU 75 19.303 -1.336 -7.254 549 2HB GLU 75 2HB GLU 75 19.366 -2.424 -5.882 550 1HG GLU 75 1HG GLU 75 17.861 -3.875 -7.742 551 2HG GLU 75 2HG GLU 75 19.023 -3.042 -8.756 552 H LYS 76 H LYS 76 18.064 0.138 -4.861 553 HA LYS 76 HA LYS 76 18.181 -1.126 -2.430 554 1HB LYS 76 1HB LYS 76 18.987 0.894 -1.973 555 2HB LYS 76 2HB LYS 76 18.309 1.548 -3.451 556 1HG LYS 76 1HG LYS 76 16.097 1.838 -2.283 557 2HG LYS 76 2HG LYS 76 16.816 1.235 -0.803 558 1HD LYS 76 1HD LYS 76 17.909 3.655 -2.307 559 2HD LYS 76 2HD LYS 76 16.715 3.788 -1.031 560 1HE LYS 76 1HE LYS 76 18.376 3.734 0.511 561 2HE LYS 76 2HE LYS 76 18.781 2.106 0.005 562 1HZ LYS 76 1HZ LYS 76 20.683 3.069 -0.579 563 2HZ LYS 76 2HZ LYS 76 19.890 3.555 -1.921 564 3HZ LYS 76 3HZ LYS 76 20.061 4.577 -0.660 565 H GLU 77 H GLU 77 15.375 0.595 -3.948 566 HA GLU 77 HA GLU 77 13.695 -0.085 -1.778 567 1HB GLU 77 1HB GLU 77 11.905 0.669 -3.598 568 2HB GLU 77 2HB GLU 77 12.944 1.845 -2.818 569 1HG GLU 77 1HG GLU 77 14.215 0.627 -5.191 570 2HG GLU 77 2HG GLU 77 12.707 1.428 -5.583 571 H ILE 78 H ILE 78 14.237 -1.320 -5.128 572 HA ILE 78 HA ILE 78 12.161 -3.104 -5.275 573 HB ILE 78 HB ILE 78 14.895 -2.934 -6.453 574 1HG1 ILE 78 1HG1 ILE 78 12.408 -1.913 -7.114 575 2HG1 ILE 78 2HG1 ILE 78 13.816 -1.985 -8.155 576 1HG2 ILE 78 1HG2 ILE 78 14.638 -5.323 -6.051 577 2HG2 ILE 78 2HG2 ILE 78 13.040 -5.301 -6.833 578 3HG2 ILE 78 3HG2 ILE 78 14.502 -4.956 -7.787 579 1HD1 ILE 78 1HD1 ILE 78 11.788 -2.999 -9.216 580 2HD1 ILE 78 2HD1 ILE 78 13.114 -4.174 -9.040 581 3HD1 ILE 78 3HD1 ILE 78 11.737 -4.209 -7.912 582 H ASN 79 H ASN 79 15.130 -3.223 -3.347 583 HA ASN 79 HA ASN 79 14.791 -6.002 -2.794 584 1HB ASN 79 1HB ASN 79 16.732 -3.824 -2.034 585 2HB ASN 79 2HB ASN 79 16.598 -5.170 -0.920 586 1HD2 ASN 79 1HD2 ASN 79 18.402 -4.051 -3.296 587 2HD2 ASN 79 2HD2 ASN 79 18.941 -5.496 -4.085 588 H THR 80 H THR 80 14.474 -2.801 -1.106 589 HA THR 80 HA THR 80 13.504 -3.981 1.316 590 HB THR 80 HB THR 80 13.693 -1.129 0.222 591 HG1 THR 80 1HG THR 80 15.713 -2.132 0.745 592 1HG2 THR 80 1HG2 THR 80 12.017 -0.974 1.950 593 2HG2 THR 80 2HG2 THR 80 12.822 -2.217 2.938 594 3HG2 THR 80 3HG2 THR 80 13.555 -0.604 2.766 595 H LEU 81 H LEU 81 12.015 -2.218 -1.465 596 HA LEU 81 HA LEU 81 9.438 -2.191 -0.444 597 1HB LEU 81 1HB LEU 81 9.969 -0.806 -2.261 598 2HB LEU 81 2HB LEU 81 10.581 -2.137 -3.223 599 HG LEU 81 HG LEU 81 8.301 -1.110 -3.832 600 1HD1 LEU 81 1HD1 LEU 81 7.886 -4.025 -3.596 601 2HD1 LEU 81 2HD1 LEU 81 7.880 -2.967 -5.028 602 3HD1 LEU 81 3HD1 LEU 81 9.424 -3.526 -4.340 603 1HD2 LEU 81 1HD2 LEU 81 7.411 -1.128 -1.513 604 2HD2 LEU 81 2HD2 LEU 81 6.354 -1.945 -2.688 605 3HD2 LEU 81 3HD2 LEU 81 7.363 -2.906 -1.580 606 H ASN 82 H ASN 82 10.972 -4.571 -2.725 607 HA ASN 82 HA ASN 82 8.872 -6.243 -2.965 608 1HB ASN 82 1HB ASN 82 11.874 -6.749 -2.853 609 2HB ASN 82 2HB ASN 82 10.768 -8.083 -3.111 610 1HD2 ASN 82 1HD2 ASN 82 11.193 -8.573 -5.168 611 2HD2 ASN 82 2HD2 ASN 82 10.956 -7.527 -6.529 612 H ASP 83 H ASP 83 11.212 -5.851 -0.278 613 HA ASP 83 HA ASP 83 10.456 -8.228 1.037 614 1HB ASP 83 1HB ASP 83 12.429 -6.185 1.319 615 2HB ASP 83 2HB ASP 83 11.521 -6.173 2.818 616 H TRP 84 H TRP 84 9.500 -4.774 1.051 617 HA TRP 84 HA TRP 84 8.087 -4.726 3.452 618 1HB TRP 84 1HB TRP 84 8.303 -3.077 1.025 619 2HB TRP 84 2HB TRP 84 6.763 -2.948 1.851 620 HD1 TRP 84 HD TRP 84 10.102 -1.421 1.937 621 HE1 TRP 84 1HE TRP 84 10.597 -0.047 4.135 622 HE3 TRP 84 3HE TRP 84 6.215 -3.307 4.619 623 HZ2 TRP 84 2HZ TRP 84 9.336 0.093 6.691 624 HZ3 TRP 84 3HZ TRP 84 5.918 -2.499 6.958 625 HH2 TRP 84 HH TRP 84 7.401 -0.859 7.999 626 H GLU 85 H GLU 85 7.374 -6.008 0.208 627 HA GLU 85 HA GLU 85 4.611 -6.181 0.544 628 1HB GLU 85 1HB GLU 85 5.098 -6.452 -1.676 629 2HB GLU 85 2HB GLU 85 6.654 -7.193 -1.356 630 1HG GLU 85 1HG GLU 85 4.132 -8.738 -0.708 631 2HG GLU 85 2HG GLU 85 4.658 -8.631 -2.376 632 H THR 86 H THR 86 7.299 -8.565 1.034 633 HA THR 86 HA THR 86 5.653 -10.691 1.827 634 HB THR 86 HB THR 86 8.574 -9.914 2.094 635 HG1 THR 86 1HG THR 86 6.979 -12.129 1.008 636 1HG2 THR 86 1HG2 THR 86 8.286 -12.663 2.758 637 2HG2 THR 86 2HG2 THR 86 8.884 -11.373 3.828 638 3HG2 THR 86 3HG2 THR 86 7.157 -11.803 3.831 639 H LYS 87 H LYS 87 6.871 -7.844 3.564 640 HA LYS 87 HA LYS 87 6.246 -8.928 6.130 641 1HB LYS 87 1HB LYS 87 6.753 -6.046 5.337 642 2HB LYS 87 2HB LYS 87 6.823 -6.721 6.952 643 1HG LYS 87 1HG LYS 87 8.832 -7.861 6.549 644 2HG LYS 87 2HG LYS 87 8.531 -8.010 4.829 645 1HD LYS 87 1HD LYS 87 9.859 -6.206 4.487 646 2HD LYS 87 2HD LYS 87 8.663 -5.215 5.298 647 1HE LYS 87 1HE LYS 87 9.911 -5.054 7.217 648 2HE LYS 87 2HE LYS 87 10.366 -6.746 7.181 649 1HZ LYS 87 1HZ LYS 87 11.567 -5.346 5.057 650 2HZ LYS 87 2HZ LYS 87 11.925 -4.627 6.479 651 3HZ LYS 87 3HZ LYS 87 12.274 -6.206 6.252 652 H PHE 88 H PHE 88 4.641 -6.811 3.707 653 HA PHE 88 HA PHE 88 2.412 -6.351 5.452 654 1HB PHE 88 1HB PHE 88 3.514 -5.524 2.819 655 2HB PHE 88 2HB PHE 88 1.778 -5.747 2.738 656 HD1 PHE 88 1HD PHE 88 0.652 -3.751 2.880 657 HD2 PHE 88 2HD PHE 88 4.103 -4.300 5.288 658 HE1 PHE 88 1HE PHE 88 0.313 -1.476 3.885 659 HE2 PHE 88 2HE PHE 88 3.764 -2.025 6.293 660 HZ PHE 88 HZ PHE 88 1.873 -0.641 5.580 661 H GLU 89 H GLU 89 3.134 -8.323 2.506 662 HA GLU 89 HA GLU 89 0.522 -9.277 2.261 663 1HB GLU 89 1HB GLU 89 1.813 -9.465 0.310 664 2HB GLU 89 2HB GLU 89 3.219 -10.068 1.165 665 1HG GLU 89 1HG GLU 89 2.295 -11.948 -0.026 666 2HG GLU 89 2HG GLU 89 1.909 -12.200 1.664 667 H ALA 90 H ALA 90 3.369 -10.298 4.149 668 HA ALA 90 HA ALA 90 1.978 -12.729 4.967 669 1HB ALA 90 1HB ALA 90 4.074 -13.520 5.634 670 2HB ALA 90 2HB ALA 90 4.491 -12.506 4.232 671 3HB ALA 90 3HB ALA 90 4.727 -11.883 5.882 672 H LYS 91 H LYS 91 0.856 -10.145 5.702 673 HA LYS 91 HA LYS 91 0.761 -10.577 8.531 674 1HB LYS 91 1HB LYS 91 2.008 -8.042 7.436 675 2HB LYS 91 2HB LYS 91 1.362 -8.179 9.058 676 1HG LYS 91 1HG LYS 91 2.894 -10.261 9.325 677 2HG LYS 91 2HG LYS 91 3.676 -9.744 7.844 678 1HD LYS 91 1HD LYS 91 3.968 -7.430 8.991 679 2HD LYS 91 2HD LYS 91 3.510 -8.230 10.482 680 1HE LYS 91 1HE LYS 91 5.675 -9.501 8.804 681 2HE LYS 91 2HE LYS 91 6.081 -8.059 9.713 682 1HZ LYS 91 1HZ LYS 91 6.373 -10.222 10.883 683 2HZ LYS 91 2HZ LYS 91 5.499 -9.111 11.700 684 3HZ LYS 91 3HZ LYS 91 4.747 -10.355 10.955 685 H TYR 92 H TYR 92 0.062 -8.139 5.925 686 HA TYR 92 HA TYR 92 -2.559 -7.706 7.073 687 1HB TYR 92 1HB TYR 92 -0.863 -6.685 4.726 688 2HB TYR 92 2HB TYR 92 -2.537 -6.192 4.880 689 HD1 TYR 92 1HD TYR 92 -2.873 -5.715 7.744 690 HD2 TYR 92 2HD TYR 92 0.467 -4.841 5.217 691 HE1 TYR 92 1HE TYR 92 -2.170 -3.840 9.310 692 HE2 TYR 92 2HE TYR 92 1.159 -2.968 6.792 693 HH TYR 92 HH TYR 92 0.561 -2.674 9.610 694 HA PRO 93 HA PRO 93 -4.549 -10.478 4.400 695 1HB PRO 93 1HB PRO 93 -7.133 -9.642 4.710 696 2HB PRO 93 2HB PRO 93 -6.325 -10.700 5.849 697 1HG PRO 93 1HG PRO 93 -6.955 -7.825 6.116 698 2HG PRO 93 2HG PRO 93 -6.548 -8.980 7.369 699 1HD PRO 93 1HD PRO 93 -4.824 -6.974 6.259 700 2HD PRO 93 2HD PRO 93 -4.385 -8.204 7.428 701 H VAL 94 H VAL 94 -4.876 -10.752 2.261 702 HA VAL 94 HA VAL 94 -4.960 -8.249 0.790 703 HB VAL 94 HB VAL 94 -4.571 -11.118 -0.089 704 1HG1 VAL 94 1HG1 VAL 94 -3.550 -9.101 -1.903 705 2HG1 VAL 94 2HG1 VAL 94 -4.677 -10.443 -2.215 706 3HG1 VAL 94 3HG1 VAL 94 -5.295 -8.879 -1.630 707 1HG2 VAL 94 1HG2 VAL 94 -2.302 -9.301 -0.373 708 2HG2 VAL 94 2HG2 VAL 94 -2.817 -9.481 1.321 709 3HG2 VAL 94 3HG2 VAL 94 -2.387 -10.919 0.363 710 H VAL 95 H VAL 95 -6.941 -7.380 0.446 711 HA VAL 95 HA VAL 95 -9.225 -9.157 0.289 712 HB VAL 95 HB VAL 95 -10.527 -7.144 0.412 713 1HG1 VAL 95 1HG1 VAL 95 -8.168 -7.013 2.321 714 2HG1 VAL 95 2HG1 VAL 95 -9.752 -6.239 2.567 715 3HG1 VAL 95 3HG1 VAL 95 -9.627 -8.014 2.517 716 1HG2 VAL 95 1HG2 VAL 95 -8.189 -5.313 0.614 717 2HG2 VAL 95 2HG2 VAL 95 -8.607 -5.901 -1.013 718 3HG2 VAL 95 3HG2 VAL 95 -9.819 -5.030 -0.043 719 H GLY 96 H GLY 96 -6.877 -7.780 -1.796 720 1HA GLY 96 1HA GLY 96 -7.927 -8.875 -4.114 721 2HA GLY 96 2HA GLY 96 -8.494 -7.217 -4.060 722 H ARG 97 H ARG 97 -6.992 -7.447 -6.149 723 HA ARG 97 HA ARG 97 -4.354 -6.576 -5.277 724 1HB ARG 97 1HB ARG 97 -3.313 -7.752 -7.057 725 2HB ARG 97 2HB ARG 97 -4.541 -8.877 -6.513 726 1HG ARG 97 1HG ARG 97 -5.011 -8.927 -8.780 727 2HG ARG 97 2HG ARG 97 -6.044 -7.584 -8.330 728 1HD ARG 97 1HD ARG 97 -4.891 -6.240 -9.749 729 2HD ARG 97 2HD ARG 97 -3.450 -6.464 -8.778 730 HE ARG 97 HE ARG 97 -2.619 -7.814 -10.480 731 1HH1 ARG 97 2HH2 ARG 97 -6.133 -7.961 -10.572 732 2HH1 ARG 97 1HH2 ARG 97 -6.181 -8.995 -11.961 733 1HH2 ARG 97 2HH1 ARG 97 -2.681 -9.178 -12.312 734 2HH2 ARG 97 1HH1 ARG 97 -4.204 -9.692 -12.958 735 H VAL 98 H VAL 98 -3.563 -4.663 -6.252 736 HA VAL 98 HA VAL 98 -5.418 -2.906 -7.339 737 HB VAL 98 HB VAL 98 -2.401 -2.963 -7.300 738 1HG1 VAL 98 1HG1 VAL 98 -4.168 -0.616 -8.073 739 2HG1 VAL 98 2HG1 VAL 98 -2.391 -0.632 -7.968 740 3HG1 VAL 98 3HG1 VAL 98 -3.218 -1.597 -9.214 741 1HG2 VAL 98 1HG2 VAL 98 -2.870 -1.064 -5.617 742 2HG2 VAL 98 2HG2 VAL 98 -4.538 -1.683 -5.592 743 3HG2 VAL 98 3HG2 VAL 98 -3.191 -2.737 -5.101 744 H VAL 99 H VAL 99 -6.147 -2.500 -9.386 745 HA VAL 99 HA VAL 99 -4.884 -4.084 -11.514 746 HB VAL 99 HB VAL 99 -7.311 -3.490 -12.503 747 1HG1 VAL 99 1HG1 VAL 99 -6.289 -5.720 -12.373 748 2HG1 VAL 99 2HG1 VAL 99 -6.698 -5.813 -10.643 749 3HG1 VAL 99 3HG1 VAL 99 -7.994 -5.761 -11.862 750 1HG2 VAL 99 1HG2 VAL 99 -8.999 -3.835 -10.704 751 2HG2 VAL 99 2HG2 VAL 99 -7.700 -3.676 -9.498 752 3HG2 VAL 99 3HG2 VAL 99 -8.110 -2.301 -10.551 753 H SER 100 H SER 100 -6.580 -0.972 -10.745 754 HA SER 100 HA SER 100 -6.565 0.960 -11.765 755 1HB SER 100 1HB SER 100 -4.143 0.576 -10.695 756 2HB SER 100 2HB SER 100 -3.624 0.665 -12.366 757 HG SER 100 HG SER 100 -4.307 2.772 -12.529 Start of MODEL 9 1 1H GLY -1 H GLY -1 -7.986 -14.911 -9.769 2 1HA GLY -1 1HA GLY -1 -8.261 -12.527 -9.477 3 2HA GLY -1 2HA GLY -1 -9.742 -13.226 -10.101 4 HA PRO 0 HA PRO 0 -10.261 -12.098 -5.497 5 1HB PRO 0 1HB PRO 0 -8.672 -10.081 -4.562 6 2HB PRO 0 2HB PRO 0 -8.330 -11.778 -4.286 7 1HG PRO 0 1HG PRO 0 -7.018 -9.902 -6.157 8 2HG PRO 0 2HG PRO 0 -6.437 -11.444 -5.561 9 1HD PRO 0 1HD PRO 0 -7.548 -10.914 -8.152 10 2HD PRO 0 2HD PRO 0 -7.075 -12.476 -7.515 11 H MET 1 H MET 1 -10.476 -9.560 -4.311 12 HA MET 1 HA MET 1 -12.640 -8.638 -5.784 13 1HB MET 1 1HB MET 1 -10.944 -7.524 -3.504 14 2HB MET 1 2HB MET 1 -12.255 -6.569 -4.167 15 1HG MET 1 1HG MET 1 -12.786 -9.439 -3.349 16 2HG MET 1 2HG MET 1 -12.698 -8.200 -2.113 17 1HE MET 1 1HE MET 1 -13.837 -6.189 -2.031 18 2HE MET 1 2HE MET 1 -15.428 -5.804 -2.730 19 3HE MET 1 3HE MET 1 -15.292 -7.034 -1.452 20 H GLU 2 H GLU 2 -9.188 -7.703 -5.702 21 HA GLU 2 HA GLU 2 -8.007 -6.297 -6.864 22 1HB GLU 2 1HB GLU 2 -10.163 -6.947 -8.903 23 2HB GLU 2 2HB GLU 2 -8.818 -5.899 -9.308 24 1HG GLU 2 1HG GLU 2 -7.301 -7.626 -9.336 25 2HG GLU 2 2HG GLU 2 -8.013 -8.414 -7.942 26 H PHE 3 H PHE 3 -7.844 -4.229 -6.111 27 HA PHE 3 HA PHE 3 -10.197 -2.513 -6.448 28 1HB PHE 3 1HB PHE 3 -7.733 -2.389 -4.606 29 2HB PHE 3 2HB PHE 3 -9.041 -1.222 -4.573 30 HD1 PHE 3 1HD PHE 3 -8.304 -4.827 -4.064 31 HD2 PHE 3 2HD PHE 3 -10.932 -1.597 -3.244 32 HE1 PHE 3 1HE PHE 3 -9.530 -6.247 -2.396 33 HE2 PHE 3 2HE PHE 3 -12.158 -3.017 -1.576 34 HZ PHE 3 HZ PHE 3 -11.442 -5.325 -1.172 35 H THR 4 H THR 4 -10.069 -0.724 -7.746 36 HA THR 4 HA THR 4 -7.573 -0.304 -9.155 37 HB THR 4 HB THR 4 -8.986 1.046 -10.627 38 HG1 THR 4 1HG THR 4 -11.005 1.769 -9.799 39 1HG2 THR 4 1HG2 THR 4 -11.137 -0.459 -10.777 40 2HG2 THR 4 2HG2 THR 4 -9.564 -1.223 -11.111 41 3HG2 THR 4 3HG2 THR 4 -10.345 -1.448 -9.527 42 H ALA 5 H ALA 5 -6.751 1.949 -9.510 43 HA ALA 5 HA ALA 5 -5.966 3.043 -7.105 44 1HB ALA 5 1HB ALA 5 -5.465 5.080 -8.672 45 2HB ALA 5 2HB ALA 5 -4.639 3.533 -8.974 46 3HB ALA 5 3HB ALA 5 -6.038 4.004 -9.969 47 H GLU 6 H GLU 6 -8.916 3.509 -9.006 48 HA GLU 6 HA GLU 6 -9.609 5.955 -7.804 49 1HB GLU 6 1HB GLU 6 -11.056 3.883 -9.464 50 2HB GLU 6 2HB GLU 6 -11.981 5.154 -8.689 51 1HG GLU 6 1HG GLU 6 -11.440 6.011 -10.856 52 2HG GLU 6 2HG GLU 6 -10.355 6.838 -9.755 53 H GLN 7 H GLN 7 -10.526 2.498 -7.232 54 HA GLN 7 HA GLN 7 -12.239 3.172 -5.097 55 1HB GLN 7 1HB GLN 7 -11.369 0.756 -6.519 56 2HB GLN 7 2HB GLN 7 -11.504 0.469 -4.796 57 1HG GLN 7 1HG GLN 7 -13.723 0.138 -5.271 58 2HG GLN 7 2HG GLN 7 -13.809 1.887 -5.198 59 1HE2 GLN 7 1HE2 GLN 7 -13.528 3.102 -7.173 60 2HE2 GLN 7 2HE2 GLN 7 -14.053 2.445 -8.687 61 H LEU 8 H LEU 8 -8.833 2.038 -5.406 62 HA LEU 8 HA LEU 8 -8.432 1.685 -2.639 63 1HB LEU 8 1HB LEU 8 -7.056 0.565 -4.239 64 2HB LEU 8 2HB LEU 8 -6.557 2.078 -4.969 65 HG LEU 8 HG LEU 8 -5.673 2.518 -2.463 66 1HD1 LEU 8 1HD1 LEU 8 -4.832 0.580 -1.396 67 2HD1 LEU 8 2HD1 LEU 8 -6.539 0.242 -1.772 68 3HD1 LEU 8 3HD1 LEU 8 -5.250 -0.458 -2.780 69 1HD2 LEU 8 1HD2 LEU 8 -3.460 1.914 -3.247 70 2HD2 LEU 8 2HD2 LEU 8 -4.160 0.912 -4.541 71 3HD2 LEU 8 3HD2 LEU 8 -4.386 2.678 -4.562 72 H SER 9 H SER 9 -8.592 4.486 -4.746 73 HA SER 9 HA SER 9 -7.076 6.134 -2.999 74 1HB SER 9 1HB SER 9 -8.724 6.554 -5.494 75 2HB SER 9 2HB SER 9 -8.297 7.951 -4.526 76 HG SER 9 HG SER 9 -6.623 7.731 -5.989 77 H GLN 10 H GLN 10 -10.126 4.714 -2.796 78 HA GLN 10 HA GLN 10 -11.106 6.946 -1.190 79 1HB GLN 10 1HB GLN 10 -13.413 5.830 -1.635 80 2HB GLN 10 2HB GLN 10 -12.681 6.753 -2.931 81 1HG GLN 10 1HG GLN 10 -11.703 4.586 -3.838 82 2HG GLN 10 2HG GLN 10 -12.602 3.717 -2.610 83 1HE2 GLN 10 1HE2 GLN 10 -14.820 3.563 -2.706 84 2HE2 GLN 10 2HE2 GLN 10 -15.746 3.942 -4.120 85 H TYR 11 H TYR 11 -9.242 4.773 -0.389 86 HA TYR 11 HA TYR 11 -10.838 3.766 1.828 87 1HB TYR 11 1HB TYR 11 -9.096 2.168 -0.149 88 2HB TYR 11 2HB TYR 11 -9.679 1.492 1.359 89 HD1 TYR 11 1HD TYR 11 -12.463 2.383 1.495 90 HD2 TYR 11 2HD TYR 11 -10.191 1.064 -1.881 91 HE1 TYR 11 1HE TYR 11 -14.602 1.649 0.333 92 HE2 TYR 11 2HE TYR 11 -12.338 0.335 -3.032 93 HH TYR 11 HH TYR 11 -15.407 1.262 -1.873 94 H ASN 12 H ASN 12 -9.216 5.849 2.228 95 HA ASN 12 HA ASN 12 -6.706 4.659 3.107 96 1HB ASN 12 1HB ASN 12 -5.715 6.878 2.949 97 2HB ASN 12 2HB ASN 12 -6.597 6.608 1.459 98 1HD2 ASN 12 1HD2 ASN 12 -7.661 8.296 0.796 99 2HD2 ASN 12 2HD2 ASN 12 -8.472 9.483 1.763 100 H GLY 13 H GLY 13 -9.598 4.905 4.335 101 1HA GLY 13 1HA GLY 13 -10.444 5.129 6.408 102 2HA GLY 13 2HA GLY 13 -8.812 5.331 7.014 103 H THR 14 H THR 14 -11.782 6.932 6.061 104 HA THR 14 HA THR 14 -11.194 9.253 7.483 105 HB THR 14 HB THR 14 -9.745 9.242 5.131 106 HG1 THR 14 1HG THR 14 -9.680 10.780 6.931 107 1HG2 THR 14 1HG2 THR 14 -12.369 10.755 4.661 108 2HG2 THR 14 2HG2 THR 14 -10.889 10.973 3.697 109 3HG2 THR 14 3HG2 THR 14 -11.745 9.412 3.673 110 H ASP 15 H ASP 15 -12.896 8.044 4.526 111 HA ASP 15 HA ASP 15 -15.084 9.654 4.771 112 1HB ASP 15 1HB ASP 15 -14.311 7.274 3.319 113 2HB ASP 15 2HB ASP 15 -15.946 7.040 3.906 114 H GLU 16 H GLU 16 -17.399 8.052 4.998 115 HA GLU 16 HA GLU 16 -17.938 8.034 7.616 116 1HB GLU 16 1HB GLU 16 -19.040 6.268 5.398 117 2HB GLU 16 2HB GLU 16 -19.730 6.274 7.009 118 1HG GLU 16 1HG GLU 16 -19.499 9.009 6.379 119 2HG GLU 16 2HG GLU 16 -19.984 8.277 4.863 120 H SER 17 H SER 17 -17.949 4.777 6.099 121 HA SER 17 HA SER 17 -16.191 3.926 8.266 122 1HB SER 17 1HB SER 17 -18.851 2.942 7.416 123 2HB SER 17 2HB SER 17 -17.664 1.664 7.584 124 HG SER 17 HG SER 17 -18.794 3.361 9.555 125 H LYS 18 H LYS 18 -15.825 4.741 5.293 126 HA LYS 18 HA LYS 18 -15.398 2.598 3.664 127 1HB LYS 18 1HB LYS 18 -14.692 5.373 3.750 128 2HB LYS 18 2HB LYS 18 -13.280 4.466 3.250 129 1HG LYS 18 1HG LYS 18 -14.680 5.085 1.295 130 2HG LYS 18 2HG LYS 18 -14.578 3.344 1.469 131 1HD LYS 18 1HD LYS 18 -16.800 3.787 2.979 132 2HD LYS 18 2HD LYS 18 -16.926 5.165 1.904 133 1HE LYS 18 1HE LYS 18 -16.234 2.730 0.414 134 2HE LYS 18 2HE LYS 18 -17.704 2.503 1.341 135 1HZ LYS 18 1HZ LYS 18 -18.753 4.148 0.202 136 2HZ LYS 18 2HZ LYS 18 -17.389 4.958 -0.182 137 3HZ LYS 18 3HZ LYS 18 -17.776 3.587 -0.980 138 HA PRO 19 HA PRO 19 -12.202 0.410 5.599 139 1HB PRO 19 1HB PRO 19 -11.627 -1.364 3.602 140 2HB PRO 19 2HB PRO 19 -12.953 -1.584 4.725 141 1HG PRO 19 1HG PRO 19 -13.044 -0.743 1.893 142 2HG PRO 19 2HG PRO 19 -14.338 -1.371 2.894 143 1HD PRO 19 1HD PRO 19 -13.922 1.366 2.144 144 2HD PRO 19 2HD PRO 19 -15.146 0.754 3.238 145 H ILE 20 H ILE 20 -9.920 0.045 5.683 146 HA ILE 20 HA ILE 20 -8.611 2.017 3.973 147 HB ILE 20 HB ILE 20 -7.518 0.635 6.420 148 1HG1 ILE 20 1HG1 ILE 20 -8.229 3.314 7.015 149 2HG1 ILE 20 2HG1 ILE 20 -9.632 2.588 6.256 150 1HG2 ILE 20 1HG2 ILE 20 -5.636 1.644 5.809 151 2HG2 ILE 20 2HG2 ILE 20 -6.454 2.511 4.487 152 3HG2 ILE 20 3HG2 ILE 20 -6.440 3.200 6.128 153 1HD1 ILE 20 1HD1 ILE 20 -9.632 0.738 7.850 154 2HD1 ILE 20 2HD1 ILE 20 -8.082 1.280 8.536 155 3HD1 ILE 20 3HD1 ILE 20 -9.547 2.266 8.760 156 H TYR 21 H TYR 21 -7.587 1.330 2.179 157 HA TYR 21 HA TYR 21 -6.396 -1.355 2.276 158 1HB TYR 21 1HB TYR 21 -8.062 0.110 0.141 159 2HB TYR 21 2HB TYR 21 -7.117 -1.313 -0.250 160 HD1 TYR 21 1HD TYR 21 -10.296 -0.540 -0.074 161 HD2 TYR 21 2HD TYR 21 -7.599 -3.052 2.098 162 HE1 TYR 21 1HE TYR 21 -12.235 -2.026 0.630 163 HE2 TYR 21 2HE TYR 21 -9.547 -4.530 2.794 164 HH TYR 21 HH TYR 21 -12.846 -3.804 1.684 165 H VAL 22 H VAL 22 -4.283 -1.428 1.652 166 HA VAL 22 HA VAL 22 -3.218 1.026 0.447 167 HB VAL 22 HB VAL 22 -1.750 -1.150 1.944 168 1HG1 VAL 22 1HG1 VAL 22 -0.115 -0.048 0.742 169 2HG1 VAL 22 2HG1 VAL 22 -0.986 1.504 0.766 170 3HG1 VAL 22 3HG1 VAL 22 -0.155 0.927 2.231 171 1HG2 VAL 22 1HG2 VAL 22 -3.556 0.166 3.252 172 2HG2 VAL 22 2HG2 VAL 22 -1.916 0.067 3.936 173 3HG2 VAL 22 3HG2 VAL 22 -2.445 1.548 3.103 174 H ALA 23 H ALA 23 -1.070 0.430 -0.879 175 HA ALA 23 HA ALA 23 -1.631 -1.954 -2.488 176 1HB ALA 23 1HB ALA 23 -1.162 0.882 -3.486 177 2HB ALA 23 2HB ALA 23 -1.116 -0.566 -4.521 178 3HB ALA 23 3HB ALA 23 -2.627 -0.106 -3.700 179 H ILE 24 H ILE 24 0.231 -2.982 -3.319 180 HA ILE 24 HA ILE 24 2.785 -1.698 -2.870 181 HB ILE 24 HB ILE 24 1.730 -3.916 -1.215 182 1HG1 ILE 24 1HG1 ILE 24 3.722 -1.669 -0.818 183 2HG1 ILE 24 2HG1 ILE 24 2.083 -1.760 -0.205 184 1HG2 ILE 24 1HG2 ILE 24 4.133 -4.691 -0.835 185 2HG2 ILE 24 2HG2 ILE 24 3.322 -5.239 -2.322 186 3HG2 ILE 24 3HG2 ILE 24 4.508 -3.914 -2.392 187 1HD1 ILE 24 1HD1 ILE 24 3.088 -4.099 0.806 188 2HD1 ILE 24 2HD1 ILE 24 4.556 -3.093 0.789 189 3HD1 ILE 24 3HD1 ILE 24 3.117 -2.552 1.684 190 H LYS 25 H LYS 25 3.719 -1.868 -4.832 191 HA LYS 25 HA LYS 25 4.376 -2.695 -6.769 192 1HB LYS 25 1HB LYS 25 4.083 -5.444 -5.531 193 2HB LYS 25 2HB LYS 25 5.117 -4.984 -6.868 194 1HG LYS 25 1HG LYS 25 6.738 -4.170 -5.483 195 2HG LYS 25 2HG LYS 25 5.582 -3.289 -4.505 196 1HD LYS 25 1HD LYS 25 6.513 -4.921 -3.028 197 2HD LYS 25 2HD LYS 25 4.931 -5.548 -3.448 198 1HE LYS 25 1HE LYS 25 7.028 -7.147 -3.570 199 2HE LYS 25 2HE LYS 25 5.804 -7.242 -4.821 200 1HZ LYS 25 1HZ LYS 25 8.093 -7.094 -5.653 201 2HZ LYS 25 2HZ LYS 25 7.136 -5.901 -6.225 202 3HZ LYS 25 3HZ LYS 25 8.218 -5.584 -5.044 203 H GLY 26 H GLY 26 1.387 -2.465 -5.941 204 1HA GLY 26 1HA GLY 26 -0.356 -2.405 -7.495 205 2HA GLY 26 2HA GLY 26 0.384 -3.709 -8.401 206 H ARG 27 H ARG 27 0.437 -4.140 -4.939 207 HA ARG 27 HA ARG 27 -1.776 -6.004 -5.243 208 1HB ARG 27 1HB ARG 27 0.662 -6.799 -4.637 209 2HB ARG 27 2HB ARG 27 0.327 -6.146 -3.046 210 1HG ARG 27 1HG ARG 27 -1.820 -7.578 -3.045 211 2HG ARG 27 2HG ARG 27 -1.197 -8.360 -4.485 212 1HD ARG 27 1HD ARG 27 0.922 -8.296 -2.514 213 2HD ARG 27 2HD ARG 27 -0.525 -8.906 -1.736 214 HE ARG 27 HE ARG 27 -0.199 -10.159 -4.314 215 1HH1 ARG 27 2HH2 ARG 27 1.115 -10.183 -1.051 216 2HH1 ARG 27 1HH2 ARG 27 1.655 -11.827 -1.143 217 1HH2 ARG 27 2HH1 ARG 27 0.512 -12.327 -4.437 218 2HH2 ARG 27 1HH1 ARG 27 1.310 -13.054 -3.082 219 H VAL 28 H VAL 28 -3.597 -5.657 -3.982 220 HA VAL 28 HA VAL 28 -3.549 -3.390 -2.200 221 HB VAL 28 HB VAL 28 -5.738 -5.267 -3.110 222 1HG1 VAL 28 1HG1 VAL 28 -6.433 -4.429 -0.996 223 2HG1 VAL 28 2HG1 VAL 28 -5.836 -2.793 -1.364 224 3HG1 VAL 28 3HG1 VAL 28 -7.258 -3.435 -2.221 225 1HG2 VAL 28 1HG2 VAL 28 -5.556 -2.373 -3.877 226 2HG2 VAL 28 2HG2 VAL 28 -4.516 -3.555 -4.708 227 3HG2 VAL 28 3HG2 VAL 28 -6.285 -3.743 -4.749 228 H PHE 29 H PHE 29 -3.149 -3.515 -0.055 229 HA PHE 29 HA PHE 29 -3.516 -6.151 1.187 230 1HB PHE 29 1HB PHE 29 -1.510 -3.858 1.513 231 2HB PHE 29 2HB PHE 29 -1.722 -5.026 2.802 232 HD1 PHE 29 1HD PHE 29 -1.605 -7.570 1.951 233 HD2 PHE 29 2HD PHE 29 0.179 -4.250 0.000 234 HE1 PHE 29 1HE PHE 29 0.027 -9.109 0.824 235 HE2 PHE 29 2HE PHE 29 1.811 -5.789 -1.127 236 HZ PHE 29 HZ PHE 29 1.715 -8.200 -0.702 237 H ASP 30 H ASP 30 -4.240 -6.170 3.434 238 HA ASP 30 HA ASP 30 -5.934 -3.879 3.939 239 1HB ASP 30 1HB ASP 30 -7.263 -5.781 4.156 240 2HB ASP 30 2HB ASP 30 -5.930 -6.782 4.696 241 H VAL 31 H VAL 31 -5.439 -2.466 5.643 242 HA VAL 31 HA VAL 31 -3.545 -3.434 7.663 243 HB VAL 31 HB VAL 31 -2.342 -1.380 7.586 244 1HG1 VAL 31 1HG1 VAL 31 -1.093 -1.872 5.759 245 2HG1 VAL 31 2HG1 VAL 31 -2.192 -3.268 5.646 246 3HG1 VAL 31 3HG1 VAL 31 -2.488 -1.819 4.654 247 1HG2 VAL 31 1HG2 VAL 31 -3.014 0.195 5.532 248 2HG2 VAL 31 2HG2 VAL 31 -4.626 -0.470 5.891 249 3HG2 VAL 31 3HG2 VAL 31 -3.718 0.394 7.155 250 H THR 32 H THR 32 -6.642 -2.630 7.063 251 HA THR 32 HA THR 32 -7.314 -0.555 8.748 252 HB THR 32 HB THR 32 -9.163 -1.280 7.568 253 HG1 THR 32 1HG THR 32 -10.436 -2.627 9.032 254 1HG2 THR 32 1HG2 THR 32 -9.569 -3.894 7.373 255 2HG2 THR 32 2HG2 THR 32 -8.357 -3.130 6.316 256 3HG2 THR 32 3HG2 THR 32 -7.839 -4.007 7.776 257 H THR 33 H THR 33 -6.097 -3.751 9.546 258 HA THR 33 HA THR 33 -7.131 -4.011 12.117 259 HB THR 33 HB THR 33 -5.351 -5.659 12.354 260 HG1 THR 33 1HG THR 33 -4.201 -4.304 10.023 261 1HG2 THR 33 1HG2 THR 33 -6.851 -5.475 9.891 262 2HG2 THR 33 2HG2 THR 33 -5.198 -5.999 9.488 263 3HG2 THR 33 3HG2 THR 33 -6.171 -6.936 10.648 264 H GLY 34 H GLY 34 -5.220 -1.497 10.894 265 1HA GLY 34 1HA GLY 34 -4.715 -0.555 13.602 266 2HA GLY 34 2HA GLY 34 -3.299 -0.833 12.609 267 H LYS 35 H LYS 35 -6.604 0.393 11.734 268 HA LYS 35 HA LYS 35 -5.748 2.238 9.905 269 1HB LYS 35 1HB LYS 35 -7.933 2.842 9.771 270 2HB LYS 35 2HB LYS 35 -8.137 1.356 10.677 271 1HG LYS 35 1HG LYS 35 -8.098 2.672 12.818 272 2HG LYS 35 2HG LYS 35 -7.932 4.152 11.895 273 1HD LYS 35 1HD LYS 35 -10.170 2.617 10.844 274 2HD LYS 35 2HD LYS 35 -10.347 2.779 12.580 275 1HE LYS 35 1HE LYS 35 -10.292 5.183 12.478 276 2HE LYS 35 2HE LYS 35 -9.657 5.182 10.844 277 1HZ LYS 35 1HZ LYS 35 -11.772 5.391 10.272 278 2HZ LYS 35 2HZ LYS 35 -11.942 3.801 10.602 279 3HZ LYS 35 3HZ LYS 35 -12.348 4.916 11.724 280 H SER 36 H SER 36 -5.517 2.306 13.403 281 HA SER 36 HA SER 36 -5.485 5.016 13.822 282 1HB SER 36 1HB SER 36 -4.818 2.618 15.273 283 2HB SER 36 2HB SER 36 -3.518 3.767 15.520 284 HG SER 36 HG SER 36 -5.062 4.187 17.111 285 H PHE 37 H PHE 37 -3.272 2.991 12.072 286 HA PHE 37 HA PHE 37 -1.181 5.035 12.269 287 1HB PHE 37 1HB PHE 37 -1.256 2.101 11.344 288 2HB PHE 37 2HB PHE 37 0.183 3.095 11.236 289 HD1 PHE 37 1HD PHE 37 1.719 2.957 12.949 290 HD2 PHE 37 2HD PHE 37 -2.339 2.036 13.782 291 HE1 PHE 37 1HE PHE 37 2.348 2.303 15.289 292 HE2 PHE 37 2HE PHE 37 -1.710 1.382 16.122 293 HZ PHE 37 HZ PHE 37 0.626 1.523 16.848 294 H TYR 38 H TYR 38 -3.088 2.982 9.983 295 HA TYR 38 HA TYR 38 -2.023 4.488 7.739 296 1HB TYR 38 1HB TYR 38 -3.387 1.928 8.385 297 2HB TYR 38 2HB TYR 38 -4.148 2.710 7.014 298 HD1 TYR 38 1HD TYR 38 -2.439 3.585 5.151 299 HD2 TYR 38 2HD TYR 38 -1.600 0.495 7.989 300 HE1 TYR 38 1HE TYR 38 -0.619 2.672 3.629 301 HE2 TYR 38 2HE TYR 38 0.217 -0.408 6.457 302 HH TYR 38 HH TYR 38 1.441 1.355 3.879 303 H GLY 39 H GLY 39 -5.094 3.983 9.553 304 1HA GLY 39 1HA GLY 39 -6.914 5.205 7.932 305 2HA GLY 39 2HA GLY 39 -6.933 5.279 9.683 306 H SER 40 H SER 40 -7.999 7.454 8.592 307 HA SER 40 HA SER 40 -6.651 9.437 7.527 308 1HB SER 40 1HB SER 40 -8.281 10.861 8.369 309 2HB SER 40 2HB SER 40 -9.048 9.312 8.656 310 HG SER 40 HG SER 40 -8.876 11.006 10.488 311 H GLY 41 H GLY 41 -4.970 10.863 8.014 312 1HA GLY 41 1HA GLY 41 -2.999 11.374 9.033 313 2HA GLY 41 2HA GLY 41 -4.092 11.896 10.300 314 H GLY 42 H GLY 42 -1.968 9.263 9.160 315 1HA GLY 42 1HA GLY 42 -1.608 8.400 11.919 316 2HA GLY 42 2HA GLY 42 -2.282 7.213 10.819 317 H ASP 43 H ASP 43 0.027 6.386 11.805 318 HA ASP 43 HA ASP 43 2.396 7.223 11.065 319 1HB ASP 43 1HB ASP 43 1.263 4.741 11.786 320 2HB ASP 43 2HB ASP 43 2.120 4.392 10.298 321 H TYR 44 H TYR 44 0.193 5.209 8.972 322 HA TYR 44 HA TYR 44 1.841 5.927 6.656 323 1HB TYR 44 1HB TYR 44 -0.511 3.990 6.713 324 2HB TYR 44 2HB TYR 44 0.954 3.874 5.758 325 HD1 TYR 44 1HD TYR 44 -0.760 2.506 8.477 326 HD2 TYR 44 2HD TYR 44 3.189 3.605 7.253 327 HE1 TYR 44 1HE TYR 44 0.224 0.886 10.172 328 HE2 TYR 44 2HE TYR 44 4.160 1.982 8.951 329 HH TYR 44 HH TYR 44 3.246 1.011 11.238 330 H SER 45 H SER 45 0.611 8.163 7.247 331 HA SER 45 HA SER 45 -2.075 8.242 6.384 332 1HB SER 45 1HB SER 45 -0.577 9.871 7.931 333 2HB SER 45 2HB SER 45 -0.371 10.718 6.411 334 HG SER 45 HG SER 45 -2.676 10.900 6.220 335 H MET 46 H MET 46 1.134 8.639 4.898 336 HA MET 46 HA MET 46 0.050 9.814 2.532 337 1HB MET 46 1HB MET 46 2.501 9.388 1.746 338 2HB MET 46 2HB MET 46 2.295 10.477 3.104 339 1HG MET 46 1HG MET 46 2.564 7.591 3.835 340 2HG MET 46 2HG MET 46 3.990 8.306 3.111 341 1HE MET 46 1HE MET 46 4.656 11.398 5.231 342 2HE MET 46 2HE MET 46 4.255 10.894 3.572 343 3HE MET 46 3HE MET 46 3.001 11.612 4.612 344 H PHE 47 H PHE 47 0.763 6.590 3.775 345 HA PHE 47 HA PHE 47 0.810 5.385 1.169 346 1HB PHE 47 1HB PHE 47 0.459 4.183 3.978 347 2HB PHE 47 2HB PHE 47 1.019 3.321 2.559 348 HD1 PHE 47 1HD PHE 47 2.652 6.148 1.958 349 HD2 PHE 47 2HD PHE 47 2.580 3.156 4.967 350 HE1 PHE 47 1HE PHE 47 5.025 6.697 2.560 351 HE2 PHE 47 2HE PHE 47 4.954 3.705 5.569 352 HZ PHE 47 HZ PHE 47 6.148 5.469 4.359 353 H ALA 48 H ALA 48 -1.519 5.936 3.831 354 HA ALA 48 HA ALA 48 -3.458 4.126 3.262 355 1HB ALA 48 1HB ALA 48 -3.993 7.048 3.901 356 2HB ALA 48 2HB ALA 48 -4.953 5.626 4.378 357 3HB ALA 48 3HB ALA 48 -3.347 5.897 5.096 358 H GLY 49 H GLY 49 -4.788 3.678 1.566 359 1HA GLY 49 1HA GLY 49 -5.749 3.835 -0.458 360 2HA GLY 49 2HA GLY 49 -5.999 5.531 -0.098 361 H LYS 50 H LYS 50 -2.767 3.987 -0.277 362 HA LYS 50 HA LYS 50 -2.334 4.876 -2.966 363 1HB LYS 50 1HB LYS 50 -0.938 6.307 -0.685 364 2HB LYS 50 2HB LYS 50 -0.481 6.426 -2.372 365 1HG LYS 50 1HG LYS 50 -2.909 7.167 -2.847 366 2HG LYS 50 2HG LYS 50 -3.117 7.298 -1.112 367 1HD LYS 50 1HD LYS 50 -2.233 9.383 -1.221 368 2HD LYS 50 2HD LYS 50 -0.691 8.659 -1.631 369 1HE LYS 50 1HE LYS 50 -0.905 9.125 -3.893 370 2HE LYS 50 2HE LYS 50 -2.643 8.900 -3.890 371 1HZ LYS 50 1HZ LYS 50 -1.148 11.273 -3.476 372 2HZ LYS 50 2HZ LYS 50 -2.718 11.095 -3.891 373 3HZ LYS 50 3HZ LYS 50 -2.280 11.057 -2.319 374 H ASP 51 H ASP 51 -0.300 4.064 -3.824 375 HA ASP 51 HA ASP 51 0.460 1.695 -2.406 376 1HB ASP 51 1HB ASP 51 0.049 1.637 -4.854 377 2HB ASP 51 2HB ASP 51 1.304 2.833 -5.112 378 H ALA 52 H ALA 52 1.787 2.456 -0.643 379 HA ALA 52 HA ALA 52 3.932 4.303 -1.221 380 1HB ALA 52 1HB ALA 52 3.239 2.825 1.348 381 2HB ALA 52 2HB ALA 52 4.276 4.262 1.180 382 3HB ALA 52 3HB ALA 52 2.528 4.384 0.865 383 H SER 53 H SER 53 4.345 2.206 -2.883 384 HA SER 53 HA SER 53 5.832 0.157 -1.628 385 1HB SER 53 1HB SER 53 6.472 -0.357 -4.078 386 2HB SER 53 2HB SER 53 4.775 -0.464 -3.655 387 HG SER 53 HG SER 53 4.346 1.484 -4.687 388 H ARG 54 H ARG 54 6.608 3.088 -3.616 389 HA ARG 54 HA ARG 54 9.353 2.643 -3.581 390 1HB ARG 54 1HB ARG 54 8.158 5.428 -3.745 391 2HB ARG 54 2HB ARG 54 9.524 4.774 -4.628 392 1HG ARG 54 1HG ARG 54 7.567 3.080 -5.511 393 2HG ARG 54 2HG ARG 54 6.592 4.499 -5.184 394 1HD ARG 54 1HD ARG 54 9.104 4.472 -6.929 395 2HD ARG 54 2HD ARG 54 7.461 4.458 -7.539 396 HE ARG 54 HE ARG 54 7.447 6.673 -5.908 397 1HH1 ARG 54 2HH2 ARG 54 9.610 5.620 -8.476 398 2HH1 ARG 54 1HH2 ARG 54 10.047 7.229 -8.943 399 1HH2 ARG 54 2HH1 ARG 54 8.024 8.797 -6.523 400 2HH2 ARG 54 1HH1 ARG 54 9.139 9.049 -7.824 401 H ALA 55 H ALA 55 7.159 4.743 -1.593 402 HA ALA 55 HA ALA 55 9.146 5.905 -0.029 403 1HB ALA 55 1HB ALA 55 6.399 6.085 -0.316 404 2HB ALA 55 2HB ALA 55 6.572 5.390 1.314 405 3HB ALA 55 3HB ALA 55 7.365 6.933 0.915 406 H LEU 56 H LEU 56 7.560 2.721 0.069 407 HA LEU 56 HA LEU 56 8.442 2.120 2.710 408 1HB LEU 56 1HB LEU 56 7.099 0.672 0.475 409 2HB LEU 56 2HB LEU 56 7.872 -0.276 1.731 410 HG LEU 56 HG LEU 56 5.897 1.897 2.422 411 1HD1 LEU 56 1HD1 LEU 56 5.290 -0.398 0.873 412 2HD1 LEU 56 2HD1 LEU 56 4.655 -0.682 2.511 413 3HD1 LEU 56 3HD1 LEU 56 4.169 0.773 1.609 414 1HD2 LEU 56 1HD2 LEU 56 7.440 -0.068 3.883 415 2HD2 LEU 56 2HD2 LEU 56 6.468 1.298 4.482 416 3HD2 LEU 56 3HD2 LEU 56 5.696 -0.276 4.176 417 H GLY 57 H GLY 57 9.620 1.505 -0.637 418 1HA GLY 57 1HA GLY 57 11.708 -0.237 0.003 419 2HA GLY 57 2HA GLY 57 11.613 0.805 -1.402 420 H LYS 58 H LYS 58 12.263 3.152 -1.120 421 HA LYS 58 HA LYS 58 14.778 3.307 0.053 422 1HB LYS 58 1HB LYS 58 12.959 5.616 -0.685 423 2HB LYS 58 2HB LYS 58 14.705 5.646 -0.553 424 1HG LYS 58 1HG LYS 58 14.834 5.064 -2.739 425 2HG LYS 58 2HG LYS 58 14.155 3.502 -2.327 426 1HD LYS 58 1HD LYS 58 12.046 4.055 -3.089 427 2HD LYS 58 2HD LYS 58 12.163 5.716 -2.544 428 1HE LYS 58 1HE LYS 58 14.055 5.059 -4.736 429 2HE LYS 58 2HE LYS 58 12.373 4.874 -5.190 430 1HZ LYS 58 1HZ LYS 58 12.226 7.051 -5.305 431 2HZ LYS 58 2HZ LYS 58 12.635 7.224 -3.733 432 3HZ LYS 58 3HZ LYS 58 13.794 7.223 -4.883 433 H MET 59 H MET 59 11.571 3.599 1.407 434 HA MET 59 HA MET 59 10.884 3.883 3.452 435 1HB MET 59 1HB MET 59 13.863 3.933 4.195 436 2HB MET 59 2HB MET 59 12.557 3.774 5.353 437 1HG MET 59 1HG MET 59 12.121 1.569 4.778 438 2HG MET 59 2HG MET 59 12.512 1.814 3.088 439 1HE MET 59 1HE MET 59 13.050 -0.297 5.332 440 2HE MET 59 2HE MET 59 14.762 -0.782 5.371 441 3HE MET 59 3HE MET 59 14.148 0.410 6.541 442 H SER 60 H SER 60 10.720 6.116 1.991 443 HA SER 60 HA SER 60 11.915 8.197 3.643 444 1HB SER 60 1HB SER 60 12.167 7.967 0.978 445 2HB SER 60 2HB SER 60 10.622 8.794 0.988 446 HG SER 60 HG SER 60 11.879 10.543 1.108 447 H LYS 61 H LYS 61 9.004 6.521 2.856 448 HA LYS 61 HA LYS 61 6.857 6.868 3.260 449 1HB LYS 61 1HB LYS 61 6.294 7.647 5.424 450 2HB LYS 61 2HB LYS 61 7.865 6.885 5.568 451 1HG LYS 61 1HG LYS 61 8.999 8.936 5.825 452 2HG LYS 61 2HG LYS 61 7.755 9.851 4.996 453 1HD LYS 61 1HD LYS 61 6.266 8.981 7.085 454 2HD LYS 61 2HD LYS 61 7.839 8.913 7.854 455 1HE LYS 61 1HE LYS 61 8.060 11.201 7.911 456 2HE LYS 61 2HE LYS 61 7.379 11.410 6.309 457 1HZ LYS 61 1HZ LYS 61 6.056 11.396 8.852 458 2HZ LYS 61 2HZ LYS 61 5.660 12.179 7.475 459 3HZ LYS 61 3HZ LYS 61 5.256 10.608 7.666 460 H ASN 62 H ASN 62 8.438 8.814 1.484 461 HA ASN 62 HA ASN 62 7.243 11.318 1.831 462 1HB ASN 62 1HB ASN 62 8.666 9.931 -0.480 463 2HB ASN 62 2HB ASN 62 7.964 11.521 -0.705 464 1HD2 ASN 62 1HD2 ASN 62 9.638 12.838 -0.808 465 2HD2 ASN 62 2HD2 ASN 62 10.888 13.015 0.377 466 H GLU 63 H GLU 63 5.360 12.200 0.788 467 HA GLU 63 HA GLU 63 3.419 10.310 0.050 468 1HB GLU 63 1HB GLU 63 3.304 12.813 1.067 469 2HB GLU 63 2HB GLU 63 3.056 13.216 -0.620 470 1HG GLU 63 1HG GLU 63 1.438 10.892 0.090 471 2HG GLU 63 2HG GLU 63 1.129 12.197 1.217 472 H GLU 64 H GLU 64 5.929 12.002 -1.670 473 HA GLU 64 HA GLU 64 4.548 11.752 -4.185 474 1HB GLU 64 1HB GLU 64 7.419 12.663 -3.789 475 2HB GLU 64 2HB GLU 64 6.343 13.038 -5.120 476 1HG GLU 64 1HG GLU 64 5.218 13.846 -2.511 477 2HG GLU 64 2HG GLU 64 6.758 14.616 -2.837 478 H ASP 65 H ASP 65 6.745 9.981 -2.145 479 HA ASP 65 HA ASP 65 8.088 8.608 -4.192 480 1HB ASP 65 1HB ASP 65 7.742 8.351 -1.221 481 2HB ASP 65 2HB ASP 65 8.245 6.900 -2.066 482 H VAL 66 H VAL 66 5.264 7.921 -2.014 483 HA VAL 66 HA VAL 66 4.736 5.336 -2.704 484 HB VAL 66 HB VAL 66 3.370 5.989 -1.052 485 1HG1 VAL 66 1HG1 VAL 66 3.533 8.685 -2.342 486 2HG1 VAL 66 2HG1 VAL 66 2.188 8.363 -1.221 487 3HG1 VAL 66 3HG1 VAL 66 3.871 8.196 -0.665 488 1HG2 VAL 66 1HG2 VAL 66 1.976 5.494 -3.334 489 2HG2 VAL 66 2HG2 VAL 66 1.230 5.730 -1.735 490 3HG2 VAL 66 3HG2 VAL 66 1.319 7.086 -2.885 491 H SER 67 H SER 67 4.468 4.365 -4.640 492 HA SER 67 HA SER 67 2.973 5.868 -6.631 493 1HB SER 67 1HB SER 67 5.735 5.314 -6.789 494 2HB SER 67 2HB SER 67 4.996 4.106 -7.822 495 HG SER 67 HG SER 67 5.070 6.932 -8.099 496 HA PRO 68 HA PRO 68 0.859 2.038 -6.703 497 1HB PRO 68 1HB PRO 68 -0.980 2.627 -8.636 498 2HB PRO 68 2HB PRO 68 -1.177 3.082 -6.955 499 1HG PRO 68 1HG PRO 68 -0.446 4.781 -9.261 500 2HG PRO 68 2HG PRO 68 -1.056 5.264 -7.691 501 1HD PRO 68 1HD PRO 68 1.657 5.437 -8.606 502 2HD PRO 68 2HD PRO 68 1.067 5.811 -6.999 503 H SER 69 H SER 69 3.116 2.987 -8.745 504 HA SER 69 HA SER 69 2.883 0.476 -10.158 505 1HB SER 69 1HB SER 69 2.786 1.351 -12.269 506 2HB SER 69 2HB SER 69 2.077 2.730 -11.452 507 HG SER 69 HG SER 69 3.801 3.404 -12.843 508 H LEU 70 H LEU 70 4.846 -0.586 -10.132 509 HA LEU 70 HA LEU 70 7.106 0.877 -9.072 510 1HB LEU 70 1HB LEU 70 8.133 -1.418 -9.045 511 2HB LEU 70 2HB LEU 70 6.747 -1.159 -8.004 512 HG LEU 70 HG LEU 70 5.345 -2.506 -9.291 513 1HD1 LEU 70 1HD1 LEU 70 5.922 -1.405 -11.463 514 2HD1 LEU 70 2HD1 LEU 70 7.323 -2.498 -11.583 515 3HD1 LEU 70 3HD1 LEU 70 5.672 -3.165 -11.566 516 1HD2 LEU 70 1HD2 LEU 70 7.071 -3.791 -8.092 517 2HD2 LEU 70 2HD2 LEU 70 6.498 -4.625 -9.556 518 3HD2 LEU 70 3HD2 LEU 70 8.074 -3.797 -9.563 519 H GLU 71 H GLU 71 6.550 2.023 -11.450 520 HA GLU 71 HA GLU 71 8.057 0.647 -13.475 521 1HB GLU 71 1HB GLU 71 7.333 2.505 -14.943 522 2HB GLU 71 2HB GLU 71 5.970 1.783 -14.113 523 1HG GLU 71 1HG GLU 71 6.086 3.609 -12.381 524 2HG GLU 71 2HG GLU 71 7.406 4.345 -13.270 525 H GLY 72 H GLY 72 9.803 1.035 -11.461 526 1HA GLY 72 1HA GLY 72 11.926 2.391 -12.513 527 2HA GLY 72 2HA GLY 72 11.096 3.596 -11.548 528 H LEU 73 H LEU 73 10.026 1.383 -9.689 529 HA LEU 73 HA LEU 73 11.611 1.636 -7.584 530 1HB LEU 73 1HB LEU 73 9.758 -0.437 -8.537 531 2HB LEU 73 2HB LEU 73 10.894 -0.993 -7.324 532 HG LEU 73 HG LEU 73 8.580 -0.067 -6.600 533 1HD1 LEU 73 1HD1 LEU 73 9.836 1.129 -4.590 534 2HD1 LEU 73 2HD1 LEU 73 9.885 -0.636 -4.821 535 3HD1 LEU 73 3HD1 LEU 73 11.254 0.370 -5.352 536 1HD2 LEU 73 1HD2 LEU 73 9.443 2.569 -6.071 537 2HD2 LEU 73 2HD2 LEU 73 9.727 2.277 -7.803 538 3HD2 LEU 73 3HD2 LEU 73 8.103 2.036 -7.115 539 H THR 74 H THR 74 13.739 1.410 -7.190 540 HA THR 74 HA THR 74 15.274 -0.347 -8.932 541 HB THR 74 HB THR 74 16.032 1.985 -8.568 542 HG1 THR 74 1HG THR 74 17.713 0.361 -6.869 543 1HG2 THR 74 1HG2 THR 74 16.043 1.116 -5.635 544 2HG2 THR 74 2HG2 THR 74 16.985 2.501 -6.237 545 3HG2 THR 74 3HG2 THR 74 15.208 2.522 -6.338 546 H GLU 75 H GLU 75 17.301 -1.332 -7.577 547 HA GLU 75 HA GLU 75 16.127 -3.435 -6.189 548 1HB GLU 75 1HB GLU 75 18.782 -2.649 -7.102 549 2HB GLU 75 2HB GLU 75 18.882 -3.346 -5.497 550 1HG GLU 75 1HG GLU 75 17.092 -5.060 -6.794 551 2HG GLU 75 2HG GLU 75 18.215 -4.644 -8.073 552 H LYS 76 H LYS 76 17.775 -0.417 -5.139 553 HA LYS 76 HA LYS 76 18.125 -0.979 -2.480 554 1HB LYS 76 1HB LYS 76 18.736 1.176 -2.355 555 2HB LYS 76 2HB LYS 76 18.541 1.168 -4.096 556 1HG LYS 76 1HG LYS 76 16.256 2.033 -3.914 557 2HG LYS 76 2HG LYS 76 16.272 1.851 -2.171 558 1HD LYS 76 1HD LYS 76 16.695 4.181 -2.604 559 2HD LYS 76 2HD LYS 76 18.225 3.495 -2.096 560 1HE LYS 76 1HE LYS 76 18.389 3.081 -4.809 561 2HE LYS 76 2HE LYS 76 17.407 4.532 -4.779 562 1HZ LYS 76 1HZ LYS 76 19.104 5.729 -4.007 563 2HZ LYS 76 2HZ LYS 76 19.661 4.565 -3.006 564 3HZ LYS 76 3HZ LYS 76 20.043 4.529 -4.593 565 H GLU 77 H GLU 77 15.194 0.396 -4.117 566 HA GLU 77 HA GLU 77 13.750 0.258 -1.667 567 1HB GLU 77 1HB GLU 77 11.825 0.739 -3.525 568 2HB GLU 77 2HB GLU 77 12.851 1.993 -2.859 569 1HG GLU 77 1HG GLU 77 14.432 1.750 -4.758 570 2HG GLU 77 2HG GLU 77 13.482 0.428 -5.407 571 H ILE 78 H ILE 78 13.940 -1.580 -4.758 572 HA ILE 78 HA ILE 78 11.763 -3.223 -4.421 573 HB ILE 78 HB ILE 78 14.406 -3.494 -5.799 574 1HG1 ILE 78 1HG1 ILE 78 11.949 -2.327 -6.446 575 2HG1 ILE 78 2HG1 ILE 78 13.307 -2.611 -7.517 576 1HG2 ILE 78 1HG2 ILE 78 13.772 -5.629 -6.738 577 2HG2 ILE 78 2HG2 ILE 78 13.829 -5.750 -4.963 578 3HG2 ILE 78 3HG2 ILE 78 12.261 -5.634 -5.798 579 1HD1 ILE 78 1HD1 ILE 78 11.268 -3.614 -8.462 580 2HD1 ILE 78 2HD1 ILE 78 12.420 -4.899 -8.025 581 3HD1 ILE 78 3HD1 ILE 78 11.022 -4.563 -6.977 582 H ASN 79 H ASN 79 15.133 -3.593 -3.160 583 HA ASN 79 HA ASN 79 14.931 -6.052 -2.098 584 1HB ASN 79 1HB ASN 79 16.508 -3.612 -1.570 585 2HB ASN 79 2HB ASN 79 16.298 -4.564 -0.114 586 1HD2 ASN 79 1HD2 ASN 79 18.293 -4.039 -2.595 587 2HD2 ASN 79 2HD2 ASN 79 19.070 -5.578 -2.772 588 H THR 80 H THR 80 14.109 -2.874 -0.510 589 HA THR 80 HA THR 80 12.932 -4.207 1.758 590 HB THR 80 HB THR 80 13.181 -1.289 0.860 591 HG1 THR 80 1HG THR 80 15.124 -1.656 1.851 592 1HG2 THR 80 1HG2 THR 80 11.489 -1.026 2.452 593 2HG2 THR 80 2HG2 THR 80 11.849 -2.584 3.234 594 3HG2 THR 80 3HG2 THR 80 12.881 -1.169 3.553 595 H LEU 81 H LEU 81 11.767 -2.325 -1.096 596 HA LEU 81 HA LEU 81 9.087 -2.346 -0.396 597 1HB LEU 81 1HB LEU 81 9.839 -0.898 -2.090 598 2HB LEU 81 2HB LEU 81 10.547 -2.202 -3.021 599 HG LEU 81 HG LEU 81 8.291 -1.084 -3.754 600 1HD1 LEU 81 1HD1 LEU 81 8.116 -2.770 -5.229 601 2HD1 LEU 81 2HD1 LEU 81 9.598 -3.366 -4.445 602 3HD1 LEU 81 3HD1 LEU 81 8.013 -4.014 -3.960 603 1HD2 LEU 81 1HD2 LEU 81 7.100 -3.284 -2.084 604 2HD2 LEU 81 2HD2 LEU 81 7.307 -1.642 -1.428 605 3HD2 LEU 81 3HD2 LEU 81 6.303 -1.903 -2.875 606 H ASN 82 H ASN 82 10.852 -4.613 -2.628 607 HA ASN 82 HA ASN 82 8.792 -6.288 -3.106 608 1HB ASN 82 1HB ASN 82 11.272 -6.306 -3.970 609 2HB ASN 82 2HB ASN 82 11.617 -7.317 -2.581 610 1HD2 ASN 82 1HD2 ASN 82 10.657 -7.243 -5.765 611 2HD2 ASN 82 2HD2 ASN 82 10.017 -8.843 -5.944 612 H ASP 83 H ASP 83 11.291 -6.469 -0.460 613 HA ASP 83 HA ASP 83 10.270 -8.749 0.721 614 1HB ASP 83 1HB ASP 83 12.487 -8.024 1.301 615 2HB ASP 83 2HB ASP 83 11.937 -6.418 1.733 616 H TRP 84 H TRP 84 9.482 -5.269 0.954 617 HA TRP 84 HA TRP 84 8.077 -5.267 3.349 618 1HB TRP 84 1HB TRP 84 8.392 -3.532 1.019 619 2HB TRP 84 2HB TRP 84 6.800 -3.415 1.742 620 HD1 TRP 84 HD TRP 84 9.626 -1.407 1.944 621 HE1 TRP 84 1HE TRP 84 10.171 -0.316 4.284 622 HE3 TRP 84 3HE TRP 84 6.770 -4.597 4.686 623 HZ2 TRP 84 2HZ TRP 84 9.365 -0.897 6.959 624 HZ3 TRP 84 3HZ TRP 84 6.704 -4.266 7.156 625 HH2 TRP 84 HH TRP 84 7.941 -2.493 8.295 626 H GLU 85 H GLU 85 7.193 -6.195 -0.009 627 HA GLU 85 HA GLU 85 4.468 -6.374 0.406 628 1HB GLU 85 1HB GLU 85 4.807 -6.580 -1.832 629 2HB GLU 85 2HB GLU 85 6.424 -7.223 -1.621 630 1HG GLU 85 1HG GLU 85 4.008 -8.952 -0.999 631 2HG GLU 85 2HG GLU 85 4.547 -8.761 -2.656 632 H THR 86 H THR 86 7.120 -8.793 0.819 633 HA THR 86 HA THR 86 5.399 -10.936 1.485 634 HB THR 86 HB THR 86 8.320 -10.287 1.447 635 HG1 THR 86 1HG THR 86 7.640 -11.621 -0.211 636 1HG2 THR 86 1HG2 THR 86 8.459 -12.764 2.545 637 2HG2 THR 86 2HG2 THR 86 8.623 -11.294 3.535 638 3HG2 THR 86 3HG2 THR 86 7.062 -12.146 3.459 639 H LYS 87 H LYS 87 6.879 -8.287 3.357 640 HA LYS 87 HA LYS 87 6.251 -9.477 5.865 641 1HB LYS 87 1HB LYS 87 6.936 -6.600 5.191 642 2HB LYS 87 2HB LYS 87 6.951 -7.324 6.787 643 1HG LYS 87 1HG LYS 87 8.845 -8.658 6.321 644 2HG LYS 87 2HG LYS 87 8.580 -8.616 4.589 645 1HD LYS 87 1HD LYS 87 9.799 -6.705 4.339 646 2HD LYS 87 2HD LYS 87 8.991 -5.914 5.677 647 1HE LYS 87 1HE LYS 87 11.082 -8.072 6.160 648 2HE LYS 87 2HE LYS 87 11.548 -6.402 5.904 649 1HZ LYS 87 1HZ LYS 87 9.733 -7.373 8.001 650 2HZ LYS 87 2HZ LYS 87 11.261 -6.839 8.217 651 3HZ LYS 87 3HZ LYS 87 10.092 -5.801 7.742 652 H PHE 88 H PHE 88 4.719 -7.064 3.672 653 HA PHE 88 HA PHE 88 2.612 -6.503 5.484 654 1HB PHE 88 1HB PHE 88 3.589 -5.832 2.769 655 2HB PHE 88 2HB PHE 88 1.844 -5.985 2.775 656 HD1 PHE 88 1HD PHE 88 4.118 -4.662 5.416 657 HD2 PHE 88 2HD PHE 88 1.032 -3.817 2.628 658 HE1 PHE 88 1HE PHE 88 3.917 -2.337 6.342 659 HE2 PHE 88 2HE PHE 88 0.831 -1.493 3.555 660 HZ PHE 88 HZ PHE 88 2.276 -0.781 5.401 661 H GLU 89 H GLU 89 3.028 -8.668 2.623 662 HA GLU 89 HA GLU 89 0.328 -9.465 2.650 663 1HB GLU 89 1HB GLU 89 0.914 -10.890 0.856 664 2HB GLU 89 2HB GLU 89 2.026 -9.545 0.698 665 1HG GLU 89 1HG GLU 89 3.582 -11.244 0.570 666 2HG GLU 89 2HG GLU 89 3.538 -11.101 2.316 667 H ALA 90 H ALA 90 3.124 -10.278 4.545 668 HA ALA 90 HA ALA 90 2.119 -12.905 5.245 669 1HB ALA 90 1HB ALA 90 4.183 -12.883 6.714 670 2HB ALA 90 2HB ALA 90 4.503 -12.687 4.974 671 3HB ALA 90 3HB ALA 90 4.554 -11.273 6.053 672 H LYS 91 H LYS 91 1.723 -9.598 6.175 673 HA LYS 91 HA LYS 91 0.695 -10.474 8.785 674 1HB LYS 91 1HB LYS 91 2.293 -8.114 7.948 675 2HB LYS 91 2HB LYS 91 0.995 -7.797 9.081 676 1HG LYS 91 1HG LYS 91 2.362 -10.217 9.906 677 2HG LYS 91 2HG LYS 91 3.561 -8.972 9.617 678 1HD LYS 91 1HD LYS 91 3.027 -8.439 11.807 679 2HD LYS 91 2HD LYS 91 1.828 -7.452 10.996 680 1HE LYS 91 1HE LYS 91 0.608 -9.996 11.200 681 2HE LYS 91 2HE LYS 91 1.441 -9.795 12.729 682 1HZ LYS 91 1HZ LYS 91 -0.891 -8.558 11.878 683 2HZ LYS 91 2HZ LYS 91 -0.144 -8.414 13.323 684 3HZ LYS 91 3HZ LYS 91 0.226 -7.388 12.107 685 H TYR 92 H TYR 92 0.238 -7.767 6.397 686 HA TYR 92 HA TYR 92 -2.508 -7.526 7.091 687 1HB TYR 92 1HB TYR 92 -0.634 -6.559 4.852 688 2HB TYR 92 2HB TYR 92 -2.313 -6.060 4.901 689 HD1 TYR 92 1HD TYR 92 -2.607 -5.719 7.904 690 HD2 TYR 92 2HD TYR 92 0.472 -4.498 5.197 691 HE1 TYR 92 1HE TYR 92 -1.988 -3.805 9.460 692 HE2 TYR 92 2HE TYR 92 1.081 -2.588 6.761 693 HH TYR 92 HH TYR 92 0.768 -2.298 9.451 694 HA PRO 93 HA PRO 93 -4.087 -10.499 4.351 695 1HB PRO 93 1HB PRO 93 -6.739 -9.856 4.499 696 2HB PRO 93 2HB PRO 93 -5.926 -10.851 5.691 697 1HG PRO 93 1HG PRO 93 -6.782 -8.029 5.905 698 2HG PRO 93 2HG PRO 93 -6.367 -9.151 7.186 699 1HD PRO 93 1HD PRO 93 -4.733 -7.023 6.172 700 2HD PRO 93 2HD PRO 93 -4.275 -8.217 7.371 701 H VAL 94 H VAL 94 -4.246 -10.792 2.197 702 HA VAL 94 HA VAL 94 -4.353 -8.323 0.699 703 HB VAL 94 HB VAL 94 -4.019 -11.170 -0.258 704 1HG1 VAL 94 1HG1 VAL 94 -4.181 -8.610 -1.596 705 2HG1 VAL 94 2HG1 VAL 94 -2.585 -9.352 -1.866 706 3HG1 VAL 94 3HG1 VAL 94 -4.065 -10.246 -2.288 707 1HG2 VAL 94 1HG2 VAL 94 -1.559 -9.670 -0.212 708 2HG2 VAL 94 2HG2 VAL 94 -2.280 -9.689 1.415 709 3HG2 VAL 94 3HG2 VAL 94 -1.949 -11.220 0.570 710 H VAL 95 H VAL 95 -6.329 -7.461 0.296 711 HA VAL 95 HA VAL 95 -8.608 -9.226 0.095 712 HB VAL 95 HB VAL 95 -9.879 -7.149 0.002 713 1HG1 VAL 95 1HG1 VAL 95 -8.014 -7.851 2.154 714 2HG1 VAL 95 2HG1 VAL 95 -8.546 -6.153 2.212 715 3HG1 VAL 95 3HG1 VAL 95 -9.750 -7.465 2.221 716 1HG2 VAL 95 1HG2 VAL 95 -7.476 -5.446 0.459 717 2HG2 VAL 95 2HG2 VAL 95 -7.777 -5.996 -1.207 718 3HG2 VAL 95 3HG2 VAL 95 -9.020 -5.064 -0.338 719 H GLY 96 H GLY 96 -6.141 -8.236 -1.958 720 1HA GLY 96 1HA GLY 96 -6.897 -9.357 -4.236 721 2HA GLY 96 2HA GLY 96 -7.815 -7.866 -4.317 722 H ARG 97 H ARG 97 -6.261 -7.786 -6.332 723 HA ARG 97 HA ARG 97 -3.767 -6.571 -5.454 724 1HB ARG 97 1HB ARG 97 -2.759 -7.277 -7.518 725 2HB ARG 97 2HB ARG 97 -3.691 -8.657 -6.970 726 1HG ARG 97 1HG ARG 97 -4.696 -8.641 -9.009 727 2HG ARG 97 2HG ARG 97 -5.558 -7.212 -8.474 728 1HD ARG 97 1HD ARG 97 -4.100 -5.735 -9.597 729 2HD ARG 97 2HD ARG 97 -2.766 -6.871 -9.585 730 HE ARG 97 HE ARG 97 -5.010 -7.873 -11.143 731 1HH1 ARG 97 2HH2 ARG 97 -2.230 -5.719 -11.252 732 2HH1 ARG 97 1HH2 ARG 97 -2.069 -5.806 -12.974 733 1HH2 ARG 97 2HH1 ARG 97 -4.798 -7.989 -13.415 734 2HH2 ARG 97 1HH1 ARG 97 -3.540 -7.106 -14.213 735 H VAL 98 H VAL 98 -3.138 -4.526 -6.406 736 HA VAL 98 HA VAL 98 -5.260 -2.801 -6.976 737 HB VAL 98 HB VAL 98 -2.273 -2.684 -7.090 738 1HG1 VAL 98 1HG1 VAL 98 -2.663 -0.153 -7.618 739 2HG1 VAL 98 2HG1 VAL 98 -2.607 -1.333 -8.949 740 3HG1 VAL 98 3HG1 VAL 98 -4.175 -0.729 -8.362 741 1HG2 VAL 98 1HG2 VAL 98 -4.479 -1.621 -5.388 742 2HG2 VAL 98 2HG2 VAL 98 -2.880 -2.257 -4.933 743 3HG2 VAL 98 3HG2 VAL 98 -3.030 -0.604 -5.575 744 H VAL 99 H VAL 99 -6.523 -2.820 -8.759 745 HA VAL 99 HA VAL 99 -5.243 -3.614 -11.278 746 HB VAL 99 HB VAL 99 -7.634 -4.007 -11.988 747 1HG1 VAL 99 1HG1 VAL 99 -6.721 -5.712 -9.651 748 2HG1 VAL 99 2HG1 VAL 99 -7.715 -6.209 -11.041 749 3HG1 VAL 99 3HG1 VAL 99 -6.002 -5.788 -11.278 750 1HG2 VAL 99 1HG2 VAL 99 -8.573 -2.601 -10.075 751 2HG2 VAL 99 2HG2 VAL 99 -9.377 -4.156 -10.394 752 3HG2 VAL 99 3HG2 VAL 99 -8.250 -4.001 -9.025 753 H SER 100 H SER 100 -4.496 -1.785 -12.263 754 HA SER 100 HA SER 100 -5.896 0.663 -11.919 755 1HB SER 100 1HB SER 100 -4.132 1.420 -13.691 756 2HB SER 100 2HB SER 100 -3.573 0.960 -12.095 757 HG SER 100 HG SER 100 -2.258 -0.078 -13.640 Start of MODEL 10 1 1H GLY -1 H GLY -1 -10.676 -13.809 -11.444 2 1HA GLY -1 1HA GLY -1 -8.148 -13.894 -9.934 3 2HA GLY -1 2HA GLY -1 -8.778 -12.532 -10.838 4 HA PRO 0 HA PRO 0 -10.016 -12.148 -6.423 5 1HB PRO 0 1HB PRO 0 -8.417 -10.063 -5.670 6 2HB PRO 0 2HB PRO 0 -8.014 -11.741 -5.362 7 1HG PRO 0 1HG PRO 0 -6.883 -9.903 -7.383 8 2HG PRO 0 2HG PRO 0 -6.223 -11.410 -6.778 9 1HD PRO 0 1HD PRO 0 -7.525 -10.996 -9.300 10 2HD PRO 0 2HD PRO 0 -6.969 -12.524 -8.645 11 H MET 1 H MET 1 -10.203 -9.568 -5.314 12 HA MET 1 HA MET 1 -12.429 -8.721 -6.829 13 1HB MET 1 1HB MET 1 -10.942 -7.745 -4.354 14 2HB MET 1 2HB MET 1 -12.201 -6.744 -5.050 15 1HG MET 1 1HG MET 1 -12.704 -9.676 -4.397 16 2HG MET 1 2HG MET 1 -12.881 -8.432 -3.176 17 1HE MET 1 1HE MET 1 -15.842 -6.347 -4.220 18 2HE MET 1 2HE MET 1 -14.571 -6.728 -3.033 19 3HE MET 1 3HE MET 1 -14.152 -5.894 -4.548 20 H GLU 2 H GLU 2 -9.027 -7.691 -6.478 21 HA GLU 2 HA GLU 2 -7.834 -6.157 -7.452 22 1HB GLU 2 1HB GLU 2 -9.715 -6.083 -9.819 23 2HB GLU 2 2HB GLU 2 -7.964 -6.015 -9.806 24 1HG GLU 2 1HG GLU 2 -7.957 -8.245 -10.221 25 2HG GLU 2 2HG GLU 2 -8.538 -8.486 -8.585 26 H PHE 3 H PHE 3 -7.813 -4.154 -6.523 27 HA PHE 3 HA PHE 3 -10.205 -2.501 -6.895 28 1HB PHE 3 1HB PHE 3 -7.866 -2.508 -4.895 29 2HB PHE 3 2HB PHE 3 -9.111 -1.275 -4.894 30 HD1 PHE 3 1HD PHE 3 -8.401 -4.814 -4.222 31 HD2 PHE 3 2HD PHE 3 -11.310 -1.730 -4.027 32 HE1 PHE 3 1HE PHE 3 -9.817 -6.244 -2.722 33 HE2 PHE 3 2HE PHE 3 -12.725 -3.161 -2.527 34 HZ PHE 3 HZ PHE 3 -11.962 -5.401 -1.892 35 H THR 4 H THR 4 -10.081 -0.654 -8.101 36 HA THR 4 HA THR 4 -7.570 -0.055 -9.377 37 HB THR 4 HB THR 4 -9.058 1.633 -10.562 38 HG1 THR 4 1HG THR 4 -11.064 1.938 -9.628 39 1HG2 THR 4 1HG2 THR 4 -9.656 -0.103 -11.920 40 2HG2 THR 4 2HG2 THR 4 -9.330 -1.254 -10.602 41 3HG2 THR 4 3HG2 THR 4 -10.947 -0.529 -10.771 42 H ALA 5 H ALA 5 -6.719 2.201 -9.497 43 HA ALA 5 HA ALA 5 -5.975 3.069 -6.993 44 1HB ALA 5 1HB ALA 5 -5.081 5.012 -8.175 45 2HB ALA 5 2HB ALA 5 -4.824 3.548 -9.153 46 3HB ALA 5 3HB ALA 5 -6.132 4.679 -9.572 47 H GLU 6 H GLU 6 -8.817 3.878 -8.994 48 HA GLU 6 HA GLU 6 -9.532 6.151 -7.534 49 1HB GLU 6 1HB GLU 6 -10.859 4.334 -9.523 50 2HB GLU 6 2HB GLU 6 -11.907 5.363 -8.566 51 1HG GLU 6 1HG GLU 6 -10.639 7.372 -9.277 52 2HG GLU 6 2HG GLU 6 -9.506 6.372 -10.164 53 H GLN 7 H GLN 7 -10.512 2.670 -7.345 54 HA GLN 7 HA GLN 7 -12.288 3.159 -5.207 55 1HB GLN 7 1HB GLN 7 -11.436 0.893 -6.858 56 2HB GLN 7 2HB GLN 7 -11.598 0.420 -5.179 57 1HG GLN 7 1HG GLN 7 -13.855 2.055 -5.666 58 2HG GLN 7 2HG GLN 7 -13.689 1.101 -7.126 59 1HE2 GLN 7 1HE2 GLN 7 -15.703 1.021 -5.015 60 2HE2 GLN 7 2HE2 GLN 7 -15.737 -0.595 -4.393 61 H LEU 8 H LEU 8 -8.848 2.284 -5.545 62 HA LEU 8 HA LEU 8 -8.568 1.574 -2.787 63 1HB LEU 8 1HB LEU 8 -7.167 0.468 -4.317 64 2HB LEU 8 2HB LEU 8 -6.679 1.961 -5.094 65 HG LEU 8 HG LEU 8 -5.812 2.363 -2.511 66 1HD1 LEU 8 1HD1 LEU 8 -6.434 0.006 -1.969 67 2HD1 LEU 8 2HD1 LEU 8 -5.224 -0.537 -3.157 68 3HD1 LEU 8 3HD1 LEU 8 -4.712 0.386 -1.723 69 1HD2 LEU 8 1HD2 LEU 8 -4.538 2.926 -4.470 70 2HD2 LEU 8 2HD2 LEU 8 -3.551 1.872 -3.429 71 3HD2 LEU 8 3HD2 LEU 8 -4.329 1.209 -4.887 72 H SER 9 H SER 9 -8.537 4.504 -4.723 73 HA SER 9 HA SER 9 -7.018 5.971 -2.822 74 1HB SER 9 1HB SER 9 -6.858 6.762 -5.055 75 2HB SER 9 2HB SER 9 -8.588 6.664 -5.318 76 HG SER 9 HG SER 9 -7.159 8.580 -3.690 77 H GLN 10 H GLN 10 -10.045 4.616 -2.675 78 HA GLN 10 HA GLN 10 -11.076 6.860 -1.119 79 1HB GLN 10 1HB GLN 10 -13.359 5.733 -1.562 80 2HB GLN 10 2HB GLN 10 -12.608 6.575 -2.902 81 1HG GLN 10 1HG GLN 10 -11.671 4.398 -3.732 82 2HG GLN 10 2HG GLN 10 -12.452 3.564 -2.403 83 1HE2 GLN 10 1HE2 GLN 10 -14.665 3.312 -2.349 84 2HE2 GLN 10 2HE2 GLN 10 -15.690 3.562 -3.722 85 H TYR 11 H TYR 11 -9.178 4.750 -0.243 86 HA TYR 11 HA TYR 11 -10.776 3.763 1.981 87 1HB TYR 11 1HB TYR 11 -8.998 2.152 0.047 88 2HB TYR 11 2HB TYR 11 -9.562 1.501 1.573 89 HD1 TYR 11 1HD TYR 11 -10.080 1.045 -1.684 90 HD2 TYR 11 2HD TYR 11 -12.356 2.269 1.726 91 HE1 TYR 11 1HE TYR 11 -12.213 0.241 -2.809 92 HE2 TYR 11 2HE TYR 11 -14.481 1.460 0.589 93 HH TYR 11 HH TYR 11 -14.677 -0.593 -1.610 94 H ASN 12 H ASN 12 -9.246 5.855 2.437 95 HA ASN 12 HA ASN 12 -6.655 4.793 3.229 96 1HB ASN 12 1HB ASN 12 -5.773 6.971 3.004 97 2HB ASN 12 2HB ASN 12 -6.986 6.965 1.738 98 1HD2 ASN 12 1HD2 ASN 12 -8.451 8.498 1.716 99 2HD2 ASN 12 2HD2 ASN 12 -8.854 9.573 3.012 100 H GLY 13 H GLY 13 -9.715 5.148 4.410 101 1HA GLY 13 1HA GLY 13 -10.480 5.021 6.544 102 2HA GLY 13 2HA GLY 13 -8.856 5.269 7.153 103 H THR 14 H THR 14 -11.894 6.796 6.220 104 HA THR 14 HA THR 14 -11.452 9.034 7.827 105 HB THR 14 HB THR 14 -10.094 9.184 5.324 106 HG1 THR 14 1HG THR 14 -9.686 11.295 6.284 107 1HG2 THR 14 1HG2 THR 14 -12.267 9.825 4.245 108 2HG2 THR 14 2HG2 THR 14 -12.507 11.067 5.497 109 3HG2 THR 14 3HG2 THR 14 -11.159 11.215 4.344 110 H ASP 15 H ASP 15 -13.032 7.906 4.776 111 HA ASP 15 HA ASP 15 -15.284 9.408 4.996 112 1HB ASP 15 1HB ASP 15 -14.377 7.155 3.490 113 2HB ASP 15 2HB ASP 15 -15.945 6.701 4.127 114 H GLU 16 H GLU 16 -17.545 7.717 5.165 115 HA GLU 16 HA GLU 16 -18.075 7.646 7.812 116 1HB GLU 16 1HB GLU 16 -19.241 6.295 5.396 117 2HB GLU 16 2HB GLU 16 -19.781 5.728 6.964 118 1HG GLU 16 1HG GLU 16 -21.296 7.448 6.746 119 2HG GLU 16 2HG GLU 16 -19.984 8.398 7.413 120 H SER 17 H SER 17 -18.127 4.476 6.111 121 HA SER 17 HA SER 17 -16.399 3.480 8.240 122 1HB SER 17 1HB SER 17 -18.886 2.253 6.997 123 2HB SER 17 2HB SER 17 -17.712 1.267 7.846 124 HG SER 17 HG SER 17 -19.117 3.549 8.954 125 H LYS 18 H LYS 18 -15.526 4.509 5.662 126 HA LYS 18 HA LYS 18 -15.212 2.388 3.821 127 1HB LYS 18 1HB LYS 18 -14.603 5.200 3.995 128 2HB LYS 18 2HB LYS 18 -13.188 4.336 3.429 129 1HG LYS 18 1HG LYS 18 -14.730 5.033 1.565 130 2HG LYS 18 2HG LYS 18 -14.445 3.304 1.611 131 1HD LYS 18 1HD LYS 18 -16.668 3.613 3.289 132 2HD LYS 18 2HD LYS 18 -16.957 4.803 2.036 133 1HE LYS 18 1HE LYS 18 -17.763 3.085 0.776 134 2HE LYS 18 2HE LYS 18 -16.094 2.594 0.563 135 1HZ LYS 18 1HZ LYS 18 -16.305 0.973 2.099 136 2HZ LYS 18 2HZ LYS 18 -17.428 1.753 2.990 137 3HZ LYS 18 3HZ LYS 18 -17.860 1.011 1.601 138 HA PRO 19 HA PRO 19 -11.959 0.340 5.828 139 1HB PRO 19 1HB PRO 19 -11.357 -1.475 3.877 140 2HB PRO 19 2HB PRO 19 -12.662 -1.700 5.025 141 1HG PRO 19 1HG PRO 19 -12.813 -0.949 2.170 142 2HG PRO 19 2HG PRO 19 -14.075 -1.584 3.206 143 1HD PRO 19 1HD PRO 19 -13.751 1.140 2.370 144 2HD PRO 19 2HD PRO 19 -14.943 0.525 3.498 145 H ILE 20 H ILE 20 -9.645 -0.076 5.798 146 HA ILE 20 HA ILE 20 -8.423 1.938 4.063 147 HB ILE 20 HB ILE 20 -7.304 0.604 6.529 148 1HG1 ILE 20 1HG1 ILE 20 -7.879 3.303 7.069 149 2HG1 ILE 20 2HG1 ILE 20 -9.310 2.685 6.269 150 1HG2 ILE 20 1HG2 ILE 20 -6.159 2.303 4.505 151 2HG2 ILE 20 2HG2 ILE 20 -6.154 3.136 6.078 152 3HG2 ILE 20 3HG2 ILE 20 -5.388 1.538 5.915 153 1HD1 ILE 20 1HD1 ILE 20 -9.404 2.344 8.738 154 2HD1 ILE 20 2HD1 ILE 20 -9.433 0.796 7.859 155 3HD1 ILE 20 3HD1 ILE 20 -7.933 1.346 8.643 156 H TYR 21 H TYR 21 -7.288 1.306 2.311 157 HA TYR 21 HA TYR 21 -6.186 -1.419 2.357 158 1HB TYR 21 1HB TYR 21 -7.662 0.193 0.186 159 2HB TYR 21 2HB TYR 21 -6.801 -1.290 -0.176 160 HD1 TYR 21 1HD TYR 21 -7.685 -2.566 2.612 161 HD2 TYR 21 2HD TYR 21 -9.767 -0.743 -0.651 162 HE1 TYR 21 1HE TYR 21 -9.767 -3.909 3.180 163 HE2 TYR 21 2HE TYR 21 -11.842 -2.093 -0.072 164 HH TYR 21 HH TYR 21 -11.957 -4.662 1.430 165 H VAL 22 H VAL 22 -4.090 -1.626 1.630 166 HA VAL 22 HA VAL 22 -2.872 0.850 0.616 167 HB VAL 22 HB VAL 22 -1.530 -1.396 2.125 168 1HG1 VAL 22 1HG1 VAL 22 0.389 -0.118 2.139 169 2HG1 VAL 22 2HG1 VAL 22 -0.287 0.322 0.552 170 3HG1 VAL 22 3HG1 VAL 22 -0.495 1.414 1.942 171 1HG2 VAL 22 1HG2 VAL 22 -3.335 -0.167 3.439 172 2HG2 VAL 22 2HG2 VAL 22 -1.697 -0.151 4.137 173 3HG2 VAL 22 3HG2 VAL 22 -2.318 1.286 3.288 174 H ALA 23 H ALA 23 -1.258 0.631 -1.068 175 HA ALA 23 HA ALA 23 -1.587 -1.882 -2.561 176 1HB ALA 23 1HB ALA 23 -1.039 -0.365 -4.555 177 2HB ALA 23 2HB ALA 23 -2.630 -0.127 -3.793 178 3HB ALA 23 3HB ALA 23 -1.301 1.006 -3.451 179 H ILE 24 H ILE 24 0.249 -2.999 -3.147 180 HA ILE 24 HA ILE 24 2.802 -1.639 -2.949 181 HB ILE 24 HB ILE 24 1.851 -3.739 -1.068 182 1HG1 ILE 24 1HG1 ILE 24 3.721 -1.364 -0.848 183 2HG1 ILE 24 2HG1 ILE 24 2.056 -1.438 -0.307 184 1HG2 ILE 24 1HG2 ILE 24 3.515 -5.115 -1.755 185 2HG2 ILE 24 2HG2 ILE 24 4.469 -3.795 -2.473 186 3HG2 ILE 24 3HG2 ILE 24 4.489 -4.051 -0.712 187 1HD1 ILE 24 1HD1 ILE 24 4.458 -2.331 1.064 188 2HD1 ILE 24 2HD1 ILE 24 2.797 -2.204 1.689 189 3HD1 ILE 24 3HD1 ILE 24 3.327 -3.692 0.870 190 H LYS 25 H LYS 25 3.622 -1.989 -4.941 191 HA LYS 25 HA LYS 25 4.374 -3.074 -6.714 192 1HB LYS 25 1HB LYS 25 3.762 -5.607 -5.162 193 2HB LYS 25 2HB LYS 25 4.687 -5.527 -6.647 194 1HG LYS 25 1HG LYS 25 6.562 -4.812 -5.567 195 2HG LYS 25 2HG LYS 25 5.681 -3.590 -4.672 196 1HD LYS 25 1HD LYS 25 6.386 -5.011 -2.943 197 2HD LYS 25 2HD LYS 25 4.771 -5.618 -3.251 198 1HE LYS 25 1HE LYS 25 6.325 -7.511 -3.111 199 2HE LYS 25 2HE LYS 25 5.725 -7.385 -4.753 200 1HZ LYS 25 1HZ LYS 25 8.191 -6.014 -4.028 201 2HZ LYS 25 2HZ LYS 25 8.224 -7.618 -4.333 202 3HZ LYS 25 3HZ LYS 25 7.718 -6.579 -5.486 203 H GLY 26 H GLY 26 1.354 -2.564 -5.916 204 1HA GLY 26 1HA GLY 26 -0.349 -2.377 -7.502 205 2HA GLY 26 2HA GLY 26 0.320 -3.723 -8.404 206 H ARG 27 H ARG 27 0.248 -4.154 -4.935 207 HA ARG 27 HA ARG 27 -2.096 -5.841 -5.298 208 1HB ARG 27 1HB ARG 27 0.286 -6.839 -4.701 209 2HB ARG 27 2HB ARG 27 -0.048 -6.243 -3.087 210 1HG ARG 27 1HG ARG 27 -2.277 -7.515 -3.189 211 2HG ARG 27 2HG ARG 27 -1.713 -8.244 -4.680 212 1HD ARG 27 1HD ARG 27 0.305 -8.411 -2.528 213 2HD ARG 27 2HD ARG 27 -1.201 -9.187 -2.082 214 HE ARG 27 HE ARG 27 -0.611 -10.009 -4.733 215 1HH1 ARG 27 2HH2 ARG 27 0.766 -10.344 -1.512 216 2HH1 ARG 27 1HH2 ARG 27 1.510 -11.871 -1.850 217 1HH2 ARG 27 2HH1 ARG 27 0.371 -12.023 -5.180 218 2HH2 ARG 27 1HH1 ARG 27 1.284 -12.832 -3.950 219 H VAL 28 H VAL 28 -3.862 -5.456 -3.952 220 HA VAL 28 HA VAL 28 -3.638 -3.206 -2.155 221 HB VAL 28 HB VAL 28 -5.888 -4.883 -3.245 222 1HG1 VAL 28 1HG1 VAL 28 -5.874 -3.132 -0.836 223 2HG1 VAL 28 2HG1 VAL 28 -7.240 -2.942 -1.961 224 3HG1 VAL 28 3HG1 VAL 28 -6.900 -4.531 -1.236 225 1HG2 VAL 28 1HG2 VAL 28 -5.797 -3.319 -4.839 226 2HG2 VAL 28 2HG2 VAL 28 -6.379 -2.154 -3.626 227 3HG2 VAL 28 3HG2 VAL 28 -4.632 -2.344 -3.910 228 H PHE 29 H PHE 29 -3.240 -3.374 -0.012 229 HA PHE 29 HA PHE 29 -3.706 -6.012 1.192 230 1HB PHE 29 1HB PHE 29 -1.642 -3.777 1.597 231 2HB PHE 29 2HB PHE 29 -1.868 -5.019 2.814 232 HD1 PHE 29 1HD PHE 29 -1.865 -7.510 1.730 233 HD2 PHE 29 2HD PHE 29 0.093 -4.103 0.127 234 HE1 PHE 29 1HE PHE 29 -0.270 -9.006 0.499 235 HE2 PHE 29 2HE PHE 29 1.688 -5.599 -1.104 236 HZ PHE 29 HZ PHE 29 1.488 -8.033 -0.904 237 H ASP 30 H ASP 30 -4.468 -6.059 3.413 238 HA ASP 30 HA ASP 30 -6.065 -3.713 3.969 239 1HB ASP 30 1HB ASP 30 -7.488 -5.534 4.169 240 2HB ASP 30 2HB ASP 30 -6.196 -6.631 4.614 241 H VAL 31 H VAL 31 -5.441 -2.324 5.640 242 HA VAL 31 HA VAL 31 -3.614 -3.420 7.661 243 HB VAL 31 HB VAL 31 -2.359 -1.390 7.636 244 1HG1 VAL 31 1HG1 VAL 31 -2.177 -3.249 5.721 245 2HG1 VAL 31 2HG1 VAL 31 -2.558 -1.847 4.693 246 3HG1 VAL 31 3HG1 VAL 31 -1.131 -1.810 5.756 247 1HG2 VAL 31 1HG2 VAL 31 -3.017 0.206 5.561 248 2HG2 VAL 31 2HG2 VAL 31 -4.635 -0.384 6.010 249 3HG2 VAL 31 3HG2 VAL 31 -3.626 0.448 7.216 250 H THR 32 H THR 32 -6.690 -2.576 7.136 251 HA THR 32 HA THR 32 -7.305 -0.504 8.856 252 HB THR 32 HB THR 32 -9.169 -1.181 7.665 253 HG1 THR 32 1HG THR 32 -9.821 -1.513 9.874 254 1HG2 THR 32 1HG2 THR 32 -7.906 -3.936 7.859 255 2HG2 THR 32 2HG2 THR 32 -9.641 -3.792 7.487 256 3HG2 THR 32 3HG2 THR 32 -8.434 -3.051 6.408 257 H THR 33 H THR 33 -6.152 -3.744 9.581 258 HA THR 33 HA THR 33 -7.157 -4.056 12.145 259 HB THR 33 HB THR 33 -6.015 -5.846 10.915 260 HG1 THR 33 1HG THR 33 -4.772 -6.466 12.748 261 1HG2 THR 33 1HG2 THR 33 -3.683 -5.799 10.355 262 2HG2 THR 33 2HG2 THR 33 -4.284 -4.208 9.829 263 3HG2 THR 33 3HG2 THR 33 -3.390 -4.360 11.361 264 H GLY 34 H GLY 34 -5.244 -1.509 10.980 265 1HA GLY 34 1HA GLY 34 -4.769 -0.612 13.707 266 2HA GLY 34 2HA GLY 34 -3.339 -0.882 12.732 267 H LYS 35 H LYS 35 -6.622 0.366 11.812 268 HA LYS 35 HA LYS 35 -5.734 2.232 10.024 269 1HB LYS 35 1HB LYS 35 -7.914 2.954 9.933 270 2HB LYS 35 2HB LYS 35 -8.122 1.363 10.638 271 1HG LYS 35 1HG LYS 35 -8.436 2.246 12.843 272 2HG LYS 35 2HG LYS 35 -7.757 3.803 12.413 273 1HD LYS 35 1HD LYS 35 -9.856 3.632 10.620 274 2HD LYS 35 2HD LYS 35 -10.514 2.757 11.988 275 1HE LYS 35 1HE LYS 35 -9.358 4.955 13.237 276 2HE LYS 35 2HE LYS 35 -9.895 5.652 11.721 277 1HZ LYS 35 1HZ LYS 35 -11.739 5.798 13.031 278 2HZ LYS 35 2HZ LYS 35 -12.047 4.394 12.257 279 3HZ LYS 35 3HZ LYS 35 -11.491 4.375 13.793 280 H SER 36 H SER 36 -5.526 2.248 13.520 281 HA SER 36 HA SER 36 -5.506 4.938 14.008 282 1HB SER 36 1HB SER 36 -5.189 2.709 15.524 283 2HB SER 36 2HB SER 36 -3.518 3.233 15.470 284 HG SER 36 HG SER 36 -5.708 4.972 16.218 285 H PHE 37 H PHE 37 -3.302 3.009 12.152 286 HA PHE 37 HA PHE 37 -1.233 5.072 12.383 287 1HB PHE 37 1HB PHE 37 -1.259 2.184 11.317 288 2HB PHE 37 2HB PHE 37 0.165 3.205 11.314 289 HD1 PHE 37 1HD PHE 37 1.313 3.746 13.407 290 HD2 PHE 37 2HD PHE 37 -2.067 1.180 13.365 291 HE1 PHE 37 1HE PHE 37 1.887 2.952 15.718 292 HE2 PHE 37 2HE PHE 37 -1.492 0.386 15.676 293 HZ PHE 37 HZ PHE 37 0.478 1.281 16.824 294 H TYR 38 H TYR 38 -3.194 3.099 10.081 295 HA TYR 38 HA TYR 38 -2.182 4.696 7.868 296 1HB TYR 38 1HB TYR 38 -3.391 2.060 8.435 297 2HB TYR 38 2HB TYR 38 -4.297 2.861 7.167 298 HD1 TYR 38 1HD TYR 38 -1.545 0.773 7.844 299 HD2 TYR 38 2HD TYR 38 -2.806 3.908 5.220 300 HE1 TYR 38 1HE TYR 38 0.195 0.053 6.136 301 HE2 TYR 38 2HE TYR 38 -1.061 3.178 3.521 302 HH TYR 38 HH TYR 38 1.365 0.833 4.324 303 H GLY 39 H GLY 39 -5.189 4.058 9.738 304 1HA GLY 39 1HA GLY 39 -7.098 5.244 8.208 305 2HA GLY 39 2HA GLY 39 -7.047 5.317 9.958 306 H SER 40 H SER 40 -8.214 7.457 8.840 307 HA SER 40 HA SER 40 -6.923 9.472 7.758 308 1HB SER 40 1HB SER 40 -9.248 9.664 8.432 309 2HB SER 40 2HB SER 40 -8.829 9.562 10.131 310 HG SER 40 HG SER 40 -7.677 11.610 9.899 311 H GLY 41 H GLY 41 -5.205 10.842 8.197 312 1HA GLY 41 1HA GLY 41 -3.295 11.484 9.227 313 2HA GLY 41 2HA GLY 41 -4.389 11.930 10.521 314 H GLY 42 H GLY 42 -2.287 9.313 9.245 315 1HA GLY 42 1HA GLY 42 -1.844 8.417 12.000 316 2HA GLY 42 2HA GLY 42 -2.436 7.245 10.838 317 H ASP 43 H ASP 43 -0.122 6.455 11.777 318 HA ASP 43 HA ASP 43 2.209 7.512 11.062 319 1HB ASP 43 1HB ASP 43 1.215 4.915 11.749 320 2HB ASP 43 2HB ASP 43 2.259 4.685 10.361 321 H TYR 44 H TYR 44 0.086 5.365 9.028 322 HA TYR 44 HA TYR 44 1.726 6.017 6.695 323 1HB TYR 44 1HB TYR 44 -0.684 4.149 6.829 324 2HB TYR 44 2HB TYR 44 0.746 3.982 5.831 325 HD1 TYR 44 1HD TYR 44 -0.915 2.620 8.551 326 HD2 TYR 44 2HD TYR 44 3.024 3.762 7.333 327 HE1 TYR 44 1HE TYR 44 0.083 1.003 10.240 328 HE2 TYR 44 2HE TYR 44 4.009 2.142 9.027 329 HH TYR 44 HH TYR 44 3.182 1.146 11.254 330 H SER 45 H SER 45 0.524 8.296 7.291 331 HA SER 45 HA SER 45 -2.143 8.438 6.407 332 1HB SER 45 1HB SER 45 -1.912 10.824 6.704 333 2HB SER 45 2HB SER 45 -1.030 10.048 8.004 334 HG SER 45 HG SER 45 -0.070 11.573 5.823 335 H MET 46 H MET 46 1.072 8.711 4.901 336 HA MET 46 HA MET 46 0.013 9.858 2.512 337 1HB MET 46 1HB MET 46 2.437 9.378 1.722 338 2HB MET 46 2HB MET 46 2.285 10.455 3.096 339 1HG MET 46 1HG MET 46 2.455 7.568 3.820 340 2HG MET 46 2HG MET 46 3.890 8.201 3.039 341 1HE MET 46 1HE MET 46 4.252 10.813 3.472 342 2HE MET 46 2HE MET 46 3.047 11.555 4.552 343 3HE MET 46 3HE MET 46 4.719 11.317 5.114 344 H PHE 47 H PHE 47 0.794 6.634 3.790 345 HA PHE 47 HA PHE 47 0.756 5.370 1.233 346 1HB PHE 47 1HB PHE 47 0.377 4.297 4.093 347 2HB PHE 47 2HB PHE 47 0.827 3.326 2.706 348 HD1 PHE 47 1HD PHE 47 2.644 5.942 1.855 349 HD2 PHE 47 2HD PHE 47 2.438 3.233 5.115 350 HE1 PHE 47 1HE PHE 47 5.070 6.355 2.351 351 HE2 PHE 47 2HE PHE 47 4.864 3.646 5.611 352 HZ PHE 47 HZ PHE 47 6.151 5.201 4.224 353 H ALA 48 H ALA 48 -1.595 6.094 3.826 354 HA ALA 48 HA ALA 48 -3.576 4.297 3.194 355 1HB ALA 48 1HB ALA 48 -4.001 7.190 4.024 356 2HB ALA 48 2HB ALA 48 -5.032 5.785 4.389 357 3HB ALA 48 3HB ALA 48 -3.425 5.928 5.140 358 H GLY 49 H GLY 49 -4.784 3.945 1.400 359 1HA GLY 49 1HA GLY 49 -5.829 4.296 -0.559 360 2HA GLY 49 2HA GLY 49 -5.937 5.994 -0.138 361 H LYS 50 H LYS 50 -2.856 4.169 -0.399 362 HA LYS 50 HA LYS 50 -2.334 5.012 -3.059 363 1HB LYS 50 1HB LYS 50 -1.250 6.649 -0.779 364 2HB LYS 50 2HB LYS 50 -0.304 6.448 -2.240 365 1HG LYS 50 1HG LYS 50 -2.721 7.057 -3.359 366 2HG LYS 50 2HG LYS 50 -2.891 7.908 -1.836 367 1HD LYS 50 1HD LYS 50 -0.858 9.197 -2.237 368 2HD LYS 50 2HD LYS 50 -0.438 8.213 -3.625 369 1HE LYS 50 1HE LYS 50 -1.929 9.293 -5.020 370 2HE LYS 50 2HE LYS 50 -3.140 9.473 -3.767 371 1HZ LYS 50 1HZ LYS 50 -2.462 11.557 -3.676 372 2HZ LYS 50 2HZ LYS 50 -1.099 11.038 -2.940 373 3HZ LYS 50 3HZ LYS 50 -1.113 11.281 -4.555 374 H ASP 51 H ASP 51 -0.359 4.074 -3.869 375 HA ASP 51 HA ASP 51 0.365 1.787 -2.312 376 1HB ASP 51 1HB ASP 51 -0.049 1.654 -4.778 377 2HB ASP 51 2HB ASP 51 1.295 2.743 -5.062 378 H ALA 52 H ALA 52 1.902 2.227 -0.698 379 HA ALA 52 HA ALA 52 3.979 4.183 -1.262 380 1HB ALA 52 1HB ALA 52 3.589 2.627 1.306 381 2HB ALA 52 2HB ALA 52 4.306 4.239 1.073 382 3HB ALA 52 3HB ALA 52 2.549 4.014 0.899 383 H SER 53 H SER 53 4.444 2.273 -3.032 384 HA SER 53 HA SER 53 5.875 0.092 -1.946 385 1HB SER 53 1HB SER 53 5.366 1.187 -4.715 386 2HB SER 53 2HB SER 53 6.625 -0.014 -4.502 387 HG SER 53 HG SER 53 4.718 -1.137 -3.194 388 H ARG 54 H ARG 54 6.818 3.024 -3.893 389 HA ARG 54 HA ARG 54 9.535 2.549 -3.644 390 1HB ARG 54 1HB ARG 54 8.333 5.330 -3.943 391 2HB ARG 54 2HB ARG 54 9.819 4.717 -4.642 392 1HG ARG 54 1HG ARG 54 7.775 2.978 -5.588 393 2HG ARG 54 2HG ARG 54 7.098 4.591 -5.703 394 1HD ARG 54 1HD ARG 54 9.928 4.160 -6.675 395 2HD ARG 54 2HD ARG 54 8.611 3.577 -7.673 396 HE ARG 54 HE ARG 54 9.115 6.422 -6.934 397 1HH1 ARG 54 2HH2 ARG 54 7.253 4.054 -8.753 398 2HH1 ARG 54 1HH2 ARG 54 6.522 5.235 -9.788 399 1HH2 ARG 54 2HH1 ARG 54 8.151 7.981 -8.300 400 2HH2 ARG 54 1HH1 ARG 54 7.037 7.483 -9.529 401 H ALA 55 H ALA 55 7.188 4.510 -1.730 402 HA ALA 55 HA ALA 55 9.033 5.811 -0.102 403 1HB ALA 55 1HB ALA 55 6.264 5.704 -0.437 404 2HB ALA 55 2HB ALA 55 6.515 5.095 1.216 405 3HB ALA 55 3HB ALA 55 7.142 6.695 0.752 406 H LEU 56 H LEU 56 7.551 2.547 0.044 407 HA LEU 56 HA LEU 56 8.580 2.003 2.644 408 1HB LEU 56 1HB LEU 56 7.137 0.506 0.509 409 2HB LEU 56 2HB LEU 56 8.001 -0.418 1.721 410 HG LEU 56 HG LEU 56 5.921 1.682 2.380 411 1HD1 LEU 56 1HD1 LEU 56 4.286 -0.002 2.603 412 2HD1 LEU 56 2HD1 LEU 56 5.066 -0.293 1.030 413 3HD1 LEU 56 3HD1 LEU 56 5.486 -1.306 2.432 414 1HD2 LEU 56 1HD2 LEU 56 6.508 -0.485 4.288 415 2HD2 LEU 56 2HD2 LEU 56 7.848 0.653 4.008 416 3HD2 LEU 56 3HD2 LEU 56 6.266 1.258 4.556 417 H GLY 57 H GLY 57 9.529 1.163 -0.746 418 1HA GLY 57 1HA GLY 57 11.709 -0.453 -0.147 419 2HA GLY 57 2HA GLY 57 11.494 0.496 -1.604 420 H LYS 58 H LYS 58 11.935 2.977 -1.325 421 HA LYS 58 HA LYS 58 14.584 3.246 -0.456 422 1HB LYS 58 1HB LYS 58 12.607 5.467 -1.033 423 2HB LYS 58 2HB LYS 58 14.356 5.553 -1.108 424 1HG LYS 58 1HG LYS 58 14.427 4.615 -3.189 425 2HG LYS 58 2HG LYS 58 13.295 3.349 -2.754 426 1HD LYS 58 1HD LYS 58 11.493 4.492 -3.592 427 2HD LYS 58 2HD LYS 58 12.031 6.024 -2.933 428 1HE LYS 58 1HE LYS 58 13.549 4.831 -5.264 429 2HE LYS 58 2HE LYS 58 12.008 5.608 -5.571 430 1HZ LYS 58 1HZ LYS 58 12.843 7.580 -4.499 431 2HZ LYS 58 2HZ LYS 58 14.271 6.858 -4.173 432 3HZ LYS 58 3HZ LYS 58 13.838 7.148 -5.720 433 H MET 59 H MET 59 11.523 3.392 1.209 434 HA MET 59 HA MET 59 11.023 3.697 3.304 435 1HB MET 59 1HB MET 59 14.051 3.913 3.763 436 2HB MET 59 2HB MET 59 12.866 3.685 5.033 437 1HG MET 59 1HG MET 59 12.400 1.465 4.399 438 2HG MET 59 2HG MET 59 12.880 1.724 2.734 439 1HE MET 59 1HE MET 59 14.004 -0.836 4.697 440 2HE MET 59 2HE MET 59 15.240 -0.255 5.839 441 3HE MET 59 3HE MET 59 13.572 0.357 5.945 442 H SER 60 H SER 60 10.734 5.908 1.730 443 HA SER 60 HA SER 60 11.946 8.066 3.255 444 1HB SER 60 1HB SER 60 11.975 7.803 0.600 445 2HB SER 60 2HB SER 60 10.374 8.505 0.715 446 HG SER 60 HG SER 60 11.885 10.029 2.292 447 H LYS 61 H LYS 61 8.921 6.439 2.403 448 HA LYS 61 HA LYS 61 6.838 6.684 3.089 449 1HB LYS 61 1HB LYS 61 7.951 8.386 5.336 450 2HB LYS 61 2HB LYS 61 6.414 7.547 5.312 451 1HG LYS 61 1HG LYS 61 8.168 5.483 4.718 452 2HG LYS 61 2HG LYS 61 9.149 6.472 5.782 453 1HD LYS 61 1HD LYS 61 7.603 6.283 7.593 454 2HD LYS 61 2HD LYS 61 6.291 5.782 6.544 455 1HE LYS 61 1HE LYS 61 7.363 3.610 6.135 456 2HE LYS 61 2HE LYS 61 8.808 4.111 6.992 457 1HZ LYS 61 1HZ LYS 61 6.441 4.410 8.539 458 2HZ LYS 61 2HZ LYS 61 6.708 2.862 8.093 459 3HZ LYS 61 3HZ LYS 61 7.850 3.680 8.925 460 H ASN 62 H ASN 62 8.079 8.564 1.138 461 HA ASN 62 HA ASN 62 6.784 11.050 1.710 462 1HB ASN 62 1HB ASN 62 8.945 11.093 0.531 463 2HB ASN 62 2HB ASN 62 8.346 10.007 -0.707 464 1HD2 ASN 62 1HD2 ASN 62 6.442 12.569 0.747 465 2HD2 ASN 62 2HD2 ASN 62 6.324 13.601 -0.639 466 H GLU 63 H GLU 63 4.786 11.702 0.796 467 HA GLU 63 HA GLU 63 3.127 9.724 -0.224 468 1HB GLU 63 1HB GLU 63 2.742 12.180 0.893 469 2HB GLU 63 2HB GLU 63 2.458 12.587 -0.787 470 1HG GLU 63 1HG GLU 63 1.019 10.241 -0.581 471 2HG GLU 63 2HG GLU 63 0.848 10.870 1.046 472 H GLU 64 H GLU 64 5.574 11.656 -1.719 473 HA GLU 64 HA GLU 64 4.323 11.516 -4.308 474 1HB GLU 64 1HB GLU 64 7.160 12.434 -3.996 475 2HB GLU 64 2HB GLU 64 5.879 13.092 -4.996 476 1HG GLU 64 1HG GLU 64 5.160 13.331 -2.175 477 2HG GLU 64 2HG GLU 64 6.742 14.034 -2.449 478 H ASP 65 H ASP 65 6.588 9.755 -2.296 479 HA ASP 65 HA ASP 65 7.962 8.524 -4.430 480 1HB ASP 65 1HB ASP 65 7.790 8.245 -1.453 481 2HB ASP 65 2HB ASP 65 8.293 6.804 -2.314 482 H VAL 66 H VAL 66 5.142 7.793 -2.306 483 HA VAL 66 HA VAL 66 4.735 5.155 -2.774 484 HB VAL 66 HB VAL 66 2.656 5.496 -1.934 485 1HG1 VAL 66 1HG1 VAL 66 2.740 7.157 -0.295 486 2HG1 VAL 66 2HG1 VAL 66 4.456 6.896 -0.692 487 3HG1 VAL 66 3HG1 VAL 66 3.593 8.304 -1.357 488 1HG2 VAL 66 1HG2 VAL 66 1.296 7.611 -2.445 489 2HG2 VAL 66 2HG2 VAL 66 2.499 7.934 -3.716 490 3HG2 VAL 66 3HG2 VAL 66 1.524 6.446 -3.771 491 H SER 67 H SER 67 4.587 3.939 -4.580 492 HA SER 67 HA SER 67 3.371 5.228 -6.893 493 1HB SER 67 1HB SER 67 4.988 4.177 -8.370 494 2HB SER 67 2HB SER 67 5.864 5.065 -7.139 495 HG SER 67 HG SER 67 5.438 2.212 -7.304 496 HA PRO 68 HA PRO 68 0.932 1.597 -6.585 497 1HB PRO 68 1HB PRO 68 -0.806 2.136 -8.624 498 2HB PRO 68 2HB PRO 68 -1.008 2.765 -7.002 499 1HG PRO 68 1HG PRO 68 -0.087 4.171 -9.434 500 2HG PRO 68 2HG PRO 68 -0.695 4.850 -7.937 501 1HD PRO 68 1HD PRO 68 2.045 4.724 -8.776 502 2HD PRO 68 2HD PRO 68 1.447 5.297 -7.231 503 H SER 69 H SER 69 3.305 2.170 -8.637 504 HA SER 69 HA SER 69 3.018 -0.475 -9.713 505 1HB SER 69 1HB SER 69 2.643 0.069 -11.880 506 2HB SER 69 2HB SER 69 2.189 1.657 -11.295 507 HG SER 69 HG SER 69 3.777 2.219 -12.671 508 H LEU 70 H LEU 70 5.074 -1.424 -10.222 509 HA LEU 70 HA LEU 70 7.287 -0.025 -9.022 510 1HB LEU 70 1HB LEU 70 8.417 -2.267 -9.757 511 2HB LEU 70 2HB LEU 70 7.361 -2.183 -8.360 512 HG LEU 70 HG LEU 70 6.176 -2.916 -11.014 513 1HD1 LEU 70 1HD1 LEU 70 7.480 -4.999 -9.262 514 2HD1 LEU 70 2HD1 LEU 70 6.823 -5.172 -10.908 515 3HD1 LEU 70 3HD1 LEU 70 8.321 -4.248 -10.639 516 1HD2 LEU 70 1HD2 LEU 70 5.457 -4.325 -8.514 517 2HD2 LEU 70 2HD2 LEU 70 5.081 -2.586 -8.564 518 3HD2 LEU 70 3HD2 LEU 70 4.428 -3.675 -9.812 519 H GLU 71 H GLU 71 6.510 1.533 -11.099 520 HA GLU 71 HA GLU 71 8.080 0.739 -13.384 521 1HB GLU 71 1HB GLU 71 7.059 2.695 -14.490 522 2HB GLU 71 2HB GLU 71 5.829 1.683 -13.760 523 1HG GLU 71 1HG GLU 71 5.475 3.198 -11.948 524 2HG GLU 71 2HG GLU 71 7.003 4.015 -12.210 525 H GLY 72 H GLY 72 9.774 1.030 -11.259 526 1HA GLY 72 1HA GLY 72 11.722 2.746 -12.070 527 2HA GLY 72 2HA GLY 72 10.739 3.727 -11.000 528 H LEU 73 H LEU 73 9.931 1.141 -9.477 529 HA LEU 73 HA LEU 73 11.421 1.349 -7.290 530 1HB LEU 73 1HB LEU 73 9.937 -0.865 -8.568 531 2HB LEU 73 2HB LEU 73 11.055 -1.334 -7.303 532 HG LEU 73 HG LEU 73 8.625 -0.895 -6.648 533 1HD1 LEU 73 1HD1 LEU 73 10.411 0.817 -4.972 534 2HD1 LEU 73 2HD1 LEU 73 9.254 -0.449 -4.497 535 3HD1 LEU 73 3HD1 LEU 73 10.831 -0.899 -5.189 536 1HD2 LEU 73 1HD2 LEU 73 9.358 2.009 -6.508 537 2HD2 LEU 73 2HD2 LEU 73 8.698 1.336 -8.018 538 3HD2 LEU 73 3HD2 LEU 73 7.757 1.231 -6.511 539 H THR 74 H THR 74 13.599 1.769 -7.337 540 HA THR 74 HA THR 74 15.372 0.410 -9.077 541 HB THR 74 HB THR 74 17.035 1.753 -7.941 542 HG1 THR 74 1HG THR 74 16.297 1.004 -5.782 543 1HG2 THR 74 1HG2 THR 74 14.814 3.574 -7.182 544 2HG2 THR 74 2HG2 THR 74 16.152 3.844 -8.325 545 3HG2 THR 74 3HG2 THR 74 14.694 2.969 -8.852 546 H GLU 75 H GLU 75 17.542 -0.413 -7.659 547 HA GLU 75 HA GLU 75 16.670 -2.962 -6.875 548 1HB GLU 75 1HB GLU 75 19.179 -1.619 -7.467 549 2HB GLU 75 2HB GLU 75 19.358 -2.567 -6.004 550 1HG GLU 75 1HG GLU 75 17.926 -4.302 -7.648 551 2HG GLU 75 2HG GLU 75 18.954 -3.474 -8.799 552 H LYS 76 H LYS 76 17.861 -0.043 -5.125 553 HA LYS 76 HA LYS 76 18.135 -1.130 -2.616 554 1HB LYS 76 1HB LYS 76 18.305 1.037 -1.877 555 2HB LYS 76 2HB LYS 76 18.632 1.251 -3.585 556 1HG LYS 76 1HG LYS 76 16.364 2.005 -4.019 557 2HG LYS 76 2HG LYS 76 15.824 1.514 -2.426 558 1HD LYS 76 1HD LYS 76 16.142 3.773 -2.012 559 2HD LYS 76 2HD LYS 76 17.750 3.200 -1.617 560 1HE LYS 76 1HE LYS 76 18.547 3.758 -3.898 561 2HE LYS 76 2HE LYS 76 16.930 4.239 -4.372 562 1HZ LYS 76 1HZ LYS 76 18.742 5.891 -3.370 563 2HZ LYS 76 2HZ LYS 76 17.133 6.164 -3.299 564 3HZ LYS 76 3HZ LYS 76 17.911 5.530 -2.011 565 H GLU 77 H GLU 77 15.180 0.301 -4.157 566 HA GLU 77 HA GLU 77 13.607 -0.386 -1.907 567 1HB GLU 77 1HB GLU 77 11.706 0.224 -3.602 568 2HB GLU 77 2HB GLU 77 12.790 1.487 -3.055 569 1HG GLU 77 1HG GLU 77 13.987 0.185 -5.351 570 2HG GLU 77 2HG GLU 77 12.329 0.592 -5.748 571 H ILE 78 H ILE 78 14.278 -1.780 -5.149 572 HA ILE 78 HA ILE 78 12.281 -3.661 -5.259 573 HB ILE 78 HB ILE 78 15.019 -3.384 -6.379 574 1HG1 ILE 78 1HG1 ILE 78 12.504 -2.624 -7.180 575 2HG1 ILE 78 2HG1 ILE 78 13.916 -2.738 -8.211 576 1HG2 ILE 78 1HG2 ILE 78 15.168 -5.686 -5.939 577 2HG2 ILE 78 2HG2 ILE 78 13.457 -5.966 -6.343 578 3HG2 ILE 78 3HG2 ILE 78 14.622 -5.573 -7.630 579 1HD1 ILE 78 1HD1 ILE 78 13.305 -4.882 -9.038 580 2HD1 ILE 78 2HD1 ILE 78 12.179 -5.175 -7.691 581 3HD1 ILE 78 3HD1 ILE 78 11.764 -3.996 -8.959 582 H ASN 79 H ASN 79 15.155 -3.504 -3.207 583 HA ASN 79 HA ASN 79 14.844 -6.264 -2.469 584 1HB ASN 79 1HB ASN 79 16.812 -4.047 -1.814 585 2HB ASN 79 2HB ASN 79 16.738 -5.445 -0.760 586 1HD2 ASN 79 1HD2 ASN 79 18.274 -4.152 -3.322 587 2HD2 ASN 79 2HD2 ASN 79 18.851 -5.566 -4.139 588 H THR 80 H THR 80 14.491 -2.914 -1.151 589 HA THR 80 HA THR 80 13.667 -3.811 1.442 590 HB THR 80 HB THR 80 13.660 -1.114 -0.009 591 HG1 THR 80 1HG THR 80 15.764 -1.871 0.504 592 1HG2 THR 80 1HG2 THR 80 12.922 -1.920 2.832 593 2HG2 THR 80 2HG2 THR 80 13.680 -0.342 2.512 594 3HG2 THR 80 3HG2 THR 80 12.113 -0.744 1.769 595 H LEU 81 H LEU 81 12.026 -2.651 -1.543 596 HA LEU 81 HA LEU 81 9.472 -2.543 -0.413 597 1HB LEU 81 1HB LEU 81 9.835 -1.395 -2.413 598 2HB LEU 81 2HB LEU 81 10.547 -2.788 -3.205 599 HG LEU 81 HG LEU 81 8.015 -3.705 -2.674 600 1HD1 LEU 81 1HD1 LEU 81 6.528 -1.831 -3.547 601 2HD1 LEU 81 2HD1 LEU 81 7.084 -1.701 -1.862 602 3HD1 LEU 81 3HD1 LEU 81 7.859 -0.724 -3.132 603 1HD2 LEU 81 1HD2 LEU 81 9.131 -2.325 -5.123 604 2HD2 LEU 81 2HD2 LEU 81 9.091 -4.067 -4.761 605 3HD2 LEU 81 3HD2 LEU 81 7.578 -3.194 -5.103 606 H ASN 82 H ASN 82 11.174 -5.162 -2.257 607 HA ASN 82 HA ASN 82 9.215 -6.971 -2.380 608 1HB ASN 82 1HB ASN 82 12.036 -6.977 -2.630 609 2HB ASN 82 2HB ASN 82 11.718 -8.232 -1.449 610 1HD2 ASN 82 1HD2 ASN 82 11.999 -7.547 -4.658 611 2HD2 ASN 82 2HD2 ASN 82 11.150 -8.882 -5.363 612 H ASP 83 H ASP 83 11.678 -6.722 0.308 613 HA ASP 83 HA ASP 83 10.552 -8.604 1.934 614 1HB ASP 83 1HB ASP 83 12.702 -6.830 2.045 615 2HB ASP 83 2HB ASP 83 11.688 -6.256 3.353 616 H TRP 84 H TRP 84 9.881 -5.097 1.496 617 HA TRP 84 HA TRP 84 8.304 -4.680 3.747 618 1HB TRP 84 1HB TRP 84 8.814 -3.340 1.178 619 2HB TRP 84 2HB TRP 84 7.237 -3.008 1.866 620 HD1 TRP 84 HD TRP 84 10.242 -1.233 1.800 621 HE1 TRP 84 1HE TRP 84 10.855 0.164 3.952 622 HE3 TRP 84 3HE TRP 84 7.075 -3.684 4.934 623 HZ2 TRP 84 2HZ TRP 84 9.967 0.090 6.664 624 HZ3 TRP 84 3HZ TRP 84 7.010 -2.959 7.318 625 HH2 TRP 84 HH TRP 84 8.388 -1.142 8.197 626 H GLU 85 H GLU 85 7.563 -5.905 0.429 627 HA GLU 85 HA GLU 85 4.816 -6.000 0.782 628 1HB GLU 85 1HB GLU 85 5.350 -6.231 -1.445 629 2HB GLU 85 2HB GLU 85 6.811 -7.141 -1.118 630 1HG GLU 85 1HG GLU 85 4.292 -8.551 -0.376 631 2HG GLU 85 2HG GLU 85 4.464 -8.233 -2.091 632 H THR 86 H THR 86 7.375 -8.537 1.208 633 HA THR 86 HA THR 86 5.638 -10.591 1.967 634 HB THR 86 HB THR 86 8.589 -9.957 2.402 635 HG1 THR 86 1HG THR 86 8.448 -10.909 0.411 636 1HG2 THR 86 1HG2 THR 86 8.802 -11.704 3.856 637 2HG2 THR 86 2HG2 THR 86 7.030 -11.867 3.904 638 3HG2 THR 86 3HG2 THR 86 7.974 -12.768 2.693 639 H LYS 87 H LYS 87 6.926 -7.815 3.757 640 HA LYS 87 HA LYS 87 6.244 -8.914 6.301 641 1HB LYS 87 1HB LYS 87 6.993 -6.111 5.421 642 2HB LYS 87 2HB LYS 87 6.748 -6.592 7.088 643 1HG LYS 87 1HG LYS 87 8.659 -7.967 7.125 644 2HG LYS 87 2HG LYS 87 8.638 -8.229 5.392 645 1HD LYS 87 1HD LYS 87 9.879 -6.353 4.963 646 2HD LYS 87 2HD LYS 87 8.987 -5.380 6.115 647 1HE LYS 87 1HE LYS 87 11.096 -7.447 6.903 648 2HE LYS 87 2HE LYS 87 11.422 -5.734 6.730 649 1HZ LYS 87 1HZ LYS 87 10.914 -5.867 8.915 650 2HZ LYS 87 2HZ LYS 87 9.414 -5.565 8.344 651 3HZ LYS 87 3HZ LYS 87 9.843 -7.088 8.748 652 H PHE 88 H PHE 88 4.746 -6.664 3.922 653 HA PHE 88 HA PHE 88 2.510 -6.180 5.641 654 1HB PHE 88 1HB PHE 88 3.653 -5.362 3.016 655 2HB PHE 88 2HB PHE 88 1.907 -5.495 2.949 656 HD1 PHE 88 1HD PHE 88 4.285 -4.237 5.548 657 HD2 PHE 88 2HD PHE 88 0.930 -3.419 3.083 658 HE1 PHE 88 1HE PHE 88 4.072 -1.964 6.592 659 HE2 PHE 88 2HE PHE 88 0.717 -1.146 4.127 660 HZ PHE 88 HZ PHE 88 2.290 -0.446 5.869 661 H GLU 89 H GLU 89 3.224 -8.165 2.710 662 HA GLU 89 HA GLU 89 0.576 -9.013 2.399 663 1HB GLU 89 1HB GLU 89 1.685 -9.410 0.439 664 2HB GLU 89 2HB GLU 89 3.230 -9.636 1.234 665 1HG GLU 89 1HG GLU 89 1.069 -11.741 1.538 666 2HG GLU 89 2HG GLU 89 2.028 -11.693 0.073 667 H ALA 90 H ALA 90 3.377 -10.194 4.280 668 HA ALA 90 HA ALA 90 1.916 -12.589 5.040 669 1HB ALA 90 1HB ALA 90 4.442 -12.409 4.432 670 2HB ALA 90 2HB ALA 90 4.628 -11.726 6.065 671 3HB ALA 90 3HB ALA 90 3.979 -13.370 5.856 672 H LYS 91 H LYS 91 0.845 -9.927 5.748 673 HA LYS 91 HA LYS 91 0.589 -10.423 8.571 674 1HB LYS 91 1HB LYS 91 1.990 -7.975 7.505 675 2HB LYS 91 2HB LYS 91 1.090 -7.912 9.007 676 1HG LYS 91 1HG LYS 91 2.537 -10.224 9.391 677 2HG LYS 91 2HG LYS 91 3.651 -9.318 8.386 678 1HD LYS 91 1HD LYS 91 3.262 -7.327 9.997 679 2HD LYS 91 2HD LYS 91 2.458 -8.466 11.059 680 1HE LYS 91 1HE LYS 91 4.435 -9.346 11.773 681 2HE LYS 91 2HE LYS 91 5.029 -9.539 10.136 682 1HZ LYS 91 1HZ LYS 91 6.381 -7.983 11.262 683 2HZ LYS 91 2HZ LYS 91 5.517 -7.142 10.160 684 3HZ LYS 91 3HZ LYS 91 5.106 -7.081 11.739 685 H TYR 92 H TYR 92 -0.051 -8.092 5.863 686 HA TYR 92 HA TYR 92 -2.719 -7.659 6.930 687 1HB TYR 92 1HB TYR 92 -0.995 -6.611 4.606 688 2HB TYR 92 2HB TYR 92 -2.652 -6.084 4.825 689 HD1 TYR 92 1HD TYR 92 0.274 -4.680 5.012 690 HD2 TYR 92 2HD TYR 92 -2.771 -5.804 7.799 691 HE1 TYR 92 1HE TYR 92 1.058 -2.866 6.611 692 HE2 TYR 92 2HE TYR 92 -1.977 -3.986 9.389 693 HH TYR 92 HH TYR 92 -0.707 -2.218 9.606 694 HA PRO 93 HA PRO 93 -4.524 -10.456 4.153 695 1HB PRO 93 1HB PRO 93 -7.139 -9.693 4.374 696 2HB PRO 93 2HB PRO 93 -6.347 -10.745 5.530 697 1HG PRO 93 1HG PRO 93 -7.064 -7.891 5.810 698 2HG PRO 93 2HG PRO 93 -6.675 -9.053 7.062 699 1HD PRO 93 1HD PRO 93 -4.964 -6.987 6.045 700 2HD PRO 93 2HD PRO 93 -4.537 -8.221 7.214 701 H VAL 94 H VAL 94 -4.729 -10.701 1.999 702 HA VAL 94 HA VAL 94 -4.845 -8.181 0.562 703 HB VAL 94 HB VAL 94 -4.315 -11.018 -0.343 704 1HG1 VAL 94 1HG1 VAL 94 -5.117 -8.885 -1.909 705 2HG1 VAL 94 2HG1 VAL 94 -3.343 -8.825 -2.032 706 3HG1 VAL 94 3HG1 VAL 94 -4.216 -10.312 -2.472 707 1HG2 VAL 94 1HG2 VAL 94 -1.976 -10.410 -0.404 708 2HG2 VAL 94 2HG2 VAL 94 -2.354 -8.738 0.075 709 3HG2 VAL 94 3HG2 VAL 94 -2.616 -10.074 1.223 710 H VAL 95 H VAL 95 -6.836 -7.379 0.126 711 HA VAL 95 HA VAL 95 -9.035 -9.249 -0.181 712 HB VAL 95 HB VAL 95 -10.422 -7.254 -0.096 713 1HG1 VAL 95 1HG1 VAL 95 -9.211 -6.349 2.189 714 2HG1 VAL 95 2HG1 VAL 95 -10.236 -7.800 2.083 715 3HG1 VAL 95 3HG1 VAL 95 -8.465 -7.953 1.998 716 1HG2 VAL 95 1HG2 VAL 95 -8.400 -5.882 -1.209 717 2HG2 VAL 95 2HG2 VAL 95 -9.695 -5.101 -0.271 718 3HG2 VAL 95 3HG2 VAL 95 -8.126 -5.447 0.495 719 H GLY 96 H GLY 96 -6.655 -7.713 -2.095 720 1HA GLY 96 1HA GLY 96 -7.553 -8.733 -4.502 721 2HA GLY 96 2HA GLY 96 -8.199 -7.106 -4.405 722 H ARG 97 H ARG 97 -6.568 -7.247 -6.436 723 HA ARG 97 HA ARG 97 -4.041 -6.236 -5.404 724 1HB ARG 97 1HB ARG 97 -2.822 -7.456 -6.965 725 2HB ARG 97 2HB ARG 97 -4.180 -8.549 -6.780 726 1HG ARG 97 1HG ARG 97 -4.048 -6.367 -8.913 727 2HG ARG 97 2HG ARG 97 -3.557 -8.026 -9.193 728 1HD ARG 97 1HD ARG 97 -6.133 -8.204 -7.993 729 2HD ARG 97 2HD ARG 97 -6.253 -6.890 -9.145 730 HE ARG 97 HE ARG 97 -6.052 -8.435 -10.890 731 1HH1 ARG 97 2HH2 ARG 97 -4.903 -9.915 -7.911 732 2HH1 ARG 97 1HH2 ARG 97 -4.711 -11.486 -8.615 733 1HH2 ARG 97 2HH1 ARG 97 -5.799 -10.507 -11.819 734 2HH2 ARG 97 1HH1 ARG 97 -5.224 -11.825 -10.853 735 H VAL 98 H VAL 98 -3.424 -4.207 -6.191 736 HA VAL 98 HA VAL 98 -5.253 -2.557 -7.382 737 HB VAL 98 HB VAL 98 -2.246 -2.511 -7.222 738 1HG1 VAL 98 1HG1 VAL 98 -4.080 -0.365 -8.338 739 2HG1 VAL 98 2HG1 VAL 98 -2.385 -0.097 -7.862 740 3HG1 VAL 98 3HG1 VAL 98 -2.771 -1.218 -9.190 741 1HG2 VAL 98 1HG2 VAL 98 -2.977 -0.490 -5.691 742 2HG2 VAL 98 2HG2 VAL 98 -4.526 -1.365 -5.644 743 3HG2 VAL 98 3HG2 VAL 98 -3.036 -2.162 -5.084 744 H VAL 99 H VAL 99 -5.486 -1.681 -9.532 745 HA VAL 99 HA VAL 99 -4.224 -3.285 -11.628 746 HB VAL 99 HB VAL 99 -6.707 -2.890 -12.648 747 1HG1 VAL 99 1HG1 VAL 99 -6.929 -5.206 -12.587 748 2HG1 VAL 99 2HG1 VAL 99 -5.172 -4.983 -12.402 749 3HG1 VAL 99 3HG1 VAL 99 -6.179 -5.341 -10.979 750 1HG2 VAL 99 1HG2 VAL 99 -7.293 -2.087 -10.214 751 2HG2 VAL 99 2HG2 VAL 99 -8.419 -3.134 -11.111 752 3HG2 VAL 99 3HG2 VAL 99 -7.353 -3.832 -9.868 753 H SER 100 H SER 100 -6.488 -0.504 -11.006 754 HA SER 100 HA SER 100 -6.621 1.471 -11.906 755 1HB SER 100 1HB SER 100 -4.537 1.795 -10.611 756 2HB SER 100 2HB SER 100 -3.580 1.245 -11.972 757 HG SER 100 HG SER 100 -3.529 3.460 -12.140 Start of MODEL 11 1 1H GLY -1 H GLY -1 -8.534 -14.775 -11.320 2 1HA GLY -1 1HA GLY -1 -7.573 -14.014 -9.326 3 2HA GLY -1 2HA GLY -1 -7.950 -12.552 -10.217 4 HA PRO 0 HA PRO 0 -10.108 -12.409 -6.177 5 1HB PRO 0 1HB PRO 0 -8.765 -10.316 -5.042 6 2HB PRO 0 2HB PRO 0 -8.367 -11.994 -4.728 7 1HG PRO 0 1HG PRO 0 -6.934 -10.033 -6.413 8 2HG PRO 0 2HG PRO 0 -6.349 -11.547 -5.750 9 1HD PRO 0 1HD PRO 0 -7.148 -11.055 -8.461 10 2HD PRO 0 2HD PRO 0 -6.674 -12.594 -7.771 11 H MET 1 H MET 1 -10.672 -9.942 -5.015 12 HA MET 1 HA MET 1 -12.622 -9.101 -6.817 13 1HB MET 1 1HB MET 1 -11.437 -7.750 -4.328 14 2HB MET 1 2HB MET 1 -12.925 -7.241 -5.100 15 1HG MET 1 1HG MET 1 -13.387 -9.958 -4.761 16 2HG MET 1 2HG MET 1 -12.414 -9.594 -3.350 17 1HE MET 1 1HE MET 1 -14.196 -10.195 -1.793 18 2HE MET 1 2HE MET 1 -13.529 -8.672 -1.158 19 3HE MET 1 3HE MET 1 -15.288 -8.943 -1.154 20 H GLU 2 H GLU 2 -9.313 -7.966 -6.078 21 HA GLU 2 HA GLU 2 -8.026 -6.475 -6.990 22 1HB GLU 2 1HB GLU 2 -9.864 -6.684 -9.417 23 2HB GLU 2 2HB GLU 2 -8.239 -6.027 -9.424 24 1HG GLU 2 1HG GLU 2 -7.361 -8.102 -9.662 25 2HG GLU 2 2HG GLU 2 -8.128 -8.627 -8.176 26 H PHE 3 H PHE 3 -7.896 -4.376 -6.330 27 HA PHE 3 HA PHE 3 -10.329 -2.762 -6.614 28 1HB PHE 3 1HB PHE 3 -7.950 -2.855 -4.684 29 2HB PHE 3 2HB PHE 3 -8.970 -1.432 -4.758 30 HD1 PHE 3 1HD PHE 3 -10.792 -1.303 -3.344 31 HD2 PHE 3 2HD PHE 3 -9.253 -5.130 -4.339 32 HE1 PHE 3 1HE PHE 3 -12.395 -2.367 -1.732 33 HE2 PHE 3 2HE PHE 3 -10.856 -6.194 -2.727 34 HZ PHE 3 HZ PHE 3 -12.408 -4.800 -1.443 35 H THR 4 H THR 4 -10.274 -0.930 -7.855 36 HA THR 4 HA THR 4 -7.843 -0.382 -9.300 37 HB THR 4 HB THR 4 -9.364 1.219 -10.495 38 HG1 THR 4 1HG THR 4 -11.386 1.594 -9.525 39 1HG2 THR 4 1HG2 THR 4 -10.446 -1.570 -9.889 40 2HG2 THR 4 2HG2 THR 4 -11.294 -0.462 -10.994 41 3HG2 THR 4 3HG2 THR 4 -9.642 -1.006 -11.373 42 H ALA 5 H ALA 5 -6.811 1.715 -9.438 43 HA ALA 5 HA ALA 5 -6.066 2.697 -6.983 44 1HB ALA 5 1HB ALA 5 -4.618 3.177 -8.744 45 2HB ALA 5 2HB ALA 5 -5.935 3.694 -9.824 46 3HB ALA 5 3HB ALA 5 -5.404 4.755 -8.496 47 H GLU 6 H GLU 6 -8.846 3.512 -9.050 48 HA GLU 6 HA GLU 6 -9.426 5.913 -7.699 49 1HB GLU 6 1HB GLU 6 -10.195 4.946 -10.068 50 2HB GLU 6 2HB GLU 6 -11.545 4.324 -9.141 51 1HG GLU 6 1HG GLU 6 -12.483 6.390 -8.911 52 2HG GLU 6 2HG GLU 6 -10.961 7.124 -8.447 53 H GLN 7 H GLN 7 -10.637 2.511 -7.493 54 HA GLN 7 HA GLN 7 -12.495 3.156 -5.470 55 1HB GLN 7 1HB GLN 7 -11.652 0.780 -6.989 56 2HB GLN 7 2HB GLN 7 -12.010 0.395 -5.317 57 1HG GLN 7 1HG GLN 7 -14.191 0.327 -5.983 58 2HG GLN 7 2HG GLN 7 -14.119 2.078 -5.940 59 1HE2 GLN 7 1HE2 GLN 7 -13.674 3.248 -7.853 60 2HE2 GLN 7 2HE2 GLN 7 -14.022 2.598 -9.421 61 H LEU 8 H LEU 8 -9.128 1.926 -5.585 62 HA LEU 8 HA LEU 8 -8.944 1.155 -2.910 63 1HB LEU 8 1HB LEU 8 -7.230 0.322 -4.110 64 2HB LEU 8 2HB LEU 8 -7.110 1.727 -5.150 65 HG LEU 8 HG LEU 8 -5.097 1.392 -3.785 66 1HD1 LEU 8 1HD1 LEU 8 -4.706 3.606 -3.548 67 2HD1 LEU 8 2HD1 LEU 8 -6.272 3.736 -4.385 68 3HD1 LEU 8 3HD1 LEU 8 -6.195 3.887 -2.613 69 1HD2 LEU 8 1HD2 LEU 8 -6.401 0.410 -1.824 70 2HD2 LEU 8 2HD2 LEU 8 -5.042 1.493 -1.438 71 3HD2 LEU 8 3HD2 LEU 8 -6.715 2.092 -1.335 72 H SER 9 H SER 9 -8.407 4.310 -4.570 73 HA SER 9 HA SER 9 -7.359 5.641 -2.416 74 1HB SER 9 1HB SER 9 -7.537 6.432 -4.832 75 2HB SER 9 2HB SER 9 -9.216 6.826 -4.523 76 HG SER 9 HG SER 9 -8.475 8.268 -2.793 77 H GLN 10 H GLN 10 -10.483 4.267 -2.819 78 HA GLN 10 HA GLN 10 -11.793 6.200 -1.150 79 1HB GLN 10 1HB GLN 10 -12.989 3.538 -1.950 80 2HB GLN 10 2HB GLN 10 -13.802 5.065 -1.669 81 1HG GLN 10 1HG GLN 10 -12.640 6.005 -3.718 82 2HG GLN 10 2HG GLN 10 -11.965 4.416 -4.022 83 1HE2 GLN 10 1HE2 GLN 10 -13.983 2.724 -3.399 84 2HE2 GLN 10 2HE2 GLN 10 -15.338 2.935 -4.456 85 H TYR 11 H TYR 11 -9.435 4.333 -0.308 86 HA TYR 11 HA TYR 11 -10.646 3.608 2.234 87 1HB TYR 11 1HB TYR 11 -8.950 1.756 0.446 88 2HB TYR 11 2HB TYR 11 -9.603 1.319 2.013 89 HD1 TYR 11 1HD TYR 11 -10.036 0.814 -1.363 90 HD2 TYR 11 2HD TYR 11 -12.325 1.818 2.109 91 HE1 TYR 11 1HE TYR 11 -12.138 -0.078 -2.482 92 HE2 TYR 11 2HE TYR 11 -14.419 0.923 0.979 93 HH TYR 11 HH TYR 11 -14.836 0.590 -2.034 94 H ASN 12 H ASN 12 -9.146 5.794 2.105 95 HA ASN 12 HA ASN 12 -6.494 4.859 2.882 96 1HB ASN 12 1HB ASN 12 -5.542 6.887 2.009 97 2HB ASN 12 2HB ASN 12 -6.685 6.374 0.784 98 1HD2 ASN 12 1HD2 ASN 12 -8.897 7.259 0.932 99 2HD2 ASN 12 2HD2 ASN 12 -9.110 8.909 1.413 100 H GLY 13 H GLY 13 -9.173 5.301 4.376 101 1HA GLY 13 1HA GLY 13 -9.600 5.891 6.534 102 2HA GLY 13 2HA GLY 13 -8.063 6.726 6.626 103 H THR 14 H THR 14 -11.450 6.962 5.457 104 HA THR 14 HA THR 14 -11.240 9.868 5.757 105 HB THR 14 HB THR 14 -12.658 9.980 3.589 106 HG1 THR 14 1HG THR 14 -11.420 7.324 3.426 107 1HG2 THR 14 1HG2 THR 14 -10.749 9.888 2.110 108 2HG2 THR 14 2HG2 THR 14 -10.099 10.406 3.684 109 3HG2 THR 14 3HG2 THR 14 -9.911 8.717 3.156 110 H ASP 15 H ASP 15 -13.626 7.274 4.874 111 HA ASP 15 HA ASP 15 -15.614 8.651 6.354 112 1HB ASP 15 1HB ASP 15 -15.522 6.647 4.348 113 2HB ASP 15 2HB ASP 15 -16.216 5.843 5.742 114 H GLU 16 H GLU 16 -16.981 6.323 7.501 115 HA GLU 16 HA GLU 16 -15.196 5.878 9.743 116 1HB GLU 16 1HB GLU 16 -18.161 6.055 9.387 117 2HB GLU 16 2HB GLU 16 -17.603 4.921 10.600 118 1HG GLU 16 1HG GLU 16 -16.038 6.969 11.334 119 2HG GLU 16 2HG GLU 16 -17.254 7.921 10.504 120 H SER 17 H SER 17 -17.583 4.100 7.654 121 HA SER 17 HA SER 17 -16.642 1.604 8.612 122 1HB SER 17 1HB SER 17 -18.556 2.441 6.405 123 2HB SER 17 2HB SER 17 -18.126 0.760 6.648 124 HG SER 17 HG SER 17 -19.191 0.700 8.573 125 H LYS 18 H LYS 18 -16.197 3.657 5.690 126 HA LYS 18 HA LYS 18 -15.024 2.001 3.941 127 1HB LYS 18 1HB LYS 18 -14.690 4.870 4.638 128 2HB LYS 18 2HB LYS 18 -13.429 4.169 3.644 129 1HG LYS 18 1HG LYS 18 -16.424 4.074 3.045 130 2HG LYS 18 2HG LYS 18 -15.257 5.109 2.247 131 1HD LYS 18 1HD LYS 18 -14.653 3.450 0.821 132 2HD LYS 18 2HD LYS 18 -14.318 2.356 2.149 133 1HE LYS 18 1HE LYS 18 -17.203 2.883 1.412 134 2HE LYS 18 2HE LYS 18 -16.259 1.828 0.381 135 1HZ LYS 18 1HZ LYS 18 -16.740 1.492 3.256 136 2HZ LYS 18 2HZ LYS 18 -17.271 0.531 2.047 137 3HZ LYS 18 3HZ LYS 18 -15.680 0.581 2.413 138 HA PRO 19 HA PRO 19 -11.668 0.392 6.232 139 1HB PRO 19 1HB PRO 19 -10.952 -1.552 4.450 140 2HB PRO 19 2HB PRO 19 -12.192 -1.778 5.668 141 1HG PRO 19 1HG PRO 19 -12.506 -1.346 2.761 142 2HG PRO 19 2HG PRO 19 -13.667 -1.986 3.907 143 1HD PRO 19 1HD PRO 19 -13.637 0.655 2.787 144 2HD PRO 19 2HD PRO 19 -14.727 0.051 4.020 145 H ILE 20 H ILE 20 -9.271 -0.264 5.741 146 HA ILE 20 HA ILE 20 -8.321 1.833 3.914 147 HB ILE 20 HB ILE 20 -7.058 0.833 6.469 148 1HG1 ILE 20 1HG1 ILE 20 -7.538 3.559 6.699 149 2HG1 ILE 20 2HG1 ILE 20 -8.985 2.965 5.908 150 1HG2 ILE 20 1HG2 ILE 20 -5.152 1.561 5.580 151 2HG2 ILE 20 2HG2 ILE 20 -5.987 2.291 4.188 152 3HG2 ILE 20 3HG2 ILE 20 -5.827 3.203 5.708 153 1HD1 ILE 20 1HD1 ILE 20 -9.254 2.843 8.352 154 2HD1 ILE 20 2HD1 ILE 20 -9.218 1.199 7.669 155 3HD1 ILE 20 3HD1 ILE 20 -7.778 1.856 8.485 156 H TYR 21 H TYR 21 -7.172 1.146 2.186 157 HA TYR 21 HA TYR 21 -5.939 -1.515 2.390 158 1HB TYR 21 1HB TYR 21 -7.489 -0.152 0.099 159 2HB TYR 21 2HB TYR 21 -6.673 -1.694 -0.070 160 HD1 TYR 21 1HD TYR 21 -9.664 -1.038 -0.509 161 HD2 TYR 21 2HD TYR 21 -7.507 -2.650 2.816 162 HE1 TYR 21 1HE TYR 21 -11.762 -2.239 0.279 163 HE2 TYR 21 2HE TYR 21 -9.612 -3.845 3.593 164 HH TYR 21 HH TYR 21 -11.645 -4.596 2.812 165 H VAL 22 H VAL 22 -3.870 -1.690 1.566 166 HA VAL 22 HA VAL 22 -2.813 0.760 0.333 167 HB VAL 22 HB VAL 22 -1.373 -1.292 2.024 168 1HG1 VAL 22 1HG1 VAL 22 0.079 -0.198 0.379 169 2HG1 VAL 22 2HG1 VAL 22 -0.462 1.399 0.948 170 3HG1 VAL 22 3HG1 VAL 22 0.470 0.337 2.031 171 1HG2 VAL 22 1HG2 VAL 22 -1.963 1.542 2.869 172 2HG2 VAL 22 2HG2 VAL 22 -3.138 0.236 3.155 173 3HG2 VAL 22 3HG2 VAL 22 -1.509 0.140 3.866 174 H ALA 23 H ALA 23 -1.316 0.507 -1.427 175 HA ALA 23 HA ALA 23 -1.589 -2.118 -2.720 176 1HB ALA 23 1HB ALA 23 -1.321 -0.883 -4.830 177 2HB ALA 23 2HB ALA 23 -2.672 -0.214 -3.884 178 3HB ALA 23 3HB ALA 23 -1.109 0.637 -3.929 179 H ILE 24 H ILE 24 0.247 -3.238 -3.330 180 HA ILE 24 HA ILE 24 2.788 -1.866 -3.287 181 HB ILE 24 HB ILE 24 2.460 -4.271 -1.515 182 1HG1 ILE 24 1HG1 ILE 24 2.259 -1.370 -0.652 183 2HG1 ILE 24 2HG1 ILE 24 0.930 -2.511 -0.695 184 1HG2 ILE 24 1HG2 ILE 24 4.526 -2.101 -1.275 185 2HG2 ILE 24 2HG2 ILE 24 4.593 -3.798 -0.744 186 3HG2 ILE 24 3HG2 ILE 24 4.709 -3.402 -2.475 187 1HD1 ILE 24 1HD1 ILE 24 2.025 -2.237 1.585 188 2HD1 ILE 24 2HD1 ILE 24 1.958 -3.915 0.996 189 3HD1 ILE 24 3HD1 ILE 24 3.482 -2.999 0.902 190 H LYS 25 H LYS 25 3.605 -2.423 -5.230 191 HA LYS 25 HA LYS 25 4.336 -3.688 -6.890 192 1HB LYS 25 1HB LYS 25 3.704 -5.982 -5.015 193 2HB LYS 25 2HB LYS 25 4.451 -6.194 -6.586 194 1HG LYS 25 1HG LYS 25 5.591 -4.308 -4.478 195 2HG LYS 25 2HG LYS 25 6.051 -5.996 -4.573 196 1HD LYS 25 1HD LYS 25 6.282 -4.069 -6.930 197 2HD LYS 25 2HD LYS 25 7.594 -4.370 -5.807 198 1HE LYS 25 1HE LYS 25 6.200 -6.619 -7.325 199 2HE LYS 25 2HE LYS 25 7.593 -5.774 -7.972 200 1HZ LYS 25 1HZ LYS 25 8.256 -6.445 -5.407 201 2HZ LYS 25 2HZ LYS 25 7.514 -7.772 -6.004 202 3HZ LYS 25 3HZ LYS 25 8.809 -7.143 -6.775 203 H GLY 26 H GLY 26 1.318 -3.052 -6.109 204 1HA GLY 26 1HA GLY 26 -0.383 -2.945 -7.708 205 2HA GLY 26 2HA GLY 26 0.253 -4.370 -8.504 206 H ARG 27 H ARG 27 0.272 -4.664 -5.054 207 HA ARG 27 HA ARG 27 -2.162 -6.246 -5.260 208 1HB ARG 27 1HB ARG 27 0.225 -7.274 -4.658 209 2HB ARG 27 2HB ARG 27 -0.104 -6.628 -3.062 210 1HG ARG 27 1HG ARG 27 -2.342 -7.861 -3.112 211 2HG ARG 27 2HG ARG 27 -1.829 -8.617 -4.608 212 1HD ARG 27 1HD ARG 27 0.212 -8.812 -2.470 213 2HD ARG 27 2HD ARG 27 -1.302 -9.579 -2.035 214 HE ARG 27 HE ARG 27 -0.781 -10.421 -4.664 215 1HH1 ARG 27 2HH2 ARG 27 0.839 -10.646 -1.548 216 2HH1 ARG 27 1HH2 ARG 27 1.631 -12.140 -1.924 217 1HH2 ARG 27 2HH1 ARG 27 0.263 -12.393 -5.160 218 2HH2 ARG 27 1HH1 ARG 27 1.301 -13.140 -3.992 219 H VAL 28 H VAL 28 -3.876 -5.718 -3.896 220 HA VAL 28 HA VAL 28 -3.486 -3.417 -2.182 221 HB VAL 28 HB VAL 28 -5.920 -4.977 -3.063 222 1HG1 VAL 28 1HG1 VAL 28 -6.616 -2.406 -2.045 223 2HG1 VAL 28 2HG1 VAL 28 -7.096 -4.008 -1.437 224 3HG1 VAL 28 3HG1 VAL 28 -5.621 -3.227 -0.819 225 1HG2 VAL 28 1HG2 VAL 28 -4.415 -2.708 -4.161 226 2HG2 VAL 28 2HG2 VAL 28 -5.604 -3.781 -4.938 227 3HG2 VAL 28 3HG2 VAL 28 -6.156 -2.384 -3.982 228 H PHE 29 H PHE 29 -3.112 -3.557 -0.032 229 HA PHE 29 HA PHE 29 -3.746 -6.132 1.230 230 1HB PHE 29 1HB PHE 29 -1.578 -3.996 1.653 231 2HB PHE 29 2HB PHE 29 -1.860 -5.259 2.835 232 HD1 PHE 29 1HD PHE 29 0.131 -4.354 0.159 233 HD2 PHE 29 2HD PHE 29 -1.939 -7.719 1.706 234 HE1 PHE 29 1HE PHE 29 1.668 -5.881 -1.107 235 HE2 PHE 29 2HE PHE 29 -0.402 -9.247 0.440 236 HZ PHE 29 HZ PHE 29 1.383 -8.310 -0.952 237 H ASP 30 H ASP 30 -4.374 -6.036 3.540 238 HA ASP 30 HA ASP 30 -5.950 -3.649 3.977 239 1HB ASP 30 1HB ASP 30 -7.384 -5.434 4.337 240 2HB ASP 30 2HB ASP 30 -6.090 -6.517 4.807 241 H VAL 31 H VAL 31 -5.371 -2.198 5.626 242 HA VAL 31 HA VAL 31 -3.485 -3.169 7.649 243 HB VAL 31 HB VAL 31 -2.206 -1.142 7.470 244 1HG1 VAL 31 1HG1 VAL 31 -2.082 -3.204 5.718 245 2HG1 VAL 31 2HG1 VAL 31 -2.307 -1.847 4.588 246 3HG1 VAL 31 3HG1 VAL 31 -0.938 -1.841 5.725 247 1HG2 VAL 31 1HG2 VAL 31 -3.587 0.602 6.860 248 2HG2 VAL 31 2HG2 VAL 31 -2.731 0.308 5.328 249 3HG2 VAL 31 3HG2 VAL 31 -4.377 -0.327 5.564 250 H THR 32 H THR 32 -6.545 -2.294 7.105 251 HA THR 32 HA THR 32 -7.103 -0.080 8.648 252 HB THR 32 HB THR 32 -8.997 -0.854 7.565 253 HG1 THR 32 1HG THR 32 -9.006 -2.660 9.870 254 1HG2 THR 32 1HG2 THR 32 -8.340 -2.851 6.486 255 2HG2 THR 32 2HG2 THR 32 -7.738 -3.579 7.994 256 3HG2 THR 32 3HG2 THR 32 -9.489 -3.476 7.693 257 H THR 33 H THR 33 -5.951 -3.246 9.649 258 HA THR 33 HA THR 33 -6.895 -3.308 12.254 259 HB THR 33 HB THR 33 -5.835 -5.260 11.377 260 HG1 THR 33 1HG THR 33 -3.737 -3.893 12.893 261 1HG2 THR 33 1HG2 THR 33 -3.097 -4.599 11.048 262 2HG2 THR 33 2HG2 THR 33 -4.243 -5.016 9.751 263 3HG2 THR 33 3HG2 THR 33 -3.982 -3.312 10.193 264 H GLY 34 H GLY 34 -4.989 -0.900 10.808 265 1HA GLY 34 1HA GLY 34 -4.398 0.205 13.447 266 2HA GLY 34 2HA GLY 34 -3.037 -0.090 12.384 267 H LYS 35 H LYS 35 -6.419 1.047 11.695 268 HA LYS 35 HA LYS 35 -5.765 2.789 9.704 269 1HB LYS 35 1HB LYS 35 -7.953 3.362 9.754 270 2HB LYS 35 2HB LYS 35 -8.059 1.976 10.821 271 1HG LYS 35 1HG LYS 35 -7.791 3.491 12.803 272 2HG LYS 35 2HG LYS 35 -7.708 4.873 11.729 273 1HD LYS 35 1HD LYS 35 -9.970 5.003 11.831 274 2HD LYS 35 2HD LYS 35 -10.045 3.510 10.917 275 1HE LYS 35 1HE LYS 35 -9.481 2.667 13.553 276 2HE LYS 35 2HE LYS 35 -10.623 3.980 13.764 277 1HZ LYS 35 1HZ LYS 35 -12.233 2.822 12.756 278 2HZ LYS 35 2HZ LYS 35 -11.246 2.104 11.671 279 3HZ LYS 35 3HZ LYS 35 -11.346 1.523 13.194 280 H SER 36 H SER 36 -5.160 3.062 13.147 281 HA SER 36 HA SER 36 -5.050 5.817 13.334 282 1HB SER 36 1HB SER 36 -4.197 3.488 14.913 283 2HB SER 36 2HB SER 36 -3.090 4.834 15.096 284 HG SER 36 HG SER 36 -5.840 5.495 15.214 285 H PHE 37 H PHE 37 -3.053 3.565 11.624 286 HA PHE 37 HA PHE 37 -0.848 5.495 11.551 287 1HB PHE 37 1HB PHE 37 -1.011 2.575 10.603 288 2HB PHE 37 2HB PHE 37 0.458 3.510 10.802 289 HD1 PHE 37 1HD PHE 37 0.474 4.622 13.363 290 HD2 PHE 37 2HD PHE 37 -1.248 0.928 12.182 291 HE1 PHE 37 1HE PHE 37 0.701 3.766 15.711 292 HE2 PHE 37 2HE PHE 37 -1.021 0.071 14.531 293 HZ PHE 37 HZ PHE 37 -0.049 1.500 16.267 294 H TYR 38 H TYR 38 -3.019 3.425 9.536 295 HA TYR 38 HA TYR 38 -2.060 4.821 7.156 296 1HB TYR 38 1HB TYR 38 -3.435 2.260 7.959 297 2HB TYR 38 2HB TYR 38 -4.013 2.941 6.452 298 HD1 TYR 38 1HD TYR 38 -2.095 3.638 4.734 299 HD2 TYR 38 2HD TYR 38 -1.624 0.800 7.901 300 HE1 TYR 38 1HE TYR 38 -0.125 2.592 3.514 301 HE2 TYR 38 2HE TYR 38 0.344 -0.237 6.670 302 HH TYR 38 HH TYR 38 2.029 1.187 4.447 303 H GLY 39 H GLY 39 -4.959 4.323 9.210 304 1HA GLY 39 1HA GLY 39 -6.898 5.418 7.554 305 2HA GLY 39 2HA GLY 39 -6.916 5.421 9.307 306 H SER 40 H SER 40 -6.992 7.401 10.268 307 HA SER 40 HA SER 40 -6.892 9.716 8.793 308 1HB SER 40 1HB SER 40 -7.408 10.780 10.782 309 2HB SER 40 2HB SER 40 -7.804 9.133 11.231 310 HG SER 40 HG SER 40 -6.031 10.761 12.412 311 H GLY 41 H GLY 41 -5.198 11.327 10.732 312 1HA GLY 41 1HA GLY 41 -2.805 11.359 9.250 313 2HA GLY 41 2HA GLY 41 -3.125 12.196 10.757 314 H GLY 42 H GLY 42 -2.558 8.809 9.548 315 1HA GLY 42 1HA GLY 42 -1.355 8.076 12.092 316 2HA GLY 42 2HA GLY 42 -1.683 7.036 10.721 317 H ASP 43 H ASP 43 0.284 6.124 10.211 318 HA ASP 43 HA ASP 43 2.537 7.952 10.053 319 1HB ASP 43 1HB ASP 43 2.174 5.101 10.756 320 2HB ASP 43 2HB ASP 43 3.490 5.347 9.625 321 H TYR 44 H TYR 44 0.324 5.855 8.266 322 HA TYR 44 HA TYR 44 1.950 6.185 5.837 323 1HB TYR 44 1HB TYR 44 -0.453 4.340 6.205 324 2HB TYR 44 2HB TYR 44 0.942 4.093 5.172 325 HD1 TYR 44 1HD TYR 44 -0.627 2.945 8.043 326 HD2 TYR 44 2HD TYR 44 3.270 3.973 6.605 327 HE1 TYR 44 1HE TYR 44 0.427 1.453 9.811 328 HE2 TYR 44 2HE TYR 44 4.311 2.478 8.379 329 HH TYR 44 HH TYR 44 3.609 1.641 10.662 330 H SER 45 H SER 45 0.354 8.364 6.880 331 HA SER 45 HA SER 45 -2.190 8.423 5.843 332 1HB SER 45 1HB SER 45 -2.185 10.682 6.422 333 2HB SER 45 2HB SER 45 -0.882 10.077 7.425 334 HG SER 45 HG SER 45 0.074 11.801 6.462 335 H MET 46 H MET 46 0.998 8.894 4.334 336 HA MET 46 HA MET 46 -0.131 10.025 1.968 337 1HB MET 46 1HB MET 46 2.314 9.694 1.165 338 2HB MET 46 2HB MET 46 2.105 10.739 2.556 339 1HG MET 46 1HG MET 46 2.452 7.843 3.206 340 2HG MET 46 2HG MET 46 3.849 8.606 2.473 341 1HE MET 46 1HE MET 46 4.406 11.703 4.661 342 2HE MET 46 2HE MET 46 3.985 11.228 2.998 343 3HE MET 46 3HE MET 46 2.723 11.833 4.098 344 H PHE 47 H PHE 47 0.799 6.828 3.197 345 HA PHE 47 HA PHE 47 0.803 5.617 0.603 346 1HB PHE 47 1HB PHE 47 0.544 4.391 3.410 347 2HB PHE 47 2HB PHE 47 1.148 3.575 1.981 348 HD1 PHE 47 1HD PHE 47 2.672 3.566 4.473 349 HD2 PHE 47 2HD PHE 47 2.667 6.402 1.316 350 HE1 PHE 47 1HE PHE 47 5.012 4.242 5.077 351 HE2 PHE 47 2HE PHE 47 5.008 7.078 1.920 352 HZ PHE 47 HZ PHE 47 6.153 5.990 3.793 353 H ALA 48 H ALA 48 -1.505 6.145 3.274 354 HA ALA 48 HA ALA 48 -3.382 4.260 2.859 355 1HB ALA 48 1HB ALA 48 -4.984 5.891 3.720 356 2HB ALA 48 2HB ALA 48 -3.424 6.094 4.553 357 3HB ALA 48 3HB ALA 48 -3.903 7.232 3.271 358 H GLY 49 H GLY 49 -4.319 3.477 1.044 359 1HA GLY 49 1HA GLY 49 -5.315 3.406 -0.969 360 2HA GLY 49 2HA GLY 49 -5.792 5.074 -0.724 361 H LYS 50 H LYS 50 -2.416 3.809 -0.821 362 HA LYS 50 HA LYS 50 -2.047 4.765 -3.508 363 1HB LYS 50 1HB LYS 50 -0.657 6.163 -1.203 364 2HB LYS 50 2HB LYS 50 -0.275 6.380 -2.899 365 1HG LYS 50 1HG LYS 50 -2.735 7.045 -3.255 366 2HG LYS 50 2HG LYS 50 -2.907 7.056 -1.511 367 1HD LYS 50 1HD LYS 50 -2.085 9.166 -1.467 368 2HD LYS 50 2HD LYS 50 -0.547 8.558 -2.048 369 1HE LYS 50 1HE LYS 50 -1.752 8.620 -4.427 370 2HE LYS 50 2HE LYS 50 -2.833 9.750 -3.636 371 1HZ LYS 50 1HZ LYS 50 0.060 10.004 -3.999 372 2HZ LYS 50 2HZ LYS 50 -1.115 11.015 -4.513 373 3HZ LYS 50 3HZ LYS 50 -0.750 10.927 -2.923 374 H ASP 51 H ASP 51 -0.174 3.877 -4.477 375 HA ASP 51 HA ASP 51 0.712 1.536 -3.169 376 1HB ASP 51 1HB ASP 51 0.372 1.716 -5.644 377 2HB ASP 51 2HB ASP 51 1.672 2.887 -5.737 378 H ALA 52 H ALA 52 1.765 2.582 -1.244 379 HA ALA 52 HA ALA 52 3.970 4.347 -1.668 380 1HB ALA 52 1HB ALA 52 2.907 2.844 0.754 381 2HB ALA 52 2HB ALA 52 4.246 4.015 0.815 382 3HB ALA 52 3HB ALA 52 2.619 4.548 0.331 383 H SER 53 H SER 53 4.706 2.505 -3.366 384 HA SER 53 HA SER 53 5.988 0.292 -2.189 385 1HB SER 53 1HB SER 53 5.882 1.533 -4.936 386 2HB SER 53 2HB SER 53 7.138 0.355 -4.607 387 HG SER 53 HG SER 53 4.873 -0.350 -5.444 388 H ARG 54 H ARG 54 7.167 3.373 -3.727 389 HA ARG 54 HA ARG 54 9.830 2.898 -3.202 390 1HB ARG 54 1HB ARG 54 8.444 5.622 -3.357 391 2HB ARG 54 2HB ARG 54 10.140 5.308 -3.669 392 1HG ARG 54 1HG ARG 54 9.123 3.562 -5.452 393 2HG ARG 54 2HG ARG 54 7.739 4.633 -5.364 394 1HD ARG 54 1HD ARG 54 10.339 6.058 -5.610 395 2HD ARG 54 2HD ARG 54 9.963 5.035 -6.982 396 HE ARG 54 HE ARG 54 7.586 6.345 -6.613 397 1HH1 ARG 54 2HH2 ARG 54 10.902 7.505 -6.816 398 2HH1 ARG 54 1HH2 ARG 54 10.458 9.043 -7.478 399 1HH2 ARG 54 2HH1 ARG 54 7.000 8.373 -7.487 400 2HH2 ARG 54 1HH1 ARG 54 8.224 9.540 -7.862 401 H ALA 55 H ALA 55 7.295 4.718 -1.356 402 HA ALA 55 HA ALA 55 8.963 5.660 0.665 403 1HB ALA 55 1HB ALA 55 7.025 6.626 1.264 404 2HB ALA 55 2HB ALA 55 6.223 5.716 -0.039 405 3HB ALA 55 3HB ALA 55 6.290 5.041 1.607 406 H LEU 56 H LEU 56 7.341 2.515 0.132 407 HA LEU 56 HA LEU 56 7.854 1.563 2.758 408 1HB LEU 56 1HB LEU 56 6.820 0.462 0.194 409 2HB LEU 56 2HB LEU 56 7.446 -0.677 1.370 410 HG LEU 56 HG LEU 56 5.151 1.262 1.727 411 1HD1 LEU 56 1HD1 LEU 56 5.095 -1.730 2.083 412 2HD1 LEU 56 2HD1 LEU 56 3.745 -0.602 1.814 413 3HD1 LEU 56 3HD1 LEU 56 4.875 -0.971 0.488 414 1HD2 LEU 56 1HD2 LEU 56 6.761 -0.221 3.768 415 2HD2 LEU 56 2HD2 LEU 56 6.034 1.402 3.838 416 3HD2 LEU 56 3HD2 LEU 56 5.006 -0.042 4.009 417 H GLY 57 H GLY 57 9.466 1.232 -0.459 418 1HA GLY 57 1HA GLY 57 11.453 -0.569 0.291 419 2HA GLY 57 2HA GLY 57 11.551 0.602 -1.009 420 H LYS 58 H LYS 58 12.192 2.886 -0.443 421 HA LYS 58 HA LYS 58 14.520 2.907 1.053 422 1HB LYS 58 1HB LYS 58 12.798 5.305 0.373 423 2HB LYS 58 2HB LYS 58 14.521 5.290 0.688 424 1HG LYS 58 1HG LYS 58 14.869 4.957 -1.526 425 2HG LYS 58 2HG LYS 58 14.160 3.364 -1.356 426 1HD LYS 58 1HD LYS 58 12.260 3.983 -2.448 427 2HD LYS 58 2HD LYS 58 12.075 5.423 -1.467 428 1HE LYS 58 1HE LYS 58 14.240 5.402 -3.575 429 2HE LYS 58 2HE LYS 58 12.577 5.587 -4.097 430 1HZ LYS 58 1HZ LYS 58 13.580 7.701 -3.646 431 2HZ LYS 58 2HZ LYS 58 12.376 7.443 -2.575 432 3HZ LYS 58 3HZ LYS 58 13.932 7.276 -2.109 433 H MET 59 H MET 59 11.202 2.959 2.062 434 HA MET 59 HA MET 59 10.346 2.888 4.074 435 1HB MET 59 1HB MET 59 13.058 3.574 5.309 436 2HB MET 59 2HB MET 59 11.743 2.689 6.057 437 1HG MET 59 1HG MET 59 12.109 0.977 4.059 438 2HG MET 59 2HG MET 59 13.678 1.746 3.920 439 1HE MET 59 1HE MET 59 11.195 -0.098 5.667 440 2HE MET 59 2HE MET 59 12.226 -1.452 6.190 441 3HE MET 59 3HE MET 59 11.692 -0.232 7.371 442 H SER 60 H SER 60 10.695 5.342 2.429 443 HA SER 60 HA SER 60 10.905 7.366 4.490 444 1HB SER 60 1HB SER 60 11.903 7.323 1.949 445 2HB SER 60 2HB SER 60 10.376 8.128 1.646 446 HG SER 60 HG SER 60 11.859 9.749 2.140 447 H LYS 61 H LYS 61 9.215 9.206 4.367 448 HA LYS 61 HA LYS 61 6.591 7.995 3.844 449 1HB LYS 61 1HB LYS 61 7.466 10.021 5.919 450 2HB LYS 61 2HB LYS 61 5.788 9.658 5.571 451 1HG LYS 61 1HG LYS 61 5.976 7.411 6.337 452 2HG LYS 61 2HG LYS 61 7.722 7.403 6.187 453 1HD LYS 61 1HD LYS 61 7.182 7.564 8.552 454 2HD LYS 61 2HD LYS 61 7.857 9.103 8.052 455 1HE LYS 61 1HE LYS 61 4.861 8.747 7.896 456 2HE LYS 61 2HE LYS 61 5.584 8.971 9.476 457 1HZ LYS 61 1HZ LYS 61 6.421 11.027 8.849 458 2HZ LYS 61 2HZ LYS 61 6.210 10.766 7.251 459 3HZ LYS 61 3HZ LYS 61 4.916 11.018 8.215 460 H ASN 62 H ASN 62 8.140 9.113 1.721 461 HA ASN 62 HA ASN 62 7.290 11.803 1.387 462 1HB ASN 62 1HB ASN 62 8.912 9.791 -0.145 463 2HB ASN 62 2HB ASN 62 8.124 11.019 -1.116 464 1HD2 ASN 62 1HD2 ASN 62 8.323 13.296 -0.262 465 2HD2 ASN 62 2HD2 ASN 62 9.875 13.802 0.317 466 H GLU 63 H GLU 63 5.412 12.476 0.285 467 HA GLU 63 HA GLU 63 3.510 10.498 -0.346 468 1HB GLU 63 1HB GLU 63 3.242 13.000 0.496 469 2HB GLU 63 2HB GLU 63 3.248 13.382 -1.215 470 1HG GLU 63 1HG GLU 63 1.503 11.133 -0.900 471 2HG GLU 63 2HG GLU 63 1.103 12.249 0.390 472 H GLU 64 H GLU 64 6.088 12.055 -2.089 473 HA GLU 64 HA GLU 64 4.830 11.572 -4.635 474 1HB GLU 64 1HB GLU 64 7.689 12.498 -4.268 475 2HB GLU 64 2HB GLU 64 6.589 12.844 -5.587 476 1HG GLU 64 1HG GLU 64 5.942 13.786 -2.774 477 2HG GLU 64 2HG GLU 64 7.048 14.703 -3.777 478 H ASP 65 H ASP 65 6.975 10.029 -2.352 479 HA ASP 65 HA ASP 65 8.490 8.527 -4.117 480 1HB ASP 65 1HB ASP 65 7.826 8.531 -1.235 481 2HB ASP 65 2HB ASP 65 8.127 6.917 -1.846 482 H VAL 66 H VAL 66 5.394 7.872 -2.323 483 HA VAL 66 HA VAL 66 4.963 5.280 -3.051 484 HB VAL 66 HB VAL 66 3.440 6.017 -1.554 485 1HG1 VAL 66 1HG1 VAL 66 3.698 8.256 -1.248 486 2HG1 VAL 66 2HG1 VAL 66 3.691 8.610 -2.992 487 3HG1 VAL 66 3HG1 VAL 66 2.158 8.313 -2.137 488 1HG2 VAL 66 1HG2 VAL 66 1.514 6.856 -3.616 489 2HG2 VAL 66 2HG2 VAL 66 2.346 5.325 -3.979 490 3HG2 VAL 66 3HG2 VAL 66 1.443 5.507 -2.456 491 H SER 67 H SER 67 4.890 4.271 -4.985 492 HA SER 67 HA SER 67 3.783 5.819 -7.192 493 1HB SER 67 1HB SER 67 6.458 4.818 -6.929 494 2HB SER 67 2HB SER 67 5.670 3.847 -8.157 495 HG SER 67 HG SER 67 6.658 5.749 -9.073 496 HA PRO 68 HA PRO 68 1.277 2.224 -7.361 497 1HB PRO 68 1HB PRO 68 -0.375 3.012 -9.390 498 2HB PRO 68 2HB PRO 68 -0.628 3.467 -7.717 499 1HG PRO 68 1HG PRO 68 0.405 5.108 -9.949 500 2HG PRO 68 2HG PRO 68 -0.248 5.634 -8.410 501 1HD PRO 68 1HD PRO 68 2.519 5.546 -9.160 502 2HD PRO 68 2HD PRO 68 1.872 5.961 -7.585 503 H SER 69 H SER 69 3.717 2.995 -9.284 504 HA SER 69 HA SER 69 3.337 0.520 -10.732 505 1HB SER 69 1HB SER 69 3.411 1.422 -12.828 506 2HB SER 69 2HB SER 69 2.831 2.870 -12.029 507 HG SER 69 HG SER 69 4.649 3.839 -12.576 508 H LEU 70 H LEU 70 5.344 -0.553 -11.239 509 HA LEU 70 HA LEU 70 7.497 0.246 -9.530 510 1HB LEU 70 1HB LEU 70 6.988 -2.070 -11.380 511 2HB LEU 70 2HB LEU 70 8.557 -1.820 -10.639 512 HG LEU 70 HG LEU 70 5.944 -2.219 -9.155 513 1HD1 LEU 70 1HD1 LEU 70 6.442 -4.421 -8.879 514 2HD1 LEU 70 2HD1 LEU 70 7.218 -4.159 -10.460 515 3HD1 LEU 70 3HD1 LEU 70 8.200 -4.157 -8.976 516 1HD2 LEU 70 1HD2 LEU 70 7.378 -2.404 -7.139 517 2HD2 LEU 70 2HD2 LEU 70 8.769 -1.875 -8.116 518 3HD2 LEU 70 3HD2 LEU 70 7.387 -0.780 -7.869 519 H GLU 71 H GLU 71 7.175 2.400 -11.103 520 HA GLU 71 HA GLU 71 9.152 2.064 -13.214 521 1HB GLU 71 1HB GLU 71 6.789 3.885 -12.841 522 2HB GLU 71 2HB GLU 71 8.158 4.518 -13.733 523 1HG GLU 71 1HG GLU 71 7.203 1.754 -14.453 524 2HG GLU 71 2HG GLU 71 6.190 3.102 -14.929 525 H GLY 72 H GLY 72 10.353 2.021 -10.803 526 1HA GLY 72 1HA GLY 72 12.210 4.008 -10.801 527 2HA GLY 72 2HA GLY 72 10.931 4.651 -9.790 528 H LEU 73 H LEU 73 10.102 1.805 -8.976 529 HA LEU 73 HA LEU 73 11.413 1.679 -6.576 530 1HB LEU 73 1HB LEU 73 9.731 -0.139 -8.199 531 2HB LEU 73 2HB LEU 73 10.679 -0.893 -6.932 532 HG LEU 73 HG LEU 73 8.434 -0.369 -6.157 533 1HD1 LEU 73 1HD1 LEU 73 10.455 1.454 -4.824 534 2HD1 LEU 73 2HD1 LEU 73 8.987 0.760 -4.095 535 3HD1 LEU 73 3HD1 LEU 73 10.334 -0.304 -4.569 536 1HD2 LEU 73 1HD2 LEU 73 7.696 1.436 -7.441 537 2HD2 LEU 73 2HD2 LEU 73 7.878 2.118 -5.807 538 3HD2 LEU 73 3HD2 LEU 73 9.120 2.428 -7.044 539 H THR 74 H THR 74 13.651 1.893 -6.632 540 HA THR 74 HA THR 74 15.224 0.257 -8.381 541 HB THR 74 HB THR 74 17.063 1.491 -7.378 542 HG1 THR 74 1HG THR 74 16.284 2.809 -5.374 543 1HG2 THR 74 1HG2 THR 74 16.401 3.769 -7.627 544 2HG2 THR 74 2HG2 THR 74 15.229 2.899 -8.647 545 3HG2 THR 74 3HG2 THR 74 14.759 3.446 -7.020 546 H GLU 75 H GLU 75 17.295 -0.767 -7.061 547 HA GLU 75 HA GLU 75 16.176 -3.079 -5.975 548 1HB GLU 75 1HB GLU 75 18.801 -2.101 -6.755 549 2HB GLU 75 2HB GLU 75 18.922 -2.942 -5.222 550 1HG GLU 75 1HG GLU 75 17.225 -4.608 -6.688 551 2HG GLU 75 2HG GLU 75 18.325 -4.017 -7.918 552 H LYS 76 H LYS 76 17.779 -0.187 -4.532 553 HA LYS 76 HA LYS 76 18.016 -1.080 -1.944 554 1HB LYS 76 1HB LYS 76 18.518 1.088 -1.429 555 2HB LYS 76 2HB LYS 76 18.730 1.145 -3.167 556 1HG LYS 76 1HG LYS 76 16.512 2.113 -3.486 557 2HG LYS 76 2HG LYS 76 16.088 1.840 -1.808 558 1HD LYS 76 1HD LYS 76 16.740 4.027 -1.554 559 2HD LYS 76 2HD LYS 76 18.346 3.332 -1.449 560 1HE LYS 76 1HE LYS 76 18.744 3.730 -3.839 561 2HE LYS 76 2HE LYS 76 17.084 4.237 -4.079 562 1HZ LYS 76 1HZ LYS 76 17.657 6.255 -3.470 563 2HZ LYS 76 2HZ LYS 76 18.208 5.743 -2.021 564 3HZ LYS 76 3HZ LYS 76 19.215 5.795 -3.305 565 H GLU 77 H GLU 77 15.206 0.606 -3.503 566 HA GLU 77 HA GLU 77 13.651 0.295 -1.161 567 1HB GLU 77 1HB GLU 77 11.777 0.993 -2.883 568 2HB GLU 77 2HB GLU 77 12.993 2.158 -2.398 569 1HG GLU 77 1HG GLU 77 14.065 0.650 -4.612 570 2HG GLU 77 2HG GLU 77 12.440 1.144 -5.045 571 H ILE 78 H ILE 78 13.978 -1.398 -4.317 572 HA ILE 78 HA ILE 78 11.757 -3.021 -4.159 573 HB ILE 78 HB ILE 78 14.439 -3.223 -5.464 574 1HG1 ILE 78 1HG1 ILE 78 12.066 -1.990 -6.137 575 2HG1 ILE 78 2HG1 ILE 78 13.381 -2.367 -7.232 576 1HG2 ILE 78 1HG2 ILE 78 12.326 -5.390 -5.615 577 2HG2 ILE 78 2HG2 ILE 78 13.858 -5.321 -6.518 578 3HG2 ILE 78 3HG2 ILE 78 13.875 -5.521 -4.749 579 1HD1 ILE 78 1HD1 ILE 78 11.008 -4.191 -6.625 580 2HD1 ILE 78 2HD1 ILE 78 11.237 -3.235 -8.109 581 3HD1 ILE 78 3HD1 ILE 78 12.344 -4.578 -7.735 582 H ASN 79 H ASN 79 15.074 -3.495 -2.797 583 HA ASN 79 HA ASN 79 14.803 -6.008 -1.877 584 1HB ASN 79 1HB ASN 79 16.392 -3.618 -1.158 585 2HB ASN 79 2HB ASN 79 16.133 -4.665 0.224 586 1HD2 ASN 79 1HD2 ASN 79 18.211 -3.992 -2.143 587 2HD2 ASN 79 2HD2 ASN 79 18.974 -5.523 -2.411 588 H THR 80 H THR 80 13.953 -2.899 -0.175 589 HA THR 80 HA THR 80 12.702 -4.319 1.998 590 HB THR 80 HB THR 80 13.011 -1.372 1.228 591 HG1 THR 80 1HG THR 80 14.885 -1.773 2.336 592 1HG2 THR 80 1HG2 THR 80 11.077 -1.447 2.698 593 2HG2 THR 80 2HG2 THR 80 11.819 -2.715 3.704 594 3HG2 THR 80 3HG2 THR 80 12.474 -1.060 3.731 595 H LEU 81 H LEU 81 11.634 -2.318 -0.811 596 HA LEU 81 HA LEU 81 8.931 -2.364 -0.191 597 1HB LEU 81 1HB LEU 81 9.644 -0.825 -1.778 598 2HB LEU 81 2HB LEU 81 10.518 -2.024 -2.710 599 HG LEU 81 HG LEU 81 8.338 -1.069 -3.674 600 1HD1 LEU 81 1HD1 LEU 81 9.624 -3.544 -3.950 601 2HD1 LEU 81 2HD1 LEU 81 7.885 -3.917 -3.882 602 3HD1 LEU 81 3HD1 LEU 81 8.502 -2.768 -5.093 603 1HD2 LEU 81 1HD2 LEU 81 6.309 -1.598 -2.830 604 2HD2 LEU 81 2HD2 LEU 81 6.845 -3.184 -2.226 605 3HD2 LEU 81 3HD2 LEU 81 7.229 -1.707 -1.310 606 H ASN 82 H ASN 82 10.803 -4.538 -2.426 607 HA ASN 82 HA ASN 82 8.758 -6.178 -3.086 608 1HB ASN 82 1HB ASN 82 11.270 -6.166 -3.842 609 2HB ASN 82 2HB ASN 82 11.560 -7.230 -2.480 610 1HD2 ASN 82 1HD2 ASN 82 10.633 -6.995 -5.693 611 2HD2 ASN 82 2HD2 ASN 82 10.042 -8.600 -5.964 612 H ASP 83 H ASP 83 10.882 -6.152 -0.173 613 HA ASP 83 HA ASP 83 9.902 -8.601 0.818 614 1HB ASP 83 1HB ASP 83 11.768 -6.464 1.654 615 2HB ASP 83 2HB ASP 83 10.893 -7.151 3.008 616 H TRP 84 H TRP 84 9.016 -5.161 0.993 617 HA TRP 84 HA TRP 84 7.499 -5.181 3.329 618 1HB TRP 84 1HB TRP 84 7.861 -3.448 0.988 619 2HB TRP 84 2HB TRP 84 6.263 -3.346 1.701 620 HD1 TRP 84 HD TRP 84 9.262 -1.472 1.954 621 HE1 TRP 84 1HE TRP 84 9.710 -0.309 4.280 622 HE3 TRP 84 3HE TRP 84 5.958 -4.295 4.594 623 HZ2 TRP 84 2HZ TRP 84 8.656 -0.692 6.904 624 HZ3 TRP 84 3HZ TRP 84 5.729 -3.836 7.034 625 HH2 TRP 84 HH TRP 84 7.011 -2.106 8.190 626 H GLU 85 H GLU 85 6.750 -5.999 -0.107 627 HA GLU 85 HA GLU 85 4.027 -6.309 0.248 628 1HB GLU 85 1HB GLU 85 4.534 -6.276 -1.993 629 2HB GLU 85 2HB GLU 85 6.064 -7.102 -1.774 630 1HG GLU 85 1HG GLU 85 3.425 -8.570 -1.410 631 2HG GLU 85 2HG GLU 85 4.139 -8.377 -2.999 632 H THR 86 H THR 86 6.765 -8.652 0.538 633 HA THR 86 HA THR 86 5.123 -10.894 1.047 634 HB THR 86 HB THR 86 7.993 -10.144 0.990 635 HG1 THR 86 1HG THR 86 7.490 -11.646 -0.559 636 1HG2 THR 86 1HG2 THR 86 6.900 -12.082 3.048 637 2HG2 THR 86 2HG2 THR 86 8.385 -12.514 2.167 638 3HG2 THR 86 3HG2 THR 86 8.332 -11.031 3.151 639 H LYS 87 H LYS 87 6.485 -8.322 3.110 640 HA LYS 87 HA LYS 87 5.847 -9.695 5.524 641 1HB LYS 87 1HB LYS 87 6.543 -6.791 4.991 642 2HB LYS 87 2HB LYS 87 6.423 -7.526 6.577 643 1HG LYS 87 1HG LYS 87 8.338 -8.871 6.258 644 2HG LYS 87 2HG LYS 87 8.212 -8.822 4.510 645 1HD LYS 87 1HD LYS 87 8.929 -6.473 4.463 646 2HD LYS 87 2HD LYS 87 8.878 -6.376 6.212 647 1HE LYS 87 1HE LYS 87 10.634 -8.458 4.873 648 2HE LYS 87 2HE LYS 87 11.189 -6.800 4.991 649 1HZ LYS 87 1HZ LYS 87 10.788 -6.935 7.382 650 2HZ LYS 87 2HZ LYS 87 10.374 -8.509 7.238 651 3HZ LYS 87 3HZ LYS 87 11.894 -8.028 6.884 652 H PHE 88 H PHE 88 4.305 -7.163 3.475 653 HA PHE 88 HA PHE 88 2.158 -6.757 5.274 654 1HB PHE 88 1HB PHE 88 3.052 -6.037 2.494 655 2HB PHE 88 2HB PHE 88 1.313 -6.011 2.713 656 HD1 PHE 88 1HD PHE 88 0.779 -3.745 2.679 657 HD2 PHE 88 2HD PHE 88 3.964 -5.071 5.151 658 HE1 PHE 88 1HE PHE 88 0.941 -1.457 3.698 659 HE2 PHE 88 2HE PHE 88 4.125 -2.783 6.170 660 HZ PHE 88 HZ PHE 88 2.612 -1.003 5.431 661 H GLU 89 H GLU 89 2.660 -8.766 2.316 662 HA GLU 89 HA GLU 89 -0.023 -9.617 2.258 663 1HB GLU 89 1HB GLU 89 0.596 -10.850 0.371 664 2HB GLU 89 2HB GLU 89 1.804 -9.581 0.368 665 1HG GLU 89 1HG GLU 89 3.322 -11.284 0.271 666 2HG GLU 89 2HG GLU 89 3.026 -11.454 1.990 667 H ALA 90 H ALA 90 2.759 -10.469 4.157 668 HA ALA 90 HA ALA 90 1.696 -13.114 4.762 669 1HB ALA 90 1HB ALA 90 4.086 -12.951 4.329 670 2HB ALA 90 2HB ALA 90 4.255 -11.663 5.547 671 3HB ALA 90 3HB ALA 90 3.834 -13.317 6.053 672 H LYS 91 H LYS 91 1.486 -9.839 5.802 673 HA LYS 91 HA LYS 91 0.611 -10.745 8.457 674 1HB LYS 91 1HB LYS 91 2.063 -8.270 7.559 675 2HB LYS 91 2HB LYS 91 1.038 -8.209 8.978 676 1HG LYS 91 1HG LYS 91 2.646 -10.616 9.115 677 2HG LYS 91 2HG LYS 91 3.704 -9.263 8.763 678 1HD LYS 91 1HD LYS 91 1.638 -8.773 10.874 679 2HD LYS 91 2HD LYS 91 2.883 -9.933 11.290 680 1HE LYS 91 1HE LYS 91 4.631 -8.342 11.078 681 2HE LYS 91 2HE LYS 91 3.682 -7.284 10.053 682 1HZ LYS 91 1HZ LYS 91 3.454 -6.216 11.996 683 2HZ LYS 91 2HZ LYS 91 2.206 -7.247 12.210 684 3HZ LYS 91 3HZ LYS 91 3.644 -7.546 12.924 685 H TYR 92 H TYR 92 0.093 -7.869 6.295 686 HA TYR 92 HA TYR 92 -2.583 -7.581 7.141 687 1HB TYR 92 1HB TYR 92 -0.815 -6.633 4.815 688 2HB TYR 92 2HB TYR 92 -2.481 -6.103 4.933 689 HD1 TYR 92 1HD TYR 92 0.379 -4.631 5.160 690 HD2 TYR 92 2HD TYR 92 -2.691 -5.749 7.922 691 HE1 TYR 92 1HE TYR 92 1.083 -2.747 6.717 692 HE2 TYR 92 2HE TYR 92 -1.977 -3.862 9.469 693 HH TYR 92 HH TYR 92 0.932 -2.037 8.861 694 HA PRO 93 HA PRO 93 -4.536 -10.377 4.466 695 1HB PRO 93 1HB PRO 93 -7.115 -9.501 4.686 696 2HB PRO 93 2HB PRO 93 -6.354 -10.548 5.868 697 1HG PRO 93 1HG PRO 93 -6.952 -7.659 6.063 698 2HG PRO 93 2HG PRO 93 -6.596 -8.796 7.349 699 1HD PRO 93 1HD PRO 93 -4.814 -6.835 6.251 700 2HD PRO 93 2HD PRO 93 -4.425 -8.048 7.454 701 H VAL 94 H VAL 94 -4.897 -10.702 2.327 702 HA VAL 94 HA VAL 94 -4.796 -8.247 0.789 703 HB VAL 94 HB VAL 94 -4.725 -11.142 -0.084 704 1HG1 VAL 94 1HG1 VAL 94 -4.965 -8.725 -1.565 705 2HG1 VAL 94 2HG1 VAL 94 -3.316 -9.346 -1.822 706 3HG1 VAL 94 3HG1 VAL 94 -4.722 -10.378 -2.178 707 1HG2 VAL 94 1HG2 VAL 94 -2.822 -9.799 1.448 708 2HG2 VAL 94 2HG2 VAL 94 -2.565 -11.275 0.487 709 3HG2 VAL 94 3HG2 VAL 94 -2.203 -9.680 -0.217 710 H VAL 95 H VAL 95 -6.699 -7.216 0.443 711 HA VAL 95 HA VAL 95 -9.135 -8.770 0.357 712 HB VAL 95 HB VAL 95 -10.221 -6.598 0.296 713 1HG1 VAL 95 1HG1 VAL 95 -9.990 -6.919 2.511 714 2HG1 VAL 95 2HG1 VAL 95 -8.279 -7.386 2.362 715 3HG1 VAL 95 3HG1 VAL 95 -8.731 -5.665 2.413 716 1HG2 VAL 95 1HG2 VAL 95 -7.637 -5.120 0.563 717 2HG2 VAL 95 2HG2 VAL 95 -8.141 -5.633 -1.065 718 3HG2 VAL 95 3HG2 VAL 95 -9.202 -4.585 -0.094 719 H GLY 96 H GLY 96 -6.671 -7.875 -1.806 720 1HA GLY 96 1HA GLY 96 -7.672 -8.993 -4.045 721 2HA GLY 96 2HA GLY 96 -8.361 -7.382 -4.101 722 H ARG 97 H ARG 97 -6.805 -7.740 -6.176 723 HA ARG 97 HA ARG 97 -4.222 -6.658 -5.377 724 1HB ARG 97 1HB ARG 97 -3.240 -8.212 -6.720 725 2HB ARG 97 2HB ARG 97 -4.816 -8.932 -6.980 726 1HG ARG 97 1HG ARG 97 -4.467 -8.412 -9.178 727 2HG ARG 97 2HG ARG 97 -4.953 -6.794 -8.713 728 1HD ARG 97 1HD ARG 97 -2.856 -5.965 -9.051 729 2HD ARG 97 2HD ARG 97 -2.117 -7.240 -8.103 730 HE ARG 97 HE ARG 97 -1.722 -8.470 -10.072 731 1HH1 ARG 97 2HH2 ARG 97 -3.914 -5.802 -10.750 732 2HH1 ARG 97 1HH2 ARG 97 -3.833 -6.005 -12.468 733 1HH2 ARG 97 2HH1 ARG 97 -1.614 -8.737 -12.339 734 2HH2 ARG 97 1HH1 ARG 97 -2.516 -7.686 -13.378 735 H VAL 98 H VAL 98 -3.581 -4.689 -6.318 736 HA VAL 98 HA VAL 98 -5.425 -2.947 -7.281 737 HB VAL 98 HB VAL 98 -2.445 -3.169 -7.549 738 1HG1 VAL 98 1HG1 VAL 98 -2.348 -0.927 -8.526 739 2HG1 VAL 98 2HG1 VAL 98 -3.215 -2.048 -9.603 740 3HG1 VAL 98 3HG1 VAL 98 -4.125 -0.876 -8.620 741 1HG2 VAL 98 1HG2 VAL 98 -2.902 -2.493 -5.403 742 2HG2 VAL 98 2HG2 VAL 98 -2.830 -0.908 -6.210 743 3HG2 VAL 98 3HG2 VAL 98 -4.406 -1.659 -5.863 744 H VAL 99 H VAL 99 -5.543 -1.914 -9.518 745 HA VAL 99 HA VAL 99 -4.940 -3.733 -11.685 746 HB VAL 99 HB VAL 99 -7.488 -3.222 -12.357 747 1HG1 VAL 99 1HG1 VAL 99 -8.013 -5.533 -11.574 748 2HG1 VAL 99 2HG1 VAL 99 -6.469 -5.412 -12.452 749 3HG1 VAL 99 3HG1 VAL 99 -6.476 -5.539 -10.676 750 1HG2 VAL 99 1HG2 VAL 99 -8.961 -2.961 -10.658 751 2HG2 VAL 99 2HG2 VAL 99 -8.017 -3.974 -9.539 752 3HG2 VAL 99 3HG2 VAL 99 -7.552 -2.277 -9.811 753 H SER 100 H SER 100 -7.434 -1.159 -11.615 754 HA SER 100 HA SER 100 -5.530 0.749 -12.591 755 1HB SER 100 1HB SER 100 -7.796 -0.328 -14.316 756 2HB SER 100 2HB SER 100 -7.034 1.218 -14.630 757 HG SER 100 HG SER 100 -5.079 0.213 -15.094 Start of MODEL 12 1 1H GLY -1 H GLY -1 -7.484 -14.988 -8.134 2 1HA GLY -1 1HA GLY -1 -7.585 -12.785 -9.875 3 2HA GLY -1 2HA GLY -1 -8.790 -13.950 -10.386 4 HA PRO 0 HA PRO 0 -9.894 -12.514 -5.988 5 1HB PRO 0 1HB PRO 0 -8.575 -10.364 -4.936 6 2HB PRO 0 2HB PRO 0 -8.146 -12.024 -4.571 7 1HG PRO 0 1HG PRO 0 -6.762 -10.096 -6.334 8 2HG PRO 0 2HG PRO 0 -6.146 -11.577 -5.629 9 1HD PRO 0 1HD PRO 0 -6.980 -11.187 -8.346 10 2HD PRO 0 2HD PRO 0 -6.473 -12.695 -7.611 11 H MET 1 H MET 1 -10.479 -10.014 -4.902 12 HA MET 1 HA MET 1 -12.433 -9.254 -6.763 13 1HB MET 1 1HB MET 1 -11.398 -8.216 -4.097 14 2HB MET 1 2HB MET 1 -12.538 -7.236 -4.996 15 1HG MET 1 1HG MET 1 -14.119 -9.205 -5.079 16 2HG MET 1 2HG MET 1 -12.990 -10.127 -4.107 17 1HE MET 1 1HE MET 1 -14.217 -9.489 -0.732 18 2HE MET 1 2HE MET 1 -14.075 -10.647 -2.077 19 3HE MET 1 3HE MET 1 -12.635 -9.780 -1.493 20 H GLU 2 H GLU 2 -9.196 -8.006 -5.876 21 HA GLU 2 HA GLU 2 -7.916 -6.483 -6.745 22 1HB GLU 2 1HB GLU 2 -9.574 -6.465 -9.286 23 2HB GLU 2 2HB GLU 2 -7.848 -6.217 -9.117 24 1HG GLU 2 1HG GLU 2 -7.628 -8.612 -8.319 25 2HG GLU 2 2HG GLU 2 -9.339 -8.838 -8.623 26 H PHE 3 H PHE 3 -7.835 -4.353 -6.165 27 HA PHE 3 HA PHE 3 -10.329 -2.836 -6.444 28 1HB PHE 3 1HB PHE 3 -7.871 -2.622 -4.607 29 2HB PHE 3 2HB PHE 3 -9.173 -1.449 -4.592 30 HD1 PHE 3 1HD PHE 3 -8.438 -5.043 -4.029 31 HD2 PHE 3 2HD PHE 3 -11.095 -1.816 -3.299 32 HE1 PHE 3 1HE PHE 3 -9.683 -6.446 -2.360 33 HE2 PHE 3 2HE PHE 3 -12.340 -3.218 -1.630 34 HZ PHE 3 HZ PHE 3 -11.619 -5.516 -1.181 35 H THR 4 H THR 4 -10.367 -1.054 -7.750 36 HA THR 4 HA THR 4 -7.983 -0.436 -9.238 37 HB THR 4 HB THR 4 -9.582 1.075 -10.444 38 HG1 THR 4 1HG THR 4 -10.765 0.763 -7.958 39 1HG2 THR 4 1HG2 THR 4 -11.451 -0.667 -10.887 40 2HG2 THR 4 2HG2 THR 4 -9.789 -1.204 -11.231 41 3HG2 THR 4 3HG2 THR 4 -10.598 -1.717 -9.731 42 H ALA 5 H ALA 5 -7.052 1.709 -9.451 43 HA ALA 5 HA ALA 5 -6.276 2.765 -7.040 44 1HB ALA 5 1HB ALA 5 -6.283 3.711 -9.898 45 2HB ALA 5 2HB ALA 5 -5.780 4.834 -8.612 46 3HB ALA 5 3HB ALA 5 -4.910 3.299 -8.843 47 H GLU 6 H GLU 6 -9.220 3.298 -8.919 48 HA GLU 6 HA GLU 6 -9.873 5.760 -7.756 49 1HB GLU 6 1HB GLU 6 -10.987 3.949 -9.689 50 2HB GLU 6 2HB GLU 6 -12.243 4.298 -8.519 51 1HG GLU 6 1HG GLU 6 -12.243 5.950 -10.384 52 2HG GLU 6 2HG GLU 6 -11.945 6.721 -8.839 53 H GLN 7 H GLN 7 -10.795 2.332 -7.032 54 HA GLN 7 HA GLN 7 -12.415 3.105 -4.853 55 1HB GLN 7 1HB GLN 7 -11.775 0.683 -6.304 56 2HB GLN 7 2HB GLN 7 -11.612 0.368 -4.588 57 1HG GLN 7 1HG GLN 7 -13.952 1.798 -4.580 58 2HG GLN 7 2HG GLN 7 -14.056 1.066 -6.169 59 1HE2 GLN 7 1HE2 GLN 7 -15.905 0.394 -4.381 60 2HE2 GLN 7 2HE2 GLN 7 -15.699 -1.220 -3.787 61 H LEU 8 H LEU 8 -9.020 2.050 -5.303 62 HA LEU 8 HA LEU 8 -8.526 1.733 -2.521 63 1HB LEU 8 1HB LEU 8 -7.245 0.480 -4.080 64 2HB LEU 8 2HB LEU 8 -6.769 1.917 -4.962 65 HG LEU 8 HG LEU 8 -5.801 2.443 -2.431 66 1HD1 LEU 8 1HD1 LEU 8 -5.091 -0.442 -2.946 67 2HD1 LEU 8 2HD1 LEU 8 -4.796 0.547 -1.496 68 3HD1 LEU 8 3HD1 LEU 8 -6.450 0.023 -1.894 69 1HD2 LEU 8 1HD2 LEU 8 -4.692 2.816 -4.613 70 2HD2 LEU 8 2HD2 LEU 8 -3.614 2.095 -3.394 71 3HD2 LEU 8 3HD2 LEU 8 -4.302 1.081 -4.685 72 H SER 9 H SER 9 -8.640 4.422 -4.787 73 HA SER 9 HA SER 9 -7.011 6.106 -3.196 74 1HB SER 9 1HB SER 9 -7.952 7.910 -4.736 75 2HB SER 9 2HB SER 9 -7.110 6.599 -5.537 76 HG SER 9 HG SER 9 -9.972 6.561 -5.160 77 H GLN 10 H GLN 10 -10.066 4.790 -2.726 78 HA GLN 10 HA GLN 10 -10.915 7.149 -1.232 79 1HB GLN 10 1HB GLN 10 -13.257 6.066 -1.445 80 2HB GLN 10 2HB GLN 10 -12.585 6.826 -2.875 81 1HG GLN 10 1HG GLN 10 -11.730 4.558 -3.620 82 2HG GLN 10 2HG GLN 10 -12.533 3.838 -2.238 83 1HE2 GLN 10 1HE2 GLN 10 -14.741 3.676 -2.154 84 2HE2 GLN 10 2HE2 GLN 10 -15.781 3.936 -3.515 85 H TYR 11 H TYR 11 -9.132 4.659 -0.622 86 HA TYR 11 HA TYR 11 -10.573 3.939 1.834 87 1HB TYR 11 1HB TYR 11 -8.822 2.218 -0.033 88 2HB TYR 11 2HB TYR 11 -9.538 1.639 1.458 89 HD1 TYR 11 1HD TYR 11 -12.254 3.121 1.021 90 HD2 TYR 11 2HD TYR 11 -9.866 0.582 -1.460 91 HE1 TYR 11 1HE TYR 11 -14.331 2.407 -0.259 92 HE2 TYR 11 2HE TYR 11 -11.951 -0.124 -2.732 93 HH TYR 11 HH TYR 11 -14.836 1.542 -2.528 94 H ASN 12 H ASN 12 -9.086 5.966 2.331 95 HA ASN 12 HA ASN 12 -6.500 4.860 3.104 96 1HB ASN 12 1HB ASN 12 -5.466 7.001 2.710 97 2HB ASN 12 2HB ASN 12 -6.477 6.719 1.306 98 1HD2 ASN 12 1HD2 ASN 12 -7.588 8.386 0.671 99 2HD2 ASN 12 2HD2 ASN 12 -8.242 9.657 1.649 100 H GLY 13 H GLY 13 -9.414 5.329 4.314 101 1HA GLY 13 1HA GLY 13 -10.212 5.688 6.391 102 2HA GLY 13 2HA GLY 13 -8.569 5.895 6.963 103 H THR 14 H THR 14 -11.511 7.493 5.915 104 HA THR 14 HA THR 14 -10.896 9.886 7.176 105 HB THR 14 HB THR 14 -9.609 9.591 4.605 106 HG1 THR 14 1HG THR 14 -9.141 10.777 6.748 107 1HG2 THR 14 1HG2 THR 14 -10.424 11.781 3.626 108 2HG2 THR 14 2HG2 THR 14 -11.645 10.489 3.530 109 3HG2 THR 14 3HG2 THR 14 -11.778 11.748 4.781 110 H ASP 15 H ASP 15 -12.576 8.378 4.365 111 HA ASP 15 HA ASP 15 -14.710 10.100 4.344 112 1HB ASP 15 1HB ASP 15 -13.936 7.809 2.974 113 2HB ASP 15 2HB ASP 15 -15.354 7.241 3.832 114 H GLU 16 H GLU 16 -16.963 8.170 4.614 115 HA GLU 16 HA GLU 16 -17.358 8.463 7.400 116 1HB GLU 16 1HB GLU 16 -19.032 7.158 5.212 117 2HB GLU 16 2HB GLU 16 -19.572 7.315 6.872 118 1HG GLU 16 1HG GLU 16 -18.620 9.899 6.121 119 2HG GLU 16 2HG GLU 16 -19.553 9.321 4.754 120 H SER 17 H SER 17 -17.988 5.481 5.436 121 HA SER 17 HA SER 17 -16.663 4.014 7.581 122 1HB SER 17 1HB SER 17 -19.257 3.671 6.259 123 2HB SER 17 2HB SER 17 -18.298 2.208 6.150 124 HG SER 17 HG SER 17 -19.042 3.646 8.548 125 H LYS 18 H LYS 18 -15.422 5.244 5.159 126 HA LYS 18 HA LYS 18 -15.018 3.212 3.232 127 1HB LYS 18 1HB LYS 18 -13.841 5.906 3.825 128 2HB LYS 18 2HB LYS 18 -12.986 4.836 2.732 129 1HG LYS 18 1HG LYS 18 -15.919 5.644 2.446 130 2HG LYS 18 2HG LYS 18 -14.594 6.344 1.537 131 1HD LYS 18 1HD LYS 18 -14.556 4.605 0.072 132 2HD LYS 18 2HD LYS 18 -14.519 3.422 1.365 133 1HE LYS 18 1HE LYS 18 -17.153 4.759 1.076 134 2HE LYS 18 2HE LYS 18 -16.669 3.867 -0.353 135 1HZ LYS 18 1HZ LYS 18 -16.197 1.984 1.165 136 2HZ LYS 18 2HZ LYS 18 -16.894 2.825 2.379 137 3HZ LYS 18 3HZ LYS 18 -17.776 2.392 1.075 138 HA PRO 19 HA PRO 19 -12.101 0.898 5.457 139 1HB PRO 19 1HB PRO 19 -11.405 -0.867 3.491 140 2HB PRO 19 2HB PRO 19 -12.827 -1.064 4.496 141 1HG PRO 19 1HG PRO 19 -12.657 -0.189 1.678 142 2HG PRO 19 2HG PRO 19 -14.047 -0.793 2.557 143 1HD PRO 19 1HD PRO 19 -13.499 1.940 1.883 144 2HD PRO 19 2HD PRO 19 -14.827 1.348 2.861 145 H ILE 20 H ILE 20 -9.806 0.271 5.555 146 HA ILE 20 HA ILE 20 -8.315 2.276 4.018 147 HB ILE 20 HB ILE 20 -7.359 0.914 6.519 148 1HG1 ILE 20 1HG1 ILE 20 -8.296 3.492 7.193 149 2HG1 ILE 20 2HG1 ILE 20 -9.599 2.729 6.304 150 1HG2 ILE 20 1HG2 ILE 20 -6.329 3.399 6.560 151 2HG2 ILE 20 2HG2 ILE 20 -5.539 2.018 5.763 152 3HG2 ILE 20 3HG2 ILE 20 -6.495 3.173 4.803 153 1HD1 ILE 20 1HD1 ILE 20 -9.547 2.305 8.842 154 2HD1 ILE 20 2HD1 ILE 20 -9.691 0.862 7.810 155 3HD1 ILE 20 3HD1 ILE 20 -8.122 1.281 8.538 156 H TYR 21 H TYR 21 -7.391 1.428 2.231 157 HA TYR 21 HA TYR 21 -6.115 -1.202 2.542 158 1HB TYR 21 1HB TYR 21 -7.794 0.033 0.275 159 2HB TYR 21 2HB TYR 21 -6.847 -1.423 0.046 160 HD1 TYR 21 1HD TYR 21 -9.958 -0.885 -0.140 161 HD2 TYR 21 2HD TYR 21 -7.418 -2.653 2.814 162 HE1 TYR 21 1HE TYR 21 -11.903 -2.288 0.704 163 HE2 TYR 21 2HE TYR 21 -9.372 -4.050 3.648 164 HH TYR 21 HH TYR 21 -12.418 -4.099 1.921 165 H VAL 22 H VAL 22 -4.046 -1.368 1.726 166 HA VAL 22 HA VAL 22 -3.057 1.024 0.332 167 HB VAL 22 HB VAL 22 -1.364 1.148 1.753 168 1HG1 VAL 22 1HG1 VAL 22 -3.226 -0.730 3.172 169 2HG1 VAL 22 2HG1 VAL 22 -1.657 -0.336 3.914 170 3HG1 VAL 22 3HG1 VAL 22 -2.815 0.962 3.538 171 1HG2 VAL 22 1HG2 VAL 22 -0.398 -0.886 0.554 172 2HG2 VAL 22 2HG2 VAL 22 0.190 -0.582 2.206 173 3HG2 VAL 22 3HG2 VAL 22 -1.019 -1.855 1.912 174 H ALA 23 H ALA 23 -1.543 0.686 -1.401 175 HA ALA 23 HA ALA 23 -1.767 -2.019 -2.521 176 1HB ALA 23 1HB ALA 23 -1.285 0.671 -3.866 177 2HB ALA 23 2HB ALA 23 -1.417 -0.897 -4.697 178 3HB ALA 23 3HB ALA 23 -2.824 -0.224 -3.840 179 H ILE 24 H ILE 24 0.129 -2.970 -3.513 180 HA ILE 24 HA ILE 24 2.645 -1.629 -3.160 181 HB ILE 24 HB ILE 24 1.716 -3.756 -1.306 182 1HG1 ILE 24 1HG1 ILE 24 3.489 -1.313 -1.130 183 2HG1 ILE 24 2HG1 ILE 24 1.908 -1.556 -0.415 184 1HG2 ILE 24 1HG2 ILE 24 4.492 -3.643 -2.489 185 2HG2 ILE 24 2HG2 ILE 24 4.157 -4.346 -0.888 186 3HG2 ILE 24 3HG2 ILE 24 3.397 -5.039 -2.341 187 1HD1 ILE 24 1HD1 ILE 24 3.184 -3.669 0.709 188 2HD1 ILE 24 2HD1 ILE 24 4.576 -2.585 0.475 189 3HD1 ILE 24 3HD1 ILE 24 3.183 -2.048 1.444 190 H LYS 25 H LYS 25 3.447 -1.921 -5.172 191 HA LYS 25 HA LYS 25 4.141 -2.925 -7.010 192 1HB LYS 25 1HB LYS 25 3.911 -5.454 -5.352 193 2HB LYS 25 2HB LYS 25 4.664 -5.368 -6.931 194 1HG LYS 25 1HG LYS 25 5.519 -3.650 -4.555 195 2HG LYS 25 2HG LYS 25 6.281 -5.171 -4.977 196 1HD LYS 25 1HD LYS 25 6.010 -3.180 -7.202 197 2HD LYS 25 2HD LYS 25 7.129 -2.752 -5.922 198 1HE LYS 25 1HE LYS 25 8.490 -3.966 -7.432 199 2HE LYS 25 2HE LYS 25 8.099 -5.161 -6.211 200 1HZ LYS 25 1HZ LYS 25 7.767 -5.728 -8.659 201 2HZ LYS 25 2HZ LYS 25 6.610 -6.182 -7.600 202 3HZ LYS 25 3HZ LYS 25 6.381 -4.873 -8.549 203 H GLY 26 H GLY 26 1.169 -2.591 -6.182 204 1HA GLY 26 1HA GLY 26 -0.601 -2.642 -7.694 205 2HA GLY 26 2HA GLY 26 0.126 -4.000 -8.529 206 H ARG 27 H ARG 27 0.280 -4.285 -5.073 207 HA ARG 27 HA ARG 27 -1.995 -6.095 -5.211 208 1HB ARG 27 1HB ARG 27 0.488 -6.897 -4.681 209 2HB ARG 27 2HB ARG 27 0.159 -6.269 -3.079 210 1HG ARG 27 1HG ARG 27 -2.013 -7.692 -3.134 211 2HG ARG 27 2HG ARG 27 -1.338 -8.478 -4.548 212 1HD ARG 27 1HD ARG 27 0.627 -8.318 -2.358 213 2HD ARG 27 2HD ARG 27 -0.829 -9.154 -1.858 214 HE ARG 27 HE ARG 27 1.168 -10.240 -3.548 215 1HH1 ARG 27 2HH2 ARG 27 -2.336 -9.920 -3.511 216 2HH1 ARG 27 1HH2 ARG 27 -2.605 -11.353 -4.446 217 1HH2 ARG 27 2HH1 ARG 27 0.814 -12.132 -4.781 218 2HH2 ARG 27 1HH1 ARG 27 -0.801 -12.620 -5.173 219 H VAL 28 H VAL 28 -3.715 -5.723 -3.806 220 HA VAL 28 HA VAL 28 -3.500 -3.392 -2.103 221 HB VAL 28 HB VAL 28 -5.808 -5.189 -2.869 222 1HG1 VAL 28 1HG1 VAL 28 -7.126 -3.116 -1.988 223 2HG1 VAL 28 2HG1 VAL 28 -6.509 -4.318 -0.829 224 3HG1 VAL 28 3HG1 VAL 28 -5.640 -2.783 -1.066 225 1HG2 VAL 28 1HG2 VAL 28 -4.474 -3.194 -4.335 226 2HG2 VAL 28 2HG2 VAL 28 -6.045 -3.943 -4.706 227 3HG2 VAL 28 3HG2 VAL 28 -5.978 -2.437 -3.759 228 H PHE 29 H PHE 29 -3.003 -3.501 0.022 229 HA PHE 29 HA PHE 29 -3.363 -6.114 1.310 230 1HB PHE 29 1HB PHE 29 -1.383 -3.790 1.598 231 2HB PHE 29 2HB PHE 29 -1.537 -4.987 2.868 232 HD1 PHE 29 1HD PHE 29 -1.494 -7.522 1.845 233 HD2 PHE 29 2HD PHE 29 0.368 -4.108 0.148 234 HE1 PHE 29 1HE PHE 29 0.134 -9.007 0.643 235 HE2 PHE 29 2HE PHE 29 1.995 -5.593 -1.054 236 HZ PHE 29 HZ PHE 29 1.859 -8.025 -0.793 237 H ASP 30 H ASP 30 -4.330 -6.209 3.372 238 HA ASP 30 HA ASP 30 -5.938 -3.909 3.952 239 1HB ASP 30 1HB ASP 30 -7.210 -5.854 4.191 240 2HB ASP 30 2HB ASP 30 -5.853 -6.798 4.773 241 H VAL 31 H VAL 31 -5.371 -2.419 5.553 242 HA VAL 31 HA VAL 31 -3.457 -3.326 7.588 243 HB VAL 31 HB VAL 31 -2.333 -1.224 7.472 244 1HG1 VAL 31 1HG1 VAL 31 -2.621 -1.937 4.561 245 2HG1 VAL 31 2HG1 VAL 31 -1.159 -1.520 5.488 246 3HG1 VAL 31 3HG1 VAL 31 -1.930 -3.110 5.708 247 1HG2 VAL 31 1HG2 VAL 31 -3.056 0.318 5.441 248 2HG2 VAL 31 2HG2 VAL 31 -4.641 -0.437 5.731 249 3HG2 VAL 31 3HG2 VAL 31 -3.833 0.464 7.036 250 H THR 32 H THR 32 -6.590 -2.515 6.975 251 HA THR 32 HA THR 32 -7.247 -0.491 8.730 252 HB THR 32 HB THR 32 -9.064 -1.167 7.453 253 HG1 THR 32 1HG THR 32 -9.317 -3.231 9.487 254 1HG2 THR 32 1HG2 THR 32 -8.428 -3.064 6.233 255 2HG2 THR 32 2HG2 THR 32 -7.770 -3.886 7.668 256 3HG2 THR 32 3HG2 THR 32 -9.529 -3.828 7.404 257 H THR 33 H THR 33 -6.088 -3.736 9.414 258 HA THR 33 HA THR 33 -7.144 -4.116 11.945 259 HB THR 33 HB THR 33 -5.979 -5.903 10.813 260 HG1 THR 33 1HG THR 33 -4.123 -4.799 12.790 261 1HG2 THR 33 1HG2 THR 33 -3.228 -5.000 11.017 262 2HG2 THR 33 2HG2 THR 33 -4.100 -5.548 9.565 263 3HG2 THR 33 3HG2 THR 33 -4.142 -3.831 10.034 264 H GLY 34 H GLY 34 -5.223 -1.524 10.881 265 1HA GLY 34 1HA GLY 34 -4.848 -0.666 13.634 266 2HA GLY 34 2HA GLY 34 -3.381 -0.914 12.707 267 H LYS 35 H LYS 35 -6.656 0.375 11.787 268 HA LYS 35 HA LYS 35 -5.765 2.233 9.999 269 1HB LYS 35 1HB LYS 35 -7.936 2.837 9.864 270 2HB LYS 35 2HB LYS 35 -8.180 1.409 10.850 271 1HG LYS 35 1HG LYS 35 -8.110 2.802 12.914 272 2HG LYS 35 2HG LYS 35 -7.811 4.236 11.952 273 1HD LYS 35 1HD LYS 35 -10.178 2.730 11.022 274 2HD LYS 35 2HD LYS 35 -10.327 3.242 12.691 275 1HE LYS 35 1HE LYS 35 -9.557 5.589 11.873 276 2HE LYS 35 2HE LYS 35 -9.837 4.995 10.248 277 1HZ LYS 35 1HZ LYS 35 -11.926 5.563 10.596 278 2HZ LYS 35 2HZ LYS 35 -12.066 4.292 11.612 279 3HZ LYS 35 3HZ LYS 35 -11.722 5.776 12.202 280 H SER 36 H SER 36 -5.498 2.233 13.494 281 HA SER 36 HA SER 36 -5.391 4.927 13.971 282 1HB SER 36 1HB SER 36 -4.865 2.521 15.387 283 2HB SER 36 2HB SER 36 -3.411 3.484 15.557 284 HG SER 36 HG SER 36 -6.113 4.303 16.206 285 H PHE 37 H PHE 37 -3.261 2.903 12.126 286 HA PHE 37 HA PHE 37 -1.121 4.896 12.332 287 1HB PHE 37 1HB PHE 37 -1.243 2.003 11.285 288 2HB PHE 37 2HB PHE 37 0.215 2.975 11.293 289 HD1 PHE 37 1HD PHE 37 -1.783 0.691 13.136 290 HD2 PHE 37 2HD PHE 37 1.040 3.827 13.587 291 HE1 PHE 37 1HE PHE 37 -1.258 -0.115 15.454 292 HE2 PHE 37 2HE PHE 37 1.565 3.021 15.905 293 HZ PHE 37 HZ PHE 37 0.410 1.060 16.811 294 H TYR 38 H TYR 38 -3.127 2.945 10.044 295 HA TYR 38 HA TYR 38 -2.073 4.488 7.816 296 1HB TYR 38 1HB TYR 38 -3.367 1.902 8.415 297 2HB TYR 38 2HB TYR 38 -4.256 2.719 7.144 298 HD1 TYR 38 1HD TYR 38 -1.485 0.625 7.874 299 HD2 TYR 38 2HD TYR 38 -2.827 3.620 5.129 300 HE1 TYR 38 1HE TYR 38 0.220 -0.169 6.163 301 HE2 TYR 38 2HE TYR 38 -1.118 2.816 3.428 302 HH TYR 38 HH TYR 38 1.447 1.116 4.117 303 H GLY 39 H GLY 39 -5.104 3.973 9.687 304 1HA GLY 39 1HA GLY 39 -6.971 5.206 8.148 305 2HA GLY 39 2HA GLY 39 -6.914 5.304 9.896 306 H SER 40 H SER 40 -8.009 7.468 8.776 307 HA SER 40 HA SER 40 -6.689 9.424 7.643 308 1HB SER 40 1HB SER 40 -9.033 9.291 8.974 309 2HB SER 40 2HB SER 40 -8.131 10.211 10.162 310 HG SER 40 HG SER 40 -7.696 11.828 8.581 311 H GLY 41 H GLY 41 -4.921 10.757 8.010 312 1HA GLY 41 1HA GLY 41 -2.920 11.272 8.957 313 2HA GLY 41 2HA GLY 41 -3.959 11.867 10.236 314 H GLY 42 H GLY 42 -1.941 9.138 9.128 315 1HA GLY 42 1HA GLY 42 -1.550 8.351 11.912 316 2HA GLY 42 2HA GLY 42 -2.236 7.147 10.840 317 H ASP 43 H ASP 43 0.040 6.268 11.783 318 HA ASP 43 HA ASP 43 2.426 7.093 11.031 319 1HB ASP 43 1HB ASP 43 1.237 4.599 11.741 320 2HB ASP 43 2HB ASP 43 2.205 4.266 10.319 321 H TYR 44 H TYR 44 0.158 5.099 8.993 322 HA TYR 44 HA TYR 44 1.811 5.724 6.653 323 1HB TYR 44 1HB TYR 44 -0.587 3.849 6.752 324 2HB TYR 44 2HB TYR 44 0.878 3.674 5.806 325 HD1 TYR 44 1HD TYR 44 3.099 3.371 7.309 326 HD2 TYR 44 2HD TYR 44 -0.882 2.417 8.553 327 HE1 TYR 44 1HE TYR 44 4.020 1.760 9.047 328 HE2 TYR 44 2HE TYR 44 0.052 0.809 10.286 329 HH TYR 44 HH TYR 44 1.944 0.309 11.438 330 H SER 45 H SER 45 0.615 7.996 7.248 331 HA SER 45 HA SER 45 -2.066 8.126 6.396 332 1HB SER 45 1HB SER 45 -1.956 10.344 7.030 333 2HB SER 45 2HB SER 45 -0.566 9.743 7.913 334 HG SER 45 HG SER 45 -0.083 11.687 6.692 335 H MET 46 H MET 46 1.112 8.297 4.845 336 HA MET 46 HA MET 46 0.050 9.500 2.476 337 1HB MET 46 1HB MET 46 2.491 8.851 1.682 338 2HB MET 46 2HB MET 46 2.317 10.098 2.901 339 1HG MET 46 1HG MET 46 2.494 7.285 3.927 340 2HG MET 46 2HG MET 46 3.953 7.926 3.197 341 1HE MET 46 1HE MET 46 2.980 11.402 4.474 342 2HE MET 46 2HE MET 46 4.662 11.125 4.987 343 3HE MET 46 3HE MET 46 4.112 10.555 3.393 344 H PHE 47 H PHE 47 0.846 6.260 3.725 345 HA PHE 47 HA PHE 47 0.745 5.003 1.174 346 1HB PHE 47 1HB PHE 47 0.340 3.891 4.013 347 2HB PHE 47 2HB PHE 47 0.848 2.962 2.617 348 HD1 PHE 47 1HD PHE 47 2.421 2.762 5.000 349 HD2 PHE 47 2HD PHE 47 2.608 5.710 1.953 350 HE1 PHE 47 1HE PHE 47 4.822 3.208 5.579 351 HE2 PHE 47 2HE PHE 47 5.009 6.155 2.531 352 HZ PHE 47 HZ PHE 47 6.088 4.899 4.337 353 H ALA 48 H ALA 48 -1.573 5.749 3.791 354 HA ALA 48 HA ALA 48 -3.586 3.997 3.247 355 1HB ALA 48 1HB ALA 48 -3.805 6.952 3.952 356 2HB ALA 48 2HB ALA 48 -5.067 5.722 4.201 357 3HB ALA 48 3HB ALA 48 -3.538 5.625 5.108 358 H GLY 49 H GLY 49 -4.909 3.581 1.540 359 1HA GLY 49 1HA GLY 49 -5.808 3.742 -0.514 360 2HA GLY 49 2HA GLY 49 -6.083 5.430 -0.130 361 H LYS 50 H LYS 50 -2.875 3.804 -0.384 362 HA LYS 50 HA LYS 50 -2.408 4.778 -3.020 363 1HB LYS 50 1HB LYS 50 -1.305 6.295 -0.660 364 2HB LYS 50 2HB LYS 50 -0.425 6.231 -2.173 365 1HG LYS 50 1HG LYS 50 -2.884 6.849 -3.156 366 2HG LYS 50 2HG LYS 50 -3.055 7.546 -1.557 367 1HD LYS 50 1HD LYS 50 -2.055 9.373 -2.525 368 2HD LYS 50 2HD LYS 50 -0.575 8.499 -2.184 369 1HE LYS 50 1HE LYS 50 -0.883 7.389 -4.518 370 2HE LYS 50 2HE LYS 50 -2.100 8.614 -4.819 371 1HZ LYS 50 1HZ LYS 50 -0.391 10.275 -4.265 372 2HZ LYS 50 2HZ LYS 50 0.725 9.086 -4.174 373 3HZ LYS 50 3HZ LYS 50 -0.025 9.394 -5.591 374 H ASP 51 H ASP 51 -0.408 3.946 -3.891 375 HA ASP 51 HA ASP 51 0.330 1.547 -2.565 376 1HB ASP 51 1HB ASP 51 0.099 1.713 -5.044 377 2HB ASP 51 2HB ASP 51 1.404 2.882 -5.096 378 H ALA 52 H ALA 52 1.703 1.846 -0.772 379 HA ALA 52 HA ALA 52 3.784 3.869 -0.947 380 1HB ALA 52 1HB ALA 52 4.077 3.349 1.459 381 2HB ALA 52 2HB ALA 52 2.385 3.747 1.073 382 3HB ALA 52 3HB ALA 52 2.867 2.051 1.318 383 H SER 53 H SER 53 4.343 2.078 -2.873 384 HA SER 53 HA SER 53 5.805 -0.124 -1.857 385 1HB SER 53 1HB SER 53 5.064 -0.658 -3.967 386 2HB SER 53 2HB SER 53 5.101 1.004 -4.521 387 HG SER 53 HG SER 53 6.748 -0.647 -5.399 388 H ARG 54 H ARG 54 6.669 2.965 -3.580 389 HA ARG 54 HA ARG 54 9.406 2.553 -3.298 390 1HB ARG 54 1HB ARG 54 8.174 5.321 -3.502 391 2HB ARG 54 2HB ARG 54 9.642 4.726 -4.251 392 1HG ARG 54 1HG ARG 54 7.732 3.015 -5.323 393 2HG ARG 54 2HG ARG 54 6.828 4.508 -5.178 394 1HD ARG 54 1HD ARG 54 9.606 4.486 -6.419 395 2HD ARG 54 2HD ARG 54 8.192 4.093 -7.376 396 HE ARG 54 HE ARG 54 7.547 6.487 -6.053 397 1HH1 ARG 54 2HH2 ARG 54 10.011 5.408 -8.321 398 2HH1 ARG 54 1HH2 ARG 54 10.212 6.969 -9.044 399 1HH2 ARG 54 2HH1 ARG 54 7.811 8.547 -7.006 400 2HH2 ARG 54 1HH1 ARG 54 8.952 8.767 -8.291 401 H ALA 55 H ALA 55 6.920 4.291 -1.358 402 HA ALA 55 HA ALA 55 8.641 5.637 0.363 403 1HB ALA 55 1HB ALA 55 5.853 5.204 0.019 404 2HB ALA 55 2HB ALA 55 6.233 4.770 1.702 405 3HB ALA 55 3HB ALA 55 6.651 6.386 1.084 406 H LEU 56 H LEU 56 7.224 2.316 0.487 407 HA LEU 56 HA LEU 56 8.391 1.741 3.012 408 1HB LEU 56 1HB LEU 56 6.933 0.215 0.896 409 2HB LEU 56 2HB LEU 56 7.812 -0.669 2.127 410 HG LEU 56 HG LEU 56 5.866 1.469 2.946 411 1HD1 LEU 56 1HD1 LEU 56 4.625 -1.137 2.965 412 2HD1 LEU 56 2HD1 LEU 56 4.055 0.391 2.251 413 3HD1 LEU 56 3HD1 LEU 56 5.112 -0.690 1.312 414 1HD2 LEU 56 1HD2 LEU 56 7.561 -0.036 4.403 415 2HD2 LEU 56 2HD2 LEU 56 6.001 0.567 5.011 416 3HD2 LEU 56 3HD2 LEU 56 6.134 -1.100 4.401 417 H GLY 57 H GLY 57 9.246 1.076 -0.432 418 1HA GLY 57 1HA GLY 57 11.447 -0.560 -0.001 419 2HA GLY 57 2HA GLY 57 11.196 0.490 -1.381 420 H LYS 58 H LYS 58 11.724 2.899 -1.045 421 HA LYS 58 HA LYS 58 14.358 3.114 -0.148 422 1HB LYS 58 1HB LYS 58 12.396 5.371 -0.634 423 2HB LYS 58 2HB LYS 58 14.146 5.455 -0.692 424 1HG LYS 58 1HG LYS 58 14.115 4.842 -2.872 425 2HG LYS 58 2HG LYS 58 13.361 3.320 -2.443 426 1HD LYS 58 1HD LYS 58 11.307 4.001 -3.169 427 2HD LYS 58 2HD LYS 58 11.438 5.551 -2.363 428 1HE LYS 58 1HE LYS 58 13.266 5.323 -4.677 429 2HE LYS 58 2HE LYS 58 11.585 5.122 -5.129 430 1HZ LYS 58 1HZ LYS 58 12.728 7.386 -3.649 431 2HZ LYS 58 2HZ LYS 58 12.128 7.409 -5.168 432 3HZ LYS 58 3HZ LYS 58 11.127 7.181 -3.897 433 H MET 59 H MET 59 11.245 3.420 1.481 434 HA MET 59 HA MET 59 10.785 3.545 3.614 435 1HB MET 59 1HB MET 59 13.755 3.949 4.238 436 2HB MET 59 2HB MET 59 12.528 3.323 5.320 437 1HG MET 59 1HG MET 59 12.476 1.646 2.998 438 2HG MET 59 2HG MET 59 14.166 1.876 3.399 439 1HE MET 59 1HE MET 59 14.359 -1.172 5.161 440 2HE MET 59 2HE MET 59 14.953 0.060 4.022 441 3HE MET 59 3HE MET 59 15.232 0.255 5.769 442 H SER 60 H SER 60 10.753 5.836 1.905 443 HA SER 60 HA SER 60 11.852 7.960 3.513 444 1HB SER 60 1HB SER 60 11.573 7.644 0.792 445 2HB SER 60 2HB SER 60 10.164 8.622 1.149 446 HG SER 60 HG SER 60 12.607 9.524 0.803 447 H LYS 61 H LYS 61 8.760 6.420 2.622 448 HA LYS 61 HA LYS 61 6.747 6.564 3.528 449 1HB LYS 61 1HB LYS 61 7.940 8.446 5.584 450 2HB LYS 61 2HB LYS 61 6.399 7.620 5.697 451 1HG LYS 61 1HG LYS 61 7.908 5.441 5.286 452 2HG LYS 61 2HG LYS 61 9.186 6.474 5.895 453 1HD LYS 61 1HD LYS 61 8.294 6.570 8.034 454 2HD LYS 61 2HD LYS 61 6.637 6.497 7.469 455 1HE LYS 61 1HE LYS 61 6.557 4.219 7.638 456 2HE LYS 61 2HE LYS 61 8.115 4.017 6.861 457 1HZ LYS 61 1HZ LYS 61 8.463 5.158 9.392 458 2HZ LYS 61 2HZ LYS 61 7.558 3.806 9.536 459 3HZ LYS 61 3HZ LYS 61 9.028 3.734 8.828 460 H ASN 62 H ASN 62 8.223 8.703 1.684 461 HA ASN 62 HA ASN 62 6.700 11.027 2.053 462 1HB ASN 62 1HB ASN 62 8.341 9.920 -0.273 463 2HB ASN 62 2HB ASN 62 7.501 11.453 -0.404 464 1HD2 ASN 62 1HD2 ASN 62 8.840 13.062 -0.172 465 2HD2 ASN 62 2HD2 ASN 62 10.117 13.213 0.989 466 H GLU 63 H GLU 63 4.764 11.685 0.937 467 HA GLU 63 HA GLU 63 3.175 9.538 -0.001 468 1HB GLU 63 1HB GLU 63 2.586 11.845 1.270 469 2HB GLU 63 2HB GLU 63 2.321 12.395 -0.373 470 1HG GLU 63 1HG GLU 63 1.129 9.735 0.168 471 2HG GLU 63 2HG GLU 63 0.475 11.001 1.188 472 H GLU 64 H GLU 64 5.400 11.791 -1.429 473 HA GLU 64 HA GLU 64 4.133 11.657 -4.004 474 1HB GLU 64 1HB GLU 64 6.866 12.838 -3.398 475 2HB GLU 64 2HB GLU 64 5.785 13.243 -4.717 476 1HG GLU 64 1HG GLU 64 4.461 13.603 -2.120 477 2HG GLU 64 2HG GLU 64 5.946 14.531 -2.203 478 H ASP 65 H ASP 65 6.412 9.864 -2.107 479 HA ASP 65 HA ASP 65 7.891 8.891 -4.332 480 1HB ASP 65 1HB ASP 65 9.079 7.571 -2.721 481 2HB ASP 65 2HB ASP 65 8.735 9.094 -1.926 482 H VAL 66 H VAL 66 5.091 7.955 -2.301 483 HA VAL 66 HA VAL 66 4.873 5.287 -2.819 484 HB VAL 66 HB VAL 66 2.823 5.482 -1.915 485 1HG1 VAL 66 1HG1 VAL 66 2.704 7.251 -0.366 486 2HG1 VAL 66 2HG1 VAL 66 4.442 7.076 -0.709 487 3HG1 VAL 66 3HG1 VAL 66 3.513 8.391 -1.468 488 1HG2 VAL 66 1HG2 VAL 66 1.187 7.311 -2.494 489 2HG2 VAL 66 2HG2 VAL 66 2.361 7.891 -3.700 490 3HG2 VAL 66 3HG2 VAL 66 1.656 6.264 -3.855 491 H SER 67 H SER 67 4.822 4.122 -4.664 492 HA SER 67 HA SER 67 3.605 5.436 -6.966 493 1HB SER 67 1HB SER 67 5.292 4.649 -8.401 494 2HB SER 67 2HB SER 67 6.193 5.099 -6.967 495 HG SER 67 HG SER 67 5.510 2.482 -7.926 496 HA PRO 68 HA PRO 68 1.128 1.820 -6.740 497 1HB PRO 68 1HB PRO 68 -0.615 2.441 -8.752 498 2HB PRO 68 2HB PRO 68 -0.805 3.016 -7.108 499 1HG PRO 68 1HG PRO 68 0.116 4.497 -9.495 500 2HG PRO 68 2HG PRO 68 -0.481 5.129 -7.973 501 1HD PRO 68 1HD PRO 68 2.254 5.011 -8.828 502 2HD PRO 68 2HD PRO 68 1.667 5.536 -7.262 503 H SER 69 H SER 69 3.544 2.367 -8.689 504 HA SER 69 HA SER 69 3.256 -0.218 -9.849 505 1HB SER 69 1HB SER 69 2.227 1.765 -11.400 506 2HB SER 69 2HB SER 69 3.905 1.878 -11.891 507 HG SER 69 HG SER 69 3.796 -0.506 -12.279 508 H LEU 70 H LEU 70 5.309 -1.143 -10.261 509 HA LEU 70 HA LEU 70 7.516 0.307 -9.162 510 1HB LEU 70 1HB LEU 70 8.742 -1.814 -9.726 511 2HB LEU 70 2HB LEU 70 7.419 -1.945 -8.583 512 HG LEU 70 HG LEU 70 6.070 -3.133 -10.047 513 1HD1 LEU 70 1HD1 LEU 70 6.332 -1.447 -11.907 514 2HD1 LEU 70 2HD1 LEU 70 7.764 -2.366 -12.432 515 3HD1 LEU 70 3HD1 LEU 70 6.163 -3.144 -12.417 516 1HD2 LEU 70 1HD2 LEU 70 7.256 -5.027 -10.408 517 2HD2 LEU 70 2HD2 LEU 70 8.569 -4.183 -11.263 518 3HD2 LEU 70 3HD2 LEU 70 8.492 -4.140 -9.485 519 H GLU 71 H GLU 71 6.732 1.930 -11.137 520 HA GLU 71 HA GLU 71 8.274 1.210 -13.477 521 1HB GLU 71 1HB GLU 71 5.889 2.784 -12.976 522 2HB GLU 71 2HB GLU 71 7.076 3.788 -13.783 523 1HG GLU 71 1HG GLU 71 6.924 1.075 -14.944 524 2HG GLU 71 2HG GLU 71 5.389 1.918 -15.016 525 H GLY 72 H GLY 72 9.228 2.176 -10.632 526 1HA GLY 72 1HA GLY 72 11.431 3.714 -11.602 527 2HA GLY 72 2HA GLY 72 10.294 4.709 -10.713 528 H LEU 73 H LEU 73 10.690 1.237 -9.998 529 HA LEU 73 HA LEU 73 11.589 1.975 -7.339 530 1HB LEU 73 1HB LEU 73 10.242 -0.341 -8.602 531 2HB LEU 73 2HB LEU 73 11.320 -0.706 -7.269 532 HG LEU 73 HG LEU 73 8.743 -0.217 -6.905 533 1HD1 LEU 73 1HD1 LEU 73 11.127 0.312 -5.204 534 2HD1 LEU 73 2HD1 LEU 73 9.550 0.883 -4.608 535 3HD1 LEU 73 3HD1 LEU 73 9.786 -0.839 -4.989 536 1HD2 LEU 73 1HD2 LEU 73 8.029 1.900 -6.914 537 2HD2 LEU 73 2HD2 LEU 73 9.500 2.501 -6.113 538 3HD2 LEU 73 3HD2 LEU 73 9.486 2.247 -7.875 539 H THR 74 H THR 74 13.693 1.967 -6.767 540 HA THR 74 HA THR 74 15.601 0.823 -8.635 541 HB THR 74 HB THR 74 15.945 3.113 -7.757 542 HG1 THR 74 1HG THR 74 17.946 2.116 -7.973 543 1HG2 THR 74 1HG2 THR 74 15.887 1.675 -5.058 544 2HG2 THR 74 2HG2 THR 74 16.635 3.274 -5.285 545 3HG2 THR 74 3HG2 THR 74 14.890 3.061 -5.562 546 H GLU 75 H GLU 75 17.676 -0.086 -7.268 547 HA GLU 75 HA GLU 75 16.767 -2.588 -6.442 548 1HB GLU 75 1HB GLU 75 19.309 -1.262 -6.952 549 2HB GLU 75 2HB GLU 75 19.428 -2.232 -5.497 550 1HG GLU 75 1HG GLU 75 18.030 -3.931 -7.202 551 2HG GLU 75 2HG GLU 75 19.092 -3.096 -8.318 552 H LYS 76 H LYS 76 17.881 0.349 -4.684 553 HA LYS 76 HA LYS 76 18.136 -0.687 -2.163 554 1HB LYS 76 1HB LYS 76 18.395 1.462 -1.561 555 2HB LYS 76 2HB LYS 76 18.341 1.775 -3.284 556 1HG LYS 76 1HG LYS 76 15.920 2.237 -3.175 557 2HG LYS 76 2HG LYS 76 15.873 1.781 -1.483 558 1HD LYS 76 1HD LYS 76 17.682 4.022 -2.472 559 2HD LYS 76 2HD LYS 76 16.008 4.320 -2.049 560 1HE LYS 76 1HE LYS 76 16.503 4.328 0.168 561 2HE LYS 76 2HE LYS 76 17.247 2.745 0.058 562 1HZ LYS 76 1HZ LYS 76 18.525 5.122 0.421 563 2HZ LYS 76 2HZ LYS 76 19.226 3.678 0.119 564 3HZ LYS 76 3HZ LYS 76 18.895 4.699 -1.112 565 H GLU 77 H GLU 77 15.142 0.564 -3.781 566 HA GLU 77 HA GLU 77 13.583 -0.258 -1.541 567 1HB GLU 77 1HB GLU 77 11.740 0.328 -3.470 568 2HB GLU 77 2HB GLU 77 12.485 1.532 -2.437 569 1HG GLU 77 1HG GLU 77 14.206 2.001 -4.136 570 2HG GLU 77 2HG GLU 77 13.623 0.691 -5.144 571 H ILE 78 H ILE 78 14.210 -1.360 -4.916 572 HA ILE 78 HA ILE 78 12.308 -3.290 -5.166 573 HB ILE 78 HB ILE 78 15.084 -2.933 -6.189 574 1HG1 ILE 78 1HG1 ILE 78 12.532 -2.134 -6.991 575 2HG1 ILE 78 2HG1 ILE 78 14.021 -2.003 -7.906 576 1HG2 ILE 78 1HG2 ILE 78 14.969 -4.966 -7.509 577 2HG2 ILE 78 2HG2 ILE 78 14.909 -5.354 -5.773 578 3HG2 ILE 78 3HG2 ILE 78 13.420 -5.404 -6.748 579 1HD1 ILE 78 1HD1 ILE 78 12.283 -3.189 -9.212 580 2HD1 ILE 78 2HD1 ILE 78 13.653 -4.271 -8.863 581 3HD1 ILE 78 3HD1 ILE 78 12.146 -4.414 -7.927 582 H ASN 79 H ASN 79 15.118 -3.213 -3.031 583 HA ASN 79 HA ASN 79 14.942 -6.023 -2.525 584 1HB ASN 79 1HB ASN 79 16.672 -3.728 -1.577 585 2HB ASN 79 2HB ASN 79 16.599 -5.159 -0.569 586 1HD2 ASN 79 1HD2 ASN 79 18.375 -3.715 -2.813 587 2HD2 ASN 79 2HD2 ASN 79 19.080 -5.054 -3.654 588 H THR 80 H THR 80 14.286 -2.856 -0.882 589 HA THR 80 HA THR 80 13.240 -4.129 1.476 590 HB THR 80 HB THR 80 13.231 -1.223 0.501 591 HG1 THR 80 1HG THR 80 14.919 -2.903 2.218 592 1HG2 THR 80 1HG2 THR 80 11.988 -0.879 2.402 593 2HG2 THR 80 2HG2 THR 80 12.220 -2.559 2.941 594 3HG2 THR 80 3HG2 THR 80 13.459 -1.332 3.296 595 H LEU 81 H LEU 81 11.891 -2.424 -1.404 596 HA LEU 81 HA LEU 81 9.253 -2.437 -0.580 597 1HB LEU 81 1HB LEU 81 9.772 -1.109 -2.399 598 2HB LEU 81 2HB LEU 81 10.647 -2.382 -3.227 599 HG LEU 81 HG LEU 81 8.296 -1.590 -4.071 600 1HD1 LEU 81 1HD1 LEU 81 9.679 -4.168 -4.132 601 2HD1 LEU 81 2HD1 LEU 81 7.934 -4.296 -4.460 602 3HD1 LEU 81 3HD1 LEU 81 8.949 -3.219 -5.450 603 1HD2 LEU 81 1HD2 LEU 81 7.123 -3.819 -2.541 604 2HD2 LEU 81 2HD2 LEU 81 7.493 -2.363 -1.585 605 3HD2 LEU 81 3HD2 LEU 81 6.432 -2.247 -3.010 606 H ASN 82 H ASN 82 10.979 -4.864 -2.667 607 HA ASN 82 HA ASN 82 8.916 -6.592 -2.939 608 1HB ASN 82 1HB ASN 82 11.923 -6.887 -2.854 609 2HB ASN 82 2HB ASN 82 10.972 -8.359 -2.845 610 1HD2 ASN 82 1HD2 ASN 82 11.253 -5.228 -4.503 611 2HD2 ASN 82 2HD2 ASN 82 10.872 -5.784 -6.098 612 H ASP 83 H ASP 83 11.448 -6.404 -0.340 613 HA ASP 83 HA ASP 83 10.548 -8.637 1.051 614 1HB ASP 83 1HB ASP 83 12.689 -8.008 1.703 615 2HB ASP 83 2HB ASP 83 12.341 -6.295 1.575 616 H TRP 84 H TRP 84 9.715 -5.152 1.042 617 HA TRP 84 HA TRP 84 8.312 -5.080 3.467 618 1HB TRP 84 1HB TRP 84 8.636 -3.372 1.087 619 2HB TRP 84 2HB TRP 84 7.118 -3.167 1.938 620 HD1 TRP 84 HD TRP 84 10.136 -1.389 1.902 621 HE1 TRP 84 1HE TRP 84 10.904 -0.303 4.181 622 HE3 TRP 84 3HE TRP 84 7.160 -4.248 4.872 623 HZ2 TRP 84 2HZ TRP 84 10.196 -0.752 6.909 624 HZ3 TRP 84 3HZ TRP 84 7.259 -3.861 7.332 625 HH2 TRP 84 HH TRP 84 8.710 -2.184 8.359 626 H GLU 85 H GLU 85 7.451 -5.951 0.083 627 HA GLU 85 HA GLU 85 4.715 -6.070 0.485 628 1HB GLU 85 1HB GLU 85 5.100 -6.179 -1.761 629 2HB GLU 85 2HB GLU 85 6.662 -6.947 -1.559 630 1HG GLU 85 1HG GLU 85 4.118 -8.514 -1.020 631 2HG GLU 85 2HG GLU 85 4.688 -8.304 -2.664 632 H THR 86 H THR 86 7.323 -8.541 0.848 633 HA THR 86 HA THR 86 5.578 -10.687 1.412 634 HB THR 86 HB THR 86 8.531 -10.058 1.718 635 HG1 THR 86 1HG THR 86 8.436 -11.936 0.215 636 1HG2 THR 86 1HG2 THR 86 8.208 -12.821 2.153 637 2HG2 THR 86 2HG2 THR 86 8.738 -11.635 3.370 638 3HG2 THR 86 3HG2 THR 86 7.018 -12.079 3.250 639 H LYS 87 H LYS 87 6.975 -8.081 3.393 640 HA LYS 87 HA LYS 87 6.302 -9.345 5.854 641 1HB LYS 87 1HB LYS 87 7.021 -6.469 5.208 642 2HB LYS 87 2HB LYS 87 6.885 -7.139 6.822 643 1HG LYS 87 1HG LYS 87 8.783 -8.533 6.554 644 2HG LYS 87 2HG LYS 87 8.688 -8.501 4.804 645 1HD LYS 87 1HD LYS 87 9.866 -6.536 4.639 646 2HD LYS 87 2HD LYS 87 9.065 -5.818 6.022 647 1HE LYS 87 1HE LYS 87 10.691 -8.012 6.973 648 2HE LYS 87 2HE LYS 87 11.678 -7.028 5.911 649 1HZ LYS 87 1HZ LYS 87 11.829 -6.074 8.010 650 2HZ LYS 87 2HZ LYS 87 10.798 -5.092 7.210 651 3HZ LYS 87 3HZ LYS 87 10.225 -6.164 8.302 652 H PHE 88 H PHE 88 4.801 -6.867 3.705 653 HA PHE 88 HA PHE 88 2.633 -6.406 5.469 654 1HB PHE 88 1HB PHE 88 3.644 -5.668 2.764 655 2HB PHE 88 2HB PHE 88 1.894 -5.763 2.804 656 HD1 PHE 88 1HD PHE 88 4.321 -4.575 5.379 657 HD2 PHE 88 2HD PHE 88 1.099 -3.592 2.798 658 HE1 PHE 88 1HE PHE 88 4.220 -2.276 6.381 659 HE2 PHE 88 2HE PHE 88 0.997 -1.293 3.801 660 HZ PHE 88 HZ PHE 88 2.559 -0.663 5.581 661 H GLU 89 H GLU 89 3.180 -8.487 2.573 662 HA GLU 89 HA GLU 89 0.486 -9.311 2.478 663 1HB GLU 89 1HB GLU 89 1.142 -10.646 0.650 664 2HB GLU 89 2HB GLU 89 2.274 -9.310 0.591 665 1HG GLU 89 1HG GLU 89 3.839 -10.991 0.487 666 2HG GLU 89 2HG GLU 89 3.672 -10.977 2.231 667 H ALA 90 H ALA 90 3.229 -10.146 4.439 668 HA ALA 90 HA ALA 90 2.159 -12.782 5.060 669 1HB ALA 90 1HB ALA 90 4.255 -12.966 6.403 670 2HB ALA 90 2HB ALA 90 4.567 -12.578 4.694 671 3HB ALA 90 3HB ALA 90 4.675 -11.302 5.930 672 H LYS 91 H LYS 91 1.886 -9.494 6.043 673 HA LYS 91 HA LYS 91 0.989 -10.353 8.705 674 1HB LYS 91 1HB LYS 91 2.403 -7.909 7.723 675 2HB LYS 91 2HB LYS 91 1.253 -7.718 9.031 676 1HG LYS 91 1HG LYS 91 2.804 -10.061 9.625 677 2HG LYS 91 2HG LYS 91 3.934 -8.818 9.127 678 1HD LYS 91 1HD LYS 91 1.747 -8.046 11.059 679 2HD LYS 91 2HD LYS 91 3.080 -9.007 11.669 680 1HE LYS 91 1HE LYS 91 4.138 -6.871 10.004 681 2HE LYS 91 2HE LYS 91 3.035 -6.185 11.179 682 1HZ LYS 91 1HZ LYS 91 5.311 -6.419 11.990 683 2HZ LYS 91 2HZ LYS 91 4.245 -7.241 12.915 684 3HZ LYS 91 3HZ LYS 91 5.204 -8.044 11.864 685 H TYR 92 H TYR 92 0.336 -7.716 6.283 686 HA TYR 92 HA TYR 92 -2.377 -7.532 7.136 687 1HB TYR 92 1HB TYR 92 -0.651 -6.519 4.800 688 2HB TYR 92 2HB TYR 92 -2.337 -6.062 4.944 689 HD1 TYR 92 1HD TYR 92 0.526 -4.524 5.155 690 HD2 TYR 92 2HD TYR 92 -2.574 -5.634 7.887 691 HE1 TYR 92 1HE TYR 92 1.175 -2.599 6.684 692 HE2 TYR 92 2HE TYR 92 -1.915 -3.705 9.407 693 HH TYR 92 HH TYR 92 -0.651 -1.303 8.820 694 HA PRO 93 HA PRO 93 -4.039 -10.525 4.473 695 1HB PRO 93 1HB PRO 93 -6.686 -9.878 4.668 696 2HB PRO 93 2HB PRO 93 -5.847 -10.849 5.861 697 1HG PRO 93 1HG PRO 93 -6.698 -8.023 6.037 698 2HG PRO 93 2HG PRO 93 -6.254 -9.119 7.331 699 1HD PRO 93 1HD PRO 93 -4.643 -7.013 6.237 700 2HD PRO 93 2HD PRO 93 -4.158 -8.181 7.450 701 H VAL 94 H VAL 94 -4.243 -10.861 2.330 702 HA VAL 94 HA VAL 94 -4.450 -8.407 0.797 703 HB VAL 94 HB VAL 94 -3.889 -11.257 -0.048 704 1HG1 VAL 94 1HG1 VAL 94 -4.601 -9.050 -1.609 705 2HG1 VAL 94 2HG1 VAL 94 -2.829 -9.147 -1.749 706 3HG1 VAL 94 3HG1 VAL 94 -3.834 -10.555 -2.169 707 1HG2 VAL 94 1HG2 VAL 94 -1.652 -10.933 0.287 708 2HG2 VAL 94 2HG2 VAL 94 -1.751 -9.175 0.022 709 3HG2 VAL 94 3HG2 VAL 94 -2.274 -9.872 1.574 710 H VAL 95 H VAL 95 -6.485 -7.677 0.416 711 HA VAL 95 HA VAL 95 -8.644 -9.588 0.225 712 HB VAL 95 HB VAL 95 -10.047 -7.595 0.129 713 1HG1 VAL 95 1HG1 VAL 95 -8.922 -6.512 2.349 714 2HG1 VAL 95 2HG1 VAL 95 -9.845 -8.034 2.342 715 3HG1 VAL 95 3HG1 VAL 95 -8.066 -8.072 2.284 716 1HG2 VAL 95 1HG2 VAL 95 -7.774 -5.735 0.608 717 2HG2 VAL 95 2HG2 VAL 95 -7.998 -6.313 -1.061 718 3HG2 VAL 95 3HG2 VAL 95 -9.324 -5.468 -0.226 719 H GLY 96 H GLY 96 -6.310 -8.165 -1.844 720 1HA GLY 96 1HA GLY 96 -7.039 -9.427 -4.133 721 2HA GLY 96 2HA GLY 96 -7.973 -7.946 -4.185 722 H ARG 97 H ARG 97 -6.326 -7.992 -6.213 723 HA ARG 97 HA ARG 97 -3.941 -6.588 -5.310 724 1HB ARG 97 1HB ARG 97 -2.777 -7.410 -7.247 725 2HB ARG 97 2HB ARG 97 -3.663 -8.788 -6.625 726 1HG ARG 97 1HG ARG 97 -4.640 -9.015 -8.657 727 2HG ARG 97 2HG ARG 97 -5.480 -7.502 -8.381 728 1HD ARG 97 1HD ARG 97 -3.309 -6.335 -9.232 729 2HD ARG 97 2HD ARG 97 -2.814 -7.918 -9.797 730 HE ARG 97 HE ARG 97 -5.474 -7.469 -10.719 731 1HH1 ARG 97 2HH2 ARG 97 -2.230 -6.204 -11.230 732 2HH1 ARG 97 1HH2 ARG 97 -2.543 -5.705 -12.858 733 1HH2 ARG 97 2HH1 ARG 97 -5.887 -6.811 -12.868 734 2HH2 ARG 97 1HH1 ARG 97 -4.637 -6.052 -13.797 735 H VAL 98 H VAL 98 -3.439 -4.553 -6.286 736 HA VAL 98 HA VAL 98 -5.490 -2.936 -7.041 737 HB VAL 98 HB VAL 98 -2.528 -2.908 -7.395 738 1HG1 VAL 98 1HG1 VAL 98 -2.555 -0.752 -8.507 739 2HG1 VAL 98 2HG1 VAL 98 -3.427 -1.942 -9.503 740 3HG1 VAL 98 3HG1 VAL 98 -4.335 -0.752 -8.540 741 1HG2 VAL 98 1HG2 VAL 98 -3.180 -0.584 -6.191 742 2HG2 VAL 98 2HG2 VAL 98 -4.595 -1.561 -5.732 743 3HG2 VAL 98 3HG2 VAL 98 -2.956 -2.113 -5.308 744 H VAL 99 H VAL 99 -5.803 -1.815 -9.233 745 HA VAL 99 HA VAL 99 -5.217 -3.503 -11.504 746 HB VAL 99 HB VAL 99 -7.864 -3.122 -11.951 747 1HG1 VAL 99 1HG1 VAL 99 -8.074 -5.575 -11.151 748 2HG1 VAL 99 2HG1 VAL 99 -6.911 -5.203 -12.446 749 3HG1 VAL 99 3HG1 VAL 99 -6.338 -5.448 -10.779 750 1HG2 VAL 99 1HG2 VAL 99 -9.191 -3.240 -10.102 751 2HG2 VAL 99 2HG2 VAL 99 -7.994 -4.165 -9.163 752 3HG2 VAL 99 3HG2 VAL 99 -7.803 -2.407 -9.361 753 H SER 100 H SER 100 -7.852 -1.092 -11.066 754 HA SER 100 HA SER 100 -7.910 1.060 -11.571 755 1HB SER 100 1HB SER 100 -5.250 0.926 -11.304 756 2HB SER 100 2HB SER 100 -5.281 1.069 -13.051 757 HG SER 100 HG SER 100 -5.285 3.093 -11.493 Start of MODEL 13 1 1H GLY -1 H GLY -1 -9.983 -14.037 -11.631 2 1HA GLY -1 1HA GLY -1 -7.425 -13.168 -10.425 3 2HA GLY -1 2HA GLY -1 -8.360 -12.138 -11.491 4 HA PRO 0 HA PRO 0 -9.880 -11.866 -7.097 5 1HB PRO 0 1HB PRO 0 -8.488 -9.726 -6.123 6 2HB PRO 0 2HB PRO 0 -8.037 -11.389 -5.803 7 1HG PRO 0 1HG PRO 0 -6.777 -9.448 -7.643 8 2HG PRO 0 2HG PRO 0 -6.114 -10.935 -6.994 9 1HD PRO 0 1HD PRO 0 -7.136 -10.523 -9.642 10 2HD PRO 0 2HD PRO 0 -6.582 -12.038 -8.957 11 H MET 1 H MET 1 -10.572 -9.529 -5.923 12 HA MET 1 HA MET 1 -12.560 -8.699 -7.682 13 1HB MET 1 1HB MET 1 -11.429 -7.700 -5.035 14 2HB MET 1 2HB MET 1 -12.661 -6.758 -5.850 15 1HG MET 1 1HG MET 1 -13.045 -9.733 -5.315 16 2HG MET 1 2HG MET 1 -13.446 -8.531 -4.103 17 1HE MET 1 1HE MET 1 -16.271 -6.476 -5.625 18 2HE MET 1 2HE MET 1 -15.763 -7.237 -4.098 19 3HE MET 1 3HE MET 1 -14.616 -6.232 -5.016 20 H GLU 2 H GLU 2 -9.243 -7.620 -7.125 21 HA GLU 2 HA GLU 2 -8.022 -6.042 -7.981 22 1HB GLU 2 1HB GLU 2 -10.020 -6.466 -10.216 23 2HB GLU 2 2HB GLU 2 -8.785 -5.233 -10.379 24 1HG GLU 2 1HG GLU 2 -7.063 -6.771 -10.540 25 2HG GLU 2 2HG GLU 2 -7.809 -7.891 -9.419 26 H PHE 3 H PHE 3 -7.933 -4.109 -6.922 27 HA PHE 3 HA PHE 3 -10.313 -2.406 -7.076 28 1HB PHE 3 1HB PHE 3 -7.947 -2.732 -5.147 29 2HB PHE 3 2HB PHE 3 -9.006 -1.339 -5.047 30 HD1 PHE 3 1HD PHE 3 -11.461 -1.715 -4.571 31 HD2 PHE 3 2HD PHE 3 -8.567 -4.794 -4.184 32 HE1 PHE 3 1HE PHE 3 -13.043 -3.021 -3.124 33 HE2 PHE 3 2HE PHE 3 -10.149 -6.100 -2.737 34 HZ PHE 3 HZ PHE 3 -12.368 -5.197 -2.225 35 H THR 4 H THR 4 -10.203 -0.453 -8.107 36 HA THR 4 HA THR 4 -7.763 0.207 -9.468 37 HB THR 4 HB THR 4 -9.230 2.022 -10.407 38 HG1 THR 4 1HG THR 4 -11.359 2.158 -9.452 39 1HG2 THR 4 1HG2 THR 4 -9.767 -0.817 -10.579 40 2HG2 THR 4 2HG2 THR 4 -11.324 0.042 -10.518 41 3HG2 THR 4 3HG2 THR 4 -10.137 0.442 -11.782 42 H ALA 5 H ALA 5 -6.462 2.050 -9.230 43 HA ALA 5 HA ALA 5 -5.847 2.743 -6.642 44 1HB ALA 5 1HB ALA 5 -4.232 3.081 -8.347 45 2HB ALA 5 2HB ALA 5 -5.352 4.055 -9.330 46 3HB ALA 5 3HB ALA 5 -4.684 4.720 -7.820 47 H GLU 6 H GLU 6 -8.383 3.936 -8.786 48 HA GLU 6 HA GLU 6 -8.754 6.373 -7.432 49 1HB GLU 6 1HB GLU 6 -9.840 5.020 -9.723 50 2HB GLU 6 2HB GLU 6 -11.188 5.481 -8.703 51 1HG GLU 6 1HG GLU 6 -10.513 7.814 -8.707 52 2HG GLU 6 2HG GLU 6 -8.961 7.433 -9.428 53 H GLN 7 H GLN 7 -10.338 3.121 -7.287 54 HA GLN 7 HA GLN 7 -12.134 3.964 -5.273 55 1HB GLN 7 1HB GLN 7 -11.675 1.602 -6.911 56 2HB GLN 7 2HB GLN 7 -11.923 1.124 -5.243 57 1HG GLN 7 1HG GLN 7 -13.772 3.084 -6.671 58 2HG GLN 7 2HG GLN 7 -14.041 1.353 -6.697 59 1HE2 GLN 7 1HE2 GLN 7 -15.667 0.925 -5.413 60 2HE2 GLN 7 2HE2 GLN 7 -15.889 1.474 -3.785 61 H LEU 8 H LEU 8 -8.998 2.203 -5.390 62 HA LEU 8 HA LEU 8 -8.952 1.409 -2.720 63 1HB LEU 8 1HB LEU 8 -7.441 0.336 -4.066 64 2HB LEU 8 2HB LEU 8 -6.947 1.802 -4.890 65 HG LEU 8 HG LEU 8 -6.185 2.086 -2.161 66 1HD1 LEU 8 1HD1 LEU 8 -5.131 0.181 -1.502 67 2HD1 LEU 8 2HD1 LEU 8 -6.452 -0.548 -2.447 68 3HD1 LEU 8 3HD1 LEU 8 -4.834 -0.372 -3.168 69 1HD2 LEU 8 1HD2 LEU 8 -4.881 1.947 -4.833 70 2HD2 LEU 8 2HD2 LEU 8 -4.824 3.215 -3.586 71 3HD2 LEU 8 3HD2 LEU 8 -3.846 1.740 -3.400 72 H SER 9 H SER 9 -8.154 4.495 -4.340 73 HA SER 9 HA SER 9 -6.871 5.601 -2.114 74 1HB SER 9 1HB SER 9 -6.519 6.510 -4.349 75 2HB SER 9 2HB SER 9 -8.226 6.860 -4.534 76 HG SER 9 HG SER 9 -8.074 8.461 -2.880 77 H GLN 10 H GLN 10 -10.087 4.666 -2.585 78 HA GLN 10 HA GLN 10 -11.248 6.884 -1.191 79 1HB GLN 10 1HB GLN 10 -12.617 4.248 -1.827 80 2HB GLN 10 2HB GLN 10 -13.356 5.821 -1.605 81 1HG GLN 10 1HG GLN 10 -11.431 5.148 -3.880 82 2HG GLN 10 2HG GLN 10 -13.177 5.093 -4.028 83 1HE2 GLN 10 1HE2 GLN 10 -14.110 7.214 -2.751 84 2HE2 GLN 10 2HE2 GLN 10 -13.530 8.705 -3.414 85 H TYR 11 H TYR 11 -9.931 3.678 -0.516 86 HA TYR 11 HA TYR 11 -11.049 3.767 2.191 87 1HB TYR 11 1HB TYR 11 -9.365 1.588 0.846 88 2HB TYR 11 2HB TYR 11 -10.529 1.378 2.139 89 HD1 TYR 11 1HD TYR 11 -12.548 3.336 0.518 90 HD2 TYR 11 2HD TYR 11 -10.471 -0.306 -0.336 91 HE1 TYR 11 1HE TYR 11 -14.326 2.713 -1.189 92 HE2 TYR 11 2HE TYR 11 -12.257 -0.917 -2.039 93 HH TYR 11 HH TYR 11 -13.882 0.154 -3.402 94 H ASN 12 H ASN 12 -9.406 5.714 2.367 95 HA ASN 12 HA ASN 12 -6.796 4.591 3.006 96 1HB ASN 12 1HB ASN 12 -5.827 6.615 2.359 97 2HB ASN 12 2HB ASN 12 -7.253 6.665 1.341 98 1HD2 ASN 12 1HD2 ASN 12 -9.247 7.593 2.422 99 2HD2 ASN 12 2HD2 ASN 12 -9.047 9.042 3.350 100 H GLY 13 H GLY 13 -9.613 4.989 4.496 101 1HA GLY 13 1HA GLY 13 -10.240 5.278 6.638 102 2HA GLY 13 2HA GLY 13 -8.549 5.379 7.085 103 H THR 14 H THR 14 -11.444 7.202 6.130 104 HA THR 14 HA THR 14 -10.880 9.423 7.623 105 HB THR 14 HB THR 14 -9.157 9.292 5.335 106 HG1 THR 14 1HG THR 14 -10.022 11.496 7.071 107 1HG2 THR 14 1HG2 THR 14 -9.706 11.285 4.099 108 2HG2 THR 14 2HG2 THR 14 -11.221 10.352 4.146 109 3HG2 THR 14 3HG2 THR 14 -10.990 11.731 5.248 110 H ASP 15 H ASP 15 -12.241 8.128 4.580 111 HA ASP 15 HA ASP 15 -14.163 10.034 4.201 112 1HB ASP 15 1HB ASP 15 -13.461 7.585 3.065 113 2HB ASP 15 2HB ASP 15 -15.055 7.244 3.709 114 H GLU 16 H GLU 16 -16.643 8.424 4.224 115 HA GLU 16 HA GLU 16 -17.214 8.678 7.033 116 1HB GLU 16 1HB GLU 16 -18.770 8.693 4.495 117 2HB GLU 16 2HB GLU 16 -19.594 7.948 5.850 118 1HG GLU 16 1HG GLU 16 -20.098 10.009 6.642 119 2HG GLU 16 2HG GLU 16 -18.391 10.303 6.904 120 H SER 17 H SER 17 -17.700 6.220 4.393 121 HA SER 17 HA SER 17 -17.402 4.202 6.467 122 1HB SER 17 1HB SER 17 -19.693 4.645 4.631 123 2HB SER 17 2HB SER 17 -19.112 2.991 4.652 124 HG SER 17 HG SER 17 -19.289 4.066 7.216 125 H LYS 18 H LYS 18 -15.147 4.746 5.273 126 HA LYS 18 HA LYS 18 -14.958 2.859 3.028 127 1HB LYS 18 1HB LYS 18 -13.580 5.520 3.439 128 2HB LYS 18 2HB LYS 18 -12.972 4.311 2.327 129 1HG LYS 18 1HG LYS 18 -15.829 5.386 2.242 130 2HG LYS 18 2HG LYS 18 -14.520 6.048 1.283 131 1HD LYS 18 1HD LYS 18 -14.762 4.410 -0.265 132 2HD LYS 18 2HD LYS 18 -14.515 3.173 0.952 133 1HE LYS 18 1HE LYS 18 -16.754 2.724 1.126 134 2HE LYS 18 2HE LYS 18 -17.192 4.420 1.133 135 1HZ LYS 18 1HZ LYS 18 -17.523 2.721 -0.928 136 2HZ LYS 18 2HZ LYS 18 -17.596 4.349 -1.025 137 3HZ LYS 18 3HZ LYS 18 -16.207 3.571 -1.387 138 HA PRO 19 HA PRO 19 -12.234 0.796 5.689 139 1HB PRO 19 1HB PRO 19 -11.278 -1.081 3.947 140 2HB PRO 19 2HB PRO 19 -12.805 -1.246 4.791 141 1HG PRO 19 1HG PRO 19 -12.318 -0.561 1.957 142 2HG PRO 19 2HG PRO 19 -13.791 -1.141 2.708 143 1HD PRO 19 1HD PRO 19 -13.217 1.554 1.911 144 2HD PRO 19 2HD PRO 19 -14.640 0.995 2.767 145 H ILE 20 H ILE 20 -9.828 -0.343 5.348 146 HA ILE 20 HA ILE 20 -8.264 1.890 4.253 147 HB ILE 20 HB ILE 20 -7.523 0.287 6.695 148 1HG1 ILE 20 1HG1 ILE 20 -8.233 3.003 7.312 149 2HG1 ILE 20 2HG1 ILE 20 -9.581 2.238 6.494 150 1HG2 ILE 20 1HG2 ILE 20 -6.320 2.546 5.171 151 2HG2 ILE 20 2HG2 ILE 20 -6.173 2.569 6.944 152 3HG2 ILE 20 3HG2 ILE 20 -5.547 1.185 6.017 153 1HD1 ILE 20 1HD1 ILE 20 -9.561 1.933 9.018 154 2HD1 ILE 20 2HD1 ILE 20 -9.635 0.413 8.095 155 3HD1 ILE 20 3HD1 ILE 20 -8.098 0.939 8.821 156 H TYR 21 H TYR 21 -7.553 1.070 2.331 157 HA TYR 21 HA TYR 21 -6.298 -1.590 2.465 158 1HB TYR 21 1HB TYR 21 -7.977 -0.055 0.414 159 2HB TYR 21 2HB TYR 21 -6.893 -1.313 -0.144 160 HD1 TYR 21 1HD TYR 21 -9.446 -1.886 -0.947 161 HD2 TYR 21 2HD TYR 21 -7.877 -2.386 3.002 162 HE1 TYR 21 1HE TYR 21 -11.224 -3.636 -0.454 163 HE2 TYR 21 2HE TYR 21 -9.660 -4.133 3.482 164 HH TYR 21 HH TYR 21 -11.278 -5.318 2.673 165 H VAL 22 H VAL 22 -4.195 -1.769 1.768 166 HA VAL 22 HA VAL 22 -3.025 0.689 0.660 167 HB VAL 22 HB VAL 22 -1.603 -1.458 2.233 168 1HG1 VAL 22 1HG1 VAL 22 0.261 -0.197 2.051 169 2HG1 VAL 22 2HG1 VAL 22 -0.574 0.515 0.649 170 3HG1 VAL 22 3HG1 VAL 22 -0.630 1.334 2.229 171 1HG2 VAL 22 1HG2 VAL 22 -2.572 1.184 3.357 172 2HG2 VAL 22 2HG2 VAL 22 -3.478 -0.338 3.532 173 3HG2 VAL 22 3HG2 VAL 22 -1.847 -0.188 4.230 174 H ALA 23 H ALA 23 -1.472 0.461 -1.051 175 HA ALA 23 HA ALA 23 -1.757 -2.106 -2.450 176 1HB ALA 23 1HB ALA 23 -1.072 -0.596 -4.449 177 2HB ALA 23 2HB ALA 23 -2.719 -0.424 -3.796 178 3HB ALA 23 3HB ALA 23 -1.464 0.764 -3.370 179 H ILE 24 H ILE 24 0.054 -3.311 -2.864 180 HA ILE 24 HA ILE 24 2.637 -1.981 -2.570 181 HB ILE 24 HB ILE 24 1.617 -4.308 -0.979 182 1HG1 ILE 24 1HG1 ILE 24 2.927 -1.662 -0.404 183 2HG1 ILE 24 2HG1 ILE 24 1.435 -2.322 0.235 184 1HG2 ILE 24 1HG2 ILE 24 3.599 -5.173 -2.067 185 2HG2 ILE 24 2HG2 ILE 24 4.522 -3.722 -1.609 186 3HG2 ILE 24 3HG2 ILE 24 3.944 -4.842 -0.353 187 1HD1 ILE 24 1HD1 ILE 24 2.771 -4.092 1.439 188 2HD1 ILE 24 2HD1 ILE 24 4.257 -3.297 0.867 189 3HD1 ILE 24 3HD1 ILE 24 3.155 -2.436 1.968 190 H LYS 25 H LYS 25 3.527 -2.192 -4.554 191 HA LYS 25 HA LYS 25 4.317 -3.141 -6.385 192 1HB LYS 25 1HB LYS 25 3.710 -5.775 -5.008 193 2HB LYS 25 2HB LYS 25 4.666 -5.590 -6.464 194 1HG LYS 25 1HG LYS 25 6.496 -4.801 -5.324 195 2HG LYS 25 2HG LYS 25 5.528 -3.804 -4.256 196 1HD LYS 25 1HD LYS 25 6.266 -5.386 -2.723 197 2HD LYS 25 2HD LYS 25 4.783 -6.164 -3.238 198 1HE LYS 25 1HE LYS 25 6.849 -7.671 -3.218 199 2HE LYS 25 2HE LYS 25 5.952 -7.659 -4.723 200 1HZ LYS 25 1HZ LYS 25 8.022 -5.677 -4.500 201 2HZ LYS 25 2HZ LYS 25 8.540 -7.223 -4.575 202 3HZ LYS 25 3HZ LYS 25 7.610 -6.614 -5.771 203 H GLY 26 H GLY 26 1.267 -2.735 -5.632 204 1HA GLY 26 1HA GLY 26 -0.370 -2.463 -7.292 205 2HA GLY 26 2HA GLY 26 0.313 -3.796 -8.201 206 H ARG 27 H ARG 27 0.198 -4.388 -4.781 207 HA ARG 27 HA ARG 27 -2.195 -5.984 -5.227 208 1HB ARG 27 1HB ARG 27 0.298 -6.902 -4.513 209 2HB ARG 27 2HB ARG 27 -0.393 -6.642 -2.924 210 1HG ARG 27 1HG ARG 27 -2.496 -7.922 -3.985 211 2HG ARG 27 2HG ARG 27 -1.291 -8.541 -5.096 212 1HD ARG 27 1HD ARG 27 -0.110 -8.764 -2.514 213 2HD ARG 27 2HD ARG 27 -1.771 -9.282 -2.307 214 HE ARG 27 HE ARG 27 -0.585 -10.449 -4.692 215 1HH1 ARG 27 2HH2 ARG 27 -0.773 -10.763 -1.192 216 2HH1 ARG 27 1HH2 ARG 27 -0.412 -12.457 -1.197 217 1HH2 ARG 27 2HH1 ARG 27 -0.110 -12.684 -4.699 218 2HH2 ARG 27 1HH1 ARG 27 -0.033 -13.557 -3.205 219 H VAL 28 H VAL 28 -3.972 -5.530 -3.934 220 HA VAL 28 HA VAL 28 -3.704 -3.394 -2.028 221 HB VAL 28 HB VAL 28 -5.983 -5.000 -3.164 222 1HG1 VAL 28 1HG1 VAL 28 -5.996 -3.112 -0.814 223 2HG1 VAL 28 2HG1 VAL 28 -7.420 -3.262 -1.871 224 3HG1 VAL 28 3HG1 VAL 28 -6.802 -4.688 -1.002 225 1HG2 VAL 28 1HG2 VAL 28 -5.697 -3.410 -4.736 226 2HG2 VAL 28 2HG2 VAL 28 -6.525 -2.348 -3.572 227 3HG2 VAL 28 3HG2 VAL 28 -4.747 -2.365 -3.653 228 H PHE 29 H PHE 29 -3.292 -3.646 0.103 229 HA PHE 29 HA PHE 29 -3.797 -6.315 1.219 230 1HB PHE 29 1HB PHE 29 -1.690 -4.133 1.624 231 2HB PHE 29 2HB PHE 29 -1.969 -5.306 2.896 232 HD1 PHE 29 1HD PHE 29 -1.907 -7.832 2.092 233 HD2 PHE 29 2HD PHE 29 -0.083 -4.601 0.033 234 HE1 PHE 29 1HE PHE 29 -0.350 -9.437 0.953 235 HE2 PHE 29 2HE PHE 29 1.475 -6.206 -1.106 236 HZ PHE 29 HZ PHE 29 1.323 -8.605 -0.632 237 H ASP 30 H ASP 30 -4.352 -6.357 3.572 238 HA ASP 30 HA ASP 30 -6.061 -4.084 4.138 239 1HB ASP 30 1HB ASP 30 -7.411 -5.947 4.406 240 2HB ASP 30 2HB ASP 30 -6.065 -6.999 4.795 241 H VAL 31 H VAL 31 -5.466 -2.673 5.804 242 HA VAL 31 HA VAL 31 -3.529 -3.679 7.767 243 HB VAL 31 HB VAL 31 -2.314 -1.646 7.671 244 1HG1 VAL 31 1HG1 VAL 31 -2.580 -1.926 4.742 245 2HG1 VAL 31 2HG1 VAL 31 -1.159 -2.132 5.794 246 3HG1 VAL 31 3HG1 VAL 31 -2.336 -3.455 5.621 247 1HG2 VAL 31 1HG2 VAL 31 -3.674 0.160 7.376 248 2HG2 VAL 31 2HG2 VAL 31 -3.094 -0.001 5.701 249 3HG2 VAL 31 3HG2 VAL 31 -4.685 -0.655 6.159 250 H THR 32 H THR 32 -6.646 -2.899 7.298 251 HA THR 32 HA THR 32 -7.275 -0.842 9.020 252 HB THR 32 HB THR 32 -9.153 -1.587 7.895 253 HG1 THR 32 1HG THR 32 -10.341 -3.023 9.399 254 1HG2 THR 32 1HG2 THR 32 -9.538 -4.222 7.760 255 2HG2 THR 32 2HG2 THR 32 -8.414 -3.439 6.623 256 3HG2 THR 32 3HG2 THR 32 -7.784 -4.289 8.054 257 H THR 33 H THR 33 -6.005 -4.037 9.750 258 HA THR 33 HA THR 33 -6.931 -4.318 12.357 259 HB THR 33 HB THR 33 -5.118 -5.945 12.518 260 HG1 THR 33 1HG THR 33 -3.401 -5.707 10.816 261 1HG2 THR 33 1HG2 THR 33 -6.738 -5.775 10.127 262 2HG2 THR 33 2HG2 THR 33 -5.103 -6.297 9.653 263 3HG2 THR 33 3HG2 THR 33 -6.021 -7.229 10.860 264 H GLY 34 H GLY 34 -5.083 -1.785 11.074 265 1HA GLY 34 1HA GLY 34 -4.486 -0.849 13.765 266 2HA GLY 34 2HA GLY 34 -3.104 -1.116 12.721 267 H LYS 35 H LYS 35 -6.441 0.083 11.940 268 HA LYS 35 HA LYS 35 -5.661 1.939 10.096 269 1HB LYS 35 1HB LYS 35 -7.853 2.497 10.024 270 2HB LYS 35 2HB LYS 35 -8.021 1.047 10.993 271 1HG LYS 35 1HG LYS 35 -7.664 2.651 13.051 272 2HG LYS 35 2HG LYS 35 -8.031 3.939 11.921 273 1HD LYS 35 1HD LYS 35 -10.125 2.403 11.307 274 2HD LYS 35 2HD LYS 35 -9.819 1.695 12.881 275 1HE LYS 35 1HE LYS 35 -9.813 4.115 13.810 276 2HE LYS 35 2HE LYS 35 -10.453 4.610 12.256 277 1HZ LYS 35 1HZ LYS 35 -11.697 2.925 14.275 278 2HZ LYS 35 2HZ LYS 35 -12.325 4.194 13.461 279 3HZ LYS 35 3HZ LYS 35 -12.145 2.753 12.714 280 H SER 36 H SER 36 -5.314 2.008 13.586 281 HA SER 36 HA SER 36 -5.277 4.716 14.007 282 1HB SER 36 1HB SER 36 -4.223 2.295 15.364 283 2HB SER 36 2HB SER 36 -3.350 3.762 15.756 284 HG SER 36 HG SER 36 -5.009 4.456 16.922 285 H PHE 37 H PHE 37 -3.142 2.726 12.143 286 HA PHE 37 HA PHE 37 -1.032 4.754 12.297 287 1HB PHE 37 1HB PHE 37 -1.132 1.873 11.214 288 2HB PHE 37 2HB PHE 37 0.313 2.865 11.229 289 HD1 PHE 37 1HD PHE 37 0.637 3.972 13.760 290 HD2 PHE 37 2HD PHE 37 -1.131 0.231 12.817 291 HE1 PHE 37 1HE PHE 37 1.191 3.130 16.059 292 HE2 PHE 37 2HE PHE 37 -0.577 -0.611 15.115 293 HZ PHE 37 HZ PHE 37 0.578 0.849 16.709 294 H TYR 38 H TYR 38 -3.081 2.799 10.053 295 HA TYR 38 HA TYR 38 -2.119 4.403 7.818 296 1HB TYR 38 1HB TYR 38 -3.314 1.754 8.403 297 2HB TYR 38 2HB TYR 38 -4.200 2.550 7.118 298 HD1 TYR 38 1HD TYR 38 -1.463 0.460 7.846 299 HD2 TYR 38 2HD TYR 38 -2.675 3.590 5.192 300 HE1 TYR 38 1HE TYR 38 0.303 -0.268 6.168 301 HE2 TYR 38 2HE TYR 38 -0.905 2.851 3.524 302 HH TYR 38 HH TYR 38 1.490 1.497 3.923 303 H GLY 39 H GLY 39 -5.083 3.705 9.737 304 1HA GLY 39 1HA GLY 39 -7.023 4.893 8.230 305 2HA GLY 39 2HA GLY 39 -6.972 4.907 9.981 306 H SER 40 H SER 40 -8.177 7.068 9.087 307 HA SER 40 HA SER 40 -6.992 9.150 8.012 308 1HB SER 40 1HB SER 40 -8.666 10.417 8.959 309 2HB SER 40 2HB SER 40 -9.285 8.832 9.380 310 HG SER 40 HG SER 40 -9.164 10.459 11.167 311 H GLY 41 H GLY 41 -5.334 10.620 8.439 312 1HA GLY 41 1HA GLY 41 -3.325 11.184 9.344 313 2HA GLY 41 2HA GLY 41 -4.345 11.601 10.706 314 H GLY 42 H GLY 42 -2.344 8.991 9.253 315 1HA GLY 42 1HA GLY 42 -1.780 8.023 11.971 316 2HA GLY 42 2HA GLY 42 -2.363 6.890 10.767 317 H ASP 43 H ASP 43 0.012 6.170 11.681 318 HA ASP 43 HA ASP 43 2.283 7.332 10.917 319 1HB ASP 43 1HB ASP 43 1.516 4.382 10.769 320 2HB ASP 43 2HB ASP 43 3.167 4.937 10.577 321 H TYR 44 H TYR 44 0.215 5.080 8.937 322 HA TYR 44 HA TYR 44 1.777 5.772 6.567 323 1HB TYR 44 1HB TYR 44 -0.608 3.878 6.748 324 2HB TYR 44 2HB TYR 44 0.811 3.721 5.732 325 HD1 TYR 44 1HD TYR 44 3.109 3.522 7.197 326 HD2 TYR 44 2HD TYR 44 -0.802 2.363 8.487 327 HE1 TYR 44 1HE TYR 44 4.133 1.920 8.885 328 HE2 TYR 44 2HE TYR 44 0.235 0.765 10.171 329 HH TYR 44 HH TYR 44 3.640 0.797 10.824 330 H SER 45 H SER 45 0.544 8.035 7.208 331 HA SER 45 HA SER 45 -2.134 8.131 6.344 332 1HB SER 45 1HB SER 45 -0.025 10.124 7.136 333 2HB SER 45 2HB SER 45 -1.401 10.724 6.233 334 HG SER 45 HG SER 45 -1.514 10.635 8.704 335 H MET 46 H MET 46 1.073 8.546 4.840 336 HA MET 46 HA MET 46 -0.043 9.669 2.464 337 1HB MET 46 1HB MET 46 2.394 9.358 1.668 338 2HB MET 46 2HB MET 46 2.198 10.370 3.085 339 1HG MET 46 1HG MET 46 2.529 7.462 3.673 340 2HG MET 46 2HG MET 46 3.925 8.222 2.936 341 1HE MET 46 1HE MET 46 4.590 11.251 5.168 342 2HE MET 46 2HE MET 46 4.149 10.809 3.501 343 3HE MET 46 3HE MET 46 2.910 11.443 4.611 344 H PHE 47 H PHE 47 0.613 6.486 3.769 345 HA PHE 47 HA PHE 47 0.758 5.232 1.183 346 1HB PHE 47 1HB PHE 47 0.394 4.156 4.045 347 2HB PHE 47 2HB PHE 47 0.843 3.178 2.662 348 HD1 PHE 47 1HD PHE 47 2.526 2.978 4.930 349 HD2 PHE 47 2HD PHE 47 2.574 5.949 1.900 350 HE1 PHE 47 1HE PHE 47 4.951 3.421 5.403 351 HE2 PHE 47 2HE PHE 47 4.999 6.392 2.373 352 HZ PHE 47 HZ PHE 47 6.158 5.122 4.119 353 H ALA 48 H ALA 48 -1.638 5.806 3.785 354 HA ALA 48 HA ALA 48 -3.557 3.984 3.171 355 1HB ALA 48 1HB ALA 48 -3.788 6.900 4.005 356 2HB ALA 48 2HB ALA 48 -5.153 5.758 4.011 357 3HB ALA 48 3HB ALA 48 -3.747 5.469 5.063 358 H GLY 49 H GLY 49 -5.067 3.654 1.562 359 1HA GLY 49 1HA GLY 49 -5.939 3.787 -0.508 360 2HA GLY 49 2HA GLY 49 -6.148 5.491 -0.155 361 H LYS 50 H LYS 50 -2.954 3.868 -0.307 362 HA LYS 50 HA LYS 50 -2.482 4.724 -2.999 363 1HB LYS 50 1HB LYS 50 -1.120 6.171 -0.709 364 2HB LYS 50 2HB LYS 50 -0.575 6.225 -2.374 365 1HG LYS 50 1HG LYS 50 -2.994 6.986 -2.966 366 2HG LYS 50 2HG LYS 50 -3.215 7.241 -1.247 367 1HD LYS 50 1HD LYS 50 -2.498 9.363 -1.994 368 2HD LYS 50 2HD LYS 50 -1.021 8.660 -1.366 369 1HE LYS 50 1HE LYS 50 -0.506 7.854 -3.747 370 2HE LYS 50 2HE LYS 50 -1.875 8.801 -4.294 371 1HZ LYS 50 1HZ LYS 50 -0.766 10.695 -3.970 372 2HZ LYS 50 2HZ LYS 50 -0.018 10.198 -2.606 373 3HZ LYS 50 3HZ LYS 50 0.569 9.760 -4.065 374 H ASP 51 H ASP 51 -0.466 3.856 -3.836 375 HA ASP 51 HA ASP 51 0.264 1.512 -2.348 376 1HB ASP 51 1HB ASP 51 -0.208 1.352 -4.777 377 2HB ASP 51 2HB ASP 51 1.051 2.521 -5.121 378 H ALA 52 H ALA 52 1.681 2.250 -0.666 379 HA ALA 52 HA ALA 52 3.812 4.079 -1.341 380 1HB ALA 52 1HB ALA 52 3.406 2.625 1.286 381 2HB ALA 52 2HB ALA 52 4.156 4.213 0.994 382 3HB ALA 52 3HB ALA 52 2.395 4.016 0.827 383 H SER 53 H SER 53 4.120 1.940 -2.995 384 HA SER 53 HA SER 53 5.668 -0.087 -1.779 385 1HB SER 53 1HB SER 53 6.134 -0.730 -4.199 386 2HB SER 53 2HB SER 53 4.440 -0.676 -3.753 387 HG SER 53 HG SER 53 4.148 1.229 -4.883 388 H ARG 54 H ARG 54 6.338 2.805 -3.858 389 HA ARG 54 HA ARG 54 9.062 2.365 -4.029 390 1HB ARG 54 1HB ARG 54 7.875 5.159 -4.003 391 2HB ARG 54 2HB ARG 54 9.167 4.535 -5.010 392 1HG ARG 54 1HG ARG 54 7.005 2.878 -5.670 393 2HG ARG 54 2HG ARG 54 6.243 4.439 -5.435 394 1HD ARG 54 1HD ARG 54 8.639 3.904 -7.259 395 2HD ARG 54 2HD ARG 54 6.986 4.122 -7.799 396 HE ARG 54 HE ARG 54 7.490 6.403 -6.288 397 1HH1 ARG 54 2HH2 ARG 54 9.048 4.871 -9.046 398 2HH1 ARG 54 1HH2 ARG 54 9.654 6.359 -9.692 399 1HH2 ARG 54 2HH1 ARG 54 8.289 8.367 -7.141 400 2HH2 ARG 54 1HH1 ARG 54 9.219 8.361 -8.602 401 H ALA 55 H ALA 55 7.057 4.385 -1.781 402 HA ALA 55 HA ALA 55 9.154 5.525 -0.364 403 1HB ALA 55 1HB ALA 55 6.680 4.821 1.129 404 2HB ALA 55 2HB ALA 55 7.469 6.400 0.899 405 3HB ALA 55 3HB ALA 55 6.435 5.726 -0.384 406 H LEU 56 H LEU 56 7.454 2.370 -0.009 407 HA LEU 56 HA LEU 56 8.573 1.639 2.422 408 1HB LEU 56 1HB LEU 56 7.232 0.305 0.155 409 2HB LEU 56 2HB LEU 56 8.242 -0.730 1.145 410 HG LEU 56 HG LEU 56 6.962 -0.279 3.107 411 1HD1 LEU 56 1HD1 LEU 56 6.469 2.210 1.962 412 2HD1 LEU 56 2HD1 LEU 56 4.872 1.427 2.027 413 3HD1 LEU 56 3HD1 LEU 56 5.841 1.598 3.511 414 1HD2 LEU 56 1HD2 LEU 56 5.920 -1.542 0.873 415 2HD2 LEU 56 2HD2 LEU 56 5.313 -1.665 2.542 416 3HD2 LEU 56 3HD2 LEU 56 4.594 -0.487 1.418 417 H GLY 57 H GLY 57 9.836 1.505 -0.924 418 1HA GLY 57 1HA GLY 57 12.054 -0.149 -0.421 419 2HA GLY 57 2HA GLY 57 11.871 0.997 -1.734 420 H LYS 58 H LYS 58 12.406 3.315 -1.332 421 HA LYS 58 HA LYS 58 14.853 3.587 -0.062 422 1HB LYS 58 1HB LYS 58 12.881 5.788 -0.736 423 2HB LYS 58 2HB LYS 58 14.611 5.957 -0.517 424 1HG LYS 58 1HG LYS 58 15.109 5.051 -2.583 425 2HG LYS 58 2HG LYS 58 13.795 3.893 -2.515 426 1HD LYS 58 1HD LYS 58 12.501 6.404 -2.627 427 2HD LYS 58 2HD LYS 58 13.853 6.568 -3.730 428 1HE LYS 58 1HE LYS 58 12.647 3.959 -4.129 429 2HE LYS 58 2HE LYS 58 11.381 5.171 -4.165 430 1HZ LYS 58 1HZ LYS 58 13.839 5.664 -5.641 431 2HZ LYS 58 2HZ LYS 58 12.727 4.648 -6.273 432 3HZ LYS 58 3HZ LYS 58 12.326 6.197 -5.948 433 H MET 59 H MET 59 11.562 3.702 1.180 434 HA MET 59 HA MET 59 10.796 3.819 3.215 435 1HB MET 59 1HB MET 59 13.718 3.942 4.149 436 2HB MET 59 2HB MET 59 12.343 3.532 5.157 437 1HG MET 59 1HG MET 59 12.330 1.367 4.435 438 2HG MET 59 2HG MET 59 12.428 1.844 2.751 439 1HE MET 59 1HE MET 59 14.596 1.021 6.028 440 2HE MET 59 2HE MET 59 13.800 -0.248 5.066 441 3HE MET 59 3HE MET 59 15.576 -0.133 5.092 442 H SER 60 H SER 60 10.732 6.157 1.842 443 HA SER 60 HA SER 60 11.799 8.142 3.679 444 1HB SER 60 1HB SER 60 12.148 8.109 1.038 445 2HB SER 60 2HB SER 60 10.552 8.833 1.016 446 HG SER 60 HG SER 60 11.361 10.693 1.721 447 H LYS 61 H LYS 61 8.924 6.494 2.669 448 HA LYS 61 HA LYS 61 6.783 6.718 3.157 449 1HB LYS 61 1HB LYS 61 7.702 8.561 5.383 450 2HB LYS 61 2HB LYS 61 6.164 7.728 5.286 451 1HG LYS 61 1HG LYS 61 7.054 5.770 6.045 452 2HG LYS 61 2HG LYS 61 8.411 5.863 4.940 453 1HD LYS 61 1HD LYS 61 9.447 7.610 6.502 454 2HD LYS 61 2HD LYS 61 8.160 7.265 7.640 455 1HE LYS 61 1HE LYS 61 9.596 4.862 6.591 456 2HE LYS 61 2HE LYS 61 10.567 5.931 7.585 457 1HZ LYS 61 1HZ LYS 61 9.482 4.370 8.966 458 2HZ LYS 61 2HZ LYS 61 8.778 5.817 9.247 459 3HZ LYS 61 3HZ LYS 61 8.010 4.699 8.338 460 H ASN 62 H ASN 62 8.419 8.818 1.476 461 HA ASN 62 HA ASN 62 7.122 11.235 1.703 462 1HB ASN 62 1HB ASN 62 8.517 9.797 -0.589 463 2HB ASN 62 2HB ASN 62 7.763 11.354 -0.869 464 1HD2 ASN 62 1HD2 ASN 62 9.432 12.674 -1.102 465 2HD2 ASN 62 2HD2 ASN 62 10.689 12.954 0.057 466 H GLU 63 H GLU 63 5.200 12.064 0.689 467 HA GLU 63 HA GLU 63 3.277 10.115 0.033 468 1HB GLU 63 1HB GLU 63 3.141 12.631 1.040 469 2HB GLU 63 2HB GLU 63 2.801 12.999 -0.639 470 1HG GLU 63 1HG GLU 63 1.275 10.654 0.067 471 2HG GLU 63 2HG GLU 63 1.037 11.844 1.332 472 H GLU 64 H GLU 64 5.687 11.876 -1.762 473 HA GLU 64 HA GLU 64 4.241 11.594 -4.234 474 1HB GLU 64 1HB GLU 64 7.104 12.559 -3.914 475 2HB GLU 64 2HB GLU 64 5.990 12.908 -5.222 476 1HG GLU 64 1HG GLU 64 4.904 13.703 -2.595 477 2HG GLU 64 2HG GLU 64 6.426 14.498 -2.947 478 H ASP 65 H ASP 65 6.570 9.886 -2.272 479 HA ASP 65 HA ASP 65 7.856 8.530 -4.362 480 1HB ASP 65 1HB ASP 65 7.609 8.246 -1.377 481 2HB ASP 65 2HB ASP 65 8.155 6.832 -2.258 482 H VAL 66 H VAL 66 5.148 7.766 -2.061 483 HA VAL 66 HA VAL 66 4.646 5.177 -2.726 484 HB VAL 66 HB VAL 66 3.317 5.805 -1.037 485 1HG1 VAL 66 1HG1 VAL 66 3.430 8.498 -2.323 486 2HG1 VAL 66 2HG1 VAL 66 2.080 8.169 -1.209 487 3HG1 VAL 66 3HG1 VAL 66 3.760 8.013 -0.642 488 1HG2 VAL 66 1HG2 VAL 66 1.858 5.243 -3.238 489 2HG2 VAL 66 2HG2 VAL 66 1.141 5.555 -1.639 490 3HG2 VAL 66 3HG2 VAL 66 1.210 6.855 -2.852 491 H SER 67 H SER 67 4.273 4.161 -4.621 492 HA SER 67 HA SER 67 2.684 5.611 -6.572 493 1HB SER 67 1HB SER 67 5.369 5.452 -6.911 494 2HB SER 67 2HB SER 67 4.927 3.905 -7.607 495 HG SER 67 HG SER 67 4.386 6.530 -8.531 496 HA PRO 68 HA PRO 68 0.715 1.717 -6.662 497 1HB PRO 68 1HB PRO 68 -1.015 2.140 -8.735 498 2HB PRO 68 2HB PRO 68 -1.329 2.683 -7.099 499 1HG PRO 68 1HG PRO 68 -0.501 4.270 -9.451 500 2HG PRO 68 2HG PRO 68 -1.220 4.823 -7.952 501 1HD PRO 68 1HD PRO 68 1.539 5.025 -8.708 502 2HD PRO 68 2HD PRO 68 0.840 5.472 -7.165 503 H SER 69 H SER 69 3.082 2.599 -8.591 504 HA SER 69 HA SER 69 3.015 0.008 -9.861 505 1HB SER 69 1HB SER 69 2.963 0.736 -12.022 506 2HB SER 69 2HB SER 69 2.209 2.163 -11.339 507 HG SER 69 HG SER 69 3.888 3.298 -11.999 508 H LEU 70 H LEU 70 5.067 -0.937 -9.907 509 HA LEU 70 HA LEU 70 7.170 0.610 -8.657 510 1HB LEU 70 1HB LEU 70 8.333 -1.556 -8.558 511 2HB LEU 70 2HB LEU 70 6.775 -1.548 -7.756 512 HG LEU 70 HG LEU 70 5.814 -2.996 -9.266 513 1HD1 LEU 70 1HD1 LEU 70 6.576 -3.386 -11.564 514 2HD1 LEU 70 2HD1 LEU 70 6.216 -1.668 -11.270 515 3HD1 LEU 70 3HD1 LEU 70 7.905 -2.227 -11.321 516 1HD2 LEU 70 1HD2 LEU 70 8.551 -3.627 -8.534 517 2HD2 LEU 70 2HD2 LEU 70 7.100 -4.658 -8.542 518 3HD2 LEU 70 3HD2 LEU 70 8.060 -4.462 -10.027 519 H GLU 71 H GLU 71 6.141 1.151 -11.471 520 HA GLU 71 HA GLU 71 8.109 0.206 -13.227 521 1HB GLU 71 1HB GLU 71 5.890 2.217 -13.308 522 2HB GLU 71 2HB GLU 71 7.154 2.410 -14.507 523 1HG GLU 71 1HG GLU 71 6.797 -0.243 -14.799 524 2HG GLU 71 2HG GLU 71 5.216 0.127 -14.138 525 H GLY 72 H GLY 72 9.809 0.844 -11.367 526 1HA GLY 72 1HA GLY 72 11.631 2.586 -12.361 527 2HA GLY 72 2HA GLY 72 10.607 3.615 -11.379 528 H LEU 73 H LEU 73 9.935 1.266 -9.527 529 HA LEU 73 HA LEU 73 11.677 1.790 -7.510 530 1HB LEU 73 1HB LEU 73 9.614 -0.139 -8.108 531 2HB LEU 73 2HB LEU 73 10.902 -0.890 -7.188 532 HG LEU 73 HG LEU 73 10.378 1.585 -5.919 533 1HD1 LEU 73 1HD1 LEU 73 7.867 0.164 -6.799 534 2HD1 LEU 73 2HD1 LEU 73 7.926 1.162 -5.326 535 3HD1 LEU 73 3HD1 LEU 73 8.276 1.893 -6.911 536 1HD2 LEU 73 1HD2 LEU 73 9.571 -1.224 -5.117 537 2HD2 LEU 73 2HD2 LEU 73 11.166 -0.479 -4.851 538 3HD2 LEU 73 3HD2 LEU 73 9.727 0.182 -4.037 539 H THR 74 H THR 74 13.854 1.669 -7.467 540 HA THR 74 HA THR 74 15.222 -0.185 -9.190 541 HB THR 74 HB THR 74 17.183 1.047 -8.451 542 HG1 THR 74 1HG THR 74 17.114 2.040 -6.411 543 1HG2 THR 74 1HG2 THR 74 15.963 3.502 -8.092 544 2HG2 THR 74 2HG2 THR 74 16.281 2.779 -9.687 545 3HG2 THR 74 3HG2 THR 74 14.679 2.601 -8.933 546 H GLU 75 H GLU 75 17.402 -1.036 -7.766 547 HA GLU 75 HA GLU 75 16.282 -3.250 -6.470 548 1HB GLU 75 1HB GLU 75 18.906 -2.362 -7.378 549 2HB GLU 75 2HB GLU 75 19.038 -3.093 -5.791 550 1HG GLU 75 1HG GLU 75 17.294 -4.832 -7.113 551 2HG GLU 75 2HG GLU 75 18.392 -4.351 -8.392 552 H LYS 76 H LYS 76 17.922 -0.243 -5.347 553 HA LYS 76 HA LYS 76 18.238 -0.878 -2.696 554 1HB LYS 76 1HB LYS 76 18.737 1.329 -2.410 555 2HB LYS 76 2HB LYS 76 18.871 1.234 -4.155 556 1HG LYS 76 1HG LYS 76 16.621 2.139 -4.455 557 2HG LYS 76 2HG LYS 76 16.285 2.022 -2.739 558 1HD LYS 76 1HD LYS 76 16.907 4.237 -2.747 559 2HD LYS 76 2HD LYS 76 18.521 3.567 -2.618 560 1HE LYS 76 1HE LYS 76 18.899 3.769 -5.008 561 2HE LYS 76 2HE LYS 76 17.208 4.113 -5.316 562 1HZ LYS 76 1HZ LYS 76 19.096 5.829 -3.860 563 2HZ LYS 76 2HZ LYS 76 18.422 6.127 -5.317 564 3HZ LYS 76 3HZ LYS 76 17.495 6.134 -3.973 565 H GLU 77 H GLU 77 15.356 0.606 -4.328 566 HA GLU 77 HA GLU 77 13.874 0.519 -1.922 567 1HB GLU 77 1HB GLU 77 11.946 0.954 -3.713 568 2HB GLU 77 2HB GLU 77 13.088 2.213 -3.287 569 1HG GLU 77 1HG GLU 77 14.106 0.459 -5.434 570 2HG GLU 77 2HG GLU 77 12.595 1.233 -5.870 571 H ILE 78 H ILE 78 14.128 -1.491 -4.896 572 HA ILE 78 HA ILE 78 11.946 -3.134 -4.442 573 HB ILE 78 HB ILE 78 14.528 -3.385 -5.927 574 1HG1 ILE 78 1HG1 ILE 78 12.030 -2.318 -6.508 575 2HG1 ILE 78 2HG1 ILE 78 13.313 -2.670 -7.649 576 1HG2 ILE 78 1HG2 ILE 78 12.484 -5.611 -5.696 577 2HG2 ILE 78 2HG2 ILE 78 13.916 -5.584 -6.753 578 3HG2 ILE 78 3HG2 ILE 78 14.116 -5.622 -4.985 579 1HD1 ILE 78 1HD1 ILE 78 11.231 -3.748 -8.386 580 2HD1 ILE 78 2HD1 ILE 78 12.413 -4.996 -7.925 581 3HD1 ILE 78 3HD1 ILE 78 11.081 -4.582 -6.820 582 H ASN 79 H ASN 79 15.389 -3.469 -3.362 583 HA ASN 79 HA ASN 79 15.191 -5.878 -2.165 584 1HB ASN 79 1HB ASN 79 16.859 -3.431 -1.802 585 2HB ASN 79 2HB ASN 79 16.811 -4.466 -0.389 586 1HD2 ASN 79 1HD2 ASN 79 18.641 -3.786 -2.875 587 2HD2 ASN 79 2HD2 ASN 79 19.329 -5.320 -3.293 588 H THR 80 H THR 80 14.453 -2.583 -0.822 589 HA THR 80 HA THR 80 13.543 -3.688 1.683 590 HB THR 80 HB THR 80 13.579 -0.873 0.473 591 HG1 THR 80 1HG THR 80 15.100 -2.331 2.521 592 1HG2 THR 80 1HG2 THR 80 11.971 -1.583 2.572 593 2HG2 THR 80 2HG2 THR 80 13.514 -1.369 3.433 594 3HG2 THR 80 3HG2 THR 80 12.821 -0.021 2.499 595 H LEU 81 H LEU 81 12.043 -2.055 -1.177 596 HA LEU 81 HA LEU 81 9.444 -2.155 -0.215 597 1HB LEU 81 1HB LEU 81 9.937 -0.749 -2.025 598 2HB LEU 81 2HB LEU 81 10.653 -2.044 -2.963 599 HG LEU 81 HG LEU 81 8.308 -1.130 -3.599 600 1HD1 LEU 81 1HD1 LEU 81 7.808 -3.921 -3.714 601 2HD1 LEU 81 2HD1 LEU 81 8.460 -2.855 -4.981 602 3HD1 LEU 81 3HD1 LEU 81 9.566 -3.685 -3.861 603 1HD2 LEU 81 1HD2 LEU 81 7.516 -1.477 -1.166 604 2HD2 LEU 81 2HD2 LEU 81 6.420 -1.924 -2.495 605 3HD2 LEU 81 3HD2 LEU 81 7.330 -3.185 -1.629 606 H ASN 82 H ASN 82 11.108 -4.442 -2.502 607 HA ASN 82 HA ASN 82 9.121 -6.223 -2.767 608 1HB ASN 82 1HB ASN 82 11.557 -6.202 -3.741 609 2HB ASN 82 2HB ASN 82 12.004 -7.116 -2.313 610 1HD2 ASN 82 1HD2 ASN 82 10.877 -7.257 -5.447 611 2HD2 ASN 82 2HD2 ASN 82 10.304 -8.891 -5.506 612 H ASP 83 H ASP 83 11.391 -5.735 -0.032 613 HA ASP 83 HA ASP 83 10.676 -8.137 1.270 614 1HB ASP 83 1HB ASP 83 12.454 -5.831 1.714 615 2HB ASP 83 2HB ASP 83 11.686 -6.344 3.204 616 H TRP 84 H TRP 84 9.626 -4.719 1.232 617 HA TRP 84 HA TRP 84 8.219 -4.652 3.631 618 1HB TRP 84 1HB TRP 84 8.307 -3.084 1.127 619 2HB TRP 84 2HB TRP 84 6.822 -2.953 2.048 620 HD1 TRP 84 HD TRP 84 10.195 -1.446 1.897 621 HE1 TRP 84 1HE TRP 84 10.782 0.043 3.996 622 HE3 TRP 84 3HE TRP 84 6.373 -3.113 4.806 623 HZ2 TRP 84 2HZ TRP 84 9.609 0.349 6.579 624 HZ3 TRP 84 3HZ TRP 84 6.165 -2.168 7.104 625 HH2 TRP 84 HH TRP 84 7.704 -0.495 8.000 626 H GLU 85 H GLU 85 7.544 -6.068 0.438 627 HA GLU 85 HA GLU 85 4.791 -6.316 0.765 628 1HB GLU 85 1HB GLU 85 5.347 -6.666 -1.437 629 2HB GLU 85 2HB GLU 85 6.886 -7.408 -1.048 630 1HG GLU 85 1HG GLU 85 4.409 -8.939 -0.292 631 2HG GLU 85 2HG GLU 85 4.780 -8.826 -2.001 632 H THR 86 H THR 86 7.520 -8.644 1.337 633 HA THR 86 HA THR 86 5.927 -10.750 2.247 634 HB THR 86 HB THR 86 8.825 -9.893 2.453 635 HG1 THR 86 1HG THR 86 8.830 -12.063 1.335 636 1HG2 THR 86 1HG2 THR 86 9.157 -11.177 4.322 637 2HG2 THR 86 2HG2 THR 86 7.458 -11.708 4.326 638 3HG2 THR 86 3HG2 THR 86 8.659 -12.574 3.337 639 H LYS 87 H LYS 87 7.021 -7.778 3.833 640 HA LYS 87 HA LYS 87 6.400 -8.765 6.450 641 1HB LYS 87 1HB LYS 87 6.940 -5.933 5.507 642 2HB LYS 87 2HB LYS 87 6.926 -6.491 7.168 643 1HG LYS 87 1HG LYS 87 8.917 -7.741 6.914 644 2HG LYS 87 2HG LYS 87 8.734 -7.880 5.177 645 1HD LYS 87 1HD LYS 87 10.484 -6.161 6.259 646 2HD LYS 87 2HD LYS 87 9.650 -5.789 4.763 647 1HE LYS 87 1HE LYS 87 8.077 -4.350 5.853 648 2HE LYS 87 2HE LYS 87 8.434 -5.008 7.438 649 1HZ LYS 87 1HZ LYS 87 9.784 -2.966 6.004 650 2HZ LYS 87 2HZ LYS 87 9.807 -3.300 7.602 651 3HZ LYS 87 3HZ LYS 87 10.816 -4.089 6.588 652 H PHE 88 H PHE 88 4.826 -6.755 3.918 653 HA PHE 88 HA PHE 88 2.568 -6.234 5.607 654 1HB PHE 88 1HB PHE 88 3.694 -5.532 2.940 655 2HB PHE 88 2HB PHE 88 1.954 -5.726 2.880 656 HD1 PHE 88 1HD PHE 88 1.050 -3.602 2.738 657 HD2 PHE 88 2HD PHE 88 4.140 -4.319 5.557 658 HE1 PHE 88 1HE PHE 88 0.759 -1.281 3.648 659 HE2 PHE 88 2HE PHE 88 3.849 -1.998 6.467 660 HZ PHE 88 HZ PHE 88 2.162 -0.506 5.501 661 H GLU 89 H GLU 89 3.424 -8.428 2.885 662 HA GLU 89 HA GLU 89 0.795 -9.368 2.574 663 1HB GLU 89 1HB GLU 89 1.930 -9.870 0.657 664 2HB GLU 89 2HB GLU 89 3.479 -9.953 1.472 665 1HG GLU 89 1HG GLU 89 1.433 -12.141 1.936 666 2HG GLU 89 2HG GLU 89 2.387 -12.153 0.466 667 H ALA 90 H ALA 90 3.580 -10.262 4.608 668 HA ALA 90 HA ALA 90 2.266 -12.703 5.468 669 1HB ALA 90 1HB ALA 90 4.334 -13.187 6.555 670 2HB ALA 90 2HB ALA 90 4.771 -12.447 4.996 671 3HB ALA 90 3HB ALA 90 4.852 -11.486 6.492 672 H LYS 91 H LYS 91 1.231 -9.821 5.929 673 HA LYS 91 HA LYS 91 0.662 -10.260 8.738 674 1HB LYS 91 1HB LYS 91 2.123 -7.848 7.673 675 2HB LYS 91 2HB LYS 91 1.095 -7.721 9.086 676 1HG LYS 91 1HG LYS 91 2.623 -10.058 9.542 677 2HG LYS 91 2HG LYS 91 3.760 -8.929 8.833 678 1HD LYS 91 1HD LYS 91 2.645 -7.213 10.560 679 2HD LYS 91 2HD LYS 91 2.193 -8.680 11.405 680 1HE LYS 91 1HE LYS 91 4.931 -9.018 10.655 681 2HE LYS 91 2HE LYS 91 4.798 -7.382 11.268 682 1HZ LYS 91 1HZ LYS 91 3.551 -8.423 13.170 683 2HZ LYS 91 2HZ LYS 91 4.099 -9.868 12.642 684 3HZ LYS 91 3HZ LYS 91 5.157 -8.715 13.111 685 H TYR 92 H TYR 92 0.251 -7.821 6.069 686 HA TYR 92 HA TYR 92 -2.530 -7.536 6.816 687 1HB TYR 92 1HB TYR 92 -0.640 -6.394 4.667 688 2HB TYR 92 2HB TYR 92 -2.308 -5.877 4.815 689 HD1 TYR 92 1HD TYR 92 0.508 -4.385 5.157 690 HD2 TYR 92 2HD TYR 92 -2.500 -5.807 7.846 691 HE1 TYR 92 1HE TYR 92 1.198 -2.633 6.866 692 HE2 TYR 92 2HE TYR 92 -1.800 -4.050 9.546 693 HH TYR 92 HH TYR 92 1.093 -2.289 9.230 694 HA PRO 93 HA PRO 93 -3.801 -10.446 3.832 695 1HB PRO 93 1HB PRO 93 -6.499 -10.198 4.191 696 2HB PRO 93 2HB PRO 93 -5.489 -11.219 5.195 697 1HG PRO 93 1HG PRO 93 -6.687 -8.594 5.837 698 2HG PRO 93 2HG PRO 93 -6.049 -9.806 6.930 699 1HD PRO 93 1HD PRO 93 -4.773 -7.361 6.145 700 2HD PRO 93 2HD PRO 93 -4.088 -8.626 7.145 701 H VAL 94 H VAL 94 -4.241 -10.545 1.674 702 HA VAL 94 HA VAL 94 -4.743 -7.910 0.542 703 HB VAL 94 HB VAL 94 -2.901 -8.867 -0.455 704 1HG1 VAL 94 1HG1 VAL 94 -4.335 -11.461 -0.041 705 2HG1 VAL 94 2HG1 VAL 94 -3.147 -11.356 -1.362 706 3HG1 VAL 94 3HG1 VAL 94 -2.648 -11.015 0.312 707 1HG2 VAL 94 1HG2 VAL 94 -3.773 -9.840 -2.725 708 2HG2 VAL 94 2HG2 VAL 94 -5.373 -9.390 -2.088 709 3HG2 VAL 94 3HG2 VAL 94 -4.116 -8.147 -2.295 710 H VAL 95 H VAL 95 -6.851 -7.356 0.316 711 HA VAL 95 HA VAL 95 -8.796 -9.470 -0.091 712 HB VAL 95 HB VAL 95 -10.425 -7.693 0.266 713 1HG1 VAL 95 1HG1 VAL 95 -10.059 -8.435 2.361 714 2HG1 VAL 95 2HG1 VAL 95 -8.289 -8.365 2.184 715 3HG1 VAL 95 3HG1 VAL 95 -9.202 -6.891 2.589 716 1HG2 VAL 95 1HG2 VAL 95 -8.769 -5.548 1.164 717 2HG2 VAL 95 2HG2 VAL 95 -8.257 -5.986 -0.483 718 3HG2 VAL 95 3HG2 VAL 95 -9.954 -5.558 -0.164 719 H GLY 96 H GLY 96 -6.645 -7.947 -2.042 720 1HA GLY 96 1HA GLY 96 -7.813 -8.643 -4.433 721 2HA GLY 96 2HA GLY 96 -8.313 -6.987 -4.150 722 H ARG 97 H ARG 97 -6.781 -7.325 -6.347 723 HA ARG 97 HA ARG 97 -4.179 -6.387 -5.438 724 1HB ARG 97 1HB ARG 97 -3.236 -8.095 -6.611 725 2HB ARG 97 2HB ARG 97 -4.813 -8.627 -7.161 726 1HG ARG 97 1HG ARG 97 -4.023 -8.073 -9.239 727 2HG ARG 97 2HG ARG 97 -4.467 -6.441 -8.781 728 1HD ARG 97 1HD ARG 97 -2.293 -5.818 -8.971 729 2HD ARG 97 2HD ARG 97 -1.885 -6.886 -7.643 730 HE ARG 97 HE ARG 97 -2.017 -8.646 -9.739 731 1HH1 ARG 97 2HH2 ARG 97 -0.385 -5.551 -9.366 732 2HH1 ARG 97 1HH2 ARG 97 0.899 -5.952 -10.458 733 1HH2 ARG 97 2HH1 ARG 97 -0.324 -9.176 -11.179 734 2HH2 ARG 97 1HH1 ARG 97 0.934 -8.028 -11.495 735 H VAL 98 H VAL 98 -3.617 -4.355 -6.211 736 HA VAL 98 HA VAL 98 -5.374 -2.687 -7.409 737 HB VAL 98 HB VAL 98 -2.372 -2.796 -7.352 738 1HG1 VAL 98 1HG1 VAL 98 -2.327 -0.472 -8.213 739 2HG1 VAL 98 2HG1 VAL 98 -2.902 -1.640 -9.427 740 3HG1 VAL 98 3HG1 VAL 98 -4.065 -0.593 -8.579 741 1HG2 VAL 98 1HG2 VAL 98 -3.461 -2.329 -5.243 742 2HG2 VAL 98 2HG2 VAL 98 -2.688 -0.841 -5.839 743 3HG2 VAL 98 3HG2 VAL 98 -4.449 -1.051 -5.990 744 H VAL 99 H VAL 99 -5.798 -1.940 -9.546 745 HA VAL 99 HA VAL 99 -4.534 -3.335 -11.734 746 HB VAL 99 HB VAL 99 -6.900 -4.347 -10.615 747 1HG1 VAL 99 1HG1 VAL 99 -8.251 -2.644 -11.636 748 2HG1 VAL 99 2HG1 VAL 99 -7.433 -2.856 -13.203 749 3HG1 VAL 99 3HG1 VAL 99 -8.477 -4.147 -12.562 750 1HG2 VAL 99 1HG2 VAL 99 -5.241 -5.671 -11.788 751 2HG2 VAL 99 2HG2 VAL 99 -6.825 -5.880 -12.574 752 3HG2 VAL 99 3HG2 VAL 99 -5.595 -4.828 -13.315 753 H SER 100 H SER 100 -7.290 -1.206 -10.705 754 HA SER 100 HA SER 100 -7.948 0.741 -11.398 755 1HB SER 100 1HB SER 100 -5.650 1.500 -10.958 756 2HB SER 100 2HB SER 100 -5.132 0.971 -12.546 757 HG SER 100 HG SER 100 -6.169 2.659 -13.515 Start of MODEL 14 1 1H GLY -1 H GLY -1 -9.168 -14.036 -11.730 2 1HA GLY -1 1HA GLY -1 -7.661 -13.203 -9.635 3 2HA GLY -1 2HA GLY -1 -8.493 -12.124 -10.738 4 HA PRO 0 HA PRO 0 -10.330 -11.964 -6.451 5 1HB PRO 0 1HB PRO 0 -8.896 -9.978 -5.240 6 2HB PRO 0 2HB PRO 0 -8.582 -11.682 -4.979 7 1HG PRO 0 1HG PRO 0 -7.043 -9.739 -6.590 8 2HG PRO 0 2HG PRO 0 -6.537 -11.300 -5.976 9 1HD PRO 0 1HD PRO 0 -7.293 -10.681 -8.672 10 2HD PRO 0 2HD PRO 0 -6.898 -12.263 -8.032 11 H MET 1 H MET 1 -10.782 -9.513 -5.210 12 HA MET 1 HA MET 1 -12.700 -8.528 -6.954 13 1HB MET 1 1HB MET 1 -11.373 -7.391 -4.436 14 2HB MET 1 2HB MET 1 -12.729 -6.596 -5.212 15 1HG MET 1 1HG MET 1 -13.288 -9.451 -4.834 16 2HG MET 1 2HG MET 1 -12.848 -8.702 -3.312 17 1HE MET 1 1HE MET 1 -13.634 -6.843 -2.370 18 2HE MET 1 2HE MET 1 -14.501 -5.581 -3.277 19 3HE MET 1 3HE MET 1 -15.392 -6.655 -2.173 20 H GLU 2 H GLU 2 -9.335 -7.511 -6.229 21 HA GLU 2 HA GLU 2 -8.004 -6.061 -7.146 22 1HB GLU 2 1HB GLU 2 -9.735 -6.099 -9.646 23 2HB GLU 2 2HB GLU 2 -8.009 -5.818 -9.543 24 1HG GLU 2 1HG GLU 2 -8.087 -8.269 -8.376 25 2HG GLU 2 2HG GLU 2 -9.529 -8.405 -9.362 26 H PHE 3 H PHE 3 -7.900 -3.983 -6.424 27 HA PHE 3 HA PHE 3 -10.263 -2.308 -6.882 28 1HB PHE 3 1HB PHE 3 -7.977 -2.363 -4.831 29 2HB PHE 3 2HB PHE 3 -9.073 -1.000 -4.942 30 HD1 PHE 3 1HD PHE 3 -9.020 -4.675 -4.382 31 HD2 PHE 3 2HD PHE 3 -11.100 -1.025 -3.784 32 HE1 PHE 3 1HE PHE 3 -10.629 -5.843 -2.850 33 HE2 PHE 3 2HE PHE 3 -12.709 -2.193 -2.252 34 HZ PHE 3 HZ PHE 3 -12.454 -4.588 -1.803 35 H THR 4 H THR 4 -10.086 -0.473 -8.111 36 HA THR 4 HA THR 4 -7.596 -0.018 -9.465 37 HB THR 4 HB THR 4 -9.011 1.736 -10.619 38 HG1 THR 4 1HG THR 4 -11.092 2.061 -9.723 39 1HG2 THR 4 1HG2 THR 4 -10.351 -0.985 -10.189 40 2HG2 THR 4 2HG2 THR 4 -10.853 0.191 -11.427 41 3HG2 THR 4 3HG2 THR 4 -9.239 -0.554 -11.510 42 H ALA 5 H ALA 5 -6.436 2.014 -9.541 43 HA ALA 5 HA ALA 5 -5.692 2.904 -7.047 44 1HB ALA 5 1HB ALA 5 -5.441 4.004 -9.853 45 2HB ALA 5 2HB ALA 5 -4.792 4.901 -8.460 46 3HB ALA 5 3HB ALA 5 -4.193 3.264 -8.822 47 H GLU 6 H GLU 6 -8.380 3.887 -9.146 48 HA GLU 6 HA GLU 6 -8.829 6.330 -7.820 49 1HB GLU 6 1HB GLU 6 -10.082 4.739 -9.965 50 2HB GLU 6 2HB GLU 6 -11.262 5.581 -8.981 51 1HG GLU 6 1HG GLU 6 -10.291 7.728 -9.443 52 2HG GLU 6 2HG GLU 6 -8.800 7.022 -10.035 53 H GLN 7 H GLN 7 -10.231 3.004 -7.588 54 HA GLN 7 HA GLN 7 -12.069 3.771 -5.591 55 1HB GLN 7 1HB GLN 7 -11.209 1.229 -6.916 56 2HB GLN 7 2HB GLN 7 -11.937 1.062 -5.331 57 1HG GLN 7 1HG GLN 7 -13.927 1.133 -6.453 58 2HG GLN 7 2HG GLN 7 -13.669 2.865 -6.498 59 1HE2 GLN 7 1HE2 GLN 7 -12.915 3.866 -8.350 60 2HE2 GLN 7 2HE2 GLN 7 -12.939 3.117 -9.911 61 H LEU 8 H LEU 8 -8.815 2.224 -5.643 62 HA LEU 8 HA LEU 8 -8.701 1.549 -2.950 63 1HB LEU 8 1HB LEU 8 -7.118 0.573 -4.317 64 2HB LEU 8 2HB LEU 8 -6.699 2.080 -5.107 65 HG LEU 8 HG LEU 8 -5.883 2.657 -2.592 66 1HD1 LEU 8 1HD1 LEU 8 -4.585 0.528 -1.896 67 2HD1 LEU 8 2HD1 LEU 8 -6.307 0.671 -1.468 68 3HD1 LEU 8 3HD1 LEU 8 -5.814 -0.339 -2.848 69 1HD2 LEU 8 1HD2 LEU 8 -3.615 2.166 -3.351 70 2HD2 LEU 8 2HD2 LEU 8 -4.261 1.160 -4.670 71 3HD2 LEU 8 3HD2 LEU 8 -4.579 2.911 -4.649 72 H SER 9 H SER 9 -8.258 4.643 -4.660 73 HA SER 9 HA SER 9 -7.034 5.932 -2.489 74 1HB SER 9 1HB SER 9 -6.768 6.837 -4.716 75 2HB SER 9 2HB SER 9 -8.500 6.942 -4.957 76 HG SER 9 HG SER 9 -7.084 8.423 -2.912 77 H GLN 10 H GLN 10 -10.143 4.670 -2.869 78 HA GLN 10 HA GLN 10 -11.372 6.792 -1.320 79 1HB GLN 10 1HB GLN 10 -12.892 4.368 -2.267 80 2HB GLN 10 2HB GLN 10 -13.449 6.018 -2.077 81 1HG GLN 10 1HG GLN 10 -12.035 6.709 -4.034 82 2HG GLN 10 2HG GLN 10 -11.511 5.049 -4.232 83 1HE2 GLN 10 1HE2 GLN 10 -13.654 3.535 -3.905 84 2HE2 GLN 10 2HE2 GLN 10 -14.901 3.879 -5.057 85 H TYR 11 H TYR 11 -9.419 4.312 -0.622 86 HA TYR 11 HA TYR 11 -10.912 3.644 1.818 87 1HB TYR 11 1HB TYR 11 -9.171 1.902 -0.036 88 2HB TYR 11 2HB TYR 11 -9.788 1.345 1.506 89 HD1 TYR 11 1HD TYR 11 -10.368 1.384 -1.960 90 HD2 TYR 11 2HD TYR 11 -12.440 1.559 1.779 91 HE1 TYR 11 1HE TYR 11 -12.499 0.584 -3.095 92 HE2 TYR 11 2HE TYR 11 -14.563 0.759 0.632 93 HH TYR 11 HH TYR 11 -15.239 -0.413 -1.282 94 H ASN 12 H ASN 12 -9.327 5.751 2.075 95 HA ASN 12 HA ASN 12 -6.728 4.705 2.849 96 1HB ASN 12 1HB ASN 12 -5.917 6.998 2.717 97 2HB ASN 12 2HB ASN 12 -6.864 6.711 1.270 98 1HD2 ASN 12 1HD2 ASN 12 -6.961 8.041 4.540 99 2HD2 ASN 12 2HD2 ASN 12 -8.191 9.231 4.271 100 H GLY 13 H GLY 13 -9.637 4.850 4.197 101 1HA GLY 13 1HA GLY 13 -10.348 4.891 6.338 102 2HA GLY 13 2HA GLY 13 -8.703 5.190 6.865 103 H THR 14 H THR 14 -11.805 6.631 5.998 104 HA THR 14 HA THR 14 -11.418 8.901 7.533 105 HB THR 14 HB THR 14 -10.023 9.024 5.019 106 HG1 THR 14 1HG THR 14 -10.907 10.908 7.089 107 1HG2 THR 14 1HG2 THR 14 -12.445 10.881 5.267 108 2HG2 THR 14 2HG2 THR 14 -11.035 11.230 4.239 109 3HG2 THR 14 3HG2 THR 14 -12.058 9.815 3.895 110 H ASP 15 H ASP 15 -12.928 7.446 4.625 111 HA ASP 15 HA ASP 15 -15.193 9.036 4.683 112 1HB ASP 15 1HB ASP 15 -14.282 6.551 3.394 113 2HB ASP 15 2HB ASP 15 -15.997 6.492 3.748 114 H GLU 16 H GLU 16 -17.441 7.365 4.833 115 HA GLU 16 HA GLU 16 -18.071 7.310 7.432 116 1HB GLU 16 1HB GLU 16 -19.050 5.720 5.060 117 2HB GLU 16 2HB GLU 16 -19.692 5.344 6.646 118 1HG GLU 16 1HG GLU 16 -21.076 7.133 6.531 119 2HG GLU 16 2HG GLU 16 -19.698 8.207 6.399 120 H SER 17 H SER 17 -18.093 4.042 6.002 121 HA SER 17 HA SER 17 -16.434 3.211 8.249 122 1HB SER 17 1HB SER 17 -18.654 1.807 6.721 123 2HB SER 17 2HB SER 17 -17.537 0.912 7.732 124 HG SER 17 HG SER 17 -18.543 1.608 9.495 125 H LYS 18 H LYS 18 -16.318 3.861 4.968 126 HA LYS 18 HA LYS 18 -15.312 1.833 3.592 127 1HB LYS 18 1HB LYS 18 -15.003 4.706 3.577 128 2HB LYS 18 2HB LYS 18 -13.501 3.945 3.091 129 1HG LYS 18 1HG LYS 18 -15.079 4.361 1.168 130 2HG LYS 18 2HG LYS 18 -14.611 2.680 1.331 131 1HD LYS 18 1HD LYS 18 -16.876 2.830 2.959 132 2HD LYS 18 2HD LYS 18 -17.277 3.932 1.657 133 1HE LYS 18 1HE LYS 18 -17.902 2.076 0.489 134 2HE LYS 18 2HE LYS 18 -16.188 1.791 0.259 135 1HZ LYS 18 1HZ LYS 18 -16.418 -0.023 1.455 136 2HZ LYS 18 2HZ LYS 18 -16.854 0.847 2.766 137 3HZ LYS 18 3HZ LYS 18 -17.995 0.287 1.741 138 HA PRO 19 HA PRO 19 -11.967 0.336 5.927 139 1HB PRO 19 1HB PRO 19 -11.222 -1.696 4.259 140 2HB PRO 19 2HB PRO 19 -12.509 -1.848 5.438 141 1HG PRO 19 1HG PRO 19 -12.709 -1.539 2.505 142 2HG PRO 19 2HG PRO 19 -13.922 -2.109 3.634 143 1HD PRO 19 1HD PRO 19 -13.804 0.480 2.403 144 2HD PRO 19 2HD PRO 19 -14.949 -0.051 3.619 145 H ILE 20 H ILE 20 -9.591 -0.103 5.801 146 HA ILE 20 HA ILE 20 -8.531 1.870 3.920 147 HB ILE 20 HB ILE 20 -7.317 0.693 6.423 148 1HG1 ILE 20 1HG1 ILE 20 -7.771 3.433 6.770 149 2HG1 ILE 20 2HG1 ILE 20 -9.238 2.844 6.014 150 1HG2 ILE 20 1HG2 ILE 20 -6.104 3.141 5.707 151 2HG2 ILE 20 2HG2 ILE 20 -5.387 1.512 5.706 152 3HG2 ILE 20 3HG2 ILE 20 -6.158 2.146 4.233 153 1HD1 ILE 20 1HD1 ILE 20 -7.925 1.703 8.523 154 2HD1 ILE 20 2HD1 ILE 20 -9.441 2.633 8.447 155 3HD1 ILE 20 3HD1 ILE 20 -9.358 1.006 7.729 156 H TYR 21 H TYR 21 -7.424 1.216 2.155 157 HA TYR 21 HA TYR 21 -6.256 -1.480 2.247 158 1HB TYR 21 1HB TYR 21 -7.827 0.020 0.060 159 2HB TYR 21 2HB TYR 21 -6.980 -1.483 -0.248 160 HD1 TYR 21 1HD TYR 21 -7.746 -2.675 2.576 161 HD2 TYR 21 2HD TYR 21 -9.986 -0.882 -0.598 162 HE1 TYR 21 1HE TYR 21 -9.810 -3.980 3.286 163 HE2 TYR 21 2HE TYR 21 -12.042 -2.193 0.122 164 HH TYR 21 HH TYR 21 -11.907 -4.348 2.946 165 H VAL 22 H VAL 22 -4.138 -1.573 1.647 166 HA VAL 22 HA VAL 22 -3.050 0.856 0.405 167 HB VAL 22 HB VAL 22 -1.563 -1.237 1.992 168 1HG1 VAL 22 1HG1 VAL 22 0.246 0.232 2.001 169 2HG1 VAL 22 2HG1 VAL 22 -0.414 0.436 0.361 170 3HG1 VAL 22 3HG1 VAL 22 -0.766 1.645 1.619 171 1HG2 VAL 22 1HG2 VAL 22 -1.798 0.046 3.967 172 2HG2 VAL 22 2HG2 VAL 22 -2.505 1.423 3.088 173 3HG2 VAL 22 3HG2 VAL 22 -3.438 -0.080 3.286 174 H ALA 23 H ALA 23 -1.431 0.589 -1.278 175 HA ALA 23 HA ALA 23 -1.773 -1.975 -2.671 176 1HB ALA 23 1HB ALA 23 -1.031 -0.487 -4.669 177 2HB ALA 23 2HB ALA 23 -2.680 -0.279 -4.034 178 3HB ALA 23 3HB ALA 23 -1.405 0.884 -3.598 179 H ILE 24 H ILE 24 0.013 -3.219 -3.091 180 HA ILE 24 HA ILE 24 2.624 -1.955 -2.743 181 HB ILE 24 HB ILE 24 1.434 -4.109 -1.101 182 1HG1 ILE 24 1HG1 ILE 24 3.219 -1.742 -0.764 183 2HG1 ILE 24 2HG1 ILE 24 1.811 -2.230 0.158 184 1HG2 ILE 24 1HG2 ILE 24 3.598 -5.179 -0.680 185 2HG2 ILE 24 2HG2 ILE 24 3.082 -5.385 -2.371 186 3HG2 ILE 24 3HG2 ILE 24 4.339 -4.193 -1.963 187 1HD1 ILE 24 1HD1 ILE 24 4.615 -3.409 0.291 188 2HD1 ILE 24 2HD1 ILE 24 3.700 -2.607 1.591 189 3HD1 ILE 24 3HD1 ILE 24 3.204 -4.217 1.015 190 H LYS 25 H LYS 25 3.562 -2.149 -4.704 191 HA LYS 25 HA LYS 25 4.293 -3.037 -6.587 192 1HB LYS 25 1HB LYS 25 3.782 -5.723 -5.273 193 2HB LYS 25 2HB LYS 25 4.784 -5.435 -6.681 194 1HG LYS 25 1HG LYS 25 6.541 -4.721 -5.416 195 2HG LYS 25 2HG LYS 25 5.528 -3.651 -4.467 196 1HD LYS 25 1HD LYS 25 6.046 -5.133 -2.781 197 2HD LYS 25 2HD LYS 25 4.681 -6.014 -3.437 198 1HE LYS 25 1HE LYS 25 7.530 -6.468 -4.425 199 2HE LYS 25 2HE LYS 25 6.859 -7.358 -3.073 200 1HZ LYS 25 1HZ LYS 25 6.003 -7.398 -5.862 201 2HZ LYS 25 2HZ LYS 25 6.382 -8.654 -4.889 202 3HZ LYS 25 3HZ LYS 25 4.972 -7.857 -4.682 203 H GLY 26 H GLY 26 1.269 -2.667 -5.840 204 1HA GLY 26 1HA GLY 26 -0.390 -2.463 -7.485 205 2HA GLY 26 2HA GLY 26 0.301 -3.811 -8.367 206 H ARG 27 H ARG 27 0.171 -4.238 -4.902 207 HA ARG 27 HA ARG 27 -2.174 -5.918 -5.299 208 1HB ARG 27 1HB ARG 27 -0.565 -7.495 -4.710 209 2HB ARG 27 2HB ARG 27 0.411 -6.333 -3.835 210 1HG ARG 27 1HG ARG 27 -0.966 -6.453 -1.884 211 2HG ARG 27 2HG ARG 27 -2.305 -7.168 -2.761 212 1HD ARG 27 1HD ARG 27 0.379 -8.534 -2.225 213 2HD ARG 27 2HD ARG 27 -1.110 -8.857 -1.360 214 HE ARG 27 HE ARG 27 -1.645 -9.179 -4.141 215 1HH1 ARG 27 2HH2 ARG 27 0.242 -10.715 -1.599 216 2HH1 ARG 27 1HH2 ARG 27 0.179 -12.286 -2.325 217 1HH2 ARG 27 2HH1 ARG 27 -1.729 -11.252 -5.099 218 2HH2 ARG 27 1HH1 ARG 27 -0.950 -12.593 -4.330 219 H VAL 28 H VAL 28 -3.971 -5.410 -4.062 220 HA VAL 28 HA VAL 28 -3.731 -3.221 -2.208 221 HB VAL 28 HB VAL 28 -6.011 -4.846 -3.325 222 1HG1 VAL 28 1HG1 VAL 28 -7.293 -2.794 -2.126 223 2HG1 VAL 28 2HG1 VAL 28 -7.056 -4.384 -1.361 224 3HG1 VAL 28 3HG1 VAL 28 -5.963 -3.035 -0.967 225 1HG2 VAL 28 1HG2 VAL 28 -5.913 -3.328 -4.956 226 2HG2 VAL 28 2HG2 VAL 28 -6.331 -2.072 -3.765 227 3HG2 VAL 28 3HG2 VAL 28 -4.624 -2.439 -4.108 228 H PHE 29 H PHE 29 -3.333 -3.441 -0.072 229 HA PHE 29 HA PHE 29 -3.880 -6.080 1.091 230 1HB PHE 29 1HB PHE 29 -1.804 -3.873 1.499 231 2HB PHE 29 2HB PHE 29 -2.119 -4.998 2.805 232 HD1 PHE 29 1HD PHE 29 -0.069 -4.378 0.073 233 HD2 PHE 29 2HD PHE 29 -2.091 -7.566 2.012 234 HE1 PHE 29 1HE PHE 29 1.533 -6.017 -0.951 235 HE2 PHE 29 2HE PHE 29 -0.489 -9.204 0.988 236 HZ PHE 29 HZ PHE 29 1.303 -8.410 -0.481 237 H ASP 30 H ASP 30 -4.265 -5.951 3.568 238 HA ASP 30 HA ASP 30 -6.083 -3.716 3.995 239 1HB ASP 30 1HB ASP 30 -7.463 -5.555 4.257 240 2HB ASP 30 2HB ASP 30 -6.139 -6.623 4.677 241 H VAL 31 H VAL 31 -5.471 -2.273 5.622 242 HA VAL 31 HA VAL 31 -3.641 -3.288 7.681 243 HB VAL 31 HB VAL 31 -2.348 -1.297 7.567 244 1HG1 VAL 31 1HG1 VAL 31 -2.394 -3.192 5.561 245 2HG1 VAL 31 2HG1 VAL 31 -2.436 -1.661 4.654 246 3HG1 VAL 31 3HG1 VAL 31 -1.121 -1.974 5.811 247 1HG2 VAL 31 1HG2 VAL 31 -3.645 0.533 7.126 248 2HG2 VAL 31 2HG2 VAL 31 -2.959 0.288 5.502 249 3HG2 VAL 31 3HG2 VAL 31 -4.597 -0.301 5.874 250 H THR 32 H THR 32 -6.703 -2.406 7.079 251 HA THR 32 HA THR 32 -7.313 -0.261 8.694 252 HB THR 32 HB THR 32 -9.189 -0.985 7.558 253 HG1 THR 32 1HG THR 32 -10.488 -1.868 9.177 254 1HG2 THR 32 1HG2 THR 32 -8.454 -2.893 6.361 255 2HG2 THR 32 2HG2 THR 32 -7.910 -3.724 7.838 256 3HG2 THR 32 3HG2 THR 32 -9.648 -3.604 7.473 257 H THR 33 H THR 33 -6.121 -3.428 9.602 258 HA THR 33 HA THR 33 -7.150 -3.631 12.169 259 HB THR 33 HB THR 33 -5.966 -5.466 11.071 260 HG1 THR 33 1HG THR 33 -4.418 -5.818 12.860 261 1HG2 THR 33 1HG2 THR 33 -3.899 -5.280 10.082 262 2HG2 THR 33 2HG2 THR 33 -4.163 -3.522 10.169 263 3HG2 THR 33 3HG2 THR 33 -3.247 -4.348 11.451 264 H GLY 34 H GLY 34 -5.246 -1.122 10.886 265 1HA GLY 34 1HA GLY 34 -4.818 -0.079 13.574 266 2HA GLY 34 2HA GLY 34 -3.382 -0.353 12.608 267 H LYS 35 H LYS 35 -6.717 0.816 11.746 268 HA LYS 35 HA LYS 35 -5.930 2.584 9.818 269 1HB LYS 35 1HB LYS 35 -8.114 3.229 9.767 270 2HB LYS 35 2HB LYS 35 -8.287 1.751 10.691 271 1HG LYS 35 1HG LYS 35 -8.142 3.092 12.819 272 2HG LYS 35 2HG LYS 35 -8.038 4.560 11.868 273 1HD LYS 35 1HD LYS 35 -10.280 3.476 10.751 274 2HD LYS 35 2HD LYS 35 -10.396 2.770 12.350 275 1HE LYS 35 1HE LYS 35 -10.983 4.759 13.298 276 2HE LYS 35 2HE LYS 35 -9.678 5.615 12.502 277 1HZ LYS 35 1HZ LYS 35 -11.373 5.087 10.491 278 2HZ LYS 35 2HZ LYS 35 -12.402 5.376 11.726 279 3HZ LYS 35 3HZ LYS 35 -11.296 6.502 11.304 280 H SER 36 H SER 36 -5.662 2.836 13.327 281 HA SER 36 HA SER 36 -5.519 5.576 13.542 282 1HB SER 36 1HB SER 36 -4.816 3.226 15.162 283 2HB SER 36 2HB SER 36 -3.713 4.558 15.446 284 HG SER 36 HG SER 36 -5.893 5.852 15.554 285 H PHE 37 H PHE 37 -3.434 3.365 11.920 286 HA PHE 37 HA PHE 37 -1.200 5.257 12.081 287 1HB PHE 37 1HB PHE 37 -1.517 2.289 11.356 288 2HB PHE 37 2HB PHE 37 -0.022 3.149 11.048 289 HD1 PHE 37 1HD PHE 37 0.012 4.846 13.560 290 HD2 PHE 37 2HD PHE 37 -0.779 0.722 12.950 291 HE1 PHE 37 1HE PHE 37 0.778 4.353 15.899 292 HE2 PHE 37 2HE PHE 37 -0.013 0.229 15.289 293 HZ PHE 37 HZ PHE 37 0.757 2.051 16.736 294 H TYR 38 H TYR 38 -3.249 3.288 9.850 295 HA TYR 38 HA TYR 38 -2.077 4.702 7.583 296 1HB TYR 38 1HB TYR 38 -3.414 2.141 8.248 297 2HB TYR 38 2HB TYR 38 -4.196 2.893 6.872 298 HD1 TYR 38 1HD TYR 38 -1.535 0.800 7.906 299 HD2 TYR 38 2HD TYR 38 -2.583 3.703 4.943 300 HE1 TYR 38 1HE TYR 38 0.287 -0.094 6.374 301 HE2 TYR 38 2HE TYR 38 -0.757 2.800 3.422 302 HH TYR 38 HH TYR 38 1.398 1.587 3.725 303 H GLY 39 H GLY 39 -5.193 4.206 9.326 304 1HA GLY 39 1HA GLY 39 -6.872 5.545 7.549 305 2HA GLY 39 2HA GLY 39 -7.124 5.353 9.273 306 H SER 40 H SER 40 -6.903 7.116 10.635 307 HA SER 40 HA SER 40 -5.557 9.431 9.506 308 1HB SER 40 1HB SER 40 -8.287 9.300 9.572 309 2HB SER 40 2HB SER 40 -7.987 9.963 11.166 310 HG SER 40 HG SER 40 -8.046 11.784 9.949 311 H GLY 41 H GLY 41 -3.825 8.531 10.972 312 1HA GLY 41 1HA GLY 41 -4.138 9.651 13.656 313 2HA GLY 41 2HA GLY 41 -3.774 7.941 13.534 314 H GLY 42 H GLY 42 -2.072 7.897 11.247 315 1HA GLY 42 1HA GLY 42 -0.113 9.308 10.572 316 2HA GLY 42 2HA GLY 42 0.247 9.412 12.284 317 H ASP 43 H ASP 43 1.418 7.993 9.659 318 HA ASP 43 HA ASP 43 3.074 6.301 10.590 319 1HB ASP 43 1HB ASP 43 0.378 5.096 10.992 320 2HB ASP 43 2HB ASP 43 1.540 4.019 10.242 321 H TYR 44 H TYR 44 0.146 6.192 8.461 322 HA TYR 44 HA TYR 44 1.887 5.831 6.161 323 1HB TYR 44 1HB TYR 44 -0.640 4.154 6.573 324 2HB TYR 44 2HB TYR 44 0.686 3.828 5.474 325 HD1 TYR 44 1HD TYR 44 3.069 3.567 6.809 326 HD2 TYR 44 2HD TYR 44 -0.818 2.741 8.396 327 HE1 TYR 44 1HE TYR 44 4.095 1.996 8.525 328 HE2 TYR 44 2HE TYR 44 0.222 1.173 10.106 329 HH TYR 44 HH TYR 44 2.102 0.523 11.038 330 H SER 45 H SER 45 -0.008 7.893 7.498 331 HA SER 45 HA SER 45 -2.351 8.119 6.190 332 1HB SER 45 1HB SER 45 -2.384 10.040 7.374 333 2HB SER 45 2HB SER 45 -0.703 9.772 7.791 334 HG SER 45 HG SER 45 -0.049 10.986 5.950 335 H MET 46 H MET 46 0.932 8.568 4.944 336 HA MET 46 HA MET 46 0.038 9.962 2.619 337 1HB MET 46 1HB MET 46 2.473 9.693 1.954 338 2HB MET 46 2HB MET 46 2.284 10.403 3.545 339 1HG MET 46 1HG MET 46 2.416 7.422 3.531 340 2HG MET 46 2HG MET 46 3.882 8.218 2.992 341 1HE MET 46 1HE MET 46 4.198 10.642 4.083 342 2HE MET 46 2HE MET 46 2.963 11.087 5.284 343 3HE MET 46 3HE MET 46 4.620 10.706 5.811 344 H PHE 47 H PHE 47 0.538 6.629 3.643 345 HA PHE 47 HA PHE 47 0.650 5.656 0.926 346 1HB PHE 47 1HB PHE 47 0.342 4.249 3.646 347 2HB PHE 47 2HB PHE 47 0.809 3.463 2.151 348 HD1 PHE 47 1HD PHE 47 2.584 6.085 1.474 349 HD2 PHE 47 2HD PHE 47 2.394 3.277 4.650 350 HE1 PHE 47 1HE PHE 47 5.000 6.518 2.001 351 HE2 PHE 47 2HE PHE 47 4.810 3.710 5.177 352 HZ PHE 47 HZ PHE 47 6.084 5.325 3.846 353 H ALA 48 H ALA 48 -1.668 5.979 3.633 354 HA ALA 48 HA ALA 48 -3.615 4.238 2.989 355 1HB ALA 48 1HB ALA 48 -3.520 5.973 4.855 356 2HB ALA 48 2HB ALA 48 -4.145 7.150 3.675 357 3HB ALA 48 3HB ALA 48 -5.119 5.726 4.113 358 H GLY 49 H GLY 49 -4.952 3.830 1.287 359 1HA GLY 49 1HA GLY 49 -5.936 4.037 -0.721 360 2HA GLY 49 2HA GLY 49 -6.099 5.747 -0.372 361 H LYS 50 H LYS 50 -2.930 4.091 -0.504 362 HA LYS 50 HA LYS 50 -2.448 4.850 -3.217 363 1HB LYS 50 1HB LYS 50 -1.194 6.451 -0.973 364 2HB LYS 50 2HB LYS 50 -0.521 6.380 -2.589 365 1HG LYS 50 1HG LYS 50 -2.940 7.045 -3.387 366 2HG LYS 50 2HG LYS 50 -3.201 7.514 -1.719 367 1HD LYS 50 1HD LYS 50 -2.122 9.471 -2.088 368 2HD LYS 50 2HD LYS 50 -0.658 8.597 -2.493 369 1HE LYS 50 1HE LYS 50 -1.779 8.254 -4.851 370 2HE LYS 50 2HE LYS 50 -2.856 9.548 -4.363 371 1HZ LYS 50 1HZ LYS 50 -0.589 10.656 -3.749 372 2HZ LYS 50 2HZ LYS 50 -0.016 9.649 -4.900 373 3HZ LYS 50 3HZ LYS 50 -1.184 10.729 -5.269 374 H ASP 51 H ASP 51 -0.441 3.949 -4.013 375 HA ASP 51 HA ASP 51 0.292 1.667 -2.459 376 1HB ASP 51 1HB ASP 51 -0.042 1.432 -4.881 377 2HB ASP 51 2HB ASP 51 1.138 2.687 -5.208 378 H ALA 52 H ALA 52 1.865 1.983 -0.868 379 HA ALA 52 HA ALA 52 3.908 4.012 -1.354 380 1HB ALA 52 1HB ALA 52 2.479 3.908 0.769 381 2HB ALA 52 2HB ALA 52 3.383 2.433 1.186 382 3HB ALA 52 3HB ALA 52 4.242 3.982 1.009 383 H SER 53 H SER 53 4.323 2.012 -3.109 384 HA SER 53 HA SER 53 5.800 -0.111 -1.982 385 1HB SER 53 1HB SER 53 4.772 0.654 -4.574 386 2HB SER 53 2HB SER 53 6.467 0.249 -4.753 387 HG SER 53 HG SER 53 5.496 -1.719 -4.932 388 H ARG 54 H ARG 54 6.657 2.843 -3.926 389 HA ARG 54 HA ARG 54 9.397 2.381 -3.735 390 1HB ARG 54 1HB ARG 54 8.293 5.181 -4.040 391 2HB ARG 54 2HB ARG 54 9.629 4.429 -4.889 392 1HG ARG 54 1HG ARG 54 7.481 2.817 -5.636 393 2HG ARG 54 2HG ARG 54 6.733 4.398 -5.529 394 1HD ARG 54 1HD ARG 54 9.373 4.436 -6.891 395 2HD ARG 54 2HD ARG 54 8.181 3.449 -7.713 396 HE ARG 54 HE ARG 54 6.960 5.383 -8.244 397 1HH1 ARG 54 2HH2 ARG 54 9.329 6.138 -5.754 398 2HH1 ARG 54 1HH2 ARG 54 9.060 7.847 -5.837 399 1HH2 ARG 54 2HH1 ARG 54 6.605 7.637 -8.354 400 2HH2 ARG 54 1HH1 ARG 54 7.501 8.706 -7.326 401 H ALA 55 H ALA 55 7.067 4.436 -1.880 402 HA ALA 55 HA ALA 55 8.941 5.730 -0.278 403 1HB ALA 55 1HB ALA 55 7.084 6.659 0.640 404 2HB ALA 55 2HB ALA 55 6.221 5.808 -0.664 405 3HB ALA 55 3HB ALA 55 6.331 5.077 0.956 406 H LEU 56 H LEU 56 7.432 2.495 -0.107 407 HA LEU 56 HA LEU 56 8.316 1.987 2.546 408 1HB LEU 56 1HB LEU 56 7.094 0.398 0.326 409 2HB LEU 56 2HB LEU 56 7.818 -0.443 1.682 410 HG LEU 56 HG LEU 56 5.735 1.705 2.084 411 1HD1 LEU 56 1HD1 LEU 56 4.048 0.398 1.454 412 2HD1 LEU 56 2HD1 LEU 56 5.261 -0.634 0.660 413 3HD1 LEU 56 3HD1 LEU 56 4.716 -1.011 2.312 414 1HD2 LEU 56 1HD2 LEU 56 5.945 1.259 4.248 415 2HD2 LEU 56 2HD2 LEU 56 5.743 -0.488 3.969 416 3HD2 LEU 56 3HD2 LEU 56 7.358 0.252 3.846 417 H GLY 57 H GLY 57 9.505 1.156 -0.767 418 1HA GLY 57 1HA GLY 57 11.681 -0.410 0.021 419 2HA GLY 57 2HA GLY 57 11.520 0.470 -1.486 420 H LYS 58 H LYS 58 11.854 2.985 -1.267 421 HA LYS 58 HA LYS 58 14.452 3.385 -0.338 422 1HB LYS 58 1HB LYS 58 12.344 5.459 -1.008 423 2HB LYS 58 2HB LYS 58 14.074 5.724 -0.934 424 1HG LYS 58 1HG LYS 58 14.483 4.286 -2.830 425 2HG LYS 58 2HG LYS 58 12.865 3.616 -2.769 426 1HD LYS 58 1HD LYS 58 12.256 6.274 -3.055 427 2HD LYS 58 2HD LYS 58 13.798 6.232 -3.887 428 1HE LYS 58 1HE LYS 58 12.072 3.949 -4.619 429 2HE LYS 58 2HE LYS 58 11.317 5.491 -4.972 430 1HZ LYS 58 1HZ LYS 58 12.971 4.390 -6.620 431 2HZ LYS 58 2HZ LYS 58 12.923 6.014 -6.454 432 3HZ LYS 58 3HZ LYS 58 14.097 5.153 -5.716 433 H MET 59 H MET 59 11.306 3.570 1.237 434 HA MET 59 HA MET 59 10.749 3.874 3.318 435 1HB MET 59 1HB MET 59 13.757 4.015 3.917 436 2HB MET 59 2HB MET 59 12.501 3.743 5.108 437 1HG MET 59 1HG MET 59 12.191 1.535 4.487 438 2HG MET 59 2HG MET 59 12.461 1.861 2.786 439 1HE MET 59 1HE MET 59 14.331 1.028 6.274 440 2HE MET 59 2HE MET 59 13.415 -0.138 5.290 441 3HE MET 59 3HE MET 59 15.186 -0.269 5.404 442 H SER 60 H SER 60 10.609 6.104 1.739 443 HA SER 60 HA SER 60 11.796 8.203 3.370 444 1HB SER 60 1HB SER 60 11.964 7.908 0.675 445 2HB SER 60 2HB SER 60 10.480 8.838 0.751 446 HG SER 60 HG SER 60 11.699 10.566 1.024 447 H LYS 61 H LYS 61 8.833 6.610 2.403 448 HA LYS 61 HA LYS 61 6.707 6.929 2.902 449 1HB LYS 61 1HB LYS 61 7.733 8.723 5.122 450 2HB LYS 61 2HB LYS 61 6.145 7.991 5.029 451 1HG LYS 61 1HG LYS 61 7.887 5.813 4.663 452 2HG LYS 61 2HG LYS 61 8.710 6.794 5.860 453 1HD LYS 61 1HD LYS 61 5.870 6.679 6.495 454 2HD LYS 61 2HD LYS 61 6.479 5.052 6.265 455 1HE LYS 61 1HE LYS 61 8.474 5.820 7.804 456 2HE LYS 61 2HE LYS 61 7.423 7.148 8.252 457 1HZ LYS 61 1HZ LYS 61 6.624 4.327 8.419 458 2HZ LYS 61 2HZ LYS 61 7.228 5.177 9.676 459 3HZ LYS 61 3HZ LYS 61 5.805 5.613 9.004 460 H ASN 62 H ASN 62 8.309 8.834 1.086 461 HA ASN 62 HA ASN 62 7.111 11.343 1.355 462 1HB ASN 62 1HB ASN 62 9.170 11.140 0.076 463 2HB ASN 62 2HB ASN 62 8.486 9.906 -0.963 464 1HD2 ASN 62 1HD2 ASN 62 9.457 11.579 -2.479 465 2HD2 ASN 62 2HD2 ASN 62 8.394 12.798 -3.097 466 H GLU 63 H GLU 63 5.086 12.053 0.599 467 HA GLU 63 HA GLU 63 3.192 10.217 -0.161 468 1HB GLU 63 1HB GLU 63 3.268 12.943 0.508 469 2HB GLU 63 2HB GLU 63 2.631 12.941 -1.124 470 1HG GLU 63 1HG GLU 63 1.090 10.967 -0.215 471 2HG GLU 63 2HG GLU 63 1.486 11.636 1.356 472 H GLU 64 H GLU 64 5.723 11.704 -2.010 473 HA GLU 64 HA GLU 64 4.307 11.356 -4.493 474 1HB GLU 64 1HB GLU 64 7.227 12.067 -4.400 475 2HB GLU 64 2HB GLU 64 5.973 12.659 -5.472 476 1HG GLU 64 1HG GLU 64 5.375 13.370 -2.692 477 2HG GLU 64 2HG GLU 64 6.971 13.935 -3.144 478 H ASP 65 H ASP 65 6.485 9.639 -2.371 479 HA ASP 65 HA ASP 65 7.674 8.055 -4.376 480 1HB ASP 65 1HB ASP 65 7.570 8.135 -1.389 481 2HB ASP 65 2HB ASP 65 7.886 6.555 -2.077 482 H VAL 66 H VAL 66 4.592 8.166 -2.762 483 HA VAL 66 HA VAL 66 4.009 5.390 -2.789 484 HB VAL 66 HB VAL 66 1.949 7.567 -2.868 485 1HG1 VAL 66 1HG1 VAL 66 2.202 4.961 -1.328 486 2HG1 VAL 66 2HG1 VAL 66 0.843 6.103 -1.201 487 3HG1 VAL 66 3HG1 VAL 66 1.162 5.267 -2.740 488 1HG2 VAL 66 1HG2 VAL 66 4.031 7.126 -0.756 489 2HG2 VAL 66 2HG2 VAL 66 3.295 8.639 -1.338 490 3HG2 VAL 66 3HG2 VAL 66 2.378 7.561 -0.259 491 H SER 67 H SER 67 4.447 4.496 -4.826 492 HA SER 67 HA SER 67 2.809 5.611 -6.967 493 1HB SER 67 1HB SER 67 4.445 4.796 -8.559 494 2HB SER 67 2HB SER 67 5.296 5.715 -7.334 495 HG SER 67 HG SER 67 5.869 3.262 -8.093 496 HA PRO 68 HA PRO 68 0.780 1.739 -6.712 497 1HB PRO 68 1HB PRO 68 -1.010 2.097 -8.746 498 2HB PRO 68 2HB PRO 68 -1.272 2.701 -7.122 499 1HG PRO 68 1HG PRO 68 -0.508 4.196 -9.555 500 2HG PRO 68 2HG PRO 68 -1.179 4.808 -8.055 501 1HD PRO 68 1HD PRO 68 1.557 4.966 -8.902 502 2HD PRO 68 2HD PRO 68 0.908 5.472 -7.355 503 H SER 69 H SER 69 3.076 2.555 -8.770 504 HA SER 69 HA SER 69 2.991 -0.093 -9.907 505 1HB SER 69 1HB SER 69 2.799 0.516 -12.095 506 2HB SER 69 2HB SER 69 2.074 1.976 -11.452 507 HG SER 69 HG SER 69 4.876 1.618 -12.105 508 H LEU 70 H LEU 70 4.994 -1.008 -9.615 509 HA LEU 70 HA LEU 70 7.140 0.672 -8.724 510 1HB LEU 70 1HB LEU 70 8.338 -1.545 -8.596 511 2HB LEU 70 2HB LEU 70 6.940 -1.326 -7.563 512 HG LEU 70 HG LEU 70 5.634 -2.835 -8.760 513 1HD1 LEU 70 1HD1 LEU 70 7.568 -2.827 -11.086 514 2HD1 LEU 70 2HD1 LEU 70 5.942 -3.546 -11.007 515 3HD1 LEU 70 3HD1 LEU 70 6.134 -1.777 -10.989 516 1HD2 LEU 70 1HD2 LEU 70 6.956 -4.875 -8.986 517 2HD2 LEU 70 2HD2 LEU 70 8.456 -3.917 -8.991 518 3HD2 LEU 70 3HD2 LEU 70 7.432 -3.959 -7.536 519 H GLU 71 H GLU 71 6.631 1.735 -11.099 520 HA GLU 71 HA GLU 71 8.166 0.361 -13.100 521 1HB GLU 71 1HB GLU 71 6.291 2.688 -13.017 522 2HB GLU 71 2HB GLU 71 7.541 2.761 -14.244 523 1HG GLU 71 1HG GLU 71 6.748 0.173 -14.587 524 2HG GLU 71 2HG GLU 71 5.250 0.843 -13.974 525 H GLY 72 H GLY 72 9.237 1.688 -10.459 526 1HA GLY 72 1HA GLY 72 11.633 2.748 -11.686 527 2HA GLY 72 2HA GLY 72 10.691 3.931 -10.800 528 H LEU 73 H LEU 73 10.555 0.533 -9.810 529 HA LEU 73 HA LEU 73 11.665 1.262 -7.261 530 1HB LEU 73 1HB LEU 73 10.235 -1.077 -8.429 531 2HB LEU 73 2HB LEU 73 11.231 -1.348 -7.013 532 HG LEU 73 HG LEU 73 8.688 -0.810 -6.764 533 1HD1 LEU 73 1HD1 LEU 73 10.525 0.763 -4.966 534 2HD1 LEU 73 2HD1 LEU 73 9.043 -0.133 -4.557 535 3HD1 LEU 73 3HD1 LEU 73 10.528 -1.017 -4.983 536 1HD2 LEU 73 1HD2 LEU 73 9.568 2.039 -6.572 537 2HD2 LEU 73 2HD2 LEU 73 9.162 1.376 -8.173 538 3HD2 LEU 73 3HD2 LEU 73 7.953 1.351 -6.867 539 H THR 74 H THR 74 13.847 1.582 -7.232 540 HA THR 74 HA THR 74 15.599 0.088 -8.910 541 HB THR 74 HB THR 74 15.996 2.447 -8.160 542 HG1 THR 74 1HG THR 74 18.189 1.920 -7.955 543 1HG2 THR 74 1HG2 THR 74 17.168 2.063 -5.627 544 2HG2 THR 74 2HG2 THR 74 15.645 2.928 -5.945 545 3HG2 THR 74 3HG2 THR 74 15.615 1.203 -5.509 546 H GLU 75 H GLU 75 17.755 -0.613 -7.344 547 HA GLU 75 HA GLU 75 16.862 -3.112 -6.438 548 1HB GLU 75 1HB GLU 75 19.439 -1.706 -6.810 549 2HB GLU 75 2HB GLU 75 19.457 -2.831 -5.466 550 1HG GLU 75 1HG GLU 75 19.467 -4.629 -6.857 551 2HG GLU 75 2HG GLU 75 18.093 -4.024 -7.761 552 H LYS 76 H LYS 76 17.918 -0.068 -4.824 553 HA LYS 76 HA LYS 76 18.107 -0.968 -2.243 554 1HB LYS 76 1HB LYS 76 18.619 1.178 -1.988 555 2HB LYS 76 2HB LYS 76 18.046 1.519 -3.608 556 1HG LYS 76 1HG LYS 76 15.777 1.930 -2.804 557 2HG LYS 76 2HG LYS 76 16.177 1.342 -1.202 558 1HD LYS 76 1HD LYS 76 17.930 3.548 -2.167 559 2HD LYS 76 2HD LYS 76 16.249 4.001 -1.971 560 1HE LYS 76 1HE LYS 76 16.576 4.165 0.266 561 2HE LYS 76 2HE LYS 76 16.894 2.443 0.330 562 1HZ LYS 76 1HZ LYS 76 18.916 3.061 0.931 563 2HZ LYS 76 2HZ LYS 76 19.189 3.462 -0.628 564 3HZ LYS 76 3HZ LYS 76 18.728 4.607 0.441 565 H GLU 77 H GLU 77 15.163 0.274 -3.965 566 HA GLU 77 HA GLU 77 13.530 -0.372 -1.747 567 1HB GLU 77 1HB GLU 77 11.675 0.088 -3.537 568 2HB GLU 77 2HB GLU 77 12.693 1.414 -3.015 569 1HG GLU 77 1HG GLU 77 14.018 0.047 -5.201 570 2HG GLU 77 2HG GLU 77 12.364 0.379 -5.675 571 H ILE 78 H ILE 78 14.243 -1.837 -4.968 572 HA ILE 78 HA ILE 78 12.360 -3.812 -5.009 573 HB ILE 78 HB ILE 78 15.128 -3.521 -6.080 574 1HG1 ILE 78 1HG1 ILE 78 12.622 -2.762 -6.946 575 2HG1 ILE 78 2HG1 ILE 78 14.070 -2.858 -7.928 576 1HG2 ILE 78 1HG2 ILE 78 15.019 -5.880 -5.438 577 2HG2 ILE 78 2HG2 ILE 78 13.491 -6.059 -6.334 578 3HG2 ILE 78 3HG2 ILE 78 14.996 -5.683 -7.207 579 1HD1 ILE 78 1HD1 ILE 78 13.527 -5.239 -8.486 580 2HD1 ILE 78 2HD1 ILE 78 12.033 -5.098 -7.529 581 3HD1 ILE 78 3HD1 ILE 78 12.245 -4.116 -8.998 582 H ASN 79 H ASN 79 15.215 -3.480 -2.945 583 HA ASN 79 HA ASN 79 15.071 -6.215 -2.130 584 1HB ASN 79 1HB ASN 79 16.801 -3.821 -1.499 585 2HB ASN 79 2HB ASN 79 16.738 -5.095 -0.297 586 1HD2 ASN 79 1HD2 ASN 79 18.466 -3.983 -2.772 587 2HD2 ASN 79 2HD2 ASN 79 19.174 -5.430 -3.410 588 H THR 80 H THR 80 14.439 -2.895 -0.801 589 HA THR 80 HA THR 80 13.445 -3.907 1.692 590 HB THR 80 HB THR 80 13.502 -1.160 0.342 591 HG1 THR 80 1HG THR 80 15.561 -1.593 1.086 592 1HG2 THR 80 1HG2 THR 80 11.988 -0.574 1.983 593 2HG2 THR 80 2HG2 THR 80 12.224 -2.102 2.866 594 3HG2 THR 80 3HG2 THR 80 13.374 -0.761 3.084 595 H LEU 81 H LEU 81 11.989 -2.531 -1.313 596 HA LEU 81 HA LEU 81 9.368 -2.560 -0.409 597 1HB LEU 81 1HB LEU 81 9.888 -1.335 -2.334 598 2HB LEU 81 2HB LEU 81 10.649 -2.703 -3.122 599 HG LEU 81 HG LEU 81 8.370 -1.956 -3.988 600 1HD1 LEU 81 1HD1 LEU 81 8.321 -3.944 -4.977 601 2HD1 LEU 81 2HD1 LEU 81 9.592 -4.468 -3.847 602 3HD1 LEU 81 3HD1 LEU 81 7.880 -4.761 -3.458 603 1HD2 LEU 81 1HD2 LEU 81 7.249 -1.617 -1.860 604 2HD2 LEU 81 2HD2 LEU 81 6.398 -2.851 -2.819 605 3HD2 LEU 81 3HD2 LEU 81 7.436 -3.341 -1.459 606 H ASN 82 H ASN 82 11.158 -5.062 -2.346 607 HA ASN 82 HA ASN 82 9.203 -6.881 -2.551 608 1HB ASN 82 1HB ASN 82 12.203 -7.126 -2.164 609 2HB ASN 82 2HB ASN 82 11.242 -8.590 -2.226 610 1HD2 ASN 82 1HD2 ASN 82 11.921 -9.363 -4.138 611 2HD2 ASN 82 2HD2 ASN 82 11.648 -8.613 -5.675 612 H ASP 83 H ASP 83 11.664 -6.606 0.129 613 HA ASP 83 HA ASP 83 10.626 -8.661 1.651 614 1HB ASP 83 1HB ASP 83 12.669 -6.643 1.861 615 2HB ASP 83 2HB ASP 83 11.739 -6.589 3.345 616 H TRP 84 H TRP 84 9.882 -5.162 1.371 617 HA TRP 84 HA TRP 84 8.397 -4.846 3.704 618 1HB TRP 84 1HB TRP 84 8.872 -3.392 1.221 619 2HB TRP 84 2HB TRP 84 7.242 -3.166 1.823 620 HD1 TRP 84 HD TRP 84 10.105 -1.203 1.979 621 HE1 TRP 84 1HE TRP 84 10.529 0.140 4.211 622 HE3 TRP 84 3HE TRP 84 6.993 -3.997 4.871 623 HZ2 TRP 84 2HZ TRP 84 9.538 -0.111 6.875 624 HZ3 TRP 84 3HZ TRP 84 6.778 -3.381 7.277 625 HH2 TRP 84 HH TRP 84 7.988 -1.513 8.286 626 H GLU 85 H GLU 85 7.582 -6.054 0.407 627 HA GLU 85 HA GLU 85 4.846 -6.155 0.782 628 1HB GLU 85 1HB GLU 85 5.378 -6.442 -1.441 629 2HB GLU 85 2HB GLU 85 6.831 -7.359 -1.093 630 1HG GLU 85 1HG GLU 85 5.274 -9.282 -0.338 631 2HG GLU 85 2HG GLU 85 3.954 -8.366 -1.037 632 H THR 86 H THR 86 7.416 -8.661 1.299 633 HA THR 86 HA THR 86 5.678 -10.702 2.108 634 HB THR 86 HB THR 86 8.628 -10.046 2.439 635 HG1 THR 86 1HG THR 86 8.532 -11.330 0.636 636 1HG2 THR 86 1HG2 THR 86 8.182 -12.799 3.019 637 2HG2 THR 86 2HG2 THR 86 8.832 -11.570 4.131 638 3HG2 THR 86 3HG2 THR 86 7.083 -11.901 4.094 639 H LYS 87 H LYS 87 7.033 -7.906 3.839 640 HA LYS 87 HA LYS 87 6.282 -8.937 6.397 641 1HB LYS 87 1HB LYS 87 7.090 -6.134 5.567 642 2HB LYS 87 2HB LYS 87 6.978 -6.733 7.210 643 1HG LYS 87 1HG LYS 87 8.875 -8.100 7.000 644 2HG LYS 87 2HG LYS 87 8.688 -8.281 5.267 645 1HD LYS 87 1HD LYS 87 10.035 -6.499 4.853 646 2HD LYS 87 2HD LYS 87 9.102 -5.469 5.921 647 1HE LYS 87 1HE LYS 87 11.203 -7.464 6.893 648 2HE LYS 87 2HE LYS 87 11.527 -5.764 6.616 649 1HZ LYS 87 1HZ LYS 87 9.246 -5.981 8.186 650 2HZ LYS 87 2HZ LYS 87 10.397 -6.928 8.851 651 3HZ LYS 87 3HZ LYS 87 10.694 -5.344 8.591 652 H PHE 88 H PHE 88 4.894 -6.749 3.916 653 HA PHE 88 HA PHE 88 2.709 -6.007 5.597 654 1HB PHE 88 1HB PHE 88 3.898 -5.430 2.962 655 2HB PHE 88 2HB PHE 88 2.165 -5.626 2.793 656 HD1 PHE 88 1HD PHE 88 4.314 -4.056 5.421 657 HD2 PHE 88 2HD PHE 88 1.136 -3.575 2.651 658 HE1 PHE 88 1HE PHE 88 3.970 -1.703 6.225 659 HE2 PHE 88 2HE PHE 88 0.792 -1.222 3.454 660 HZ PHE 88 HZ PHE 88 2.213 -0.314 5.231 661 H GLU 89 H GLU 89 3.307 -8.358 2.935 662 HA GLU 89 HA GLU 89 0.589 -9.084 2.758 663 1HB GLU 89 1HB GLU 89 1.513 -9.759 0.797 664 2HB GLU 89 2HB GLU 89 3.129 -9.804 1.474 665 1HG GLU 89 1HG GLU 89 1.167 -11.967 2.260 666 2HG GLU 89 2HG GLU 89 1.916 -12.046 0.678 667 H ALA 90 H ALA 90 3.376 -10.099 4.707 668 HA ALA 90 HA ALA 90 2.063 -12.510 5.595 669 1HB ALA 90 1HB ALA 90 4.520 -12.377 5.246 670 2HB ALA 90 2HB ALA 90 4.620 -11.141 6.523 671 3HB ALA 90 3HB ALA 90 4.105 -12.796 6.925 672 H LYS 91 H LYS 91 1.246 -9.425 6.045 673 HA LYS 91 HA LYS 91 0.443 -9.932 8.807 674 1HB LYS 91 1HB LYS 91 2.160 -7.712 7.829 675 2HB LYS 91 2HB LYS 91 0.871 -7.264 8.928 676 1HG LYS 91 1HG LYS 91 2.127 -9.684 9.917 677 2HG LYS 91 2HG LYS 91 3.380 -8.511 9.561 678 1HD LYS 91 1HD LYS 91 2.434 -6.876 11.044 679 2HD LYS 91 2HD LYS 91 0.897 -7.714 11.127 680 1HE LYS 91 1HE LYS 91 3.347 -9.212 12.045 681 2HE LYS 91 2HE LYS 91 2.750 -7.929 13.079 682 1HZ LYS 91 1HZ LYS 91 0.557 -9.376 12.280 683 2HZ LYS 91 2HZ LYS 91 1.687 -10.482 12.690 684 3HZ LYS 91 3HZ LYS 91 1.231 -9.342 13.767 685 H TYR 92 H TYR 92 0.157 -7.477 6.135 686 HA TYR 92 HA TYR 92 -2.643 -7.162 6.766 687 1HB TYR 92 1HB TYR 92 -0.704 -6.094 4.621 688 2HB TYR 92 2HB TYR 92 -2.350 -5.517 4.787 689 HD1 TYR 92 1HD TYR 92 -2.597 -5.318 7.755 690 HD2 TYR 92 2HD TYR 92 0.618 -4.231 5.150 691 HE1 TYR 92 1HE TYR 92 -1.814 -3.579 9.436 692 HE2 TYR 92 2HE TYR 92 1.391 -2.496 6.840 693 HH TYR 92 HH TYR 92 0.565 -2.498 9.928 694 HA PRO 93 HA PRO 93 -3.854 -10.113 3.797 695 1HB PRO 93 1HB PRO 93 -6.558 -9.839 4.080 696 2HB PRO 93 2HB PRO 93 -5.584 -10.853 5.125 697 1HG PRO 93 1HG PRO 93 -6.778 -8.209 5.695 698 2HG PRO 93 2HG PRO 93 -6.179 -9.409 6.823 699 1HD PRO 93 1HD PRO 93 -4.862 -6.986 6.037 700 2HD PRO 93 2HD PRO 93 -4.215 -8.242 7.074 701 H VAL 94 H VAL 94 -4.390 -10.286 1.638 702 HA VAL 94 HA VAL 94 -4.791 -7.649 0.448 703 HB VAL 94 HB VAL 94 -2.963 -8.575 -0.553 704 1HG1 VAL 94 1HG1 VAL 94 -2.843 -11.043 -1.195 705 2HG1 VAL 94 2HG1 VAL 94 -2.800 -10.667 0.545 706 3HG1 VAL 94 3HG1 VAL 94 -4.302 -11.267 -0.201 707 1HG2 VAL 94 1HG2 VAL 94 -3.561 -9.362 -2.786 708 2HG2 VAL 94 2HG2 VAL 94 -5.211 -9.736 -2.233 709 3HG2 VAL 94 3HG2 VAL 94 -4.648 -8.048 -2.278 710 H VAL 95 H VAL 95 -6.874 -7.079 0.108 711 HA VAL 95 HA VAL 95 -8.821 -9.201 -0.303 712 HB VAL 95 HB VAL 95 -10.460 -7.454 0.056 713 1HG1 VAL 95 1HG1 VAL 95 -10.065 -8.162 2.159 714 2HG1 VAL 95 2HG1 VAL 95 -8.299 -8.028 1.982 715 3HG1 VAL 95 3HG1 VAL 95 -9.268 -6.584 2.361 716 1HG2 VAL 95 1HG2 VAL 95 -10.052 -5.196 0.129 717 2HG2 VAL 95 2HG2 VAL 95 -8.369 -5.402 0.669 718 3HG2 VAL 95 3HG2 VAL 95 -8.799 -5.691 -1.034 719 H GLY 96 H GLY 96 -6.618 -7.924 -2.245 720 1HA GLY 96 1HA GLY 96 -7.712 -8.538 -4.637 721 2HA GLY 96 2HA GLY 96 -8.264 -6.894 -4.383 722 H ARG 97 H ARG 97 -6.635 -7.292 -6.538 723 HA ARG 97 HA ARG 97 -4.077 -6.291 -5.569 724 1HB ARG 97 1HB ARG 97 -2.942 -7.457 -7.290 725 2HB ARG 97 2HB ARG 97 -4.187 -8.599 -6.823 726 1HG ARG 97 1HG ARG 97 -4.423 -8.603 -9.154 727 2HG ARG 97 2HG ARG 97 -5.633 -7.421 -8.694 728 1HD ARG 97 1HD ARG 97 -4.583 -5.861 -9.964 729 2HD ARG 97 2HD ARG 97 -3.167 -5.984 -8.939 730 HE ARG 97 HE ARG 97 -2.991 -8.206 -10.622 731 1HH1 ARG 97 2HH2 ARG 97 -3.217 -4.725 -11.087 732 2HH1 ARG 97 1HH2 ARG 97 -2.337 -4.738 -12.579 733 1HH2 ARG 97 2HH1 ARG 97 -1.830 -8.224 -12.590 734 2HH2 ARG 97 1HH1 ARG 97 -1.543 -6.742 -13.440 735 H VAL 98 H VAL 98 -3.523 -4.234 -6.272 736 HA VAL 98 HA VAL 98 -5.286 -2.556 -7.467 737 HB VAL 98 HB VAL 98 -2.291 -2.613 -7.283 738 1HG1 VAL 98 1HG1 VAL 98 -3.982 -0.737 -8.888 739 2HG1 VAL 98 2HG1 VAL 98 -2.619 -0.064 -7.963 740 3HG1 VAL 98 3HG1 VAL 98 -2.329 -1.327 -9.183 741 1HG2 VAL 98 1HG2 VAL 98 -4.563 -1.411 -5.796 742 2HG2 VAL 98 2HG2 VAL 98 -2.985 -1.995 -5.214 743 3HG2 VAL 98 3HG2 VAL 98 -3.115 -0.391 -5.976 744 H VAL 99 H VAL 99 -6.111 -2.260 -9.481 745 HA VAL 99 HA VAL 99 -4.766 -3.718 -11.649 746 HB VAL 99 HB VAL 99 -7.263 -3.265 -12.575 747 1HG1 VAL 99 1HG1 VAL 99 -6.472 -5.613 -10.818 748 2HG1 VAL 99 2HG1 VAL 99 -7.729 -5.600 -12.079 749 3HG1 VAL 99 3HG1 VAL 99 -6.016 -5.409 -12.527 750 1HG2 VAL 99 1HG2 VAL 99 -8.923 -3.556 -10.891 751 2HG2 VAL 99 2HG2 VAL 99 -7.699 -3.861 -9.636 752 3HG2 VAL 99 3HG2 VAL 99 -7.868 -2.234 -10.337 753 H SER 100 H SER 100 -7.346 -1.257 -11.929 754 HA SER 100 HA SER 100 -5.343 0.591 -12.937 755 1HB SER 100 1HB SER 100 -6.874 1.164 -14.841 756 2HB SER 100 2HB SER 100 -6.248 -0.471 -14.927 757 HG SER 100 HG SER 100 -8.391 -0.959 -13.656 Start of MODEL 15 1 1H GLY -1 H GLY -1 -9.867 -13.385 -11.781 2 1HA GLY -1 1HA GLY -1 -8.648 -14.300 -9.572 3 2HA GLY -1 2HA GLY -1 -8.425 -12.673 -10.184 4 HA PRO 0 HA PRO 0 -10.083 -12.049 -6.065 5 1HB PRO 0 1HB PRO 0 -8.464 -9.956 -5.382 6 2HB PRO 0 2HB PRO 0 -8.069 -11.627 -5.033 7 1HG PRO 0 1HG PRO 0 -6.944 -9.852 -7.112 8 2HG PRO 0 2HG PRO 0 -6.289 -11.346 -6.473 9 1HD PRO 0 1HD PRO 0 -7.610 -10.992 -8.994 10 2HD PRO 0 2HD PRO 0 -7.058 -12.505 -8.303 11 H MET 1 H MET 1 -10.251 -9.445 -5.021 12 HA MET 1 HA MET 1 -12.492 -8.628 -6.519 13 1HB MET 1 1HB MET 1 -10.917 -7.307 -4.238 14 2HB MET 1 2HB MET 1 -12.457 -6.707 -4.822 15 1HG MET 1 1HG MET 1 -13.306 -9.176 -4.366 16 2HG MET 1 2HG MET 1 -11.877 -9.303 -3.360 17 1HE MET 1 1HE MET 1 -14.683 -7.268 -4.457 18 2HE MET 1 2HE MET 1 -15.734 -7.521 -3.044 19 3HE MET 1 3HE MET 1 -14.870 -5.978 -3.245 20 H GLU 2 H GLU 2 -9.069 -7.644 -6.329 21 HA GLU 2 HA GLU 2 -7.893 -6.147 -7.381 22 1HB GLU 2 1HB GLU 2 -9.794 -6.106 -9.720 23 2HB GLU 2 2HB GLU 2 -8.043 -6.163 -9.720 24 1HG GLU 2 1HG GLU 2 -8.189 -8.518 -8.756 25 2HG GLU 2 2HG GLU 2 -9.927 -8.444 -8.962 26 H PHE 3 H PHE 3 -7.893 -4.142 -6.438 27 HA PHE 3 HA PHE 3 -10.244 -2.461 -6.923 28 1HB PHE 3 1HB PHE 3 -8.030 -2.617 -4.806 29 2HB PHE 3 2HB PHE 3 -9.045 -1.194 -4.929 30 HD1 PHE 3 1HD PHE 3 -11.322 -1.225 -4.167 31 HD2 PHE 3 2HD PHE 3 -9.002 -4.778 -4.115 32 HE1 PHE 3 1HE PHE 3 -13.045 -2.329 -2.713 33 HE2 PHE 3 2HE PHE 3 -10.725 -5.882 -2.661 34 HZ PHE 3 HZ PHE 3 -12.726 -4.644 -1.978 35 H THR 4 H THR 4 -10.047 -0.580 -8.083 36 HA THR 4 HA THR 4 -7.547 -0.090 -9.395 37 HB THR 4 HB THR 4 -8.909 1.663 -10.539 38 HG1 THR 4 1HG THR 4 -10.707 2.361 -9.429 39 1HG2 THR 4 1HG2 THR 4 -10.424 -0.948 -10.014 40 2HG2 THR 4 2HG2 THR 4 -10.899 0.246 -11.246 41 3HG2 THR 4 3HG2 THR 4 -9.343 -0.608 -11.387 42 H ALA 5 H ALA 5 -6.368 1.937 -9.389 43 HA ALA 5 HA ALA 5 -5.604 2.705 -6.863 44 1HB ALA 5 1HB ALA 5 -4.628 4.711 -8.132 45 2HB ALA 5 2HB ALA 5 -4.156 3.096 -8.714 46 3HB ALA 5 3HB ALA 5 -5.396 4.029 -9.586 47 H GLU 6 H GLU 6 -8.274 3.844 -8.920 48 HA GLU 6 HA GLU 6 -8.704 6.204 -7.450 49 1HB GLU 6 1HB GLU 6 -10.270 4.627 -9.500 50 2HB GLU 6 2HB GLU 6 -11.063 5.929 -8.636 51 1HG GLU 6 1HG GLU 6 -9.281 7.516 -9.361 52 2HG GLU 6 2HG GLU 6 -8.450 6.218 -10.194 53 H GLN 7 H GLN 7 -10.162 2.893 -7.429 54 HA GLN 7 HA GLN 7 -11.992 3.565 -5.393 55 1HB GLN 7 1HB GLN 7 -11.038 0.898 -6.512 56 2HB GLN 7 2HB GLN 7 -12.289 1.024 -5.291 57 1HG GLN 7 1HG GLN 7 -12.506 2.624 -7.863 58 2HG GLN 7 2HG GLN 7 -12.973 0.934 -7.838 59 1HE2 GLN 7 1HE2 GLN 7 -14.419 3.592 -8.062 60 2HE2 GLN 7 2HE2 GLN 7 -15.727 3.500 -6.930 61 H LEU 8 H LEU 8 -8.706 2.149 -5.532 62 HA LEU 8 HA LEU 8 -8.643 1.281 -2.856 63 1HB LEU 8 1HB LEU 8 -7.098 0.280 -4.235 64 2HB LEU 8 2HB LEU 8 -6.645 1.781 -5.019 65 HG LEU 8 HG LEU 8 -5.785 2.297 -2.496 66 1HD1 LEU 8 1HD1 LEU 8 -6.431 -0.410 -2.352 67 2HD1 LEU 8 2HD1 LEU 8 -4.663 -0.380 -2.556 68 3HD1 LEU 8 3HD1 LEU 8 -5.420 0.516 -1.217 69 1HD2 LEU 8 1HD2 LEU 8 -3.532 1.740 -3.308 70 2HD2 LEU 8 2HD2 LEU 8 -4.250 0.850 -4.673 71 3HD2 LEU 8 3HD2 LEU 8 -4.491 2.608 -4.531 72 H SER 9 H SER 9 -8.209 4.415 -4.454 73 HA SER 9 HA SER 9 -6.917 5.580 -2.220 74 1HB SER 9 1HB SER 9 -7.204 7.696 -3.453 75 2HB SER 9 2HB SER 9 -6.594 6.442 -4.514 76 HG SER 9 HG SER 9 -9.308 7.429 -4.337 77 H GLN 10 H GLN 10 -9.918 4.307 -2.434 78 HA GLN 10 HA GLN 10 -11.250 6.546 -1.158 79 1HB GLN 10 1HB GLN 10 -12.541 3.901 -1.903 80 2HB GLN 10 2HB GLN 10 -13.317 5.454 -1.662 81 1HG GLN 10 1HG GLN 10 -12.032 6.335 -3.676 82 2HG GLN 10 2HG GLN 10 -11.435 4.710 -3.950 83 1HE2 GLN 10 1HE2 GLN 10 -13.402 3.041 -3.602 84 2HE2 GLN 10 2HE2 GLN 10 -14.767 3.350 -4.623 85 H TYR 11 H TYR 11 -9.107 4.504 -0.067 86 HA TYR 11 HA TYR 11 -10.564 4.021 2.423 87 1HB TYR 11 1HB TYR 11 -8.629 2.071 1.038 88 2HB TYR 11 2HB TYR 11 -9.624 1.722 2.438 89 HD1 TYR 11 1HD TYR 11 -12.190 1.730 2.117 90 HD2 TYR 11 2HD TYR 11 -9.411 1.598 -1.133 91 HE1 TYR 11 1HE TYR 11 -14.007 0.816 0.591 92 HE2 TYR 11 2HE TYR 11 -11.237 0.684 -2.648 93 HH TYR 11 HH TYR 11 -13.269 -0.042 -2.776 94 H ASN 12 H ASN 12 -8.821 6.192 1.863 95 HA ASN 12 HA ASN 12 -6.246 5.389 2.841 96 1HB ASN 12 1HB ASN 12 -5.508 7.462 2.070 97 2HB ASN 12 2HB ASN 12 -6.952 7.326 1.087 98 1HD2 ASN 12 1HD2 ASN 12 -9.022 7.963 2.428 99 2HD2 ASN 12 2HD2 ASN 12 -8.944 9.510 3.203 100 H GLY 13 H GLY 13 -8.988 5.401 4.398 101 1HA GLY 13 1HA GLY 13 -9.532 5.637 6.578 102 2HA GLY 13 2HA GLY 13 -7.929 6.268 6.902 103 H THR 14 H THR 14 -11.283 7.035 6.427 104 HA THR 14 HA THR 14 -11.119 9.569 7.467 105 HB THR 14 HB THR 14 -10.041 9.524 4.837 106 HG1 THR 14 1HG THR 14 -11.307 11.688 6.360 107 1HG2 THR 14 1HG2 THR 14 -12.644 11.119 4.911 108 2HG2 THR 14 2HG2 THR 14 -11.536 10.901 3.535 109 3HG2 THR 14 3HG2 THR 14 -12.533 9.539 4.100 110 H ASP 15 H ASP 15 -12.699 7.323 5.192 111 HA ASP 15 HA ASP 15 -15.203 8.556 5.386 112 1HB ASP 15 1HB ASP 15 -14.269 5.767 4.603 113 2HB ASP 15 2HB ASP 15 -15.973 6.174 4.621 114 H GLU 16 H GLU 16 -17.070 6.635 6.113 115 HA GLU 16 HA GLU 16 -16.453 6.294 8.925 116 1HB GLU 16 1HB GLU 16 -18.990 6.587 7.325 117 2HB GLU 16 2HB GLU 16 -19.071 5.737 8.855 118 1HG GLU 16 1HG GLU 16 -17.530 7.989 9.482 119 2HG GLU 16 2HG GLU 16 -18.686 8.622 8.327 120 H SER 17 H SER 17 -17.897 4.513 6.109 121 HA SER 17 HA SER 17 -17.550 2.060 7.599 122 1HB SER 17 1HB SER 17 -19.123 2.905 5.180 123 2HB SER 17 2HB SER 17 -18.642 1.223 5.274 124 HG SER 17 HG SER 17 -19.555 1.593 7.665 125 H LYS 18 H LYS 18 -16.649 3.590 4.433 126 HA LYS 18 HA LYS 18 -15.220 1.687 3.237 127 1HB LYS 18 1HB LYS 18 -15.177 4.599 3.311 128 2HB LYS 18 2HB LYS 18 -13.588 3.944 2.974 129 1HG LYS 18 1HG LYS 18 -15.039 4.322 0.917 130 2HG LYS 18 2HG LYS 18 -14.388 2.702 1.064 131 1HD LYS 18 1HD LYS 18 -16.813 2.563 2.483 132 2HD LYS 18 2HD LYS 18 -17.196 3.600 1.123 133 1HE LYS 18 1HE LYS 18 -17.443 1.690 -0.092 134 2HE LYS 18 2HE LYS 18 -15.694 1.580 -0.083 135 1HZ LYS 18 1HZ LYS 18 -17.520 -0.093 1.169 136 2HZ LYS 18 2HZ LYS 18 -15.893 -0.229 1.124 137 3HZ LYS 18 3HZ LYS 18 -16.610 0.600 2.335 138 HA PRO 19 HA PRO 19 -12.206 0.561 6.172 139 1HB PRO 19 1HB PRO 19 -11.086 -1.494 4.761 140 2HB PRO 19 2HB PRO 19 -12.518 -1.682 5.754 141 1HG PRO 19 1HG PRO 19 -12.310 -1.548 2.808 142 2HG PRO 19 2HG PRO 19 -13.632 -2.149 3.789 143 1HD PRO 19 1HD PRO 19 -13.517 0.370 2.422 144 2HD PRO 19 2HD PRO 19 -14.786 -0.183 3.497 145 H ILE 20 H ILE 20 -9.676 -0.445 5.616 146 HA ILE 20 HA ILE 20 -8.546 1.831 4.145 147 HB ILE 20 HB ILE 20 -7.486 0.578 6.680 148 1HG1 ILE 20 1HG1 ILE 20 -7.955 3.319 7.055 149 2HG1 ILE 20 2HG1 ILE 20 -9.379 2.734 6.218 150 1HG2 ILE 20 1HG2 ILE 20 -6.163 2.034 4.610 151 2HG2 ILE 20 2HG2 ILE 20 -6.238 3.056 6.065 152 3HG2 ILE 20 3HG2 ILE 20 -5.511 1.433 6.154 153 1HD1 ILE 20 1HD1 ILE 20 -9.716 0.971 7.890 154 2HD1 ILE 20 2HD1 ILE 20 -8.187 1.402 8.693 155 3HD1 ILE 20 3HD1 ILE 20 -9.557 2.539 8.717 156 H TYR 21 H TYR 21 -7.505 1.173 2.350 157 HA TYR 21 HA TYR 21 -6.252 -1.488 2.451 158 1HB TYR 21 1HB TYR 21 -7.744 0.047 0.233 159 2HB TYR 21 2HB TYR 21 -6.881 -1.450 -0.064 160 HD1 TYR 21 1HD TYR 21 -7.859 -2.457 2.874 161 HD2 TYR 21 2HD TYR 21 -9.773 -1.079 -0.696 162 HE1 TYR 21 1HE TYR 21 -9.947 -3.777 3.475 163 HE2 TYR 21 2HE TYR 21 -11.855 -2.404 -0.082 164 HH TYR 21 HH TYR 21 -11.924 -4.389 2.866 165 H VAL 22 H VAL 22 -4.168 -1.657 1.641 166 HA VAL 22 HA VAL 22 -3.034 0.855 0.618 167 HB VAL 22 HB VAL 22 -1.531 -1.290 2.107 168 1HG1 VAL 22 1HG1 VAL 22 -0.730 1.561 2.222 169 2HG1 VAL 22 2HG1 VAL 22 0.259 0.094 2.027 170 3HG1 VAL 22 3HG1 VAL 22 -0.595 0.785 0.626 171 1HG2 VAL 22 1HG2 VAL 22 -2.620 1.232 3.381 172 2HG2 VAL 22 2HG2 VAL 22 -3.467 -0.332 3.459 173 3HG2 VAL 22 3HG2 VAL 22 -1.844 -0.162 4.170 174 H ALA 23 H ALA 23 -1.451 0.674 -1.084 175 HA ALA 23 HA ALA 23 -1.741 -1.848 -2.559 176 1HB ALA 23 1HB ALA 23 -1.264 1.021 -3.441 177 2HB ALA 23 2HB ALA 23 -1.117 -0.376 -4.534 178 3HB ALA 23 3HB ALA 23 -2.682 -0.002 -3.774 179 H ILE 24 H ILE 24 0.063 -3.054 -3.021 180 HA ILE 24 HA ILE 24 2.660 -1.779 -2.712 181 HB ILE 24 HB ILE 24 1.562 -3.944 -0.981 182 1HG1 ILE 24 1HG1 ILE 24 3.303 -1.504 -0.596 183 2HG1 ILE 24 2HG1 ILE 24 1.686 -1.789 0.016 184 1HG2 ILE 24 1HG2 ILE 24 4.215 -3.995 -2.280 185 2HG2 ILE 24 2HG2 ILE 24 4.220 -4.222 -0.515 186 3HG2 ILE 24 3HG2 ILE 24 3.259 -5.307 -1.549 187 1HD1 ILE 24 1HD1 ILE 24 3.024 -3.964 1.063 188 2HD1 ILE 24 2HD1 ILE 24 4.299 -2.722 1.074 189 3HD1 ILE 24 3HD1 ILE 24 2.765 -2.430 1.927 190 H LYS 25 H LYS 25 3.612 -2.106 -4.646 191 HA LYS 25 HA LYS 25 4.368 -3.129 -6.450 192 1HB LYS 25 1HB LYS 25 3.715 -5.637 -4.882 193 2HB LYS 25 2HB LYS 25 4.516 -5.654 -6.440 194 1HG LYS 25 1HG LYS 25 5.552 -4.017 -4.084 195 2HG LYS 25 2HG LYS 25 6.049 -5.673 -4.369 196 1HD LYS 25 1HD LYS 25 6.308 -3.481 -6.477 197 2HD LYS 25 2HD LYS 25 7.587 -3.865 -5.343 198 1HE LYS 25 1HE LYS 25 6.377 -5.725 -7.438 199 2HE LYS 25 2HE LYS 25 8.009 -5.088 -7.413 200 1HZ LYS 25 1HZ LYS 25 8.127 -6.259 -5.162 201 2HZ LYS 25 2HZ LYS 25 6.832 -7.111 -5.677 202 3HZ LYS 25 3HZ LYS 25 8.231 -7.166 -6.516 203 H GLY 26 H GLY 26 1.335 -2.583 -5.753 204 1HA GLY 26 1HA GLY 26 -0.294 -2.321 -7.411 205 2HA GLY 26 2HA GLY 26 0.369 -3.678 -8.299 206 H ARG 27 H ARG 27 0.172 -4.163 -4.850 207 HA ARG 27 HA ARG 27 -2.234 -5.739 -5.306 208 1HB ARG 27 1HB ARG 27 0.235 -6.694 -4.544 209 2HB ARG 27 2HB ARG 27 -0.480 -6.404 -2.971 210 1HG ARG 27 1HG ARG 27 -2.585 -7.660 -4.039 211 2HG ARG 27 2HG ARG 27 -1.386 -8.300 -5.145 212 1HD ARG 27 1HD ARG 27 -0.232 -8.530 -2.544 213 2HD ARG 27 2HD ARG 27 -1.898 -9.044 -2.369 214 HE ARG 27 HE ARG 27 -0.689 -10.208 -4.739 215 1HH1 ARG 27 2HH2 ARG 27 -0.881 -10.523 -1.239 216 2HH1 ARG 27 1HH2 ARG 27 -0.512 -12.216 -1.244 217 1HH2 ARG 27 2HH1 ARG 27 -0.202 -12.440 -4.745 218 2HH2 ARG 27 1HH1 ARG 27 -0.123 -13.313 -3.251 219 H VAL 28 H VAL 28 -4.009 -5.271 -4.007 220 HA VAL 28 HA VAL 28 -3.720 -3.093 -2.145 221 HB VAL 28 HB VAL 28 -6.030 -4.689 -3.241 222 1HG1 VAL 28 1HG1 VAL 28 -5.925 -3.138 -0.775 223 2HG1 VAL 28 2HG1 VAL 28 -7.114 -2.481 -1.924 224 3HG1 VAL 28 3HG1 VAL 28 -7.217 -4.183 -1.414 225 1HG2 VAL 28 1HG2 VAL 28 -6.474 -2.017 -3.745 226 2HG2 VAL 28 2HG2 VAL 28 -4.703 -2.144 -3.880 227 3HG2 VAL 28 3HG2 VAL 28 -5.748 -3.179 -4.883 228 H PHE 29 H PHE 29 -3.322 -3.318 -0.009 229 HA PHE 29 HA PHE 29 -3.910 -5.950 1.154 230 1HB PHE 29 1HB PHE 29 -1.732 -3.832 1.577 231 2HB PHE 29 2HB PHE 29 -2.020 -5.068 2.786 232 HD1 PHE 29 1HD PHE 29 -1.983 -7.542 1.885 233 HD2 PHE 29 2HD PHE 29 -0.190 -4.246 -0.098 234 HE1 PHE 29 1HE PHE 29 -0.473 -9.113 0.639 235 HE2 PHE 29 2HE PHE 29 1.320 -5.817 -1.344 236 HZ PHE 29 HZ PHE 29 1.160 -8.232 -0.961 237 H ASP 30 H ASP 30 -4.825 -6.023 3.268 238 HA ASP 30 HA ASP 30 -6.251 -3.604 3.896 239 1HB ASP 30 1HB ASP 30 -6.497 -6.521 4.528 240 2HB ASP 30 2HB ASP 30 -7.054 -5.431 5.782 241 H VAL 31 H VAL 31 -5.758 -2.338 5.729 242 HA VAL 31 HA VAL 31 -3.919 -3.505 7.689 243 HB VAL 31 HB VAL 31 -2.610 -1.499 7.728 244 1HG1 VAL 31 1HG1 VAL 31 -1.324 -2.092 5.976 245 2HG1 VAL 31 2HG1 VAL 31 -2.559 -3.344 5.700 246 3HG1 VAL 31 3HG1 VAL 31 -2.627 -1.812 4.796 247 1HG2 VAL 31 1HG2 VAL 31 -4.820 -0.425 6.061 248 2HG2 VAL 31 2HG2 VAL 31 -3.798 0.380 7.275 249 3HG2 VAL 31 3HG2 VAL 31 -3.179 0.112 5.628 250 H THR 32 H THR 32 -6.959 -2.569 7.159 251 HA THR 32 HA THR 32 -7.542 -0.502 8.891 252 HB THR 32 HB THR 32 -9.420 -1.140 7.704 253 HG1 THR 32 1HG THR 32 -10.242 -1.507 9.791 254 1HG2 THR 32 1HG2 THR 32 -8.709 -3.004 6.423 255 2HG2 THR 32 2HG2 THR 32 -8.195 -3.914 7.864 256 3HG2 THR 32 3HG2 THR 32 -9.927 -3.741 7.491 257 H THR 33 H THR 33 -6.408 -3.742 9.610 258 HA THR 33 HA THR 33 -7.435 -4.039 12.179 259 HB THR 33 HB THR 33 -5.700 -5.737 12.365 260 HG1 THR 33 1HG THR 33 -3.940 -4.279 11.751 261 1HG2 THR 33 1HG2 THR 33 -5.562 -5.960 9.474 262 2HG2 THR 33 2HG2 THR 33 -6.502 -6.957 10.610 263 3HG2 THR 33 3HG2 THR 33 -7.211 -5.471 9.933 264 H GLY 34 H GLY 34 -5.466 -1.544 11.004 265 1HA GLY 34 1HA GLY 34 -4.926 -0.680 13.732 266 2HA GLY 34 2HA GLY 34 -3.524 -0.961 12.719 267 H LYS 35 H LYS 35 -6.810 0.354 11.905 268 HA LYS 35 HA LYS 35 -5.933 2.227 10.116 269 1HB LYS 35 1HB LYS 35 -8.105 2.892 10.027 270 2HB LYS 35 2HB LYS 35 -8.332 1.379 10.881 271 1HG LYS 35 1HG LYS 35 -8.308 2.574 13.060 272 2HG LYS 35 2HG LYS 35 -8.003 4.094 12.243 273 1HD LYS 35 1HD LYS 35 -10.205 3.539 10.895 274 2HD LYS 35 2HD LYS 35 -10.521 2.401 12.189 275 1HE LYS 35 1HE LYS 35 -9.685 5.095 13.136 276 2HE LYS 35 2HE LYS 35 -11.193 5.093 12.243 277 1HZ LYS 35 1HZ LYS 35 -11.728 3.106 13.749 278 2HZ LYS 35 2HZ LYS 35 -10.549 3.695 14.713 279 3HZ LYS 35 3HZ LYS 35 -11.851 4.615 14.359 280 H SER 36 H SER 36 -5.646 2.196 13.606 281 HA SER 36 HA SER 36 -5.566 4.885 14.114 282 1HB SER 36 1HB SER 36 -4.867 2.429 15.458 283 2HB SER 36 2HB SER 36 -3.568 3.576 15.720 284 HG SER 36 HG SER 36 -6.234 3.628 16.637 285 H PHE 37 H PHE 37 -3.430 2.911 12.223 286 HA PHE 37 HA PHE 37 -1.308 4.922 12.440 287 1HB PHE 37 1HB PHE 37 -1.422 2.046 11.348 288 2HB PHE 37 2HB PHE 37 0.027 3.030 11.336 289 HD1 PHE 37 1HD PHE 37 -2.542 1.783 13.743 290 HD2 PHE 37 2HD PHE 37 1.527 2.782 13.073 291 HE1 PHE 37 1HE PHE 37 -1.960 0.952 16.039 292 HE2 PHE 37 2HE PHE 37 2.110 1.951 15.368 293 HZ PHE 37 HZ PHE 37 0.359 1.046 16.824 294 H TYR 38 H TYR 38 -3.282 2.968 10.121 295 HA TYR 38 HA TYR 38 -2.284 4.583 7.921 296 1HB TYR 38 1HB TYR 38 -3.573 1.972 8.480 297 2HB TYR 38 2HB TYR 38 -4.418 2.803 7.190 298 HD1 TYR 38 1HD TYR 38 -1.734 0.643 7.951 299 HD2 TYR 38 2HD TYR 38 -2.864 3.779 5.269 300 HE1 TYR 38 1HE TYR 38 0.025 -0.135 6.288 301 HE2 TYR 38 2HE TYR 38 -1.102 2.990 3.615 302 HH TYR 38 HH TYR 38 1.324 0.788 4.482 303 H GLY 39 H GLY 39 -5.270 4.008 9.836 304 1HA GLY 39 1HA GLY 39 -7.211 5.177 8.369 305 2HA GLY 39 2HA GLY 39 -7.072 5.346 10.107 306 H SER 40 H SER 40 -8.248 7.422 8.753 307 HA SER 40 HA SER 40 -6.926 9.342 7.568 308 1HB SER 40 1HB SER 40 -9.294 9.478 8.342 309 2HB SER 40 2HB SER 40 -8.745 9.775 9.979 310 HG SER 40 HG SER 40 -7.478 11.567 8.405 311 H GLY 41 H GLY 41 -5.143 10.643 7.905 312 1HA GLY 41 1HA GLY 41 -3.233 11.324 8.906 313 2HA GLY 41 2HA GLY 41 -4.329 11.923 10.135 314 H GLY 42 H GLY 42 -2.195 9.225 9.171 315 1HA GLY 42 1HA GLY 42 -1.819 8.561 11.984 316 2HA GLY 42 2HA GLY 42 -2.487 7.297 10.971 317 H ASP 43 H ASP 43 -0.234 6.436 11.908 318 HA ASP 43 HA ASP 43 2.161 7.241 11.188 319 1HB ASP 43 1HB ASP 43 0.938 4.738 11.841 320 2HB ASP 43 2HB ASP 43 1.964 4.426 10.455 321 H TYR 44 H TYR 44 -0.104 5.300 9.100 322 HA TYR 44 HA TYR 44 1.589 5.938 6.789 323 1HB TYR 44 1HB TYR 44 -0.787 4.027 6.870 324 2HB TYR 44 2HB TYR 44 0.668 3.890 5.903 325 HD1 TYR 44 1HD TYR 44 -1.034 2.499 8.591 326 HD2 TYR 44 2HD TYR 44 2.914 3.673 7.436 327 HE1 TYR 44 1HE TYR 44 -0.050 0.884 10.289 328 HE2 TYR 44 2HE TYR 44 3.886 2.054 9.139 329 HH TYR 44 HH TYR 44 3.324 0.149 10.332 330 H SER 45 H SER 45 0.405 8.199 7.314 331 HA SER 45 HA SER 45 -2.284 8.313 6.472 332 1HB SER 45 1HB SER 45 -2.177 10.548 7.064 333 2HB SER 45 2HB SER 45 -0.812 9.946 7.982 334 HG SER 45 HG SER 45 0.093 11.635 6.916 335 H MET 46 H MET 46 0.918 8.613 4.942 336 HA MET 46 HA MET 46 -0.185 9.712 2.546 337 1HB MET 46 1HB MET 46 2.257 9.274 1.754 338 2HB MET 46 2HB MET 46 2.065 10.396 3.086 339 1HG MET 46 1HG MET 46 2.339 7.536 3.899 340 2HG MET 46 2HG MET 46 3.756 8.215 3.124 341 1HE MET 46 1HE MET 46 4.454 11.390 5.125 342 2HE MET 46 2HE MET 46 4.020 10.831 3.492 343 3HE MET 46 3HE MET 46 2.784 11.572 4.537 344 H PHE 47 H PHE 47 0.643 6.532 3.875 345 HA PHE 47 HA PHE 47 0.659 5.231 1.332 346 1HB PHE 47 1HB PHE 47 0.291 4.173 4.198 347 2HB PHE 47 2HB PHE 47 0.801 3.214 2.823 348 HD1 PHE 47 1HD PHE 47 2.365 3.219 5.277 349 HD2 PHE 47 2HD PHE 47 2.537 5.871 1.968 350 HE1 PHE 47 1HE PHE 47 4.764 3.729 5.810 351 HE2 PHE 47 2HE PHE 47 4.936 6.381 2.502 352 HZ PHE 47 HZ PHE 47 6.021 5.304 4.417 353 H ALA 48 H ALA 48 -1.709 5.912 3.925 354 HA ALA 48 HA ALA 48 -3.646 4.080 3.406 355 1HB ALA 48 1HB ALA 48 -3.396 6.256 5.001 356 2HB ALA 48 2HB ALA 48 -4.540 6.899 3.799 357 3HB ALA 48 3HB ALA 48 -4.947 5.430 4.718 358 H GLY 49 H GLY 49 -5.067 3.628 1.770 359 1HA GLY 49 1HA GLY 49 -5.886 3.659 -0.331 360 2HA GLY 49 2HA GLY 49 -6.263 5.334 0.019 361 H LYS 50 H LYS 50 -2.961 3.905 -0.182 362 HA LYS 50 HA LYS 50 -2.547 4.898 -2.831 363 1HB LYS 50 1HB LYS 50 -1.329 6.362 -0.477 364 2HB LYS 50 2HB LYS 50 -0.689 6.461 -2.105 365 1HG LYS 50 1HG LYS 50 -3.148 7.080 -2.803 366 2HG LYS 50 2HG LYS 50 -3.403 7.384 -1.096 367 1HD LYS 50 1HD LYS 50 -2.470 9.433 -1.345 368 2HD LYS 50 2HD LYS 50 -0.942 8.670 -1.735 369 1HE LYS 50 1HE LYS 50 -3.127 9.105 -3.820 370 2HE LYS 50 2HE LYS 50 -1.890 10.303 -3.494 371 1HZ LYS 50 1HZ LYS 50 -1.339 8.762 -5.296 372 2HZ LYS 50 2HZ LYS 50 -0.227 8.742 -4.099 373 3HZ LYS 50 3HZ LYS 50 -1.303 7.521 -4.235 374 H ASP 51 H ASP 51 -0.549 4.119 -3.732 375 HA ASP 51 HA ASP 51 0.346 1.796 -2.316 376 1HB ASP 51 1HB ASP 51 -0.162 1.807 -4.791 377 2HB ASP 51 2HB ASP 51 1.175 2.912 -5.037 378 H ALA 52 H ALA 52 2.187 1.864 -1.017 379 HA ALA 52 HA ALA 52 4.071 4.065 -1.503 380 1HB ALA 52 1HB ALA 52 4.600 3.926 0.864 381 2HB ALA 52 2HB ALA 52 2.834 4.048 0.682 382 3HB ALA 52 3HB ALA 52 3.584 2.476 1.047 383 H SER 53 H SER 53 4.600 2.285 -3.316 384 HA SER 53 HA SER 53 6.014 0.039 -2.359 385 1HB SER 53 1HB SER 53 5.394 1.281 -5.004 386 2HB SER 53 2HB SER 53 6.852 0.310 -4.955 387 HG SER 53 HG SER 53 4.802 -0.851 -5.493 388 H ARG 54 H ARG 54 6.999 3.123 -4.028 389 HA ARG 54 HA ARG 54 9.720 2.601 -3.697 390 1HB ARG 54 1HB ARG 54 8.687 5.431 -3.940 391 2HB ARG 54 2HB ARG 54 10.052 4.686 -4.748 392 1HG ARG 54 1HG ARG 54 7.925 3.159 -5.693 393 2HG ARG 54 2HG ARG 54 7.192 4.744 -5.542 394 1HD ARG 54 1HD ARG 54 9.917 4.665 -6.801 395 2HD ARG 54 2HD ARG 54 8.613 3.962 -7.737 396 HE ARG 54 HE ARG 54 7.613 6.419 -6.809 397 1HH1 ARG 54 2HH2 ARG 54 10.309 5.350 -8.802 398 2HH1 ARG 54 1HH2 ARG 54 10.358 6.805 -9.741 399 1HH2 ARG 54 2HH1 ARG 54 7.677 8.339 -8.047 400 2HH2 ARG 54 1HH1 ARG 54 8.851 8.517 -9.308 401 H ALA 55 H ALA 55 7.259 4.468 -1.844 402 HA ALA 55 HA ALA 55 9.009 5.752 -0.095 403 1HB ALA 55 1HB ALA 55 6.131 5.208 -0.360 404 2HB ALA 55 2HB ALA 55 6.668 5.316 1.333 405 3HB ALA 55 3HB ALA 55 6.968 6.669 0.217 406 H LEU 56 H LEU 56 7.460 2.501 -0.037 407 HA LEU 56 HA LEU 56 8.394 1.887 2.566 408 1HB LEU 56 1HB LEU 56 7.187 0.337 0.298 409 2HB LEU 56 2HB LEU 56 7.847 -0.498 1.691 410 HG LEU 56 HG LEU 56 5.722 1.650 1.894 411 1HD1 LEU 56 1HD1 LEU 56 5.070 -1.253 2.198 412 2HD1 LEU 56 2HD1 LEU 56 4.033 0.113 1.723 413 3HD1 LEU 56 3HD1 LEU 56 5.198 -0.565 0.562 414 1HD2 LEU 56 1HD2 LEU 56 7.357 0.489 3.839 415 2HD2 LEU 56 2HD2 LEU 56 5.873 1.436 4.100 416 3HD2 LEU 56 3HD2 LEU 56 5.790 -0.340 4.001 417 H GLY 57 H GLY 57 9.517 1.082 -0.783 418 1HA GLY 57 1HA GLY 57 11.671 -0.521 -0.121 419 2HA GLY 57 2HA GLY 57 11.543 0.487 -1.549 420 H LYS 58 H LYS 58 12.089 2.887 -1.271 421 HA LYS 58 HA LYS 58 14.634 3.123 -0.173 422 1HB LYS 58 1HB LYS 58 12.789 5.443 -0.757 423 2HB LYS 58 2HB LYS 58 14.537 5.387 -0.866 424 1HG LYS 58 1HG LYS 58 14.399 4.718 -3.025 425 2HG LYS 58 2HG LYS 58 13.525 3.279 -2.538 426 1HD LYS 58 1HD LYS 58 11.582 4.100 -3.371 427 2HD LYS 58 2HD LYS 58 11.727 5.557 -2.407 428 1HE LYS 58 1HE LYS 58 13.603 5.511 -4.697 429 2HE LYS 58 2HE LYS 58 11.926 5.416 -5.195 430 1HZ LYS 58 1HZ LYS 58 12.514 7.352 -3.149 431 2HZ LYS 58 2HZ LYS 58 13.133 7.676 -4.625 432 3HZ LYS 58 3HZ LYS 58 11.524 7.470 -4.442 433 H MET 59 H MET 59 11.470 3.264 1.283 434 HA MET 59 HA MET 59 10.897 3.408 3.388 435 1HB MET 59 1HB MET 59 13.755 4.160 4.171 436 2HB MET 59 2HB MET 59 12.552 3.368 5.169 437 1HG MET 59 1HG MET 59 12.641 1.479 3.297 438 2HG MET 59 2HG MET 59 14.185 2.204 2.896 439 1HE MET 59 1HE MET 59 13.378 -0.801 6.002 440 2HE MET 59 2HE MET 59 12.151 0.487 6.002 441 3HE MET 59 3HE MET 59 12.544 -0.367 4.491 442 H SER 60 H SER 60 10.509 5.582 1.711 443 HA SER 60 HA SER 60 11.029 7.794 3.540 444 1HB SER 60 1HB SER 60 12.034 7.582 0.968 445 2HB SER 60 2HB SER 60 10.564 8.494 0.691 446 HG SER 60 HG SER 60 12.342 9.255 2.818 447 H LYS 61 H LYS 61 9.271 9.273 3.872 448 HA LYS 61 HA LYS 61 6.700 8.137 3.142 449 1HB LYS 61 1HB LYS 61 5.791 9.501 4.877 450 2HB LYS 61 2HB LYS 61 7.242 8.745 5.503 451 1HG LYS 61 1HG LYS 61 8.515 10.878 4.862 452 2HG LYS 61 2HG LYS 61 6.966 11.612 4.497 453 1HD LYS 61 1HD LYS 61 6.618 12.064 6.690 454 2HD LYS 61 2HD LYS 61 6.762 10.364 7.094 455 1HE LYS 61 1HE LYS 61 9.392 10.883 6.784 456 2HE LYS 61 2HE LYS 61 8.873 12.517 7.150 457 1HZ LYS 61 1HZ LYS 61 7.824 11.662 9.145 458 2HZ LYS 61 2HZ LYS 61 8.340 10.150 8.808 459 3HZ LYS 61 3HZ LYS 61 9.423 11.327 9.137 460 H ASN 62 H ASN 62 8.630 9.570 1.230 461 HA ASN 62 HA ASN 62 7.724 12.083 0.674 462 1HB ASN 62 1HB ASN 62 8.996 9.861 -0.928 463 2HB ASN 62 2HB ASN 62 8.336 11.213 -1.828 464 1HD2 ASN 62 1HD2 ASN 62 9.893 12.521 -2.391 465 2HD2 ASN 62 2HD2 ASN 62 11.193 13.097 -1.402 466 H GLU 63 H GLU 63 6.114 12.868 -0.900 467 HA GLU 63 HA GLU 63 3.821 11.202 -0.990 468 1HB GLU 63 1HB GLU 63 4.451 14.022 -1.318 469 2HB GLU 63 2HB GLU 63 3.428 13.494 -2.639 470 1HG GLU 63 1HG GLU 63 1.851 12.463 -0.943 471 2HG GLU 63 2HG GLU 63 2.846 13.127 0.338 472 H GLU 64 H GLU 64 6.534 11.926 -3.091 473 HA GLU 64 HA GLU 64 5.105 11.033 -5.423 474 1HB GLU 64 1HB GLU 64 8.072 11.665 -5.259 475 2HB GLU 64 2HB GLU 64 7.036 11.716 -6.672 476 1HG GLU 64 1HG GLU 64 5.705 13.495 -5.080 477 2HG GLU 64 2HG GLU 64 7.327 13.711 -4.454 478 H ASP 65 H ASP 65 7.100 9.768 -2.861 479 HA ASP 65 HA ASP 65 8.285 7.678 -4.274 480 1HB ASP 65 1HB ASP 65 7.763 8.373 -1.402 481 2HB ASP 65 2HB ASP 65 8.097 6.685 -1.734 482 H VAL 66 H VAL 66 5.040 8.337 -3.213 483 HA VAL 66 HA VAL 66 4.262 5.589 -2.888 484 HB VAL 66 HB VAL 66 2.867 8.254 -2.859 485 1HG1 VAL 66 1HG1 VAL 66 0.793 7.379 -3.012 486 2HG1 VAL 66 2HG1 VAL 66 1.609 6.043 -3.859 487 3HG1 VAL 66 3HG1 VAL 66 1.239 5.902 -2.124 488 1HG2 VAL 66 1HG2 VAL 66 3.011 8.103 -0.625 489 2HG2 VAL 66 2HG2 VAL 66 2.499 6.399 -0.619 490 3HG2 VAL 66 3HG2 VAL 66 4.205 6.814 -0.911 491 H SER 67 H SER 67 4.531 4.398 -4.756 492 HA SER 67 HA SER 67 3.136 5.481 -7.078 493 1HB SER 67 1HB SER 67 5.817 4.209 -6.800 494 2HB SER 67 2HB SER 67 4.870 3.640 -8.159 495 HG SER 67 HG SER 67 5.488 5.419 -9.164 496 HA PRO 68 HA PRO 68 0.787 1.823 -6.516 497 1HB PRO 68 1HB PRO 68 -0.986 2.190 -8.562 498 2HB PRO 68 2HB PRO 68 -1.184 2.918 -6.981 499 1HG PRO 68 1HG PRO 68 -0.324 4.185 -9.510 500 2HG PRO 68 2HG PRO 68 -0.930 4.945 -8.052 501 1HD PRO 68 1HD PRO 68 1.803 4.825 -8.916 502 2HD PRO 68 2HD PRO 68 1.210 5.483 -7.404 503 H SER 69 H SER 69 3.127 2.309 -8.623 504 HA SER 69 HA SER 69 2.874 -0.401 -9.536 505 1HB SER 69 1HB SER 69 2.489 0.011 -11.731 506 2HB SER 69 2HB SER 69 2.013 1.623 -11.237 507 HG SER 69 HG SER 69 3.659 1.601 -12.934 508 H LEU 70 H LEU 70 4.929 -1.371 -9.877 509 HA LEU 70 HA LEU 70 7.117 0.057 -8.745 510 1HB LEU 70 1HB LEU 70 8.343 -2.072 -9.331 511 2HB LEU 70 2HB LEU 70 7.018 -2.191 -8.190 512 HG LEU 70 HG LEU 70 5.637 -3.325 -9.686 513 1HD1 LEU 70 1HD1 LEU 70 7.434 -2.612 -12.015 514 2HD1 LEU 70 2HD1 LEU 70 5.833 -3.390 -12.062 515 3HD1 LEU 70 3HD1 LEU 70 5.982 -1.689 -11.558 516 1HD2 LEU 70 1HD2 LEU 70 8.473 -4.173 -9.711 517 2HD2 LEU 70 2HD2 LEU 70 7.008 -5.046 -9.199 518 3HD2 LEU 70 3HD2 LEU 70 7.419 -4.934 -10.927 519 H GLU 71 H GLU 71 6.448 1.737 -10.684 520 HA GLU 71 HA GLU 71 8.044 1.030 -12.998 521 1HB GLU 71 1HB GLU 71 7.000 3.099 -14.002 522 2HB GLU 71 2HB GLU 71 5.844 1.861 -13.551 523 1HG GLU 71 1HG GLU 71 5.314 3.052 -11.456 524 2HG GLU 71 2HG GLU 71 6.567 4.236 -11.771 525 H GLY 72 H GLY 72 9.978 1.207 -11.419 526 1HA GLY 72 1HA GLY 72 11.757 3.018 -11.931 527 2HA GLY 72 2HA GLY 72 10.734 4.000 -10.902 528 H LEU 73 H LEU 73 10.133 1.051 -9.631 529 HA LEU 73 HA LEU 73 11.637 1.468 -7.338 530 1HB LEU 73 1HB LEU 73 10.017 -0.764 -8.469 531 2HB LEU 73 2HB LEU 73 11.056 -1.110 -7.101 532 HG LEU 73 HG LEU 73 8.613 -0.498 -6.640 533 1HD1 LEU 73 1HD1 LEU 73 10.442 -0.618 -4.946 534 2HD1 LEU 73 2HD1 LEU 73 10.707 1.127 -5.176 535 3HD1 LEU 73 3HD1 LEU 73 9.149 0.538 -4.547 536 1HD2 LEU 73 1HD2 LEU 73 9.425 2.370 -6.710 537 2HD2 LEU 73 2HD2 LEU 73 8.960 1.595 -8.244 538 3HD2 LEU 73 3HD2 LEU 73 7.819 1.622 -6.878 539 H THR 74 H THR 74 13.819 1.526 -7.228 540 HA THR 74 HA THR 74 15.394 -0.026 -9.072 541 HB THR 74 HB THR 74 17.125 1.389 -8.345 542 HG1 THR 74 1HG THR 74 15.648 0.994 -5.882 543 1HG2 THR 74 1HG2 THR 74 16.283 3.565 -8.180 544 2HG2 THR 74 2HG2 THR 74 14.813 2.741 -8.751 545 3HG2 THR 74 3HG2 THR 74 15.019 3.093 -7.019 546 H GLU 75 H GLU 75 17.579 -0.837 -7.592 547 HA GLU 75 HA GLU 75 16.584 -3.270 -6.619 548 1HB GLU 75 1HB GLU 75 19.220 -2.016 -7.106 549 2HB GLU 75 2HB GLU 75 19.226 -3.130 -5.754 550 1HG GLU 75 1HG GLU 75 19.087 -4.935 -7.129 551 2HG GLU 75 2HG GLU 75 17.707 -4.265 -7.977 552 H LYS 76 H LYS 76 17.901 -0.287 -5.078 553 HA LYS 76 HA LYS 76 18.122 -1.179 -2.497 554 1HB LYS 76 1HB LYS 76 18.817 0.923 -2.320 555 2HB LYS 76 2HB LYS 76 18.137 1.310 -3.888 556 1HG LYS 76 1HG LYS 76 15.904 1.705 -2.814 557 2HG LYS 76 2HG LYS 76 16.598 1.337 -1.248 558 1HD LYS 76 1HD LYS 76 17.743 3.529 -3.026 559 2HD LYS 76 2HD LYS 76 16.420 3.841 -1.920 560 1HE LYS 76 1HE LYS 76 18.114 2.570 -0.204 561 2HE LYS 76 2HE LYS 76 19.297 3.225 -1.318 562 1HZ LYS 76 1HZ LYS 76 18.082 5.385 -1.021 563 2HZ LYS 76 2HZ LYS 76 17.312 4.700 0.247 564 3HZ LYS 76 3HZ LYS 76 18.937 4.861 0.268 565 H GLU 77 H GLU 77 15.206 0.199 -4.154 566 HA GLU 77 HA GLU 77 13.614 -0.293 -1.860 567 1HB GLU 77 1HB GLU 77 11.746 0.220 -3.681 568 2HB GLU 77 2HB GLU 77 12.772 1.500 -3.066 569 1HG GLU 77 1HG GLU 77 14.026 0.100 -5.333 570 2HG GLU 77 2HG GLU 77 12.460 0.758 -5.766 571 H ILE 78 H ILE 78 14.088 -1.826 -5.098 572 HA ILE 78 HA ILE 78 12.085 -3.683 -5.016 573 HB ILE 78 HB ILE 78 14.806 -3.583 -6.242 574 1HG1 ILE 78 1HG1 ILE 78 12.312 -2.628 -6.964 575 2HG1 ILE 78 2HG1 ILE 78 13.706 -2.797 -8.012 576 1HG2 ILE 78 1HG2 ILE 78 12.950 -5.968 -6.469 577 2HG2 ILE 78 2HG2 ILE 78 14.477 -5.715 -7.347 578 3HG2 ILE 78 3HG2 ILE 78 14.493 -5.939 -5.582 579 1HD1 ILE 78 1HD1 ILE 78 11.753 -3.911 -9.019 580 2HD1 ILE 78 2HD1 ILE 78 12.984 -5.123 -8.591 581 3HD1 ILE 78 3HD1 ILE 78 11.549 -4.911 -7.560 582 H ASN 79 H ASN 79 15.105 -3.536 -3.161 583 HA ASN 79 HA ASN 79 14.856 -6.246 -2.318 584 1HB ASN 79 1HB ASN 79 16.724 -3.936 -1.782 585 2HB ASN 79 2HB ASN 79 16.661 -5.199 -0.569 586 1HD2 ASN 79 1HD2 ASN 79 18.341 -4.185 -3.104 587 2HD2 ASN 79 2HD2 ASN 79 18.938 -5.665 -3.776 588 H THR 80 H THR 80 14.375 -2.905 -1.000 589 HA THR 80 HA THR 80 13.515 -3.855 1.567 590 HB THR 80 HB THR 80 13.544 -1.138 0.158 591 HG1 THR 80 1HG THR 80 14.981 -2.291 2.436 592 1HG2 THR 80 1HG2 THR 80 13.428 -0.375 2.667 593 2HG2 THR 80 2HG2 THR 80 11.900 -0.818 1.869 594 3HG2 THR 80 3HG2 THR 80 12.698 -1.971 2.965 595 H LEU 81 H LEU 81 11.904 -2.509 -1.373 596 HA LEU 81 HA LEU 81 9.339 -2.507 -0.304 597 1HB LEU 81 1HB LEU 81 9.654 -1.277 -2.235 598 2HB LEU 81 2HB LEU 81 10.502 -2.570 -3.059 599 HG LEU 81 HG LEU 81 8.530 -3.700 -3.616 600 1HD1 LEU 81 1HD1 LEU 81 7.553 -2.635 -1.129 601 2HD1 LEU 81 2HD1 LEU 81 6.373 -2.326 -2.425 602 3HD1 LEU 81 3HD1 LEU 81 6.931 -3.986 -2.107 603 1HD2 LEU 81 1HD2 LEU 81 8.791 -1.734 -4.975 604 2HD2 LEU 81 2HD2 LEU 81 7.058 -1.981 -4.649 605 3HD2 LEU 81 3HD2 LEU 81 7.961 -0.728 -3.763 606 H ASN 82 H ASN 82 11.014 -5.019 -2.326 607 HA ASN 82 HA ASN 82 9.068 -6.829 -2.488 608 1HB ASN 82 1HB ASN 82 12.064 -7.056 -2.134 609 2HB ASN 82 2HB ASN 82 11.129 -8.536 -2.077 610 1HD2 ASN 82 1HD2 ASN 82 10.221 -5.680 -3.906 611 2HD2 ASN 82 2HD2 ASN 82 10.433 -6.333 -5.496 612 H ASP 83 H ASP 83 11.477 -6.477 0.225 613 HA ASP 83 HA ASP 83 10.457 -8.534 1.761 614 1HB ASP 83 1HB ASP 83 12.495 -6.552 1.949 615 2HB ASP 83 2HB ASP 83 11.510 -6.338 3.382 616 H TRP 84 H TRP 84 9.716 -5.018 1.497 617 HA TRP 84 HA TRP 84 8.136 -4.753 3.770 618 1HB TRP 84 1HB TRP 84 8.664 -3.256 1.307 619 2HB TRP 84 2HB TRP 84 7.047 -3.012 1.937 620 HD1 TRP 84 HD TRP 84 9.966 -1.122 2.102 621 HE1 TRP 84 1HE TRP 84 10.441 0.166 4.355 622 HE3 TRP 84 3HE TRP 84 6.802 -3.889 4.963 623 HZ2 TRP 84 2HZ TRP 84 9.462 -0.111 7.021 624 HZ3 TRP 84 3HZ TRP 84 6.620 -3.315 7.382 625 HH2 TRP 84 HH TRP 84 7.886 -1.498 8.418 626 H GLU 85 H GLU 85 7.388 -5.752 0.373 627 HA GLU 85 HA GLU 85 4.652 -5.931 0.735 628 1HB GLU 85 1HB GLU 85 5.277 -5.962 -1.504 629 2HB GLU 85 2HB GLU 85 6.647 -7.019 -1.227 630 1HG GLU 85 1HG GLU 85 4.897 -8.864 -0.666 631 2HG GLU 85 2HG GLU 85 3.703 -7.785 -1.360 632 H THR 86 H THR 86 7.268 -8.423 1.025 633 HA THR 86 HA THR 86 5.568 -10.562 1.641 634 HB THR 86 HB THR 86 8.508 -9.891 2.045 635 HG1 THR 86 1HG THR 86 6.859 -11.850 0.606 636 1HG2 THR 86 1HG2 THR 86 6.959 -11.990 3.421 637 2HG2 THR 86 2HG2 THR 86 8.183 -12.679 2.327 638 3HG2 THR 86 3HG2 THR 86 8.673 -11.553 3.616 639 H LYS 87 H LYS 87 6.865 -7.906 3.615 640 HA LYS 87 HA LYS 87 6.159 -9.181 6.074 641 1HB LYS 87 1HB LYS 87 6.952 -6.327 5.420 642 2HB LYS 87 2HB LYS 87 6.724 -6.953 7.040 643 1HG LYS 87 1HG LYS 87 8.615 -8.354 6.921 644 2HG LYS 87 2HG LYS 87 8.570 -8.449 5.172 645 1HD LYS 87 1HD LYS 87 9.728 -6.465 4.887 646 2HD LYS 87 2HD LYS 87 9.002 -5.709 6.292 647 1HE LYS 87 1HE LYS 87 10.971 -8.000 6.626 648 2HE LYS 87 2HE LYS 87 11.548 -6.364 6.378 649 1HZ LYS 87 1HZ LYS 87 9.646 -7.114 8.488 650 2HZ LYS 87 2HZ LYS 87 11.257 -6.977 8.716 651 3HZ LYS 87 3HZ LYS 87 10.377 -5.665 8.303 652 H PHE 88 H PHE 88 4.694 -6.805 3.814 653 HA PHE 88 HA PHE 88 2.489 -6.312 5.564 654 1HB PHE 88 1HB PHE 88 3.650 -5.430 2.996 655 2HB PHE 88 2HB PHE 88 1.919 -5.638 2.827 656 HD1 PHE 88 1HD PHE 88 4.022 -4.355 5.638 657 HD2 PHE 88 2HD PHE 88 0.908 -3.569 2.865 658 HE1 PHE 88 1HE PHE 88 3.648 -2.109 6.695 659 HE2 PHE 88 2HE PHE 88 0.534 -1.323 3.921 660 HZ PHE 88 HZ PHE 88 1.909 -0.620 5.823 661 H GLU 89 H GLU 89 3.153 -8.333 2.656 662 HA GLU 89 HA GLU 89 0.464 -9.119 2.386 663 1HB GLU 89 1HB GLU 89 1.440 -9.546 0.377 664 2HB GLU 89 2HB GLU 89 3.044 -9.659 1.075 665 1HG GLU 89 1HG GLU 89 1.061 -11.901 1.548 666 2HG GLU 89 2HG GLU 89 1.896 -11.806 0.010 667 H ALA 90 H ALA 90 3.248 -10.235 4.275 668 HA ALA 90 HA ALA 90 1.953 -12.747 4.914 669 1HB ALA 90 1HB ALA 90 4.019 -13.213 6.115 670 2HB ALA 90 2HB ALA 90 4.419 -12.549 4.512 671 3HB ALA 90 3HB ALA 90 4.535 -11.517 5.957 672 H LYS 91 H LYS 91 1.427 -9.596 5.761 673 HA LYS 91 HA LYS 91 0.646 -10.391 8.476 674 1HB LYS 91 1HB LYS 91 2.037 -7.873 7.563 675 2HB LYS 91 2HB LYS 91 1.068 -7.900 9.022 676 1HG LYS 91 1HG LYS 91 2.720 -10.239 9.108 677 2HG LYS 91 2HG LYS 91 3.758 -8.920 8.607 678 1HD LYS 91 1HD LYS 91 3.799 -8.099 10.719 679 2HD LYS 91 2HD LYS 91 2.053 -7.945 10.724 680 1HE LYS 91 1HE LYS 91 2.497 -10.720 11.021 681 2HE LYS 91 2HE LYS 91 3.741 -9.980 12.010 682 1HZ LYS 91 1HZ LYS 91 1.048 -10.205 12.573 683 2HZ LYS 91 2HZ LYS 91 2.205 -9.506 13.489 684 3HZ LYS 91 3HZ LYS 91 1.359 -8.610 12.418 685 H TYR 92 H TYR 92 0.176 -7.609 6.181 686 HA TYR 92 HA TYR 92 -2.570 -7.408 6.945 687 1HB TYR 92 1HB TYR 92 -0.679 -6.224 4.832 688 2HB TYR 92 2HB TYR 92 -2.368 -5.759 4.873 689 HD1 TYR 92 1HD TYR 92 -2.917 -5.509 7.756 690 HD2 TYR 92 2HD TYR 92 0.539 -4.356 5.514 691 HE1 TYR 92 1HE TYR 92 -2.379 -3.727 9.488 692 HE2 TYR 92 2HE TYR 92 1.066 -2.578 7.253 693 HH TYR 92 HH TYR 92 -0.613 -1.235 9.017 694 HA PRO 93 HA PRO 93 -4.092 -10.168 3.949 695 1HB PRO 93 1HB PRO 93 -6.763 -9.717 4.309 696 2HB PRO 93 2HB PRO 93 -5.830 -10.803 5.319 697 1HG PRO 93 1HG PRO 93 -6.829 -8.092 5.943 698 2HG PRO 93 2HG PRO 93 -6.281 -9.340 7.044 699 1HD PRO 93 1HD PRO 93 -4.827 -7.002 6.240 700 2HD PRO 93 2HD PRO 93 -4.237 -8.309 7.249 701 H VAL 94 H VAL 94 -4.447 -10.222 1.787 702 HA VAL 94 HA VAL 94 -4.845 -7.569 0.655 703 HB VAL 94 HB VAL 94 -3.014 -8.523 -0.330 704 1HG1 VAL 94 1HG1 VAL 94 -2.989 -10.973 -1.081 705 2HG1 VAL 94 2HG1 VAL 94 -2.926 -10.660 0.670 706 3HG1 VAL 94 3HG1 VAL 94 -4.453 -11.173 -0.088 707 1HG2 VAL 94 1HG2 VAL 94 -3.819 -9.556 -2.582 708 2HG2 VAL 94 2HG2 VAL 94 -5.449 -9.168 -1.983 709 3HG2 VAL 94 3HG2 VAL 94 -4.247 -7.872 -2.196 710 H VAL 95 H VAL 95 -6.940 -6.974 0.400 711 HA VAL 95 HA VAL 95 -8.930 -9.025 -0.040 712 HB VAL 95 HB VAL 95 -10.513 -7.255 0.279 713 1HG1 VAL 95 1HG1 VAL 95 -9.614 -8.148 2.321 714 2HG1 VAL 95 2HG1 VAL 95 -8.180 -7.099 2.213 715 3HG1 VAL 95 3HG1 VAL 95 -9.783 -6.387 2.521 716 1HG2 VAL 95 1HG2 VAL 95 -8.136 -5.375 0.113 717 2HG2 VAL 95 2HG2 VAL 95 -9.522 -5.470 -1.001 718 3HG2 VAL 95 3HG2 VAL 95 -9.759 -4.899 0.668 719 H GLY 96 H GLY 96 -6.665 -7.670 -1.979 720 1HA GLY 96 1HA GLY 96 -7.714 -8.437 -4.377 721 2HA GLY 96 2HA GLY 96 -8.276 -6.788 -4.187 722 H ARG 97 H ARG 97 -6.634 -7.190 -6.301 723 HA ARG 97 HA ARG 97 -4.088 -6.168 -5.323 724 1HB ARG 97 1HB ARG 97 -2.917 -7.488 -6.836 725 2HB ARG 97 2HB ARG 97 -4.313 -8.526 -6.620 726 1HG ARG 97 1HG ARG 97 -4.116 -6.414 -8.816 727 2HG ARG 97 2HG ARG 97 -3.659 -8.090 -9.048 728 1HD ARG 97 1HD ARG 97 -6.238 -8.189 -7.854 729 2HD ARG 97 2HD ARG 97 -6.333 -6.896 -9.033 730 HE ARG 97 HE ARG 97 -6.170 -8.482 -10.742 731 1HH1 ARG 97 2HH2 ARG 97 -5.013 -9.915 -7.744 732 2HH1 ARG 97 1HH2 ARG 97 -4.841 -11.501 -8.419 733 1HH2 ARG 97 2HH1 ARG 97 -5.944 -10.574 -11.633 734 2HH2 ARG 97 1HH1 ARG 97 -5.374 -11.878 -10.646 735 H VAL 98 H VAL 98 -3.469 -4.162 -6.141 736 HA VAL 98 HA VAL 98 -5.260 -2.537 -7.423 737 HB VAL 98 HB VAL 98 -2.246 -2.488 -7.267 738 1HG1 VAL 98 1HG1 VAL 98 -4.140 -0.365 -8.320 739 2HG1 VAL 98 2HG1 VAL 98 -2.456 -0.048 -7.837 740 3HG1 VAL 98 3HG1 VAL 98 -2.802 -1.157 -9.186 741 1HG2 VAL 98 1HG2 VAL 98 -3.108 -2.252 -5.102 742 2HG2 VAL 98 2HG2 VAL 98 -2.855 -0.574 -5.638 743 3HG2 VAL 98 3HG2 VAL 98 -4.491 -1.276 -5.653 744 H VAL 99 H VAL 99 -5.443 -1.731 -9.603 745 HA VAL 99 HA VAL 99 -4.136 -3.396 -11.621 746 HB VAL 99 HB VAL 99 -6.542 -3.124 -12.750 747 1HG1 VAL 99 1HG1 VAL 99 -5.071 -5.213 -11.435 748 2HG1 VAL 99 2HG1 VAL 99 -6.809 -5.440 -11.127 749 3HG1 VAL 99 3HG1 VAL 99 -6.208 -5.328 -12.799 750 1HG2 VAL 99 1HG2 VAL 99 -8.306 -3.610 -11.069 751 2HG2 VAL 99 2HG2 VAL 99 -7.123 -3.304 -9.775 752 3HG2 VAL 99 3HG2 VAL 99 -7.593 -1.990 -10.879 753 H SER 100 H SER 100 -6.273 -0.538 -10.958 754 HA SER 100 HA SER 100 -6.488 1.350 -12.064 755 1HB SER 100 1HB SER 100 -4.248 1.391 -10.607 756 2HB SER 100 2HB SER 100 -3.480 1.573 -12.172 757 HG SER 100 HG SER 100 -5.034 3.405 -12.533 Start of MODEL 16 1 1H GLY -1 H GLY -1 -9.763 -14.632 -11.674 2 1HA GLY -1 1HA GLY -1 -8.304 -13.895 -10.040 3 2HA GLY -1 2HA GLY -1 -8.746 -12.397 -10.835 4 HA PRO 0 HA PRO 0 -9.891 -12.090 -6.412 5 1HB PRO 0 1HB PRO 0 -8.177 -10.096 -5.667 6 2HB PRO 0 2HB PRO 0 -7.832 -11.797 -5.424 7 1HG PRO 0 1HG PRO 0 -6.707 -9.947 -7.436 8 2HG PRO 0 2HG PRO 0 -6.088 -11.497 -6.902 9 1HD PRO 0 1HD PRO 0 -7.470 -10.955 -9.356 10 2HD PRO 0 2HD PRO 0 -6.953 -12.523 -8.768 11 H MET 1 H MET 1 -9.976 -9.575 -5.203 12 HA MET 1 HA MET 1 -12.048 -8.485 -6.880 13 1HB MET 1 1HB MET 1 -11.151 -8.221 -3.994 14 2HB MET 1 2HB MET 1 -12.115 -6.922 -4.668 15 1HG MET 1 1HG MET 1 -13.270 -9.521 -5.373 16 2HG MET 1 2HG MET 1 -13.060 -9.396 -3.637 17 1HE MET 1 1HE MET 1 -14.257 -6.486 -2.460 18 2HE MET 1 2HE MET 1 -15.679 -7.552 -2.359 19 3HE MET 1 3HE MET 1 -14.042 -8.232 -2.190 20 H GLU 2 H GLU 2 -9.319 -8.181 -7.844 21 HA GLU 2 HA GLU 2 -7.759 -6.263 -7.451 22 1HB GLU 2 1HB GLU 2 -9.124 -5.839 -10.091 23 2HB GLU 2 2HB GLU 2 -7.417 -6.016 -9.736 24 1HG GLU 2 1HG GLU 2 -7.876 -8.472 -9.180 25 2HG GLU 2 2HG GLU 2 -9.509 -8.239 -9.770 26 H PHE 3 H PHE 3 -7.723 -4.192 -6.688 27 HA PHE 3 HA PHE 3 -10.194 -2.647 -7.002 28 1HB PHE 3 1HB PHE 3 -7.871 -2.735 -5.002 29 2HB PHE 3 2HB PHE 3 -8.963 -1.365 -5.033 30 HD1 PHE 3 1HD PHE 3 -10.876 -1.415 -3.726 31 HD2 PHE 3 2HD PHE 3 -9.015 -5.084 -4.767 32 HE1 PHE 3 1HE PHE 3 -12.466 -2.648 -2.225 33 HE2 PHE 3 2HE PHE 3 -10.604 -6.317 -3.266 34 HZ PHE 3 HZ PHE 3 -12.311 -5.084 -2.013 35 H THR 4 H THR 4 -10.170 -0.733 -8.121 36 HA THR 4 HA THR 4 -7.700 -0.018 -9.438 37 HB THR 4 HB THR 4 -9.197 1.452 -10.731 38 HG1 THR 4 1HG THR 4 -11.319 0.544 -8.966 39 1HG2 THR 4 1HG2 THR 4 -9.846 -0.504 -11.753 40 2HG2 THR 4 2HG2 THR 4 -9.944 -1.372 -10.202 41 3HG2 THR 4 3HG2 THR 4 -11.312 -0.373 -10.751 42 H ALA 5 H ALA 5 -6.715 2.078 -9.392 43 HA ALA 5 HA ALA 5 -6.214 3.010 -6.860 44 1HB ALA 5 1HB ALA 5 -5.907 4.144 -9.643 45 2HB ALA 5 2HB ALA 5 -5.464 5.119 -8.221 46 3HB ALA 5 3HB ALA 5 -4.655 3.562 -8.519 47 H GLU 6 H GLU 6 -8.886 3.723 -9.074 48 HA GLU 6 HA GLU 6 -9.644 6.109 -7.792 49 1HB GLU 6 1HB GLU 6 -10.480 4.541 -10.056 50 2HB GLU 6 2HB GLU 6 -11.897 4.841 -9.069 51 1HG GLU 6 1HG GLU 6 -11.251 7.306 -9.014 52 2HG GLU 6 2HG GLU 6 -9.964 6.946 -10.147 53 H GLN 7 H GLN 7 -10.723 2.660 -7.579 54 HA GLN 7 HA GLN 7 -12.670 3.265 -5.625 55 1HB GLN 7 1HB GLN 7 -11.647 0.861 -7.032 56 2HB GLN 7 2HB GLN 7 -12.211 0.543 -5.404 57 1HG GLN 7 1HG GLN 7 -14.221 0.334 -6.556 58 2HG GLN 7 2HG GLN 7 -14.292 2.038 -6.156 59 1HE2 GLN 7 1HE2 GLN 7 -15.537 0.612 -8.339 60 2HE2 GLN 7 2HE2 GLN 7 -14.994 1.326 -9.821 61 H LEU 8 H LEU 8 -9.293 2.017 -5.619 62 HA LEU 8 HA LEU 8 -9.174 1.314 -2.934 63 1HB LEU 8 1HB LEU 8 -7.422 0.492 -4.099 64 2HB LEU 8 2HB LEU 8 -7.266 1.913 -5.113 65 HG LEU 8 HG LEU 8 -5.310 1.557 -3.666 66 1HD1 LEU 8 1HD1 LEU 8 -6.487 4.049 -2.545 67 2HD1 LEU 8 2HD1 LEU 8 -4.928 3.772 -3.359 68 3HD1 LEU 8 3HD1 LEU 8 -6.423 3.900 -4.318 69 1HD2 LEU 8 1HD2 LEU 8 -6.997 2.270 -1.272 70 2HD2 LEU 8 2HD2 LEU 8 -6.742 0.580 -1.769 71 3HD2 LEU 8 3HD2 LEU 8 -5.350 1.598 -1.331 72 H SER 9 H SER 9 -8.632 4.458 -4.612 73 HA SER 9 HA SER 9 -7.674 5.823 -2.431 74 1HB SER 9 1HB SER 9 -7.620 6.699 -4.738 75 2HB SER 9 2HB SER 9 -9.368 6.820 -4.764 76 HG SER 9 HG SER 9 -7.490 8.365 -3.218 77 H GLN 10 H GLN 10 -10.753 4.396 -2.923 78 HA GLN 10 HA GLN 10 -12.255 6.337 -1.499 79 1HB GLN 10 1HB GLN 10 -13.061 3.446 -1.973 80 2HB GLN 10 2HB GLN 10 -14.109 4.837 -1.775 81 1HG GLN 10 1HG GLN 10 -12.126 4.657 -4.079 82 2HG GLN 10 2HG GLN 10 -13.725 3.949 -4.192 83 1HE2 GLN 10 1HE2 GLN 10 -15.501 5.497 -3.294 84 2HE2 GLN 10 2HE2 GLN 10 -15.478 7.110 -3.925 85 H TYR 11 H TYR 11 -9.988 3.919 -0.631 86 HA TYR 11 HA TYR 11 -11.010 3.963 2.125 87 1HB TYR 11 1HB TYR 11 -9.503 1.707 0.673 88 2HB TYR 11 2HB TYR 11 -10.271 1.590 2.244 89 HD1 TYR 11 1HD TYR 11 -12.523 0.898 2.443 90 HD2 TYR 11 2HD TYR 11 -11.001 2.052 -1.385 91 HE1 TYR 11 1HE TYR 11 -14.645 0.043 1.334 92 HE2 TYR 11 2HE TYR 11 -13.128 1.193 -2.482 93 HH TYR 11 HH TYR 11 -15.215 -0.846 -1.011 94 H ASN 12 H ASN 12 -9.463 5.939 1.997 95 HA ASN 12 HA ASN 12 -6.757 4.940 2.431 96 1HB ASN 12 1HB ASN 12 -5.876 6.848 1.386 97 2HB ASN 12 2HB ASN 12 -7.359 6.665 0.471 98 1HD2 ASN 12 1HD2 ASN 12 -9.325 7.719 1.526 99 2HD2 ASN 12 2HD2 ASN 12 -9.122 9.329 2.130 100 H GLY 13 H GLY 13 -9.226 5.319 4.254 101 1HA GLY 13 1HA GLY 13 -9.397 5.813 6.469 102 2HA GLY 13 2HA GLY 13 -7.846 6.626 6.421 103 H THR 14 H THR 14 -11.348 6.958 5.781 104 HA THR 14 HA THR 14 -11.223 9.740 6.445 105 HB THR 14 HB THR 14 -12.453 10.130 4.059 106 HG1 THR 14 1HG THR 14 -11.524 8.650 2.552 107 1HG2 THR 14 1HG2 THR 14 -9.433 9.830 3.969 108 2HG2 THR 14 2HG2 THR 14 -10.449 11.098 3.242 109 3HG2 THR 14 3HG2 THR 14 -10.157 11.089 4.998 110 H ASP 15 H ASP 15 -13.119 7.013 5.043 111 HA ASP 15 HA ASP 15 -15.522 8.146 6.069 112 1HB ASP 15 1HB ASP 15 -14.721 5.718 4.496 113 2HB ASP 15 2HB ASP 15 -16.207 5.584 5.415 114 H GLU 16 H GLU 16 -16.954 6.062 7.182 115 HA GLU 16 HA GLU 16 -15.421 5.541 9.576 116 1HB GLU 16 1HB GLU 16 -18.351 5.670 8.891 117 2HB GLU 16 2HB GLU 16 -17.872 4.686 10.260 118 1HG GLU 16 1HG GLU 16 -16.847 7.533 9.977 119 2HG GLU 16 2HG GLU 16 -18.434 7.224 10.654 120 H SER 17 H SER 17 -18.067 3.615 8.020 121 HA SER 17 HA SER 17 -17.048 1.208 8.842 122 1HB SER 17 1HB SER 17 -18.801 1.812 6.418 123 2HB SER 17 2HB SER 17 -18.584 0.221 7.119 124 HG SER 17 HG SER 17 -19.480 1.064 9.135 125 H LYS 18 H LYS 18 -16.721 2.922 5.660 126 HA LYS 18 HA LYS 18 -15.419 1.096 4.185 127 1HB LYS 18 1HB LYS 18 -15.641 3.979 4.256 128 2HB LYS 18 2HB LYS 18 -14.034 3.515 3.736 129 1HG LYS 18 1HG LYS 18 -15.651 3.687 1.826 130 2HG LYS 18 2HG LYS 18 -14.939 2.091 1.962 131 1HD LYS 18 1HD LYS 18 -17.093 1.632 3.502 132 2HD LYS 18 2HD LYS 18 -17.756 2.974 2.591 133 1HE LYS 18 1HE LYS 18 -16.353 0.943 0.923 134 2HE LYS 18 2HE LYS 18 -17.774 0.336 1.749 135 1HZ LYS 18 1HZ LYS 18 -18.000 2.899 0.421 136 2HZ LYS 18 2HZ LYS 18 -17.940 1.567 -0.522 137 3HZ LYS 18 3HZ LYS 18 -19.116 1.720 0.601 138 HA PRO 19 HA PRO 19 -11.877 0.201 6.562 139 1HB PRO 19 1HB PRO 19 -10.893 -1.801 4.983 140 2HB PRO 19 2HB PRO 19 -12.111 -2.063 6.215 141 1HG PRO 19 1HG PRO 19 -12.436 -1.963 3.279 142 2HG PRO 19 2HG PRO 19 -13.522 -2.631 4.481 143 1HD PRO 19 1HD PRO 19 -13.814 -0.132 3.105 144 2HD PRO 19 2HD PRO 19 -14.835 -0.746 4.389 145 H ILE 20 H ILE 20 -9.401 -0.520 5.768 146 HA ILE 20 HA ILE 20 -8.709 1.684 3.954 147 HB ILE 20 HB ILE 20 -7.301 0.833 6.486 148 1HG1 ILE 20 1HG1 ILE 20 -7.835 3.564 6.565 149 2HG1 ILE 20 2HG1 ILE 20 -9.292 2.882 5.870 150 1HG2 ILE 20 1HG2 ILE 20 -6.453 2.604 4.212 151 2HG2 ILE 20 2HG2 ILE 20 -5.898 2.936 5.870 152 3HG2 ILE 20 3HG2 ILE 20 -5.527 1.373 5.104 153 1HD1 ILE 20 1HD1 ILE 20 -7.961 1.852 8.418 154 2HD1 ILE 20 2HD1 ILE 20 -9.354 2.959 8.377 155 3HD1 ILE 20 3HD1 ILE 20 -9.514 1.304 7.742 156 H TYR 21 H TYR 21 -7.463 1.126 2.228 157 HA TYR 21 HA TYR 21 -6.174 -1.516 2.350 158 1HB TYR 21 1HB TYR 21 -7.689 -0.070 0.087 159 2HB TYR 21 2HB TYR 21 -6.852 -1.594 -0.130 160 HD1 TYR 21 1HD TYR 21 -9.811 -1.031 -0.666 161 HD2 TYR 21 2HD TYR 21 -7.770 -2.604 2.749 162 HE1 TYR 21 1HE TYR 21 -11.912 -2.286 0.020 163 HE2 TYR 21 2HE TYR 21 -9.878 -3.854 3.424 164 HH TYR 21 HH TYR 21 -11.975 -4.193 3.015 165 H VAL 22 H VAL 22 -4.102 -1.652 1.497 166 HA VAL 22 HA VAL 22 -3.050 0.865 0.401 167 HB VAL 22 HB VAL 22 -1.491 -1.188 1.966 168 1HG1 VAL 22 1HG1 VAL 22 -0.700 1.662 1.946 169 2HG1 VAL 22 2HG1 VAL 22 0.287 0.191 1.768 170 3HG1 VAL 22 3HG1 VAL 22 -0.606 0.839 0.371 171 1HG2 VAL 22 1HG2 VAL 22 -2.563 1.393 3.127 172 2HG2 VAL 22 2HG2 VAL 22 -3.436 -0.151 3.270 173 3HG2 VAL 22 3HG2 VAL 22 -1.810 0.019 3.972 174 H ALA 23 H ALA 23 -1.551 0.698 -1.350 175 HA ALA 23 HA ALA 23 -1.725 -1.901 -2.706 176 1HB ALA 23 1HB ALA 23 -1.430 -0.610 -4.774 177 2HB ALA 23 2HB ALA 23 -2.805 0.027 -3.841 178 3HB ALA 23 3HB ALA 23 -1.248 0.889 -3.832 179 H ILE 24 H ILE 24 0.148 -2.957 -3.348 180 HA ILE 24 HA ILE 24 2.664 -1.544 -3.112 181 HB ILE 24 HB ILE 24 2.134 -4.047 -1.510 182 1HG1 ILE 24 1HG1 ILE 24 2.325 -1.157 -0.618 183 2HG1 ILE 24 2HG1 ILE 24 0.927 -2.208 -0.500 184 1HG2 ILE 24 1HG2 ILE 24 4.329 -4.072 -0.916 185 2HG2 ILE 24 2HG2 ILE 24 4.490 -3.358 -2.539 186 3HG2 ILE 24 3HG2 ILE 24 4.521 -2.312 -1.099 187 1HD1 ILE 24 1HD1 ILE 24 3.601 -2.735 0.877 188 2HD1 ILE 24 2HD1 ILE 24 2.170 -2.028 1.664 189 3HD1 ILE 24 3HD1 ILE 24 2.117 -3.701 1.058 190 H LYS 25 H LYS 25 3.518 -1.884 -5.091 191 HA LYS 25 HA LYS 25 4.275 -2.940 -6.876 192 1HB LYS 25 1HB LYS 25 3.782 -5.571 -5.461 193 2HB LYS 25 2HB LYS 25 4.900 -5.253 -6.772 194 1HG LYS 25 1HG LYS 25 6.488 -4.372 -5.375 195 2HG LYS 25 2HG LYS 25 5.311 -3.460 -4.451 196 1HD LYS 25 1HD LYS 25 5.896 -4.992 -2.820 197 2HD LYS 25 2HD LYS 25 4.615 -5.913 -3.582 198 1HE LYS 25 1HE LYS 25 7.557 -6.145 -4.374 199 2HE LYS 25 2HE LYS 25 6.781 -7.206 -3.215 200 1HZ LYS 25 1HZ LYS 25 5.089 -7.444 -5.167 201 2HZ LYS 25 2HZ LYS 25 6.383 -7.034 -6.075 202 3HZ LYS 25 3HZ LYS 25 6.446 -8.351 -5.110 203 H GLY 26 H GLY 26 1.241 -2.587 -6.052 204 1HA GLY 26 1HA GLY 26 -0.466 -2.517 -7.657 205 2HA GLY 26 2HA GLY 26 0.245 -3.884 -8.492 206 H ARG 27 H ARG 27 0.242 -4.179 -5.020 207 HA ARG 27 HA ARG 27 -2.068 -5.933 -5.268 208 1HB ARG 27 1HB ARG 27 0.339 -6.859 -4.688 209 2HB ARG 27 2HB ARG 27 0.047 -6.190 -3.096 210 1HG ARG 27 1HG ARG 27 -2.170 -7.503 -3.079 211 2HG ARG 27 2HG ARG 27 -1.612 -8.309 -4.531 212 1HD ARG 27 1HD ARG 27 0.487 -8.332 -2.489 213 2HD ARG 27 2HD ARG 27 -0.997 -9.001 -1.841 214 HE ARG 27 HE ARG 27 -0.476 -10.060 -4.485 215 1HH1 ARG 27 2HH2 ARG 27 0.517 -10.349 -1.122 216 2HH1 ARG 27 1HH2 ARG 27 1.045 -11.991 -1.285 217 1HH2 ARG 27 2HH1 ARG 27 0.220 -12.226 -4.702 218 2HH2 ARG 27 1HH1 ARG 27 0.875 -13.065 -3.336 219 H VAL 28 H VAL 28 -3.809 -5.569 -3.875 220 HA VAL 28 HA VAL 28 -3.587 -3.251 -2.150 221 HB VAL 28 HB VAL 28 -5.908 -4.977 -3.030 222 1HG1 VAL 28 1HG1 VAL 28 -5.792 -3.415 -0.729 223 2HG1 VAL 28 2HG1 VAL 28 -6.579 -2.357 -1.925 224 3HG1 VAL 28 3HG1 VAL 28 -7.265 -3.960 -1.566 225 1HG2 VAL 28 1HG2 VAL 28 -6.089 -3.644 -4.814 226 2HG2 VAL 28 2HG2 VAL 28 -5.978 -2.179 -3.810 227 3HG2 VAL 28 3HG2 VAL 28 -4.496 -2.974 -4.391 228 H PHE 29 H PHE 29 -3.335 -3.345 0.030 229 HA PHE 29 HA PHE 29 -3.770 -5.972 1.267 230 1HB PHE 29 1HB PHE 29 -1.664 -3.770 1.614 231 2HB PHE 29 2HB PHE 29 -1.917 -4.963 2.872 232 HD1 PHE 29 1HD PHE 29 -1.861 -7.480 2.005 233 HD2 PHE 29 2HD PHE 29 -0.041 -4.194 0.031 234 HE1 PHE 29 1HE PHE 29 -0.297 -9.053 0.829 235 HE2 PHE 29 2HE PHE 29 1.523 -5.767 -1.145 236 HZ PHE 29 HZ PHE 29 1.376 -8.177 -0.732 237 H ASP 30 H ASP 30 -4.528 -5.961 3.492 238 HA ASP 30 HA ASP 30 -6.105 -3.593 3.993 239 1HB ASP 30 1HB ASP 30 -7.514 -5.425 4.247 240 2HB ASP 30 2HB ASP 30 -6.218 -6.486 4.763 241 H VAL 31 H VAL 31 -5.519 -2.168 5.653 242 HA VAL 31 HA VAL 31 -3.667 -3.191 7.687 243 HB VAL 31 HB VAL 31 -2.399 -1.167 7.585 244 1HG1 VAL 31 1HG1 VAL 31 -2.291 -3.114 5.702 245 2HG1 VAL 31 2HG1 VAL 31 -2.532 -1.686 4.666 246 3HG1 VAL 31 3HG1 VAL 31 -1.149 -1.750 5.786 247 1HG2 VAL 31 1HG2 VAL 31 -3.020 0.352 5.457 248 2HG2 VAL 31 2HG2 VAL 31 -4.650 -0.229 5.873 249 3HG2 VAL 31 3HG2 VAL 31 -3.682 0.648 7.083 250 H THR 32 H THR 32 -6.735 -2.293 7.105 251 HA THR 32 HA THR 32 -7.328 -0.166 8.750 252 HB THR 32 HB THR 32 -9.219 -0.863 7.624 253 HG1 THR 32 1HG THR 32 -10.308 -1.378 9.480 254 1HG2 THR 32 1HG2 THR 32 -8.491 -2.740 6.374 255 2HG2 THR 32 2HG2 THR 32 -7.936 -3.608 7.826 256 3HG2 THR 32 3HG2 THR 32 -9.677 -3.479 7.476 257 H THR 33 H THR 33 -6.139 -3.344 9.613 258 HA THR 33 HA THR 33 -7.161 -3.566 12.186 259 HB THR 33 HB THR 33 -5.385 -5.200 12.447 260 HG1 THR 33 1HG THR 33 -3.450 -4.903 11.207 261 1HG2 THR 33 1HG2 THR 33 -6.907 -5.143 10.063 262 2HG2 THR 33 2HG2 THR 33 -5.232 -5.390 9.514 263 3HG2 THR 33 3HG2 THR 33 -5.965 -6.526 10.671 264 H GLY 34 H GLY 34 -5.269 -1.053 10.920 265 1HA GLY 34 1HA GLY 34 -4.803 -0.041 13.607 266 2HA GLY 34 2HA GLY 34 -3.369 -0.340 12.645 267 H LYS 35 H LYS 35 -6.671 0.874 11.731 268 HA LYS 35 HA LYS 35 -5.828 2.645 9.833 269 1HB LYS 35 1HB LYS 35 -8.004 3.325 9.747 270 2HB LYS 35 2HB LYS 35 -8.209 1.833 10.641 271 1HG LYS 35 1HG LYS 35 -7.747 3.491 12.739 272 2HG LYS 35 2HG LYS 35 -8.385 4.673 11.614 273 1HD LYS 35 1HD LYS 35 -10.511 3.746 11.614 274 2HD LYS 35 2HD LYS 35 -9.918 2.107 11.801 275 1HE LYS 35 1HE LYS 35 -9.540 2.406 14.174 276 2HE LYS 35 2HE LYS 35 -9.733 4.144 14.061 277 1HZ LYS 35 1HZ LYS 35 -11.829 3.734 14.576 278 2HZ LYS 35 2HZ LYS 35 -12.038 3.184 13.053 279 3HZ LYS 35 3HZ LYS 35 -11.724 2.135 14.264 280 H SER 36 H SER 36 -5.550 2.846 13.329 281 HA SER 36 HA SER 36 -5.443 5.569 13.631 282 1HB SER 36 1HB SER 36 -4.979 3.276 15.217 283 2HB SER 36 2HB SER 36 -3.482 4.183 15.312 284 HG SER 36 HG SER 36 -6.052 4.826 16.294 285 H PHE 37 H PHE 37 -3.320 3.432 11.922 286 HA PHE 37 HA PHE 37 -1.166 5.418 12.025 287 1HB PHE 37 1HB PHE 37 -1.253 2.490 11.079 288 2HB PHE 37 2HB PHE 37 0.201 3.461 11.191 289 HD1 PHE 37 1HD PHE 37 -1.936 1.196 12.894 290 HD2 PHE 37 2HD PHE 37 0.835 4.344 13.536 291 HE1 PHE 37 1HE PHE 37 -1.599 0.418 15.256 292 HE2 PHE 37 2HE PHE 37 1.172 3.566 15.899 293 HZ PHE 37 HZ PHE 37 -0.050 1.612 16.730 294 H TYR 38 H TYR 38 -3.214 3.381 9.862 295 HA TYR 38 HA TYR 38 -2.143 4.813 7.555 296 1HB TYR 38 1HB TYR 38 -3.316 2.204 8.265 297 2HB TYR 38 2HB TYR 38 -4.252 2.918 6.967 298 HD1 TYR 38 1HD TYR 38 -2.784 3.900 4.956 299 HD2 TYR 38 2HD TYR 38 -1.476 0.897 7.709 300 HE1 TYR 38 1HE TYR 38 -1.048 3.106 3.276 301 HE2 TYR 38 2HE TYR 38 0.255 0.113 6.019 302 HH TYR 38 HH TYR 38 1.474 1.024 4.140 303 H GLY 39 H GLY 39 -5.155 4.298 9.446 304 1HA GLY 39 1HA GLY 39 -7.012 5.439 7.759 305 2HA GLY 39 2HA GLY 39 -7.072 5.470 9.510 306 H SER 40 H SER 40 -7.098 7.459 10.460 307 HA SER 40 HA SER 40 -6.946 9.754 8.952 308 1HB SER 40 1HB SER 40 -7.773 9.127 11.485 309 2HB SER 40 2HB SER 40 -6.287 9.977 11.858 310 HG SER 40 HG SER 40 -7.143 11.853 11.212 311 H GLY 41 H GLY 41 -5.245 11.354 10.899 312 1HA GLY 41 1HA GLY 41 -2.829 11.308 9.443 313 2HA GLY 41 2HA GLY 41 -3.160 12.196 10.917 314 H GLY 42 H GLY 42 -2.692 8.743 9.857 315 1HA GLY 42 1HA GLY 42 -1.492 8.104 12.431 316 2HA GLY 42 2HA GLY 42 -1.884 7.001 11.127 317 H ASP 43 H ASP 43 0.087 5.970 10.800 318 HA ASP 43 HA ASP 43 2.421 7.645 10.558 319 1HB ASP 43 1HB ASP 43 1.844 4.832 11.194 320 2HB ASP 43 2HB ASP 43 3.117 4.961 9.997 321 H TYR 44 H TYR 44 0.159 5.596 8.703 322 HA TYR 44 HA TYR 44 1.742 6.080 6.272 323 1HB TYR 44 1HB TYR 44 -0.608 4.168 6.512 324 2HB TYR 44 2HB TYR 44 0.849 3.973 5.559 325 HD1 TYR 44 1HD TYR 44 3.091 3.822 7.095 326 HD2 TYR 44 2HD TYR 44 -0.864 2.756 8.330 327 HE1 TYR 44 1HE TYR 44 4.053 2.300 8.890 328 HE2 TYR 44 2HE TYR 44 0.112 1.238 10.121 329 HH TYR 44 HH TYR 44 3.617 0.775 10.376 330 H SER 45 H SER 45 0.352 8.295 7.119 331 HA SER 45 HA SER 45 -2.303 8.330 6.273 332 1HB SER 45 1HB SER 45 -2.239 10.637 6.743 333 2HB SER 45 2HB SER 45 -1.004 9.987 7.802 334 HG SER 45 HG SER 45 0.625 10.683 6.356 335 H MET 46 H MET 46 0.826 8.745 4.631 336 HA MET 46 HA MET 46 -0.416 9.825 2.287 337 1HB MET 46 1HB MET 46 2.007 9.564 1.406 338 2HB MET 46 2HB MET 46 1.817 10.622 2.790 339 1HG MET 46 1HG MET 46 2.286 7.742 3.450 340 2HG MET 46 2HG MET 46 3.630 8.557 2.675 341 1HE MET 46 1HE MET 46 4.203 11.646 4.838 342 2HE MET 46 2HE MET 46 3.774 11.146 3.184 343 3HE MET 46 3HE MET 46 2.516 11.763 4.282 344 H PHE 47 H PHE 47 0.653 6.690 3.556 345 HA PHE 47 HA PHE 47 0.734 5.383 1.043 346 1HB PHE 47 1HB PHE 47 0.299 4.388 3.924 347 2HB PHE 47 2HB PHE 47 0.765 3.360 2.584 348 HD1 PHE 47 1HD PHE 47 2.471 6.226 1.883 349 HD2 PHE 47 2HD PHE 47 2.460 3.103 4.757 350 HE1 PHE 47 1HE PHE 47 4.890 6.675 2.380 351 HE2 PHE 47 2HE PHE 47 4.879 3.552 5.253 352 HZ PHE 47 HZ PHE 47 6.065 5.333 4.059 353 H ALA 48 H ALA 48 -1.764 5.966 3.547 354 HA ALA 48 HA ALA 48 -3.634 4.112 2.930 355 1HB ALA 48 1HB ALA 48 -5.265 5.735 3.764 356 2HB ALA 48 2HB ALA 48 -3.766 5.841 4.718 357 3HB ALA 48 3HB ALA 48 -4.120 7.068 3.478 358 H GLY 49 H GLY 49 -4.812 3.548 1.163 359 1HA GLY 49 1HA GLY 49 -5.541 3.564 -0.967 360 2HA GLY 49 2HA GLY 49 -6.041 5.210 -0.630 361 H LYS 50 H LYS 50 -2.669 3.913 -0.701 362 HA LYS 50 HA LYS 50 -2.177 5.052 -3.284 363 1HB LYS 50 1HB LYS 50 -1.062 6.383 -0.802 364 2HB LYS 50 2HB LYS 50 -0.374 6.593 -2.400 365 1HG LYS 50 1HG LYS 50 -2.823 7.218 -3.133 366 2HG LYS 50 2HG LYS 50 -3.129 7.415 -1.419 367 1HD LYS 50 1HD LYS 50 -0.627 8.738 -2.240 368 2HD LYS 50 2HD LYS 50 -2.004 9.334 -3.146 369 1HE LYS 50 1HE LYS 50 -3.204 9.516 -0.823 370 2HE LYS 50 2HE LYS 50 -1.604 9.341 -0.130 371 1HZ LYS 50 1HZ LYS 50 -1.066 11.198 -1.841 372 2HZ LYS 50 2HZ LYS 50 -2.665 11.512 -1.729 373 3HZ LYS 50 3HZ LYS 50 -1.726 11.569 -0.394 374 H ASP 51 H ASP 51 -0.376 4.107 -4.250 375 HA ASP 51 HA ASP 51 0.560 1.794 -2.930 376 1HB ASP 51 1HB ASP 51 0.189 1.910 -5.390 377 2HB ASP 51 2HB ASP 51 1.432 3.136 -5.532 378 H ALA 52 H ALA 52 2.204 1.903 -1.391 379 HA ALA 52 HA ALA 52 4.179 4.051 -1.688 380 1HB ALA 52 1HB ALA 52 4.595 3.639 0.732 381 2HB ALA 52 2HB ALA 52 2.902 4.080 0.402 382 3HB ALA 52 3HB ALA 52 3.335 2.382 0.715 383 H SER 53 H SER 53 4.779 2.310 -3.543 384 HA SER 53 HA SER 53 6.131 0.032 -2.573 385 1HB SER 53 1HB SER 53 6.965 -0.092 -4.981 386 2HB SER 53 2HB SER 53 5.223 -0.091 -4.785 387 HG SER 53 HG SER 53 5.113 1.708 -5.930 388 H ARG 54 H ARG 54 7.191 3.180 -4.061 389 HA ARG 54 HA ARG 54 9.895 2.645 -3.685 390 1HB ARG 54 1HB ARG 54 8.780 5.467 -3.759 391 2HB ARG 54 2HB ARG 54 10.254 4.860 -4.486 392 1HG ARG 54 1HG ARG 54 8.223 3.315 -5.688 393 2HG ARG 54 2HG ARG 54 7.522 4.917 -5.581 394 1HD ARG 54 1HD ARG 54 10.348 4.530 -6.641 395 2HD ARG 54 2HD ARG 54 8.962 4.319 -7.693 396 HE ARG 54 HE ARG 54 8.752 6.811 -6.238 397 1HH1 ARG 54 2HH2 ARG 54 10.419 5.302 -8.945 398 2HH1 ARG 54 1HH2 ARG 54 10.682 6.796 -9.781 399 1HH2 ARG 54 2HH1 ARG 54 9.099 8.782 -7.341 400 2HH2 ARG 54 1HH1 ARG 54 9.927 8.789 -8.862 401 H ALA 55 H ALA 55 7.388 4.360 -1.750 402 HA ALA 55 HA ALA 55 9.101 5.494 0.139 403 1HB ALA 55 1HB ALA 55 7.139 6.318 0.868 404 2HB ALA 55 2HB ALA 55 6.341 5.366 -0.407 405 3HB ALA 55 3HB ALA 55 6.524 4.687 1.228 406 H LEU 56 H LEU 56 7.425 2.295 -0.011 407 HA LEU 56 HA LEU 56 8.235 1.441 2.523 408 1HB LEU 56 1HB LEU 56 7.126 0.217 0.061 409 2HB LEU 56 2HB LEU 56 7.942 -0.866 1.171 410 HG LEU 56 HG LEU 56 6.419 -0.394 2.932 411 1HD1 LEU 56 1HD1 LEU 56 4.469 1.349 2.008 412 2HD1 LEU 56 2HD1 LEU 56 5.739 1.709 3.201 413 3HD1 LEU 56 3HD1 LEU 56 5.996 2.098 1.484 414 1HD2 LEU 56 1HD2 LEU 56 4.265 -0.417 0.996 415 2HD2 LEU 56 2HD2 LEU 56 5.600 -1.480 0.489 416 3HD2 LEU 56 3HD2 LEU 56 4.839 -1.704 2.083 417 H GLY 57 H GLY 57 9.702 1.003 -0.759 418 1HA GLY 57 1HA GLY 57 11.826 -0.613 -0.088 419 2HA GLY 57 2HA GLY 57 11.827 0.585 -1.367 420 H LYS 58 H LYS 58 12.400 2.874 -0.797 421 HA LYS 58 HA LYS 58 14.749 2.975 0.666 422 1HB LYS 58 1HB LYS 58 12.907 5.276 -0.049 423 2HB LYS 58 2HB LYS 58 14.609 5.387 0.349 424 1HG LYS 58 1HG LYS 58 15.299 4.440 -1.678 425 2HG LYS 58 2HG LYS 58 13.827 3.510 -1.874 426 1HD LYS 58 1HD LYS 58 12.868 6.123 -1.947 427 2HD LYS 58 2HD LYS 58 14.430 6.291 -2.723 428 1HE LYS 58 1HE LYS 58 12.909 3.905 -3.629 429 2HE LYS 58 2HE LYS 58 12.101 5.421 -3.975 430 1HZ LYS 58 1HZ LYS 58 14.938 5.154 -4.576 431 2HZ LYS 58 2HZ LYS 58 13.839 4.507 -5.597 432 3HZ LYS 58 3HZ LYS 58 13.820 6.111 -5.286 433 H MET 59 H MET 59 11.421 2.978 1.701 434 HA MET 59 HA MET 59 10.569 2.903 3.711 435 1HB MET 59 1HB MET 59 13.297 3.508 4.951 436 2HB MET 59 2HB MET 59 11.970 2.626 5.678 437 1HG MET 59 1HG MET 59 12.298 0.951 3.653 438 2HG MET 59 2HG MET 59 13.872 1.707 3.498 439 1HE MET 59 1HE MET 59 12.334 -0.930 6.899 440 2HE MET 59 2HE MET 59 11.351 0.250 6.000 441 3HE MET 59 3HE MET 59 12.025 -1.169 5.163 442 H SER 60 H SER 60 10.515 5.287 2.222 443 HA SER 60 HA SER 60 10.864 7.283 4.321 444 1HB SER 60 1HB SER 60 11.967 7.310 1.793 445 2HB SER 60 2HB SER 60 10.496 8.222 1.520 446 HG SER 60 HG SER 60 12.715 9.206 2.479 447 H LYS 61 H LYS 61 9.214 9.217 3.984 448 HA LYS 61 HA LYS 61 6.606 7.996 3.411 449 1HB LYS 61 1HB LYS 61 5.671 9.194 5.164 450 2HB LYS 61 2HB LYS 61 7.230 8.722 5.807 451 1HG LYS 61 1HG LYS 61 7.909 11.104 4.624 452 2HG LYS 61 2HG LYS 61 6.238 11.435 5.032 453 1HD LYS 61 1HD LYS 61 6.733 10.649 7.406 454 2HD LYS 61 2HD LYS 61 8.423 10.522 6.959 455 1HE LYS 61 1HE LYS 61 8.519 12.929 6.434 456 2HE LYS 61 2HE LYS 61 6.794 13.094 6.697 457 1HZ LYS 61 1HZ LYS 61 7.736 13.740 8.675 458 2HZ LYS 61 2HZ LYS 61 7.320 12.194 8.997 459 3HZ LYS 61 3HZ LYS 61 8.876 12.571 8.675 460 H ASN 62 H ASN 62 8.718 9.438 1.642 461 HA ASN 62 HA ASN 62 7.882 11.943 1.020 462 1HB ASN 62 1HB ASN 62 9.045 9.688 -0.671 463 2HB ASN 62 2HB ASN 62 8.686 11.243 -1.396 464 1HD2 ASN 62 1HD2 ASN 62 10.493 12.303 -1.666 465 2HD2 ASN 62 2HD2 ASN 62 11.764 12.523 -0.510 466 H GLU 63 H GLU 63 6.346 12.776 -0.583 467 HA GLU 63 HA GLU 63 4.045 11.137 -0.832 468 1HB GLU 63 1HB GLU 63 4.488 13.854 -0.671 469 2HB GLU 63 2HB GLU 63 4.160 13.674 -2.383 470 1HG GLU 63 1HG GLU 63 2.078 12.303 -1.711 471 2HG GLU 63 2HG GLU 63 2.367 12.831 -0.065 472 H GLU 64 H GLU 64 6.868 11.875 -2.770 473 HA GLU 64 HA GLU 64 5.558 11.110 -5.208 474 1HB GLU 64 1HB GLU 64 8.536 11.577 -4.836 475 2HB GLU 64 2HB GLU 64 7.595 11.735 -6.306 476 1HG GLU 64 1HG GLU 64 6.528 13.449 -4.169 477 2HG GLU 64 2HG GLU 64 8.219 13.793 -4.473 478 H ASP 65 H ASP 65 7.301 9.648 -2.572 479 HA ASP 65 HA ASP 65 8.484 7.554 -3.979 480 1HB ASP 65 1HB ASP 65 7.822 8.207 -1.139 481 2HB ASP 65 2HB ASP 65 7.998 6.497 -1.479 482 H VAL 66 H VAL 66 5.214 8.268 -2.834 483 HA VAL 66 HA VAL 66 4.317 5.548 -2.879 484 HB VAL 66 HB VAL 66 2.540 7.962 -2.966 485 1HG1 VAL 66 1HG1 VAL 66 1.387 5.871 -2.939 486 2HG1 VAL 66 2HG1 VAL 66 2.420 5.242 -1.633 487 3HG1 VAL 66 3HG1 VAL 66 1.262 6.553 -1.300 488 1HG2 VAL 66 1HG2 VAL 66 3.856 8.839 -1.319 489 2HG2 VAL 66 2HG2 VAL 66 2.872 7.744 -0.318 490 3HG2 VAL 66 3HG2 VAL 66 4.504 7.254 -0.834 491 H SER 67 H SER 67 4.812 4.717 -4.950 492 HA SER 67 HA SER 67 3.299 6.017 -7.080 493 1HB SER 67 1HB SER 67 5.488 6.242 -7.843 494 2HB SER 67 2HB SER 67 6.042 4.792 -7.029 495 HG SER 67 HG SER 67 5.886 3.895 -8.970 496 HA PRO 68 HA PRO 68 1.207 2.173 -7.137 497 1HB PRO 68 1HB PRO 68 -0.470 2.658 -9.240 498 2HB PRO 68 2HB PRO 68 -0.805 3.190 -7.605 499 1HG PRO 68 1HG PRO 68 0.107 4.783 -9.922 500 2HG PRO 68 2HG PRO 68 -0.630 5.336 -8.432 501 1HD PRO 68 1HD PRO 68 2.148 5.483 -9.130 502 2HD PRO 68 2HD PRO 68 1.428 5.929 -7.596 503 H SER 69 H SER 69 3.647 3.002 -8.982 504 HA SER 69 HA SER 69 3.609 0.416 -10.224 505 1HB SER 69 1HB SER 69 2.646 2.411 -11.774 506 2HB SER 69 2HB SER 69 4.354 2.669 -12.065 507 HG SER 69 HG SER 69 4.253 0.133 -12.393 508 H LEU 70 H LEU 70 5.508 -0.353 -9.346 509 HA LEU 70 HA LEU 70 7.533 0.907 -8.229 510 1HB LEU 70 1HB LEU 70 9.011 -0.952 -9.265 511 2HB LEU 70 2HB LEU 70 7.715 -1.358 -8.158 512 HG LEU 70 HG LEU 70 7.087 -1.367 -11.079 513 1HD1 LEU 70 1HD1 LEU 70 9.215 -2.484 -11.108 514 2HD1 LEU 70 2HD1 LEU 70 8.757 -3.495 -9.716 515 3HD1 LEU 70 3HD1 LEU 70 7.926 -3.700 -11.277 516 1HD2 LEU 70 1HD2 LEU 70 5.252 -2.396 -10.377 517 2HD2 LEU 70 2HD2 LEU 70 6.210 -3.655 -9.563 518 3HD2 LEU 70 3HD2 LEU 70 5.801 -2.153 -8.702 519 H GLU 71 H GLU 71 7.215 0.444 -11.807 520 HA GLU 71 HA GLU 71 9.069 1.146 -13.148 521 1HB GLU 71 1HB GLU 71 6.631 2.877 -12.846 522 2HB GLU 71 2HB GLU 71 7.914 3.472 -13.881 523 1HG GLU 71 1HG GLU 71 7.876 1.117 -14.995 524 2HG GLU 71 2HG GLU 71 6.358 0.870 -14.154 525 H GLY 72 H GLY 72 10.890 1.428 -11.608 526 1HA GLY 72 1HA GLY 72 12.434 3.474 -11.713 527 2HA GLY 72 2HA GLY 72 11.231 4.198 -10.665 528 H LEU 73 H LEU 73 10.507 1.819 -9.147 529 HA LEU 73 HA LEU 73 12.128 1.959 -7.019 530 1HB LEU 73 1HB LEU 73 10.135 0.129 -8.035 531 2HB LEU 73 2HB LEU 73 11.364 -0.738 -7.135 532 HG LEU 73 HG LEU 73 10.735 1.512 -5.558 533 1HD1 LEU 73 1HD1 LEU 73 8.329 1.395 -5.263 534 2HD1 LEU 73 2HD1 LEU 73 8.724 1.833 -6.942 535 3HD1 LEU 73 3HD1 LEU 73 8.204 0.176 -6.554 536 1HD2 LEU 73 1HD2 LEU 73 9.999 -0.110 -3.951 537 2HD2 LEU 73 2HD2 LEU 73 9.741 -1.329 -5.222 538 3HD2 LEU 73 3HD2 LEU 73 11.390 -0.782 -4.836 539 H THR 74 H THR 74 14.284 1.775 -6.780 540 HA THR 74 HA THR 74 15.808 0.261 -8.694 541 HB THR 74 HB THR 74 17.691 1.303 -7.560 542 HG1 THR 74 1HG THR 74 17.269 2.208 -5.413 543 1HG2 THR 74 1HG2 THR 74 16.376 3.655 -6.848 544 2HG2 THR 74 2HG2 THR 74 16.942 3.271 -8.491 545 3HG2 THR 74 3HG2 THR 74 15.254 2.940 -8.030 546 H GLU 75 H GLU 75 17.863 -0.854 -7.243 547 HA GLU 75 HA GLU 75 16.644 -3.268 -6.506 548 1HB GLU 75 1HB GLU 75 19.332 -2.250 -6.987 549 2HB GLU 75 2HB GLU 75 19.325 -3.263 -5.557 550 1HG GLU 75 1HG GLU 75 17.727 -4.718 -7.327 551 2HG GLU 75 2HG GLU 75 18.924 -4.012 -8.395 552 H LYS 76 H LYS 76 18.131 -0.535 -4.690 553 HA LYS 76 HA LYS 76 18.209 -1.666 -2.188 554 1HB LYS 76 1HB LYS 76 18.636 0.451 -1.433 555 2HB LYS 76 2HB LYS 76 18.981 0.664 -3.137 556 1HG LYS 76 1HG LYS 76 16.757 1.620 -3.536 557 2HG LYS 76 2HG LYS 76 16.250 1.241 -1.902 558 1HD LYS 76 1HD LYS 76 16.939 3.334 -1.337 559 2HD LYS 76 2HD LYS 76 18.577 2.725 -1.475 560 1HE LYS 76 1HE LYS 76 18.603 3.361 -3.902 561 2HE LYS 76 2HE LYS 76 16.972 3.984 -3.752 562 1HZ LYS 76 1HZ LYS 76 17.834 5.487 -2.026 563 2HZ LYS 76 2HZ LYS 76 19.351 4.975 -2.346 564 3HZ LYS 76 3HZ LYS 76 18.493 5.754 -3.496 565 H GLU 77 H GLU 77 15.484 0.132 -3.772 566 HA GLU 77 HA GLU 77 13.782 -0.403 -1.575 567 1HB GLU 77 1HB GLU 77 12.024 0.417 -3.389 568 2HB GLU 77 2HB GLU 77 13.144 1.548 -2.658 569 1HG GLU 77 1HG GLU 77 14.294 0.188 -5.017 570 2HG GLU 77 2HG GLU 77 12.836 1.080 -5.404 571 H ILE 78 H ILE 78 14.300 -1.771 -4.867 572 HA ILE 78 HA ILE 78 12.112 -3.423 -5.007 573 HB ILE 78 HB ILE 78 14.873 -3.459 -6.133 574 1HG1 ILE 78 1HG1 ILE 78 12.470 -2.306 -6.876 575 2HG1 ILE 78 2HG1 ILE 78 13.887 -2.504 -7.888 576 1HG2 ILE 78 1HG2 ILE 78 12.882 -5.700 -6.575 577 2HG2 ILE 78 2HG2 ILE 78 14.465 -5.500 -7.364 578 3HG2 ILE 78 3HG2 ILE 78 14.377 -5.825 -5.616 579 1HD1 ILE 78 1HD1 ILE 78 11.890 -3.429 -9.009 580 2HD1 ILE 78 2HD1 ILE 78 13.047 -4.731 -8.642 581 3HD1 ILE 78 3HD1 ILE 78 11.601 -4.513 -7.626 582 H ASN 79 H ASN 79 14.997 -3.637 -2.980 583 HA ASN 79 HA ASN 79 14.518 -6.382 -2.371 584 1HB ASN 79 1HB ASN 79 16.518 -4.268 -1.593 585 2HB ASN 79 2HB ASN 79 16.277 -5.565 -0.440 586 1HD2 ASN 79 1HD2 ASN 79 18.428 -4.718 -2.449 587 2HD2 ASN 79 2HD2 ASN 79 18.864 -6.176 -3.275 588 H THR 80 H THR 80 14.277 -3.130 -0.769 589 HA THR 80 HA THR 80 13.143 -4.213 1.630 590 HB THR 80 HB THR 80 13.513 -1.389 0.504 591 HG1 THR 80 1HG THR 80 15.313 -1.543 1.989 592 1HG2 THR 80 1HG2 THR 80 12.602 -2.386 3.250 593 2HG2 THR 80 2HG2 THR 80 13.296 -0.768 2.986 594 3HG2 THR 80 3HG2 THR 80 11.765 -1.220 2.198 595 H LEU 81 H LEU 81 11.880 -2.446 -1.256 596 HA LEU 81 HA LEU 81 9.270 -2.229 -0.366 597 1HB LEU 81 1HB LEU 81 9.842 -0.953 -2.202 598 2HB LEU 81 2HB LEU 81 10.605 -2.289 -3.041 599 HG LEU 81 HG LEU 81 8.296 -1.322 -3.834 600 1HD1 LEU 81 1HD1 LEU 81 8.039 -3.190 -5.125 601 2HD1 LEU 81 2HD1 LEU 81 9.696 -3.454 -4.531 602 3HD1 LEU 81 3HD1 LEU 81 8.332 -4.309 -3.772 603 1HD2 LEU 81 1HD2 LEU 81 7.454 -1.970 -1.371 604 2HD2 LEU 81 2HD2 LEU 81 6.387 -1.958 -2.795 605 3HD2 LEU 81 3HD2 LEU 81 7.077 -3.492 -2.212 606 H ASN 82 H ASN 82 10.786 -4.823 -2.408 607 HA ASN 82 HA ASN 82 8.583 -6.371 -2.683 608 1HB ASN 82 1HB ASN 82 11.552 -6.910 -2.563 609 2HB ASN 82 2HB ASN 82 10.489 -8.303 -2.516 610 1HD2 ASN 82 1HD2 ASN 82 10.568 -5.161 -4.204 611 2HD2 ASN 82 2HD2 ASN 82 10.307 -5.768 -5.805 612 H ASP 83 H ASP 83 10.909 -6.073 0.047 613 HA ASP 83 HA ASP 83 9.962 -8.305 1.446 614 1HB ASP 83 1HB ASP 83 12.101 -6.583 1.679 615 2HB ASP 83 2HB ASP 83 11.092 -6.010 2.993 616 H TRP 84 H TRP 84 9.136 -4.823 1.264 617 HA TRP 84 HA TRP 84 7.612 -4.631 3.595 618 1HB TRP 84 1HB TRP 84 8.015 -3.075 1.128 619 2HB TRP 84 2HB TRP 84 6.452 -2.847 1.887 620 HD1 TRP 84 HD TRP 84 9.850 -1.469 2.056 621 HE1 TRP 84 1HE TRP 84 10.328 -0.052 4.230 622 HE3 TRP 84 3HE TRP 84 5.789 -3.100 4.645 623 HZ2 TRP 84 2HZ TRP 84 8.983 0.222 6.732 624 HZ3 TRP 84 3HZ TRP 84 5.445 -2.208 6.947 625 HH2 TRP 84 HH TRP 84 6.962 -0.603 7.995 626 H GLU 85 H GLU 85 6.917 -5.765 0.255 627 HA GLU 85 HA GLU 85 4.152 -5.934 0.629 628 1HB GLU 85 1HB GLU 85 4.501 -6.062 -1.615 629 2HB GLU 85 2HB GLU 85 6.132 -6.671 -1.419 630 1HG GLU 85 1HG GLU 85 5.233 -8.955 -0.956 631 2HG GLU 85 2HG GLU 85 3.597 -8.351 -1.122 632 H THR 86 H THR 86 6.850 -8.332 0.908 633 HA THR 86 HA THR 86 5.195 -10.526 1.516 634 HB THR 86 HB THR 86 8.131 -9.800 1.793 635 HG1 THR 86 1HG THR 86 8.070 -11.676 0.266 636 1HG2 THR 86 1HG2 THR 86 8.018 -11.290 3.649 637 2HG2 THR 86 2HG2 THR 86 6.669 -12.209 2.940 638 3HG2 THR 86 3HG2 THR 86 8.313 -12.390 2.282 639 H LYS 87 H LYS 87 6.546 -7.885 3.486 640 HA LYS 87 HA LYS 87 5.948 -9.181 5.950 641 1HB LYS 87 1HB LYS 87 6.588 -6.287 5.306 642 2HB LYS 87 2HB LYS 87 6.487 -6.962 6.920 643 1HG LYS 87 1HG LYS 87 8.441 -8.237 6.670 644 2HG LYS 87 2HG LYS 87 8.278 -8.350 4.929 645 1HD LYS 87 1HD LYS 87 9.561 -6.504 4.613 646 2HD LYS 87 2HD LYS 87 8.565 -5.554 5.697 647 1HE LYS 87 1HE LYS 87 9.805 -6.718 7.645 648 2HE LYS 87 2HE LYS 87 10.921 -7.339 6.446 649 1HZ LYS 87 1HZ LYS 87 11.734 -5.282 6.040 650 2HZ LYS 87 2HZ LYS 87 10.353 -4.496 6.418 651 3HZ LYS 87 3HZ LYS 87 11.318 -5.068 7.604 652 H PHE 88 H PHE 88 4.312 -6.852 3.762 653 HA PHE 88 HA PHE 88 2.172 -6.401 5.586 654 1HB PHE 88 1HB PHE 88 3.089 -5.686 2.829 655 2HB PHE 88 2HB PHE 88 1.344 -5.778 2.961 656 HD1 PHE 88 1HD PHE 88 0.910 -3.458 2.640 657 HD2 PHE 88 2HD PHE 88 3.543 -4.711 5.723 658 HE1 PHE 88 1HE PHE 88 0.862 -1.148 3.619 659 HE2 PHE 88 2HE PHE 88 3.495 -2.400 6.703 660 HZ PHE 88 HZ PHE 88 2.155 -0.646 5.639 661 H GLU 89 H GLU 89 2.717 -8.462 2.670 662 HA GLU 89 HA GLU 89 0.057 -9.381 2.640 663 1HB GLU 89 1HB GLU 89 0.709 -10.669 0.790 664 2HB GLU 89 2HB GLU 89 1.845 -9.336 0.732 665 1HG GLU 89 1HG GLU 89 3.451 -10.959 0.663 666 2HG GLU 89 2HG GLU 89 3.192 -11.083 2.392 667 H ALA 90 H ALA 90 2.860 -10.118 4.553 668 HA ALA 90 HA ALA 90 1.932 -12.797 5.184 669 1HB ALA 90 1HB ALA 90 4.336 -11.146 6.055 670 2HB ALA 90 2HB ALA 90 4.012 -12.813 6.591 671 3HB ALA 90 3HB ALA 90 4.319 -12.474 4.870 672 H LYS 91 H LYS 91 1.285 -9.581 6.098 673 HA LYS 91 HA LYS 91 0.334 -10.525 8.712 674 1HB LYS 91 1HB LYS 91 1.938 -8.123 7.994 675 2HB LYS 91 2HB LYS 91 0.649 -7.884 9.157 676 1HG LYS 91 1HG LYS 91 1.989 -10.332 9.863 677 2HG LYS 91 2HG LYS 91 3.229 -9.131 9.561 678 1HD LYS 91 1HD LYS 91 2.820 -8.508 11.729 679 2HD LYS 91 2HD LYS 91 1.480 -7.621 11.030 680 1HE LYS 91 1HE LYS 91 0.579 -10.323 11.385 681 2HE LYS 91 2HE LYS 91 1.402 -9.871 12.864 682 1HZ LYS 91 1HZ LYS 91 -0.767 -9.140 13.107 683 2HZ LYS 91 2HZ LYS 91 0.044 -7.775 12.727 684 3HZ LYS 91 3HZ LYS 91 -0.866 -8.526 11.597 685 H TYR 92 H TYR 92 -0.073 -7.634 6.545 686 HA TYR 92 HA TYR 92 -2.806 -7.393 7.183 687 1HB TYR 92 1HB TYR 92 -0.912 -6.433 4.960 688 2HB TYR 92 2HB TYR 92 -2.581 -5.902 5.008 689 HD1 TYR 92 1HD TYR 92 0.218 -4.385 5.328 690 HD2 TYR 92 2HD TYR 92 -2.870 -5.609 8.024 691 HE1 TYR 92 1HE TYR 92 0.855 -2.509 6.922 692 HE2 TYR 92 2HE TYR 92 -2.223 -3.729 9.608 693 HH TYR 92 HH TYR 92 -0.128 -1.212 8.656 694 HA PRO 93 HA PRO 93 -4.480 -10.270 4.399 695 1HB PRO 93 1HB PRO 93 -7.108 -9.536 4.539 696 2HB PRO 93 2HB PRO 93 -6.338 -10.569 5.726 697 1HG PRO 93 1HG PRO 93 -7.096 -7.721 5.961 698 2HG PRO 93 2HG PRO 93 -6.728 -8.868 7.234 699 1HD PRO 93 1HD PRO 93 -5.014 -6.791 6.249 700 2HD PRO 93 2HD PRO 93 -4.605 -8.010 7.440 701 H VAL 94 H VAL 94 -4.809 -10.574 2.243 702 HA VAL 94 HA VAL 94 -4.786 -8.069 0.767 703 HB VAL 94 HB VAL 94 -4.455 -10.922 -0.180 704 1HG1 VAL 94 1HG1 VAL 94 -4.496 -10.057 -2.234 705 2HG1 VAL 94 2HG1 VAL 94 -4.720 -8.420 -1.572 706 3HG1 VAL 94 3HG1 VAL 94 -3.079 -9.061 -1.822 707 1HG2 VAL 94 1HG2 VAL 94 -2.750 -9.626 1.530 708 2HG2 VAL 94 2HG2 VAL 94 -2.272 -10.897 0.379 709 3HG2 VAL 94 3HG2 VAL 94 -2.075 -9.182 -0.057 710 H VAL 95 H VAL 95 -6.741 -7.181 0.333 711 HA VAL 95 HA VAL 95 -9.035 -8.934 0.087 712 HB VAL 95 HB VAL 95 -10.303 -6.857 0.073 713 1HG1 VAL 95 1HG1 VAL 95 -8.406 -7.595 2.200 714 2HG1 VAL 95 2HG1 VAL 95 -9.015 -5.926 2.316 715 3HG1 VAL 95 3HG1 VAL 95 -10.158 -7.290 2.277 716 1HG2 VAL 95 1HG2 VAL 95 -8.159 -5.672 -1.073 717 2HG2 VAL 95 2HG2 VAL 95 -9.457 -4.776 -0.247 718 3HG2 VAL 95 3HG2 VAL 95 -7.940 -5.140 0.611 719 H GLY 96 H GLY 96 -6.554 -7.823 -1.908 720 1HA GLY 96 1HA GLY 96 -7.448 -8.858 -4.245 721 2HA GLY 96 2HA GLY 96 -8.131 -7.244 -4.253 722 H ARG 97 H ARG 97 -6.520 -7.406 -6.266 723 HA ARG 97 HA ARG 97 -4.012 -6.294 -5.296 724 1HB ARG 97 1HB ARG 97 -2.770 -7.681 -6.644 725 2HB ARG 97 2HB ARG 97 -4.198 -8.697 -6.633 726 1HG ARG 97 1HG ARG 97 -3.730 -6.497 -8.698 727 2HG ARG 97 2HG ARG 97 -3.253 -8.165 -8.949 728 1HD ARG 97 1HD ARG 97 -6.057 -7.912 -8.032 729 2HD ARG 97 2HD ARG 97 -5.764 -7.076 -9.544 730 HE ARG 97 HE ARG 97 -5.856 -9.932 -9.176 731 1HH1 ARG 97 2HH2 ARG 97 -4.144 -7.449 -10.988 732 2HH1 ARG 97 1HH2 ARG 97 -3.754 -8.501 -12.308 733 1HH2 ARG 97 2HH1 ARG 97 -5.343 -11.320 -10.917 734 2HH2 ARG 97 1HH1 ARG 97 -4.441 -10.717 -12.267 735 H VAL 98 H VAL 98 -3.508 -4.275 -6.157 736 HA VAL 98 HA VAL 98 -5.333 -2.739 -7.434 737 HB VAL 98 HB VAL 98 -2.320 -2.683 -7.413 738 1HG1 VAL 98 1HG1 VAL 98 -2.330 -0.472 -8.349 739 2HG1 VAL 98 2HG1 VAL 98 -3.217 -1.539 -9.465 740 3HG1 VAL 98 3HG1 VAL 98 -4.109 -0.436 -8.390 741 1HG2 VAL 98 1HG2 VAL 98 -2.919 -2.142 -5.279 742 2HG2 VAL 98 2HG2 VAL 98 -3.082 -0.528 -6.012 743 3HG2 VAL 98 3HG2 VAL 98 -4.524 -1.540 -5.760 744 H VAL 99 H VAL 99 -5.643 -2.000 -9.631 745 HA VAL 99 HA VAL 99 -4.338 -3.494 -11.724 746 HB VAL 99 HB VAL 99 -6.769 -4.420 -10.639 747 1HG1 VAL 99 1HG1 VAL 99 -7.154 -3.158 -13.375 748 2HG1 VAL 99 2HG1 VAL 99 -8.278 -4.306 -12.608 749 3HG1 VAL 99 3HG1 VAL 99 -7.988 -2.714 -11.866 750 1HG2 VAL 99 1HG2 VAL 99 -5.158 -5.068 -13.114 751 2HG2 VAL 99 2HG2 VAL 99 -5.234 -5.947 -11.568 752 3HG2 VAL 99 3HG2 VAL 99 -6.625 -5.976 -12.678 753 H SER 100 H SER 100 -6.987 -1.226 -10.755 754 HA SER 100 HA SER 100 -7.510 0.757 -11.473 755 1HB SER 100 1HB SER 100 -4.696 0.544 -12.358 756 2HB SER 100 2HB SER 100 -5.634 1.663 -13.328 757 HG SER 100 HG SER 100 -5.084 1.742 -10.508 Start of MODEL 17 1 1H GLY -1 H GLY -1 -8.908 -15.001 -10.048 2 1HA GLY -1 1HA GLY -1 -8.193 -12.272 -9.870 3 2HA GLY -1 2HA GLY -1 -9.604 -12.950 -10.657 4 HA PRO 0 HA PRO 0 -10.619 -11.801 -6.142 5 1HB PRO 0 1HB PRO 0 -9.130 -9.787 -5.050 6 2HB PRO 0 2HB PRO 0 -8.829 -11.483 -4.729 7 1HG PRO 0 1HG PRO 0 -7.310 -9.626 -6.457 8 2HG PRO 0 2HG PRO 0 -6.806 -11.167 -5.792 9 1HD PRO 0 1HD PRO 0 -7.625 -10.647 -8.492 10 2HD PRO 0 2HD PRO 0 -7.233 -12.208 -7.797 11 H MET 1 H MET 1 -10.986 -9.280 -4.994 12 HA MET 1 HA MET 1 -12.927 -8.341 -6.759 13 1HB MET 1 1HB MET 1 -11.635 -7.338 -4.189 14 2HB MET 1 2HB MET 1 -12.772 -6.306 -5.033 15 1HG MET 1 1HG MET 1 -13.538 -9.181 -4.447 16 2HG MET 1 2HG MET 1 -13.634 -7.991 -3.164 17 1HE MET 1 1HE MET 1 -15.988 -5.401 -4.182 18 2HE MET 1 2HE MET 1 -16.371 -6.689 -3.015 19 3HE MET 1 3HE MET 1 -14.717 -6.040 -3.112 20 H GLU 2 H GLU 2 -9.536 -7.407 -6.112 21 HA GLU 2 HA GLU 2 -8.185 -5.995 -7.058 22 1HB GLU 2 1HB GLU 2 -10.056 -6.184 -9.461 23 2HB GLU 2 2HB GLU 2 -8.408 -5.590 -9.505 24 1HG GLU 2 1HG GLU 2 -7.593 -7.700 -9.659 25 2HG GLU 2 2HG GLU 2 -8.420 -8.173 -8.188 26 H PHE 3 H PHE 3 -8.002 -3.928 -6.322 27 HA PHE 3 HA PHE 3 -10.314 -2.172 -6.736 28 1HB PHE 3 1HB PHE 3 -7.984 -2.241 -4.728 29 2HB PHE 3 2HB PHE 3 -9.145 -0.930 -4.782 30 HD1 PHE 3 1HD PHE 3 -10.885 -1.018 -3.281 31 HD2 PHE 3 2HD PHE 3 -9.157 -4.665 -4.595 32 HE1 PHE 3 1HE PHE 3 -12.395 -2.292 -1.732 33 HE2 PHE 3 2HE PHE 3 -10.668 -5.939 -3.047 34 HZ PHE 3 HZ PHE 3 -12.268 -4.737 -1.634 35 H THR 4 H THR 4 -10.087 -0.349 -7.972 36 HA THR 4 HA THR 4 -7.541 0.057 -9.269 37 HB THR 4 HB THR 4 -8.857 1.555 -10.688 38 HG1 THR 4 1HG THR 4 -11.153 1.896 -9.833 39 1HG2 THR 4 1HG2 THR 4 -9.874 -0.284 -11.590 40 2HG2 THR 4 2HG2 THR 4 -9.862 -1.115 -10.016 41 3HG2 THR 4 3HG2 THR 4 -11.206 -0.028 -10.438 42 H ALA 5 H ALA 5 -6.499 2.190 -9.421 43 HA ALA 5 HA ALA 5 -5.803 3.146 -6.938 44 1HB ALA 5 1HB ALA 5 -4.296 4.245 -8.197 45 2HB ALA 5 2HB ALA 5 -5.103 3.566 -9.630 46 3HB ALA 5 3HB ALA 5 -5.572 5.172 -9.021 47 H GLU 6 H GLU 6 -8.590 3.884 -8.979 48 HA GLU 6 HA GLU 6 -9.164 6.344 -7.728 49 1HB GLU 6 1HB GLU 6 -10.256 4.695 -9.859 50 2HB GLU 6 2HB GLU 6 -11.556 5.240 -8.818 51 1HG GLU 6 1HG GLU 6 -10.974 7.564 -9.133 52 2HG GLU 6 2HG GLU 6 -9.425 7.159 -9.846 53 H GLN 7 H GLN 7 -10.370 2.949 -7.371 54 HA GLN 7 HA GLN 7 -12.170 3.677 -5.322 55 1HB GLN 7 1HB GLN 7 -11.281 1.169 -6.672 56 2HB GLN 7 2HB GLN 7 -11.874 0.966 -5.036 57 1HG GLN 7 1HG GLN 7 -13.944 0.926 -6.004 58 2HG GLN 7 2HG GLN 7 -13.786 2.671 -6.055 59 1HE2 GLN 7 1HE2 GLN 7 -14.012 -0.223 -7.824 60 2HE2 GLN 7 2HE2 GLN 7 -13.844 0.405 -9.429 61 H LEU 8 H LEU 8 -8.855 2.278 -5.476 62 HA LEU 8 HA LEU 8 -8.609 1.644 -2.782 63 1HB LEU 8 1HB LEU 8 -7.023 0.721 -4.166 64 2HB LEU 8 2HB LEU 8 -6.732 2.216 -5.032 65 HG LEU 8 HG LEU 8 -5.816 2.959 -2.612 66 1HD1 LEU 8 1HD1 LEU 8 -4.631 0.270 -2.537 67 2HD1 LEU 8 2HD1 LEU 8 -5.178 1.329 -1.215 68 3HD1 LEU 8 3HD1 LEU 8 -6.355 0.327 -2.097 69 1HD2 LEU 8 1HD2 LEU 8 -4.677 2.051 -5.107 70 2HD2 LEU 8 2HD2 LEU 8 -4.114 3.319 -3.991 71 3HD2 LEU 8 3HD2 LEU 8 -3.618 1.628 -3.740 72 H SER 9 H SER 9 -8.325 4.732 -4.552 73 HA SER 9 HA SER 9 -7.106 6.101 -2.434 74 1HB SER 9 1HB SER 9 -7.082 6.848 -4.823 75 2HB SER 9 2HB SER 9 -8.801 7.177 -4.732 76 HG SER 9 HG SER 9 -8.335 9.086 -3.904 77 H GLN 10 H GLN 10 -10.167 4.704 -2.698 78 HA GLN 10 HA GLN 10 -11.401 6.782 -1.082 79 1HB GLN 10 1HB GLN 10 -12.974 4.411 -2.031 80 2HB GLN 10 2HB GLN 10 -13.467 6.086 -1.878 81 1HG GLN 10 1HG GLN 10 -12.041 6.675 -3.859 82 2HG GLN 10 2HG GLN 10 -11.579 4.992 -4.019 83 1HE2 GLN 10 1HE2 GLN 10 -13.811 3.593 -3.599 84 2HE2 GLN 10 2HE2 GLN 10 -15.039 3.945 -4.768 85 H TYR 11 H TYR 11 -9.325 4.581 -0.328 86 HA TYR 11 HA TYR 11 -10.798 3.701 2.037 87 1HB TYR 11 1HB TYR 11 -9.038 2.038 0.128 88 2HB TYR 11 2HB TYR 11 -9.654 1.431 1.652 89 HD1 TYR 11 1HD TYR 11 -12.387 1.924 1.840 90 HD2 TYR 11 2HD TYR 11 -10.142 1.232 -1.735 91 HE1 TYR 11 1HE TYR 11 -14.494 1.125 0.663 92 HE2 TYR 11 2HE TYR 11 -12.257 0.435 -2.900 93 HH TYR 11 HH TYR 11 -14.511 -0.653 -1.988 94 H ASN 12 H ASN 12 -9.253 5.836 2.318 95 HA ASN 12 HA ASN 12 -6.610 4.840 3.000 96 1HB ASN 12 1HB ASN 12 -5.805 7.007 2.643 97 2HB ASN 12 2HB ASN 12 -7.184 7.041 1.562 98 1HD2 ASN 12 1HD2 ASN 12 -9.281 7.725 2.549 99 2HD2 ASN 12 2HD2 ASN 12 -9.268 9.050 3.664 100 H GLY 13 H GLY 13 -9.585 5.045 4.374 101 1HA GLY 13 1HA GLY 13 -10.235 4.922 6.541 102 2HA GLY 13 2HA GLY 13 -8.580 5.183 7.055 103 H THR 14 H THR 14 -11.690 6.676 6.348 104 HA THR 14 HA THR 14 -11.267 8.864 7.973 105 HB THR 14 HB THR 14 -9.765 9.139 5.613 106 HG1 THR 14 1HG THR 14 -9.529 11.237 6.596 107 1HG2 THR 14 1HG2 THR 14 -12.243 10.937 5.509 108 2HG2 THR 14 2HG2 THR 14 -10.826 11.026 4.435 109 3HG2 THR 14 3HG2 THR 14 -11.917 9.622 4.354 110 H ASP 15 H ASP 15 -12.819 7.539 5.033 111 HA ASP 15 HA ASP 15 -15.052 9.151 5.114 112 1HB ASP 15 1HB ASP 15 -14.154 6.756 3.754 113 2HB ASP 15 2HB ASP 15 -15.809 6.503 4.271 114 H GLU 16 H GLU 16 -17.303 7.404 5.260 115 HA GLU 16 HA GLU 16 -17.866 7.410 7.923 116 1HB GLU 16 1HB GLU 16 -19.037 5.929 5.558 117 2HB GLU 16 2HB GLU 16 -19.667 5.628 7.165 118 1HG GLU 16 1HG GLU 16 -20.226 7.993 7.466 119 2HG GLU 16 2HG GLU 16 -19.404 8.429 5.981 120 H SER 17 H SER 17 -18.025 4.225 6.274 121 HA SER 17 HA SER 17 -16.325 3.206 8.416 122 1HB SER 17 1HB SER 17 -19.017 2.540 7.793 123 2HB SER 17 2HB SER 17 -18.064 1.178 7.240 124 HG SER 17 HG SER 17 -16.986 1.616 9.553 125 H LYS 18 H LYS 18 -15.691 4.208 5.613 126 HA LYS 18 HA LYS 18 -15.265 2.032 3.913 127 1HB LYS 18 1HB LYS 18 -14.758 4.861 3.955 128 2HB LYS 18 2HB LYS 18 -13.306 4.035 3.426 129 1HG LYS 18 1HG LYS 18 -14.800 4.543 1.506 130 2HG LYS 18 2HG LYS 18 -14.577 2.815 1.694 131 1HD LYS 18 1HD LYS 18 -16.777 3.086 3.248 132 2HD LYS 18 2HD LYS 18 -17.025 4.486 2.222 133 1HE LYS 18 1HE LYS 18 -16.236 2.076 0.693 134 2HE LYS 18 2HE LYS 18 -17.726 1.852 1.589 135 1HZ LYS 18 1HZ LYS 18 -17.212 4.150 -0.167 136 2HZ LYS 18 2HZ LYS 18 -18.032 2.814 -0.624 137 3HZ LYS 18 3HZ LYS 18 -18.627 3.774 0.556 138 HA PRO 19 HA PRO 19 -11.906 0.152 5.903 139 1HB PRO 19 1HB PRO 19 -11.243 -1.666 3.973 140 2HB PRO 19 2HB PRO 19 -12.531 -1.926 5.132 141 1HG PRO 19 1HG PRO 19 -12.729 -1.222 2.268 142 2HG PRO 19 2HG PRO 19 -13.959 -1.892 3.321 143 1HD PRO 19 1HD PRO 19 -13.748 0.831 2.445 144 2HD PRO 19 2HD PRO 19 -14.908 0.185 3.588 145 H ILE 20 H ILE 20 -9.564 -0.250 5.798 146 HA ILE 20 HA ILE 20 -8.436 1.807 4.043 147 HB ILE 20 HB ILE 20 -7.261 0.575 6.536 148 1HG1 ILE 20 1HG1 ILE 20 -7.920 3.271 7.000 149 2HG1 ILE 20 2HG1 ILE 20 -9.334 2.582 6.228 150 1HG2 ILE 20 1HG2 ILE 20 -5.405 1.425 5.566 151 2HG2 ILE 20 2HG2 ILE 20 -6.317 2.559 4.542 152 3HG2 ILE 20 3HG2 ILE 20 -6.022 2.946 6.254 153 1HD1 ILE 20 1HD1 ILE 20 -9.489 0.813 7.884 154 2HD1 ILE 20 2HD1 ILE 20 -7.906 1.249 8.571 155 3HD1 ILE 20 3HD1 ILE 20 -9.291 2.351 8.758 156 H TYR 21 H TYR 21 -7.312 1.167 2.288 157 HA TYR 21 HA TYR 21 -6.075 -1.496 2.400 158 1HB TYR 21 1HB TYR 21 -7.663 -0.047 0.193 159 2HB TYR 21 2HB TYR 21 -6.760 -1.518 -0.108 160 HD1 TYR 21 1HD TYR 21 -7.388 -3.147 2.282 161 HD2 TYR 21 2HD TYR 21 -9.913 -0.620 -0.073 162 HE1 TYR 21 1HE TYR 21 -9.413 -4.524 2.963 163 HE2 TYR 21 2HE TYR 21 -11.930 -2.006 0.616 164 HH TYR 21 HH TYR 21 -11.722 -4.367 3.125 165 H VAL 22 H VAL 22 -4.062 -1.705 1.358 166 HA VAL 22 HA VAL 22 -2.976 0.824 0.324 167 HB VAL 22 HB VAL 22 -1.454 -1.303 1.834 168 1HG1 VAL 22 1HG1 VAL 22 0.383 0.091 1.750 169 2HG1 VAL 22 2HG1 VAL 22 -0.375 0.441 0.177 170 3HG1 VAL 22 3HG1 VAL 22 -0.601 1.560 1.543 171 1HG2 VAL 22 1HG2 VAL 22 -1.618 -0.027 3.825 172 2HG2 VAL 22 2HG2 VAL 22 -2.351 1.354 2.975 173 3HG2 VAL 22 3HG2 VAL 22 -3.277 -0.150 3.194 174 H ALA 23 H ALA 23 -1.394 0.612 -1.403 175 HA ALA 23 HA ALA 23 -1.770 -1.906 -2.867 176 1HB ALA 23 1HB ALA 23 -1.104 -0.408 -4.845 177 2HB ALA 23 2HB ALA 23 -2.696 -0.100 -4.110 178 3HB ALA 23 3HB ALA 23 -1.321 0.967 -3.735 179 H ILE 24 H ILE 24 0.014 -3.097 -3.502 180 HA ILE 24 HA ILE 24 2.634 -1.885 -3.106 181 HB ILE 24 HB ILE 24 1.440 -3.983 -1.445 182 1HG1 ILE 24 1HG1 ILE 24 3.545 -1.867 -1.251 183 2HG1 ILE 24 2HG1 ILE 24 2.143 -2.152 -0.239 184 1HG2 ILE 24 1HG2 ILE 24 2.810 -5.422 -2.860 185 2HG2 ILE 24 2HG2 ILE 24 4.229 -4.391 -2.560 186 3HG2 ILE 24 3HG2 ILE 24 3.492 -5.303 -1.220 187 1HD1 ILE 24 1HD1 ILE 24 3.301 -4.335 0.518 188 2HD1 ILE 24 2HD1 ILE 24 4.764 -3.696 -0.269 189 3HD1 ILE 24 3HD1 ILE 24 4.024 -2.810 1.086 190 H LYS 25 H LYS 25 3.581 -2.040 -5.063 191 HA LYS 25 HA LYS 25 4.184 -2.822 -7.038 192 1HB LYS 25 1HB LYS 25 3.906 -5.534 -5.707 193 2HB LYS 25 2HB LYS 25 4.770 -5.211 -7.197 194 1HG LYS 25 1HG LYS 25 5.415 -3.911 -4.508 195 2HG LYS 25 2HG LYS 25 6.271 -5.288 -5.174 196 1HD LYS 25 1HD LYS 25 6.012 -2.651 -6.682 197 2HD LYS 25 2HD LYS 25 7.329 -2.965 -5.570 198 1HE LYS 25 1HE LYS 25 7.225 -5.272 -7.210 199 2HE LYS 25 2HE LYS 25 6.948 -3.939 -8.313 200 1HZ LYS 25 1HZ LYS 25 8.930 -2.958 -6.911 201 2HZ LYS 25 2HZ LYS 25 9.288 -4.543 -6.745 202 3HZ LYS 25 3HZ LYS 25 9.173 -3.883 -8.235 203 H GLY 26 H GLY 26 1.223 -2.513 -6.232 204 1HA GLY 26 1HA GLY 26 -0.515 -2.414 -7.790 205 2HA GLY 26 2HA GLY 26 0.180 -3.757 -8.676 206 H ARG 27 H ARG 27 0.234 -4.161 -5.217 207 HA ARG 27 HA ARG 27 -2.059 -5.931 -5.488 208 1HB ARG 27 1HB ARG 27 0.417 -6.739 -4.850 209 2HB ARG 27 2HB ARG 27 -0.037 -6.194 -3.247 210 1HG ARG 27 1HG ARG 27 -2.142 -7.637 -3.450 211 2HG ARG 27 2HG ARG 27 -1.481 -8.286 -4.938 212 1HD ARG 27 1HD ARG 27 0.517 -8.371 -2.788 213 2HD ARG 27 2HD ARG 27 -0.952 -9.196 -2.305 214 HE ARG 27 HE ARG 27 0.955 -10.222 -4.126 215 1HH1 ARG 27 2HH2 ARG 27 -2.531 -9.764 -3.990 216 2HH1 ARG 27 1HH2 ARG 27 -2.876 -11.107 -5.028 217 1HH2 ARG 27 2HH1 ARG 27 0.500 -11.993 -5.496 218 2HH2 ARG 27 1HH1 ARG 27 -1.140 -12.383 -5.891 219 H VAL 28 H VAL 28 -3.842 -5.537 -4.179 220 HA VAL 28 HA VAL 28 -3.693 -3.246 -2.432 221 HB VAL 28 HB VAL 28 -5.949 -5.066 -3.290 222 1HG1 VAL 28 1HG1 VAL 28 -6.235 -3.981 -1.010 223 2HG1 VAL 28 2HG1 VAL 28 -6.220 -2.413 -1.853 224 3HG1 VAL 28 3HG1 VAL 28 -7.489 -3.607 -2.216 225 1HG2 VAL 28 1HG2 VAL 28 -5.680 -2.175 -4.060 226 2HG2 VAL 28 2HG2 VAL 28 -4.725 -3.406 -4.922 227 3HG2 VAL 28 3HG2 VAL 28 -6.502 -3.509 -4.906 228 H PHE 29 H PHE 29 -3.324 -3.336 -0.277 229 HA PHE 29 HA PHE 29 -3.737 -5.946 1.004 230 1HB PHE 29 1HB PHE 29 -1.631 -3.734 1.270 231 2HB PHE 29 2HB PHE 29 -1.857 -4.899 2.559 232 HD1 PHE 29 1HD PHE 29 -1.518 -7.359 2.033 233 HD2 PHE 29 2HD PHE 29 -0.336 -4.267 -0.622 234 HE1 PHE 29 1HE PHE 29 0.025 -8.955 0.862 235 HE2 PHE 29 2HE PHE 29 1.207 -5.863 -1.794 236 HZ PHE 29 HZ PHE 29 1.369 -8.188 -1.037 237 H ASP 30 H ASP 30 -4.396 -5.895 3.275 238 HA ASP 30 HA ASP 30 -5.919 -3.481 3.802 239 1HB ASP 30 1HB ASP 30 -6.604 -6.190 3.900 240 2HB ASP 30 2HB ASP 30 -6.315 -5.815 5.587 241 H VAL 31 H VAL 31 -5.251 -2.158 5.513 242 HA VAL 31 HA VAL 31 -3.428 -3.364 7.477 243 HB VAL 31 HB VAL 31 -2.201 -1.283 7.538 244 1HG1 VAL 31 1HG1 VAL 31 -0.887 -1.778 5.754 245 2HG1 VAL 31 2HG1 VAL 31 -1.982 -3.176 5.620 246 3HG1 VAL 31 3HG1 VAL 31 -2.244 -1.739 4.602 247 1HG2 VAL 31 1HG2 VAL 31 -2.831 0.240 5.374 248 2HG2 VAL 31 2HG2 VAL 31 -4.447 -0.327 5.861 249 3HG2 VAL 31 3HG2 VAL 31 -3.423 0.549 7.024 250 H THR 32 H THR 32 -6.501 -2.583 7.102 251 HA THR 32 HA THR 32 -7.115 -0.531 8.845 252 HB THR 32 HB THR 32 -8.957 -1.320 7.651 253 HG1 THR 32 1HG THR 32 -10.255 -2.166 9.312 254 1HG2 THR 32 1HG2 THR 32 -8.468 -3.300 6.543 255 2HG2 THR 32 2HG2 THR 32 -7.561 -3.959 7.926 256 3HG2 THR 32 3HG2 THR 32 -9.340 -4.025 7.915 257 H THR 33 H THR 33 -5.876 -3.762 9.526 258 HA THR 33 HA THR 33 -6.741 -4.054 12.144 259 HB THR 33 HB THR 33 -5.693 -5.895 10.990 260 HG1 THR 33 1HG THR 33 -5.081 -5.762 13.236 261 1HG2 THR 33 1HG2 THR 33 -2.928 -4.918 10.941 262 2HG2 THR 33 2HG2 THR 33 -3.866 -5.675 9.631 263 3HG2 THR 33 3HG2 THR 33 -3.968 -3.918 9.899 264 H GLY 34 H GLY 34 -4.905 -1.512 10.856 265 1HA GLY 34 1HA GLY 34 -4.272 -0.599 13.547 266 2HA GLY 34 2HA GLY 34 -2.904 -0.861 12.484 267 H LYS 35 H LYS 35 -6.248 0.358 11.767 268 HA LYS 35 HA LYS 35 -5.467 2.235 9.931 269 1HB LYS 35 1HB LYS 35 -7.663 2.760 9.844 270 2HB LYS 35 2HB LYS 35 -7.828 1.314 10.819 271 1HG LYS 35 1HG LYS 35 -7.672 2.760 12.899 272 2HG LYS 35 2HG LYS 35 -7.652 4.178 11.868 273 1HD LYS 35 1HD LYS 35 -9.869 2.264 11.302 274 2HD LYS 35 2HD LYS 35 -9.942 3.015 12.883 275 1HE LYS 35 1HE LYS 35 -9.592 5.277 11.689 276 2HE LYS 35 2HE LYS 35 -9.843 4.424 10.179 277 1HZ LYS 35 1HZ LYS 35 -11.770 5.383 11.851 278 2HZ LYS 35 2HZ LYS 35 -12.000 4.426 10.548 279 3HZ LYS 35 3HZ LYS 35 -11.849 3.762 12.032 280 H SER 36 H SER 36 -5.137 2.254 13.422 281 HA SER 36 HA SER 36 -5.136 4.943 13.907 282 1HB SER 36 1HB SER 36 -4.735 2.720 15.412 283 2HB SER 36 2HB SER 36 -3.074 3.267 15.299 284 HG SER 36 HG SER 36 -3.635 5.252 16.259 285 H PHE 37 H PHE 37 -2.975 3.048 11.971 286 HA PHE 37 HA PHE 37 -0.923 5.135 12.135 287 1HB PHE 37 1HB PHE 37 -0.953 2.256 11.046 288 2HB PHE 37 2HB PHE 37 0.459 3.293 11.011 289 HD1 PHE 37 1HD PHE 37 1.663 3.826 13.075 290 HD2 PHE 37 2HD PHE 37 -1.687 1.220 13.106 291 HE1 PHE 37 1HE PHE 37 2.315 3.014 15.358 292 HE2 PHE 37 2HE PHE 37 -1.034 0.408 15.389 293 HZ PHE 37 HZ PHE 37 0.959 1.315 16.488 294 H TYR 38 H TYR 38 -2.932 3.142 9.890 295 HA TYR 38 HA TYR 38 -2.025 4.766 7.652 296 1HB TYR 38 1HB TYR 38 -3.186 2.114 8.249 297 2HB TYR 38 2HB TYR 38 -4.142 2.912 7.015 298 HD1 TYR 38 1HD TYR 38 -1.310 0.884 7.614 299 HD2 TYR 38 2HD TYR 38 -2.763 3.946 5.004 300 HE1 TYR 38 1HE TYR 38 0.380 0.189 5.847 301 HE2 TYR 38 2HE TYR 38 -1.068 3.241 3.245 302 HH TYR 38 HH TYR 38 1.537 1.273 3.941 303 H GLY 39 H GLY 39 -4.965 4.070 9.611 304 1HA GLY 39 1HA GLY 39 -6.935 5.249 8.159 305 2HA GLY 39 2HA GLY 39 -6.828 5.305 9.907 306 H SER 40 H SER 40 -8.057 7.445 8.899 307 HA SER 40 HA SER 40 -6.867 9.490 7.773 308 1HB SER 40 1HB SER 40 -8.142 10.478 10.208 309 2HB SER 40 2HB SER 40 -8.669 10.627 8.544 310 HG SER 40 HG SER 40 -10.240 9.415 9.631 311 H GLY 41 H GLY 41 -5.222 10.989 8.163 312 1HA GLY 41 1HA GLY 41 -3.207 11.575 9.046 313 2HA GLY 41 2HA GLY 41 -4.227 12.029 10.397 314 H GLY 42 H GLY 42 -2.262 9.349 9.008 315 1HA GLY 42 1HA GLY 42 -1.672 8.475 11.753 316 2HA GLY 42 2HA GLY 42 -2.272 7.307 10.592 317 H ASP 43 H ASP 43 0.089 6.568 11.477 318 HA ASP 43 HA ASP 43 2.374 7.680 10.697 319 1HB ASP 43 1HB ASP 43 1.469 5.070 11.429 320 2HB ASP 43 2HB ASP 43 2.453 4.849 9.996 321 H TYR 44 H TYR 44 0.239 5.490 8.724 322 HA TYR 44 HA TYR 44 1.796 6.185 6.344 323 1HB TYR 44 1HB TYR 44 -0.549 4.244 6.526 324 2HB TYR 44 2HB TYR 44 0.878 4.113 5.517 325 HD1 TYR 44 1HD TYR 44 3.172 3.932 6.972 326 HD2 TYR 44 2HD TYR 44 -0.724 2.750 8.287 327 HE1 TYR 44 1HE TYR 44 4.216 2.349 8.666 328 HE2 TYR 44 2HE TYR 44 0.333 1.171 9.976 329 HH TYR 44 HH TYR 44 3.311 1.381 11.019 330 H SER 45 H SER 45 0.578 8.432 6.915 331 HA SER 45 HA SER 45 -2.131 8.492 6.139 332 1HB SER 45 1HB SER 45 -1.220 10.166 7.678 333 2HB SER 45 2HB SER 45 -0.049 10.692 6.485 334 HG SER 45 HG SER 45 -2.286 11.866 6.830 335 H MET 46 H MET 46 1.026 8.860 4.528 336 HA MET 46 HA MET 46 -0.152 9.941 2.164 337 1HB MET 46 1HB MET 46 2.254 9.582 1.299 338 2HB MET 46 2HB MET 46 2.119 10.623 2.702 339 1HG MET 46 1HG MET 46 2.420 7.730 3.355 340 2HG MET 46 2HG MET 46 3.798 8.427 2.527 341 1HE MET 46 1HE MET 46 4.674 11.492 4.606 342 2HE MET 46 2HE MET 46 4.108 11.020 2.986 343 3HE MET 46 3HE MET 46 2.970 11.736 4.153 344 H PHE 47 H PHE 47 0.688 6.767 3.477 345 HA PHE 47 HA PHE 47 0.681 5.462 0.934 346 1HB PHE 47 1HB PHE 47 0.348 4.426 3.814 347 2HB PHE 47 2HB PHE 47 0.809 3.443 2.438 348 HD1 PHE 47 1HD PHE 47 2.512 6.220 1.650 349 HD2 PHE 47 2HD PHE 47 2.489 3.288 4.718 350 HE1 PHE 47 1HE PHE 47 4.931 6.695 2.121 351 HE2 PHE 47 2HE PHE 47 4.908 3.763 5.189 352 HZ PHE 47 HZ PHE 47 6.100 5.460 3.885 353 H ALA 48 H ALA 48 -1.652 6.091 3.585 354 HA ALA 48 HA ALA 48 -3.597 4.274 3.021 355 1HB ALA 48 1HB ALA 48 -5.102 5.814 4.110 356 2HB ALA 48 2HB ALA 48 -3.507 5.987 4.880 357 3HB ALA 48 3HB ALA 48 -4.064 7.202 3.704 358 H GLY 49 H GLY 49 -4.770 3.778 1.240 359 1HA GLY 49 1HA GLY 49 -5.818 3.983 -0.737 360 2HA GLY 49 2HA GLY 49 -6.013 5.691 -0.397 361 H LYS 50 H LYS 50 -2.832 4.040 -0.550 362 HA LYS 50 HA LYS 50 -2.365 4.876 -3.249 363 1HB LYS 50 1HB LYS 50 -0.922 6.297 -0.991 364 2HB LYS 50 2HB LYS 50 -0.476 6.384 -2.683 365 1HG LYS 50 1HG LYS 50 -2.860 7.208 -3.165 366 2HG LYS 50 2HG LYS 50 -3.097 7.320 -1.432 367 1HD LYS 50 1HD LYS 50 -1.602 9.107 -1.193 368 2HD LYS 50 2HD LYS 50 -0.646 8.640 -2.585 369 1HE LYS 50 1HE LYS 50 -1.842 10.013 -3.943 370 2HE LYS 50 2HE LYS 50 -3.348 9.257 -3.463 371 1HZ LYS 50 1HZ LYS 50 -3.330 10.662 -1.493 372 2HZ LYS 50 2HZ LYS 50 -1.961 11.394 -1.998 373 3HZ LYS 50 3HZ LYS 50 -3.337 11.552 -2.862 374 H ASP 51 H ASP 51 -0.365 3.980 -4.093 375 HA ASP 51 HA ASP 51 0.316 1.610 -2.646 376 1HB ASP 51 1HB ASP 51 -0.065 1.563 -5.104 377 2HB ASP 51 2HB ASP 51 1.244 2.704 -5.343 378 H ALA 52 H ALA 52 1.580 2.475 -0.847 379 HA ALA 52 HA ALA 52 3.829 4.179 -1.441 380 1HB ALA 52 1HB ALA 52 2.375 4.421 0.593 381 2HB ALA 52 2HB ALA 52 2.987 2.851 1.165 382 3HB ALA 52 3HB ALA 52 4.103 4.224 0.972 383 H SER 53 H SER 53 4.213 2.006 -2.998 384 HA SER 53 HA SER 53 5.556 -0.058 -1.618 385 1HB SER 53 1HB SER 53 6.250 -0.724 -3.991 386 2HB SER 53 2HB SER 53 4.526 -0.653 -3.687 387 HG SER 53 HG SER 53 4.355 1.273 -4.825 388 H ARG 54 H ARG 54 6.551 2.767 -3.661 389 HA ARG 54 HA ARG 54 9.271 2.199 -3.470 390 1HB ARG 54 1HB ARG 54 8.240 5.026 -3.826 391 2HB ARG 54 2HB ARG 54 9.588 4.245 -4.628 392 1HG ARG 54 1HG ARG 54 7.548 2.632 -5.487 393 2HG ARG 54 2HG ARG 54 6.666 4.131 -5.275 394 1HD ARG 54 1HD ARG 54 9.287 3.990 -6.832 395 2HD ARG 54 2HD ARG 54 7.729 3.744 -7.597 396 HE ARG 54 HE ARG 54 7.907 6.209 -5.999 397 1HH1 ARG 54 2HH2 ARG 54 8.346 4.757 -9.175 398 2HH1 ARG 54 1HH2 ARG 54 8.212 6.262 -10.022 399 1HH2 ARG 54 2HH1 ARG 54 7.730 8.194 -7.117 400 2HH2 ARG 54 1HH1 ARG 54 7.860 8.230 -8.844 401 H ALA 55 H ALA 55 7.036 4.394 -1.656 402 HA ALA 55 HA ALA 55 8.962 5.629 -0.074 403 1HB ALA 55 1HB ALA 55 6.251 5.822 -0.461 404 2HB ALA 55 2HB ALA 55 6.324 5.104 1.166 405 3HB ALA 55 3HB ALA 55 7.147 6.647 0.837 406 H LEU 56 H LEU 56 7.259 2.487 0.201 407 HA LEU 56 HA LEU 56 8.158 1.986 2.844 408 1HB LEU 56 1HB LEU 56 6.723 0.522 0.701 409 2HB LEU 56 2HB LEU 56 7.559 -0.454 1.893 410 HG LEU 56 HG LEU 56 5.612 1.720 2.677 411 1HD1 LEU 56 1HD1 LEU 56 5.003 -0.725 1.322 412 2HD1 LEU 56 2HD1 LEU 56 4.411 -0.831 2.997 413 3HD1 LEU 56 3HD1 LEU 56 3.897 0.517 1.955 414 1HD2 LEU 56 1HD2 LEU 56 7.245 0.849 4.368 415 2HD2 LEU 56 2HD2 LEU 56 5.532 0.627 4.797 416 3HD2 LEU 56 3HD2 LEU 56 6.483 -0.750 4.193 417 H GLY 57 H GLY 57 9.354 1.245 -0.462 418 1HA GLY 57 1HA GLY 57 11.383 -0.541 0.233 419 2HA GLY 57 2HA GLY 57 11.339 0.485 -1.186 420 H LYS 58 H LYS 58 12.026 2.833 -0.899 421 HA LYS 58 HA LYS 58 14.531 2.917 0.333 422 1HB LYS 58 1HB LYS 58 12.807 5.241 -0.574 423 2HB LYS 58 2HB LYS 58 14.541 5.259 -0.324 424 1HG LYS 58 1HG LYS 58 14.859 4.527 -2.443 425 2HG LYS 58 2HG LYS 58 13.996 3.049 -2.066 426 1HD LYS 58 1HD LYS 58 11.826 4.523 -2.415 427 2HD LYS 58 2HD LYS 58 12.906 5.619 -3.253 428 1HE LYS 58 1HE LYS 58 13.627 3.170 -4.355 429 2HE LYS 58 2HE LYS 58 11.910 2.945 -4.087 430 1HZ LYS 58 1HZ LYS 58 11.792 4.016 -6.025 431 2HZ LYS 58 2HZ LYS 58 11.938 5.371 -5.125 432 3HZ LYS 58 3HZ LYS 58 13.245 4.746 -5.879 433 H MET 59 H MET 59 11.294 3.350 1.565 434 HA MET 59 HA MET 59 10.554 3.710 3.580 435 1HB MET 59 1HB MET 59 13.487 3.823 4.478 436 2HB MET 59 2HB MET 59 12.109 3.572 5.532 437 1HG MET 59 1HG MET 59 11.936 1.350 4.984 438 2HG MET 59 2HG MET 59 12.197 1.650 3.277 439 1HE MET 59 1HE MET 59 13.366 -0.713 5.281 440 2HE MET 59 2HE MET 59 15.015 -0.412 5.879 441 3HE MET 59 3HE MET 59 13.639 0.479 6.574 442 H SER 60 H SER 60 10.701 5.898 1.890 443 HA SER 60 HA SER 60 11.852 8.023 3.483 444 1HB SER 60 1HB SER 60 12.008 7.678 0.840 445 2HB SER 60 2HB SER 60 10.450 8.480 0.849 446 HG SER 60 HG SER 60 11.771 10.062 2.386 447 H LYS 61 H LYS 61 8.751 6.721 2.241 448 HA LYS 61 HA LYS 61 6.677 7.006 2.977 449 1HB LYS 61 1HB LYS 61 7.733 8.944 5.053 450 2HB LYS 61 2HB LYS 61 6.182 8.128 5.056 451 1HG LYS 61 1HG LYS 61 7.160 5.993 5.480 452 2HG LYS 61 2HG LYS 61 8.750 6.512 4.957 453 1HD LYS 61 1HD LYS 61 7.890 8.219 7.140 454 2HD LYS 61 2HD LYS 61 7.670 6.547 7.616 455 1HE LYS 61 1HE LYS 61 10.237 6.990 6.218 456 2HE LYS 61 2HE LYS 61 10.088 7.967 7.666 457 1HZ LYS 61 1HZ LYS 61 9.523 5.958 8.876 458 2HZ LYS 61 2HZ LYS 61 9.701 5.057 7.525 459 3HZ LYS 61 3HZ LYS 61 10.990 5.824 8.171 460 H ASN 62 H ASN 62 8.442 8.906 1.161 461 HA ASN 62 HA ASN 62 7.233 11.394 1.267 462 1HB ASN 62 1HB ASN 62 8.882 9.836 -0.689 463 2HB ASN 62 2HB ASN 62 7.917 11.114 -1.400 464 1HD2 ASN 62 1HD2 ASN 62 8.061 13.265 -0.445 465 2HD2 ASN 62 2HD2 ASN 62 9.570 13.820 0.201 466 H GLU 63 H GLU 63 5.333 12.204 0.232 467 HA GLU 63 HA GLU 63 3.379 10.319 -0.411 468 1HB GLU 63 1HB GLU 63 3.242 12.835 0.445 469 2HB GLU 63 2HB GLU 63 3.169 13.209 -1.265 470 1HG GLU 63 1HG GLU 63 1.374 11.022 -0.861 471 2HG GLU 63 2HG GLU 63 1.083 12.134 0.462 472 H GLU 64 H GLU 64 5.916 11.853 -2.255 473 HA GLU 64 HA GLU 64 4.548 11.370 -4.745 474 1HB GLU 64 1HB GLU 64 7.413 12.321 -4.479 475 2HB GLU 64 2HB GLU 64 6.278 12.633 -5.777 476 1HG GLU 64 1HG GLU 64 5.766 13.629 -2.946 477 2HG GLU 64 2HG GLU 64 6.727 14.555 -4.081 478 H ASP 65 H ASP 65 6.750 9.813 -2.545 479 HA ASP 65 HA ASP 65 8.173 8.305 -4.413 480 1HB ASP 65 1HB ASP 65 7.751 8.365 -1.480 481 2HB ASP 65 2HB ASP 65 8.049 6.750 -2.091 482 H VAL 66 H VAL 66 5.206 7.746 -2.398 483 HA VAL 66 HA VAL 66 4.734 5.115 -2.964 484 HB VAL 66 HB VAL 66 3.269 5.851 -1.437 485 1HG1 VAL 66 1HG1 VAL 66 3.502 8.473 -2.863 486 2HG1 VAL 66 2HG1 VAL 66 2.096 8.206 -1.805 487 3HG1 VAL 66 3HG1 VAL 66 3.744 8.079 -1.144 488 1HG2 VAL 66 1HG2 VAL 66 1.195 5.497 -2.245 489 2HG2 VAL 66 2HG2 VAL 66 1.306 6.844 -3.403 490 3HG2 VAL 66 3HG2 VAL 66 2.021 5.264 -3.804 491 H SER 67 H SER 67 4.528 4.018 -4.839 492 HA SER 67 HA SER 67 3.241 5.448 -7.024 493 1HB SER 67 1HB SER 67 4.857 4.765 -8.595 494 2HB SER 67 2HB SER 67 5.826 5.196 -7.199 495 HG SER 67 HG SER 67 5.694 2.808 -8.480 496 HA PRO 68 HA PRO 68 0.864 1.769 -6.907 497 1HB PRO 68 1HB PRO 68 -0.902 2.387 -8.899 498 2HB PRO 68 2HB PRO 68 -1.096 2.930 -7.244 499 1HG PRO 68 1HG PRO 68 -0.220 4.471 -9.609 500 2HG PRO 68 2HG PRO 68 -0.821 5.064 -8.074 501 1HD PRO 68 1HD PRO 68 1.912 5.019 -8.945 502 2HD PRO 68 2HD PRO 68 1.322 5.503 -7.367 503 H SER 69 H SER 69 3.203 2.485 -8.958 504 HA SER 69 HA SER 69 2.847 -0.078 -10.244 505 1HB SER 69 1HB SER 69 2.800 0.686 -12.399 506 2HB SER 69 2HB SER 69 2.159 2.141 -11.663 507 HG SER 69 HG SER 69 4.019 2.442 -13.167 508 H LEU 70 H LEU 70 4.937 -0.937 -11.117 509 HA LEU 70 HA LEU 70 7.107 -0.088 -9.427 510 1HB LEU 70 1HB LEU 70 8.177 -2.048 -10.876 511 2HB LEU 70 2HB LEU 70 7.187 -2.320 -9.456 512 HG LEU 70 HG LEU 70 5.899 -2.228 -12.170 513 1HD1 LEU 70 1HD1 LEU 70 7.972 -4.045 -11.488 514 2HD1 LEU 70 2HD1 LEU 70 6.435 -4.942 -11.452 515 3HD1 LEU 70 3HD1 LEU 70 6.911 -4.051 -12.918 516 1HD2 LEU 70 1HD2 LEU 70 4.084 -3.019 -11.132 517 2HD2 LEU 70 2HD2 LEU 70 5.020 -4.197 -10.181 518 3HD2 LEU 70 3HD2 LEU 70 4.894 -2.509 -9.631 519 H GLU 71 H GLU 71 6.533 2.079 -10.937 520 HA GLU 71 HA GLU 71 8.411 1.945 -13.154 521 1HB GLU 71 1HB GLU 71 5.920 3.481 -12.615 522 2HB GLU 71 2HB GLU 71 7.199 4.413 -13.368 523 1HG GLU 71 1HG GLU 71 7.345 2.146 -14.889 524 2HG GLU 71 2HG GLU 71 5.649 2.087 -14.452 525 H GLY 72 H GLY 72 9.720 1.881 -10.773 526 1HA GLY 72 1HA GLY 72 11.444 4.026 -10.827 527 2HA GLY 72 2HA GLY 72 10.220 4.454 -9.648 528 H LEU 73 H LEU 73 9.713 1.510 -8.998 529 HA LEU 73 HA LEU 73 11.191 1.279 -6.744 530 1HB LEU 73 1HB LEU 73 9.884 -0.736 -8.539 531 2HB LEU 73 2HB LEU 73 10.784 -1.264 -7.131 532 HG LEU 73 HG LEU 73 8.319 -1.055 -6.788 533 1HD1 LEU 73 1HD1 LEU 73 10.296 0.440 -5.087 534 2HD1 LEU 73 2HD1 LEU 73 8.575 0.377 -4.637 535 3HD1 LEU 73 3HD1 LEU 73 9.508 -1.130 -4.801 536 1HD2 LEU 73 1HD2 LEU 73 8.772 1.936 -6.860 537 2HD2 LEU 73 2HD2 LEU 73 8.079 1.006 -8.211 538 3HD2 LEU 73 3HD2 LEU 73 7.237 1.060 -6.643 539 H THR 74 H THR 74 13.369 1.649 -6.670 540 HA THR 74 HA THR 74 15.072 0.513 -8.712 541 HB THR 74 HB THR 74 16.772 1.884 -7.631 542 HG1 THR 74 1HG THR 74 16.130 1.184 -5.440 543 1HG2 THR 74 1HG2 THR 74 15.760 4.080 -7.535 544 2HG2 THR 74 2HG2 THR 74 14.830 3.180 -8.757 545 3HG2 THR 74 3HG2 THR 74 14.169 3.400 -7.119 546 H GLU 75 H GLU 75 17.338 -0.284 -7.494 547 HA GLU 75 HA GLU 75 16.604 -2.848 -6.657 548 1HB GLU 75 1HB GLU 75 19.023 -1.422 -7.389 549 2HB GLU 75 2HB GLU 75 19.324 -2.354 -5.936 550 1HG GLU 75 1HG GLU 75 17.919 -4.202 -7.404 551 2HG GLU 75 2HG GLU 75 18.677 -3.298 -8.700 552 H LYS 76 H LYS 76 17.868 0.070 -4.941 553 HA LYS 76 HA LYS 76 18.276 -1.042 -2.465 554 1HB LYS 76 1HB LYS 76 18.498 1.112 -1.722 555 2HB LYS 76 2HB LYS 76 18.689 1.361 -3.445 556 1HG LYS 76 1HG LYS 76 16.372 2.081 -3.683 557 2HG LYS 76 2HG LYS 76 15.988 1.587 -2.047 558 1HD LYS 76 1HD LYS 76 16.427 3.742 -1.454 559 2HD LYS 76 2HD LYS 76 18.120 3.321 -1.625 560 1HE LYS 76 1HE LYS 76 17.986 3.982 -4.072 561 2HE LYS 76 2HE LYS 76 16.337 4.513 -3.803 562 1HZ LYS 76 1HZ LYS 76 17.039 6.222 -2.477 563 2HZ LYS 76 2HZ LYS 76 18.468 5.530 -2.095 564 3HZ LYS 76 3HZ LYS 76 18.244 6.175 -3.578 565 H GLU 77 H GLU 77 15.230 0.310 -3.882 566 HA GLU 77 HA GLU 77 13.772 -0.330 -1.543 567 1HB GLU 77 1HB GLU 77 11.796 0.348 -2.909 568 2HB GLU 77 2HB GLU 77 13.079 1.541 -2.951 569 1HG GLU 77 1HG GLU 77 12.336 1.290 -5.224 570 2HG GLU 77 2HG GLU 77 13.885 0.477 -5.132 571 H ILE 78 H ILE 78 14.318 -1.825 -4.767 572 HA ILE 78 HA ILE 78 12.373 -3.750 -4.733 573 HB ILE 78 HB ILE 78 15.031 -3.404 -5.976 574 1HG1 ILE 78 1HG1 ILE 78 12.241 -3.315 -6.702 575 2HG1 ILE 78 2HG1 ILE 78 13.641 -2.724 -7.575 576 1HG2 ILE 78 1HG2 ILE 78 15.279 -5.686 -5.215 577 2HG2 ILE 78 2HG2 ILE 78 13.676 -6.112 -5.861 578 3HG2 ILE 78 3HG2 ILE 78 14.993 -5.665 -6.972 579 1HD1 ILE 78 1HD1 ILE 78 12.345 -4.473 -8.840 580 2HD1 ILE 78 2HD1 ILE 78 14.042 -4.930 -8.561 581 3HD1 ILE 78 3HD1 ILE 78 12.753 -5.644 -7.564 582 H ASN 79 H ASN 79 15.226 -3.415 -2.704 583 HA ASN 79 HA ASN 79 15.148 -6.162 -1.918 584 1HB ASN 79 1HB ASN 79 16.853 -3.758 -1.366 585 2HB ASN 79 2HB ASN 79 16.748 -4.907 -0.047 586 1HD2 ASN 79 1HD2 ASN 79 18.269 -4.103 -2.904 587 2HD2 ASN 79 2HD2 ASN 79 19.082 -5.590 -3.261 588 H THR 80 H THR 80 14.349 -2.878 -0.615 589 HA THR 80 HA THR 80 13.391 -3.947 1.883 590 HB THR 80 HB THR 80 13.442 -1.183 0.572 591 HG1 THR 80 1HG THR 80 14.789 -2.643 2.731 592 1HG2 THR 80 1HG2 THR 80 12.394 -2.128 3.273 593 2HG2 THR 80 2HG2 THR 80 13.089 -0.501 3.079 594 3HG2 THR 80 3HG2 THR 80 11.648 -0.970 2.147 595 H LEU 81 H LEU 81 11.936 -2.531 -1.107 596 HA LEU 81 HA LEU 81 9.310 -2.628 -0.234 597 1HB LEU 81 1HB LEU 81 9.800 -1.366 -2.133 598 2HB LEU 81 2HB LEU 81 10.632 -2.689 -2.927 599 HG LEU 81 HG LEU 81 8.236 -1.927 -3.691 600 1HD1 LEU 81 1HD1 LEU 81 7.783 -4.493 -4.169 601 2HD1 LEU 81 2HD1 LEU 81 9.107 -3.609 -4.965 602 3HD1 LEU 81 3HD1 LEU 81 9.449 -4.653 -3.565 603 1HD2 LEU 81 1HD2 LEU 81 6.417 -2.609 -2.543 604 2HD2 LEU 81 2HD2 LEU 81 7.201 -4.097 -1.960 605 3HD2 LEU 81 3HD2 LEU 81 7.535 -2.543 -1.159 606 H ASN 82 H ASN 82 11.167 -5.072 -2.180 607 HA ASN 82 HA ASN 82 9.257 -6.922 -2.451 608 1HB ASN 82 1HB ASN 82 12.245 -7.037 -2.086 609 2HB ASN 82 2HB ASN 82 11.391 -8.562 -1.966 610 1HD2 ASN 82 1HD2 ASN 82 11.087 -5.607 -3.940 611 2HD2 ASN 82 2HD2 ASN 82 11.050 -6.381 -5.489 612 H ASP 83 H ASP 83 11.657 -6.690 0.290 613 HA ASP 83 HA ASP 83 10.627 -8.760 1.764 614 1HB ASP 83 1HB ASP 83 12.556 -6.635 2.083 615 2HB ASP 83 2HB ASP 83 11.578 -6.684 3.536 616 H TRP 84 H TRP 84 9.718 -5.309 1.458 617 HA TRP 84 HA TRP 84 8.146 -5.061 3.742 618 1HB TRP 84 1HB TRP 84 8.628 -3.593 1.271 619 2HB TRP 84 2HB TRP 84 6.966 -3.454 1.810 620 HD1 TRP 84 HD TRP 84 9.712 -1.337 2.062 621 HE1 TRP 84 1HE TRP 84 9.975 0.037 4.299 622 HE3 TRP 84 3HE TRP 84 6.644 -4.283 4.850 623 HZ2 TRP 84 2HZ TRP 84 8.896 -0.255 6.925 624 HZ3 TRP 84 3HZ TRP 84 6.303 -3.669 7.242 625 HH2 TRP 84 HH TRP 84 7.370 -1.733 8.285 626 H GLU 85 H GLU 85 7.551 -6.425 0.475 627 HA GLU 85 HA GLU 85 4.798 -6.627 0.719 628 1HB GLU 85 1HB GLU 85 5.116 -7.229 -1.431 629 2HB GLU 85 2HB GLU 85 6.838 -7.393 -1.151 630 1HG GLU 85 1HG GLU 85 5.118 -9.632 -0.138 631 2HG GLU 85 2HG GLU 85 5.234 -9.477 -1.880 632 H THR 86 H THR 86 7.482 -8.881 1.584 633 HA THR 86 HA THR 86 5.817 -11.030 2.325 634 HB THR 86 HB THR 86 8.625 -10.341 2.191 635 HG1 THR 86 1HG THR 86 7.284 -12.213 1.365 636 1HG2 THR 86 1HG2 THR 86 8.683 -10.205 4.648 637 2HG2 THR 86 2HG2 THR 86 7.676 -11.666 4.784 638 3HG2 THR 86 3HG2 THR 86 9.338 -11.786 4.159 639 H LYS 87 H LYS 87 6.871 -8.081 4.010 640 HA LYS 87 HA LYS 87 6.068 -9.036 6.570 641 1HB LYS 87 1HB LYS 87 6.559 -6.190 5.648 642 2HB LYS 87 2HB LYS 87 6.511 -6.763 7.303 643 1HG LYS 87 1HG LYS 87 8.577 -7.849 7.146 644 2HG LYS 87 2HG LYS 87 8.419 -8.143 5.426 645 1HD LYS 87 1HD LYS 87 9.697 -6.317 5.021 646 2HD LYS 87 2HD LYS 87 8.441 -5.308 5.711 647 1HE LYS 87 1HE LYS 87 9.593 -4.992 7.666 648 2HE LYS 87 2HE LYS 87 10.065 -6.677 7.774 649 1HZ LYS 87 1HZ LYS 87 11.775 -6.266 6.166 650 2HZ LYS 87 2HZ LYS 87 11.308 -4.712 5.975 651 3HZ LYS 87 3HZ LYS 87 11.936 -5.207 7.399 652 H PHE 88 H PHE 88 4.602 -7.025 3.962 653 HA PHE 88 HA PHE 88 2.244 -6.546 5.494 654 1HB PHE 88 1HB PHE 88 3.397 -6.043 2.749 655 2HB PHE 88 2HB PHE 88 1.646 -6.051 2.827 656 HD1 PHE 88 1HD PHE 88 3.968 -4.838 5.455 657 HD2 PHE 88 2HD PHE 88 1.164 -3.786 2.449 658 HE1 PHE 88 1HE PHE 88 3.993 -2.462 6.263 659 HE2 PHE 88 2HE PHE 88 1.189 -1.409 3.257 660 HZ PHE 88 HZ PHE 88 2.603 -0.776 5.155 661 H GLU 89 H GLU 89 3.308 -8.868 2.972 662 HA GLU 89 HA GLU 89 0.708 -9.864 2.540 663 1HB GLU 89 1HB GLU 89 3.484 -10.910 1.863 664 2HB GLU 89 2HB GLU 89 2.028 -11.779 1.421 665 1HG GLU 89 1HG GLU 89 2.010 -8.879 0.716 666 2HG GLU 89 2HG GLU 89 3.214 -9.830 -0.132 667 H ALA 90 H ALA 90 3.337 -10.529 4.826 668 HA ALA 90 HA ALA 90 1.965 -12.939 5.745 669 1HB ALA 90 1HB ALA 90 4.440 -12.938 5.282 670 2HB ALA 90 2HB ALA 90 4.636 -11.758 6.600 671 3HB ALA 90 3HB ALA 90 4.018 -13.390 6.951 672 H LYS 91 H LYS 91 0.956 -10.078 6.040 673 HA LYS 91 HA LYS 91 0.397 -10.307 8.862 674 1HB LYS 91 1HB LYS 91 1.813 -7.881 7.722 675 2HB LYS 91 2HB LYS 91 1.010 -7.911 9.279 676 1HG LYS 91 1HG LYS 91 2.480 -9.927 9.886 677 2HG LYS 91 2HG LYS 91 3.375 -9.631 8.408 678 1HD LYS 91 1HD LYS 91 3.671 -7.192 9.277 679 2HD LYS 91 2HD LYS 91 3.112 -7.798 10.824 680 1HE LYS 91 1HE LYS 91 5.195 -9.526 9.645 681 2HE LYS 91 2HE LYS 91 5.754 -7.880 9.869 682 1HZ LYS 91 1HZ LYS 91 4.285 -9.109 12.044 683 2HZ LYS 91 2HZ LYS 91 5.822 -9.601 11.792 684 3HZ LYS 91 3HZ LYS 91 5.508 -8.028 12.098 685 H TYR 92 H TYR 92 0.152 -7.825 6.214 686 HA TYR 92 HA TYR 92 -2.608 -7.394 6.875 687 1HB TYR 92 1HB TYR 92 -0.646 -6.510 4.671 688 2HB TYR 92 2HB TYR 92 -2.282 -5.888 4.760 689 HD1 TYR 92 1HD TYR 92 0.523 -4.451 4.985 690 HD2 TYR 92 2HD TYR 92 -2.413 -5.697 7.837 691 HE1 TYR 92 1HE TYR 92 1.295 -2.633 6.586 692 HE2 TYR 92 2HE TYR 92 -1.631 -3.875 9.428 693 HH TYR 92 HH TYR 92 1.200 -2.416 9.243 694 HA PRO 93 HA PRO 93 -4.152 -10.329 4.063 695 1HB PRO 93 1HB PRO 93 -6.806 -9.706 4.246 696 2HB PRO 93 2HB PRO 93 -5.984 -10.741 5.396 697 1HG PRO 93 1HG PRO 93 -6.853 -7.934 5.720 698 2HG PRO 93 2HG PRO 93 -6.428 -9.102 6.956 699 1HD PRO 93 1HD PRO 93 -4.808 -6.929 6.018 700 2HD PRO 93 2HD PRO 93 -4.340 -8.164 7.169 701 H VAL 94 H VAL 94 -4.701 -10.617 1.912 702 HA VAL 94 HA VAL 94 -4.623 -8.088 0.480 703 HB VAL 94 HB VAL 94 -4.494 -10.934 -0.532 704 1HG1 VAL 94 1HG1 VAL 94 -3.107 -9.161 -2.232 705 2HG1 VAL 94 2HG1 VAL 94 -4.640 -10.005 -2.555 706 3HG1 VAL 94 3HG1 VAL 94 -4.656 -8.369 -1.855 707 1HG2 VAL 94 1HG2 VAL 94 -2.263 -9.016 0.217 708 2HG2 VAL 94 2HG2 VAL 94 -2.644 -10.577 0.982 709 3HG2 VAL 94 3HG2 VAL 94 -2.036 -10.531 -0.690 710 H VAL 95 H VAL 95 -6.558 -7.093 0.204 711 HA VAL 95 HA VAL 95 -8.953 -8.703 0.070 712 HB VAL 95 HB VAL 95 -10.114 -6.700 0.355 713 1HG1 VAL 95 1HG1 VAL 95 -7.913 -7.303 2.038 714 2HG1 VAL 95 2HG1 VAL 95 -7.989 -5.530 1.905 715 3HG1 VAL 95 3HG1 VAL 95 -9.415 -6.443 2.456 716 1HG2 VAL 95 1HG2 VAL 95 -7.979 -5.568 -1.240 717 2HG2 VAL 95 2HG2 VAL 95 -9.610 -4.935 -0.915 718 3HG2 VAL 95 3HG2 VAL 95 -8.275 -4.572 0.205 719 H GLY 96 H GLY 96 -6.529 -7.879 -2.079 720 1HA GLY 96 1HA GLY 96 -7.559 -8.855 -4.341 721 2HA GLY 96 2HA GLY 96 -8.236 -7.239 -4.342 722 H ARG 97 H ARG 97 -6.772 -7.368 -6.434 723 HA ARG 97 HA ARG 97 -4.149 -6.393 -5.629 724 1HB ARG 97 1HB ARG 97 -3.130 -7.493 -7.460 725 2HB ARG 97 2HB ARG 97 -4.327 -8.664 -6.945 726 1HG ARG 97 1HG ARG 97 -4.808 -8.618 -9.217 727 2HG ARG 97 2HG ARG 97 -5.893 -7.352 -8.676 728 1HD ARG 97 1HD ARG 97 -4.841 -5.924 -10.096 729 2HD ARG 97 2HD ARG 97 -3.414 -6.036 -9.084 730 HE ARG 97 HE ARG 97 -3.359 -8.336 -10.700 731 1HH1 ARG 97 2HH2 ARG 97 -3.338 -4.854 -11.209 732 2HH1 ARG 97 1HH2 ARG 97 -2.439 -4.947 -12.686 733 1HH2 ARG 97 2HH1 ARG 97 -2.173 -8.459 -12.649 734 2HH2 ARG 97 1HH1 ARG 97 -1.772 -7.011 -13.511 735 H VAL 98 H VAL 98 -3.491 -4.405 -6.535 736 HA VAL 98 HA VAL 98 -5.440 -2.693 -7.504 737 HB VAL 98 HB VAL 98 -2.432 -2.667 -7.485 738 1HG1 VAL 98 1HG1 VAL 98 -2.929 -0.088 -7.973 739 2HG1 VAL 98 2HG1 VAL 98 -2.625 -1.260 -9.277 740 3HG1 VAL 98 3HG1 VAL 98 -4.294 -0.790 -8.874 741 1HG2 VAL 98 1HG2 VAL 98 -3.161 -0.591 -5.966 742 2HG2 VAL 98 2HG2 VAL 98 -4.640 -1.567 -5.803 743 3HG2 VAL 98 3HG2 VAL 98 -3.067 -2.250 -5.329 744 H VAL 99 H VAL 99 -6.313 -2.319 -9.490 745 HA VAL 99 HA VAL 99 -5.084 -3.783 -11.719 746 HB VAL 99 HB VAL 99 -7.565 -3.168 -12.583 747 1HG1 VAL 99 1HG1 VAL 99 -8.165 -5.469 -12.108 748 2HG1 VAL 99 2HG1 VAL 99 -6.446 -5.389 -12.561 749 3HG1 VAL 99 3HG1 VAL 99 -6.908 -5.575 -10.852 750 1HG2 VAL 99 1HG2 VAL 99 -9.190 -3.506 -10.800 751 2HG2 VAL 99 2HG2 VAL 99 -7.883 -3.635 -9.599 752 3HG2 VAL 99 3HG2 VAL 99 -8.172 -2.092 -10.438 753 H SER 100 H SER 100 -6.912 -0.745 -10.915 754 HA SER 100 HA SER 100 -6.891 1.233 -11.818 755 1HB SER 100 1HB SER 100 -4.540 1.081 -10.828 756 2HB SER 100 2HB SER 100 -3.950 0.730 -12.440 757 HG SER 100 HG SER 100 -5.279 2.846 -12.953 Start of MODEL 18 1 1H GLY -1 H GLY -1 -10.134 -14.877 -10.984 2 1HA GLY -1 1HA GLY -1 -8.016 -13.866 -9.436 3 2HA GLY -1 2HA GLY -1 -9.092 -12.951 -10.475 4 HA PRO 0 HA PRO 0 -10.046 -12.258 -5.958 5 1HB PRO 0 1HB PRO 0 -8.472 -10.118 -5.316 6 2HB PRO 0 2HB PRO 0 -8.052 -11.772 -4.915 7 1HG PRO 0 1HG PRO 0 -6.932 -10.037 -7.030 8 2HG PRO 0 2HG PRO 0 -6.260 -11.501 -6.340 9 1HD PRO 0 1HD PRO 0 -7.555 -11.241 -8.886 10 2HD PRO 0 2HD PRO 0 -6.986 -12.724 -8.146 11 H MET 1 H MET 1 -10.284 -9.638 -4.986 12 HA MET 1 HA MET 1 -12.497 -8.892 -6.575 13 1HB MET 1 1HB MET 1 -11.091 -7.859 -4.088 14 2HB MET 1 2HB MET 1 -12.263 -6.817 -4.869 15 1HG MET 1 1HG MET 1 -13.967 -8.681 -4.724 16 2HG MET 1 2HG MET 1 -12.793 -9.655 -3.861 17 1HE MET 1 1HE MET 1 -14.023 -9.969 -1.589 18 2HE MET 1 2HE MET 1 -12.292 -9.561 -1.502 19 3HE MET 1 3HE MET 1 -13.441 -8.815 -0.365 20 H GLU 2 H GLU 2 -9.112 -7.822 -6.223 21 HA GLU 2 HA GLU 2 -7.914 -6.329 -7.252 22 1HB GLU 2 1HB GLU 2 -9.801 -6.309 -9.615 23 2HB GLU 2 2HB GLU 2 -8.050 -6.247 -9.609 24 1HG GLU 2 1HG GLU 2 -8.055 -8.488 -9.968 25 2HG GLU 2 2HG GLU 2 -8.625 -8.683 -8.323 26 H PHE 3 H PHE 3 -7.879 -4.301 -6.381 27 HA PHE 3 HA PHE 3 -10.264 -2.646 -6.792 28 1HB PHE 3 1HB PHE 3 -7.972 -2.755 -4.755 29 2HB PHE 3 2HB PHE 3 -9.024 -1.357 -4.846 30 HD1 PHE 3 1HD PHE 3 -9.222 -5.069 -4.505 31 HD2 PHE 3 2HD PHE 3 -10.914 -1.304 -3.516 32 HE1 PHE 3 1HE PHE 3 -10.865 -6.206 -2.985 33 HE2 PHE 3 2HE PHE 3 -12.556 -2.441 -1.996 34 HZ PHE 3 HZ PHE 3 -12.512 -4.878 -1.749 35 H THR 4 H THR 4 -10.128 -0.833 -8.045 36 HA THR 4 HA THR 4 -7.603 -0.274 -9.319 37 HB THR 4 HB THR 4 -9.014 1.237 -10.681 38 HG1 THR 4 1HG THR 4 -11.198 1.588 -9.895 39 1HG2 THR 4 1HG2 THR 4 -11.173 -0.538 -10.718 40 2HG2 THR 4 2HG2 THR 4 -9.689 -0.720 -11.684 41 3HG2 THR 4 3HG2 THR 4 -9.842 -1.557 -10.120 42 H ALA 5 H ALA 5 -6.592 1.842 -9.398 43 HA ALA 5 HA ALA 5 -5.992 2.828 -6.916 44 1HB ALA 5 1HB ALA 5 -4.498 3.345 -8.640 45 2HB ALA 5 2HB ALA 5 -5.790 3.898 -9.732 46 3HB ALA 5 3HB ALA 5 -5.296 4.910 -8.353 47 H GLU 6 H GLU 6 -8.708 3.593 -9.085 48 HA GLU 6 HA GLU 6 -9.406 5.961 -7.728 49 1HB GLU 6 1HB GLU 6 -10.159 4.675 -10.105 50 2HB GLU 6 2HB GLU 6 -11.610 4.598 -9.125 51 1HG GLU 6 1HG GLU 6 -11.765 6.962 -8.928 52 2HG GLU 6 2HG GLU 6 -10.074 7.205 -9.318 53 H GLN 7 H GLN 7 -10.527 2.525 -7.620 54 HA GLN 7 HA GLN 7 -12.502 3.078 -5.690 55 1HB GLN 7 1HB GLN 7 -11.897 0.957 -7.382 56 2HB GLN 7 2HB GLN 7 -11.487 0.300 -5.810 57 1HG GLN 7 1HG GLN 7 -14.090 1.800 -6.060 58 2HG GLN 7 2HG GLN 7 -14.000 0.205 -6.782 59 1HE2 GLN 7 1HE2 GLN 7 -15.423 1.341 -4.406 60 2HE2 GLN 7 2HE2 GLN 7 -15.045 0.297 -3.077 61 H LEU 8 H LEU 8 -9.103 1.904 -5.622 62 HA LEU 8 HA LEU 8 -9.026 1.160 -2.946 63 1HB LEU 8 1HB LEU 8 -7.222 0.402 -4.067 64 2HB LEU 8 2HB LEU 8 -7.093 1.828 -5.077 65 HG LEU 8 HG LEU 8 -5.152 1.537 -3.600 66 1HD1 LEU 8 1HD1 LEU 8 -6.393 3.978 -2.462 67 2HD1 LEU 8 2HD1 LEU 8 -4.849 3.758 -3.319 68 3HD1 LEU 8 3HD1 LEU 8 -6.372 3.849 -4.237 69 1HD2 LEU 8 1HD2 LEU 8 -5.230 1.569 -1.264 70 2HD2 LEU 8 2HD2 LEU 8 -6.905 2.173 -1.231 71 3HD2 LEU 8 3HD2 LEU 8 -6.572 0.497 -1.731 72 H SER 9 H SER 9 -8.541 4.345 -4.560 73 HA SER 9 HA SER 9 -7.660 5.700 -2.342 74 1HB SER 9 1HB SER 9 -8.265 7.722 -3.546 75 2HB SER 9 2HB SER 9 -7.662 6.553 -4.703 76 HG SER 9 HG SER 9 -10.291 6.095 -4.564 77 H GLN 10 H GLN 10 -10.713 4.228 -2.952 78 HA GLN 10 HA GLN 10 -12.333 6.073 -1.588 79 1HB GLN 10 1HB GLN 10 -12.870 3.099 -1.952 80 2HB GLN 10 2HB GLN 10 -14.054 4.372 -1.737 81 1HG GLN 10 1HG GLN 10 -12.123 4.458 -4.080 82 2HG GLN 10 2HG GLN 10 -13.569 3.471 -4.163 83 1HE2 GLN 10 1HE2 GLN 10 -15.526 4.773 -3.055 84 2HE2 GLN 10 2HE2 GLN 10 -15.824 6.325 -3.764 85 H TYR 11 H TYR 11 -9.893 3.920 -0.541 86 HA TYR 11 HA TYR 11 -10.935 4.084 2.198 87 1HB TYR 11 1HB TYR 11 -9.348 1.778 0.922 88 2HB TYR 11 2HB TYR 11 -10.128 1.753 2.492 89 HD1 TYR 11 1HD TYR 11 -10.712 1.655 -1.160 90 HD2 TYR 11 2HD TYR 11 -12.481 1.267 2.716 91 HE1 TYR 11 1HE TYR 11 -12.798 0.646 -2.205 92 HE2 TYR 11 2HE TYR 11 -14.562 0.260 1.658 93 HH TYR 11 HH TYR 11 -15.532 -0.357 -0.163 94 H ASN 12 H ASN 12 -9.292 6.068 1.319 95 HA ASN 12 HA ASN 12 -6.588 5.233 1.850 96 1HB ASN 12 1HB ASN 12 -6.002 7.565 1.204 97 2HB ASN 12 2HB ASN 12 -7.033 6.835 -0.011 98 1HD2 ASN 12 1HD2 ASN 12 -6.984 8.934 2.825 99 2HD2 ASN 12 2HD2 ASN 12 -8.378 9.887 2.436 100 H GLY 13 H GLY 13 -8.863 5.314 3.921 101 1HA GLY 13 1HA GLY 13 -8.979 5.753 6.132 102 2HA GLY 13 2HA GLY 13 -7.389 6.486 6.058 103 H THR 14 H THR 14 -10.785 7.054 6.317 104 HA THR 14 HA THR 14 -10.566 9.692 7.024 105 HB THR 14 HB THR 14 -10.187 9.363 4.199 106 HG1 THR 14 1HG THR 14 -10.980 11.650 5.861 107 1HG2 THR 14 1HG2 THR 14 -11.990 10.794 3.315 108 2HG2 THR 14 2HG2 THR 14 -12.721 9.339 4.035 109 3HG2 THR 14 3HG2 THR 14 -12.748 10.881 4.924 110 H ASP 15 H ASP 15 -12.462 7.125 5.439 111 HA ASP 15 HA ASP 15 -14.909 8.300 6.299 112 1HB ASP 15 1HB ASP 15 -14.078 5.740 4.917 113 2HB ASP 15 2HB ASP 15 -15.685 5.833 5.609 114 H GLU 16 H GLU 16 -16.428 6.234 7.343 115 HA GLU 16 HA GLU 16 -15.023 5.696 9.820 116 1HB GLU 16 1HB GLU 16 -17.922 5.965 9.033 117 2HB GLU 16 2HB GLU 16 -17.530 5.000 10.443 118 1HG GLU 16 1HG GLU 16 -16.065 7.057 11.176 119 2HG GLU 16 2HG GLU 16 -16.976 7.951 9.975 120 H SER 17 H SER 17 -17.754 3.895 8.280 121 HA SER 17 HA SER 17 -16.830 1.449 9.112 122 1HB SER 17 1HB SER 17 -19.130 2.340 7.995 123 2HB SER 17 2HB SER 17 -18.428 1.596 6.572 124 HG SER 17 HG SER 17 -19.416 0.406 8.934 125 H LYS 18 H LYS 18 -16.340 3.250 6.025 126 HA LYS 18 HA LYS 18 -15.206 1.296 4.495 127 1HB LYS 18 1HB LYS 18 -15.314 4.194 4.538 128 2HB LYS 18 2HB LYS 18 -13.751 3.648 3.965 129 1HG LYS 18 1HG LYS 18 -15.413 3.867 2.108 130 2HG LYS 18 2HG LYS 18 -14.799 2.232 2.256 131 1HD LYS 18 1HD LYS 18 -16.917 1.916 3.861 132 2HD LYS 18 2HD LYS 18 -17.529 3.307 2.988 133 1HE LYS 18 1HE LYS 18 -16.347 1.078 1.346 134 2HE LYS 18 2HE LYS 18 -17.891 0.766 2.113 135 1HZ LYS 18 1HZ LYS 18 -18.805 1.927 0.503 136 2HZ LYS 18 2HZ LYS 18 -18.049 3.281 1.016 137 3HZ LYS 18 3HZ LYS 18 -17.356 2.342 -0.126 138 HA PRO 19 HA PRO 19 -11.641 0.317 6.798 139 1HB PRO 19 1HB PRO 19 -10.720 -1.693 5.191 140 2HB PRO 19 2HB PRO 19 -11.928 -1.939 6.437 141 1HG PRO 19 1HG PRO 19 -12.289 -1.809 3.506 142 2HG PRO 19 2HG PRO 19 -13.373 -2.463 4.717 143 1HD PRO 19 1HD PRO 19 -13.629 0.053 3.364 144 2HD PRO 19 2HD PRO 19 -14.647 -0.550 4.656 145 H ILE 20 H ILE 20 -9.196 -0.478 5.928 146 HA ILE 20 HA ILE 20 -8.480 1.733 4.132 147 HB ILE 20 HB ILE 20 -7.037 0.836 6.629 148 1HG1 ILE 20 1HG1 ILE 20 -7.836 3.651 6.347 149 2HG1 ILE 20 2HG1 ILE 20 -9.193 2.545 6.419 150 1HG2 ILE 20 1HG2 ILE 20 -6.052 2.123 4.247 151 2HG2 ILE 20 2HG2 ILE 20 -5.934 3.229 5.637 152 3HG2 ILE 20 3HG2 ILE 20 -5.176 1.621 5.713 153 1HD1 ILE 20 1HD1 ILE 20 -8.873 2.172 8.632 154 2HD1 ILE 20 2HD1 ILE 20 -7.153 1.790 8.376 155 3HD1 ILE 20 3HD1 ILE 20 -7.666 3.480 8.598 156 H TYR 21 H TYR 21 -7.283 1.149 2.381 157 HA TYR 21 HA TYR 21 -6.032 -1.510 2.481 158 1HB TYR 21 1HB TYR 21 -7.573 -0.053 0.243 159 2HB TYR 21 2HB TYR 21 -6.771 -1.596 0.023 160 HD1 TYR 21 1HD TYR 21 -9.735 -0.958 -0.444 161 HD2 TYR 21 2HD TYR 21 -7.642 -2.580 2.916 162 HE1 TYR 21 1HE TYR 21 -11.846 -2.164 0.298 163 HE2 TYR 21 2HE TYR 21 -9.760 -3.781 3.647 164 HH TYR 21 HH TYR 21 -11.893 -4.022 3.317 165 H VAL 22 H VAL 22 -3.949 -1.629 1.711 166 HA VAL 22 HA VAL 22 -2.897 0.860 0.556 167 HB VAL 22 HB VAL 22 -1.384 -1.249 2.100 168 1HG1 VAL 22 1HG1 VAL 22 -0.090 0.207 0.533 169 2HG1 VAL 22 2HG1 VAL 22 -0.647 1.624 1.455 170 3HG1 VAL 22 3HG1 VAL 22 0.376 0.397 2.240 171 1HG2 VAL 22 1HG2 VAL 22 -2.145 1.423 3.260 172 2HG2 VAL 22 2HG2 VAL 22 -3.272 0.048 3.353 173 3HG2 VAL 22 3HG2 VAL 22 -1.656 -0.075 4.088 174 H ALA 23 H ALA 23 -1.360 0.668 -1.189 175 HA ALA 23 HA ALA 23 -1.665 -1.884 -2.611 176 1HB ALA 23 1HB ALA 23 -2.667 -0.001 -3.778 177 2HB ALA 23 2HB ALA 23 -1.176 0.954 -3.597 178 3HB ALA 23 3HB ALA 23 -1.188 -0.488 -4.640 179 H ILE 24 H ILE 24 0.138 -3.078 -3.105 180 HA ILE 24 HA ILE 24 2.726 -1.782 -2.990 181 HB ILE 24 HB ILE 24 1.928 -4.027 -1.138 182 1HG1 ILE 24 1HG1 ILE 24 3.007 -1.250 -0.569 183 2HG1 ILE 24 2HG1 ILE 24 1.335 -1.744 -0.391 184 1HG2 ILE 24 1HG2 ILE 24 4.676 -2.950 -1.009 185 2HG2 ILE 24 2HG2 ILE 24 4.074 -4.612 -0.804 186 3HG2 ILE 24 3HG2 ILE 24 4.307 -3.945 -2.438 187 1HD1 ILE 24 1HD1 ILE 24 3.743 -2.575 1.235 188 2HD1 ILE 24 2HD1 ILE 24 2.142 -2.032 1.791 189 3HD1 ILE 24 3HD1 ILE 24 2.344 -3.670 1.127 190 H LYS 25 H LYS 25 3.678 -2.343 -4.865 191 HA LYS 25 HA LYS 25 4.386 -3.565 -6.564 192 1HB LYS 25 1HB LYS 25 3.638 -5.850 -4.730 193 2HB LYS 25 2HB LYS 25 4.320 -6.113 -6.323 194 1HG LYS 25 1HG LYS 25 5.659 -4.256 -4.317 195 2HG LYS 25 2HG LYS 25 5.962 -5.982 -4.301 196 1HD LYS 25 1HD LYS 25 6.441 -4.097 -6.657 197 2HD LYS 25 2HD LYS 25 7.678 -4.818 -5.648 198 1HE LYS 25 1HE LYS 25 7.717 -6.375 -7.356 199 2HE LYS 25 2HE LYS 25 6.436 -7.099 -6.403 200 1HZ LYS 25 1HZ LYS 25 5.289 -5.168 -8.012 201 2HZ LYS 25 2HZ LYS 25 6.278 -6.049 -8.968 202 3HZ LYS 25 3HZ LYS 25 5.104 -6.787 -8.106 203 H GLY 26 H GLY 26 1.383 -2.807 -5.903 204 1HA GLY 26 1HA GLY 26 -0.263 -2.595 -7.536 205 2HA GLY 26 2HA GLY 26 0.357 -4.004 -8.372 206 H ARG 27 H ARG 27 0.216 -4.416 -4.928 207 HA ARG 27 HA ARG 27 -2.257 -5.908 -5.296 208 1HB ARG 27 1HB ARG 27 0.004 -7.119 -4.712 209 2HB ARG 27 2HB ARG 27 -0.211 -6.453 -3.106 210 1HG ARG 27 1HG ARG 27 -2.503 -7.523 -3.014 211 2HG ARG 27 2HG ARG 27 -2.192 -8.257 -4.575 212 1HD ARG 27 1HD ARG 27 -0.126 -8.673 -2.419 213 2HD ARG 27 2HD ARG 27 -1.644 -9.533 -2.254 214 HE ARG 27 HE ARG 27 0.449 -10.136 -4.139 215 1HH1 ARG 27 2HH2 ARG 27 -3.058 -10.071 -3.857 216 2HH1 ARG 27 1HH2 ARG 27 -3.305 -11.295 -5.057 217 1HH2 ARG 27 2HH1 ARG 27 0.123 -11.752 -5.722 218 2HH2 ARG 27 1HH1 ARG 27 -1.483 -12.258 -6.125 219 H VAL 28 H VAL 28 -3.974 -5.492 -3.868 220 HA VAL 28 HA VAL 28 -3.600 -3.221 -2.110 221 HB VAL 28 HB VAL 28 -5.992 -4.778 -3.092 222 1HG1 VAL 28 1HG1 VAL 28 -6.870 -2.393 -1.866 223 2HG1 VAL 28 2HG1 VAL 28 -7.165 -4.065 -1.333 224 3HG1 VAL 28 3HG1 VAL 28 -5.764 -3.165 -0.705 225 1HG2 VAL 28 1HG2 VAL 28 -5.651 -3.394 -4.837 226 2HG2 VAL 28 2HG2 VAL 28 -6.353 -2.148 -3.778 227 3HG2 VAL 28 3HG2 VAL 28 -4.585 -2.316 -3.904 228 H PHE 29 H PHE 29 -3.166 -3.420 0.022 229 HA PHE 29 HA PHE 29 -3.798 -6.015 1.243 230 1HB PHE 29 1HB PHE 29 -1.603 -3.907 1.651 231 2HB PHE 29 2HB PHE 29 -1.882 -5.167 2.836 232 HD1 PHE 29 1HD PHE 29 -0.027 -4.284 0.008 233 HD2 PHE 29 2HD PHE 29 -1.906 -7.625 1.829 234 HE1 PHE 29 1HE PHE 29 1.470 -5.830 -1.284 235 HE2 PHE 29 2HE PHE 29 -0.409 -9.171 0.537 236 HZ PHE 29 HZ PHE 29 1.261 -8.255 -1.004 237 H ASP 30 H ASP 30 -4.556 -6.012 3.460 238 HA ASP 30 HA ASP 30 -6.045 -3.606 4.007 239 1HB ASP 30 1HB ASP 30 -7.478 -5.408 4.316 240 2HB ASP 30 2HB ASP 30 -6.186 -6.492 4.791 241 H VAL 31 H VAL 31 -5.441 -2.195 5.679 242 HA VAL 31 HA VAL 31 -3.529 -3.223 7.653 243 HB VAL 31 HB VAL 31 -2.337 -1.100 7.548 244 1HG1 VAL 31 1HG1 VAL 31 -2.076 -3.199 5.839 245 2HG1 VAL 31 2HG1 VAL 31 -2.277 -1.859 4.685 246 3HG1 VAL 31 3HG1 VAL 31 -0.969 -1.807 5.890 247 1HG2 VAL 31 1HG2 VAL 31 -2.761 0.429 5.587 248 2HG2 VAL 31 2HG2 VAL 31 -4.280 -0.456 5.309 249 3HG2 VAL 31 3HG2 VAL 31 -4.033 0.432 6.832 250 H THR 32 H THR 32 -6.609 -2.308 7.150 251 HA THR 32 HA THR 32 -7.156 -0.185 8.810 252 HB THR 32 HB THR 32 -9.088 -0.877 7.761 253 HG1 THR 32 1HG THR 32 -10.215 -1.579 9.533 254 1HG2 THR 32 1HG2 THR 32 -9.542 -3.475 7.550 255 2HG2 THR 32 2HG2 THR 32 -8.351 -2.728 6.458 256 3HG2 THR 32 3HG2 THR 32 -7.802 -3.630 7.891 257 H THR 33 H THR 33 -5.907 -3.339 9.648 258 HA THR 33 HA THR 33 -6.863 -3.609 12.232 259 HB THR 33 HB THR 33 -4.990 -5.148 12.466 260 HG1 THR 33 1HG THR 33 -3.361 -3.573 11.785 261 1HG2 THR 33 1HG2 THR 33 -5.651 -6.502 10.748 262 2HG2 THR 33 2HG2 THR 33 -6.554 -5.126 10.072 263 3HG2 THR 33 3HG2 THR 33 -4.875 -5.424 9.564 264 H GLY 34 H GLY 34 -5.095 -1.008 10.959 265 1HA GLY 34 1HA GLY 34 -4.577 -0.046 13.671 266 2HA GLY 34 2HA GLY 34 -3.205 -0.174 12.588 267 H LYS 35 H LYS 35 -6.671 0.857 12.158 268 HA LYS 35 HA LYS 35 -6.207 2.722 10.214 269 1HB LYS 35 1HB LYS 35 -8.411 3.101 10.394 270 2HB LYS 35 2HB LYS 35 -8.389 1.772 11.535 271 1HG LYS 35 1HG LYS 35 -8.030 3.414 13.410 272 2HG LYS 35 2HG LYS 35 -8.113 4.729 12.254 273 1HD LYS 35 1HD LYS 35 -10.437 3.716 11.577 274 2HD LYS 35 2HD LYS 35 -10.327 2.814 13.075 275 1HE LYS 35 1HE LYS 35 -10.961 4.633 14.274 276 2HE LYS 35 2HE LYS 35 -9.636 5.575 13.621 277 1HZ LYS 35 1HZ LYS 35 -10.937 6.303 11.885 278 2HZ LYS 35 2HZ LYS 35 -12.035 5.102 12.024 279 3HZ LYS 35 3HZ LYS 35 -11.997 6.305 13.127 280 H SER 36 H SER 36 -5.400 2.828 13.627 281 HA SER 36 HA SER 36 -5.323 5.611 13.864 282 1HB SER 36 1HB SER 36 -4.381 3.250 15.420 283 2HB SER 36 2HB SER 36 -3.479 4.724 15.707 284 HG SER 36 HG SER 36 -6.286 5.035 15.664 285 H PHE 37 H PHE 37 -3.356 3.342 12.155 286 HA PHE 37 HA PHE 37 -1.096 5.206 12.157 287 1HB PHE 37 1HB PHE 37 -1.407 2.286 11.235 288 2HB PHE 37 2HB PHE 37 0.108 3.165 11.254 289 HD1 PHE 37 1HD PHE 37 -2.594 1.927 13.485 290 HD2 PHE 37 2HD PHE 37 1.457 3.152 13.164 291 HE1 PHE 37 1HE PHE 37 -2.173 1.150 15.834 292 HE2 PHE 37 2HE PHE 37 1.878 2.375 15.513 293 HZ PHE 37 HZ PHE 37 0.058 1.384 16.820 294 H TYR 38 H TYR 38 -3.552 3.554 10.166 295 HA TYR 38 HA TYR 38 -2.421 4.848 7.786 296 1HB TYR 38 1HB TYR 38 -4.034 2.391 8.509 297 2HB TYR 38 2HB TYR 38 -4.470 3.148 6.990 298 HD1 TYR 38 1HD TYR 38 -2.290 0.836 8.567 299 HD2 TYR 38 2HD TYR 38 -2.492 3.617 5.322 300 HE1 TYR 38 1HE TYR 38 -0.369 -0.363 7.410 301 HE2 TYR 38 2HE TYR 38 -0.571 2.408 4.176 302 HH TYR 38 HH TYR 38 0.920 0.851 4.331 303 H GLY 39 H GLY 39 -5.402 4.408 9.762 304 1HA GLY 39 1HA GLY 39 -7.309 5.614 8.268 305 2HA GLY 39 2HA GLY 39 -7.177 5.783 10.007 306 H SER 40 H SER 40 -8.295 7.899 8.732 307 HA SER 40 HA SER 40 -7.008 9.790 7.502 308 1HB SER 40 1HB SER 40 -9.304 9.948 8.547 309 2HB SER 40 2HB SER 40 -8.547 10.329 10.080 310 HG SER 40 HG SER 40 -9.021 11.968 7.895 311 H GLY 41 H GLY 41 -5.339 11.309 7.803 312 1HA GLY 41 1HA GLY 41 -3.300 11.900 8.611 313 2HA GLY 41 2HA GLY 41 -4.258 12.370 10.001 314 H GLY 42 H GLY 42 -3.191 9.179 8.605 315 1HA GLY 42 1HA GLY 42 -2.374 8.385 11.325 316 2HA GLY 42 2HA GLY 42 -2.830 7.306 10.022 317 H ASP 43 H ASP 43 -0.449 6.813 11.337 318 HA ASP 43 HA ASP 43 1.809 7.994 10.713 319 1HB ASP 43 1HB ASP 43 0.980 5.139 10.958 320 2HB ASP 43 2HB ASP 43 2.521 5.378 10.159 321 H TYR 44 H TYR 44 0.173 5.514 8.591 322 HA TYR 44 HA TYR 44 1.868 6.313 6.366 323 1HB TYR 44 1HB TYR 44 -0.439 4.317 6.327 324 2HB TYR 44 2HB TYR 44 1.087 4.210 5.472 325 HD1 TYR 44 1HD TYR 44 3.230 3.971 7.042 326 HD2 TYR 44 2HD TYR 44 -0.767 2.971 8.196 327 HE1 TYR 44 1HE TYR 44 4.131 2.434 8.856 328 HE2 TYR 44 2HE TYR 44 0.147 1.438 10.006 329 HH TYR 44 HH TYR 44 1.903 0.594 10.929 330 H SER 45 H SER 45 0.026 8.333 7.312 331 HA SER 45 HA SER 45 -2.391 8.365 6.084 332 1HB SER 45 1HB SER 45 -2.172 10.872 6.156 333 2HB SER 45 2HB SER 45 -1.756 10.087 7.666 334 HG SER 45 HG SER 45 -0.249 11.817 6.807 335 H MET 46 H MET 46 0.818 8.563 4.678 336 HA MET 46 HA MET 46 -0.132 9.770 2.259 337 1HB MET 46 1HB MET 46 2.309 9.254 1.553 338 2HB MET 46 2HB MET 46 2.128 10.333 2.921 339 1HG MET 46 1HG MET 46 2.257 7.416 3.592 340 2HG MET 46 2HG MET 46 3.731 8.107 2.944 341 1HE MET 46 1HE MET 46 4.377 11.133 5.174 342 2HE MET 46 2HE MET 46 4.007 10.695 3.489 343 3HE MET 46 3HE MET 46 2.740 11.393 4.525 344 H PHE 47 H PHE 47 0.586 6.537 3.563 345 HA PHE 47 HA PHE 47 0.571 5.281 0.996 346 1HB PHE 47 1HB PHE 47 0.199 4.205 3.857 347 2HB PHE 47 2HB PHE 47 0.635 3.230 2.467 348 HD1 PHE 47 1HD PHE 47 2.393 6.029 1.780 349 HD2 PHE 47 2HD PHE 47 2.328 2.938 4.687 350 HE1 PHE 47 1HE PHE 47 4.823 6.430 2.261 351 HE2 PHE 47 2HE PHE 47 4.759 3.339 5.168 352 HZ PHE 47 HZ PHE 47 5.977 5.081 3.949 353 H ALA 48 H ALA 48 -1.776 5.951 3.615 354 HA ALA 48 HA ALA 48 -3.758 4.197 3.118 355 1HB ALA 48 1HB ALA 48 -5.210 5.780 4.125 356 2HB ALA 48 2HB ALA 48 -3.600 6.162 4.782 357 3HB ALA 48 3HB ALA 48 -4.290 7.160 3.479 358 H GLY 49 H GLY 49 -4.632 3.492 1.239 359 1HA GLY 49 1HA GLY 49 -5.536 3.507 -0.817 360 2HA GLY 49 2HA GLY 49 -6.017 5.165 -0.516 361 H LYS 50 H LYS 50 -2.649 3.868 -0.579 362 HA LYS 50 HA LYS 50 -2.185 4.920 -3.206 363 1HB LYS 50 1HB LYS 50 -0.926 6.289 -0.810 364 2HB LYS 50 2HB LYS 50 -0.440 6.530 -2.475 365 1HG LYS 50 1HG LYS 50 -2.854 7.207 -2.991 366 2HG LYS 50 2HG LYS 50 -3.176 7.149 -1.270 367 1HD LYS 50 1HD LYS 50 -2.630 9.406 -1.519 368 2HD LYS 50 2HD LYS 50 -1.063 8.747 -1.093 369 1HE LYS 50 1HE LYS 50 -1.503 8.544 -3.982 370 2HE LYS 50 2HE LYS 50 -1.729 10.196 -3.444 371 1HZ LYS 50 1HZ LYS 50 0.554 8.831 -2.348 372 2HZ LYS 50 2HZ LYS 50 0.627 9.152 -3.948 373 3HZ LYS 50 3HZ LYS 50 0.415 10.369 -2.879 374 H ASP 51 H ASP 51 -0.312 4.028 -4.139 375 HA ASP 51 HA ASP 51 0.640 1.750 -2.716 376 1HB ASP 51 1HB ASP 51 0.156 1.605 -5.128 377 2HB ASP 51 2HB ASP 51 1.283 2.904 -5.468 378 H ALA 52 H ALA 52 2.159 2.298 -1.101 379 HA ALA 52 HA ALA 52 4.153 4.326 -1.729 380 1HB ALA 52 1HB ALA 52 4.602 3.371 0.852 381 2HB ALA 52 2HB ALA 52 3.656 4.815 0.417 382 3HB ALA 52 3HB ALA 52 2.836 3.255 0.664 383 H SER 53 H SER 53 4.745 2.482 -3.468 384 HA SER 53 HA SER 53 6.178 0.303 -2.393 385 1HB SER 53 1HB SER 53 5.858 1.500 -5.160 386 2HB SER 53 2HB SER 53 7.024 0.221 -4.885 387 HG SER 53 HG SER 53 4.949 -0.617 -5.560 388 H ARG 54 H ARG 54 7.120 3.371 -4.108 389 HA ARG 54 HA ARG 54 9.849 2.913 -3.765 390 1HB ARG 54 1HB ARG 54 8.717 5.711 -4.026 391 2HB ARG 54 2HB ARG 54 10.140 5.030 -4.788 392 1HG ARG 54 1HG ARG 54 7.984 3.431 -5.714 393 2HG ARG 54 2HG ARG 54 7.373 5.073 -5.748 394 1HD ARG 54 1HD ARG 54 9.972 5.337 -6.786 395 2HD ARG 54 2HD ARG 54 9.430 3.808 -7.449 396 HE ARG 54 HE ARG 54 7.708 4.929 -8.648 397 1HH1 ARG 54 2HH2 ARG 54 9.441 7.147 -6.537 398 2HH1 ARG 54 1HH2 ARG 54 8.785 8.568 -7.279 399 1HH2 ARG 54 2HH1 ARG 54 6.843 6.803 -9.628 400 2HH2 ARG 54 1HH1 ARG 54 7.297 8.371 -9.049 401 H ALA 55 H ALA 55 7.318 4.597 -1.865 402 HA ALA 55 HA ALA 55 9.092 5.921 -0.110 403 1HB ALA 55 1HB ALA 55 6.380 5.158 0.843 404 2HB ALA 55 2HB ALA 55 7.166 6.754 0.783 405 3HB ALA 55 3HB ALA 55 6.433 6.067 -0.686 406 H LEU 56 H LEU 56 7.509 2.701 -0.174 407 HA LEU 56 HA LEU 56 8.280 2.045 2.478 408 1HB LEU 56 1HB LEU 56 7.187 0.527 0.129 409 2HB LEU 56 2HB LEU 56 7.734 -0.315 1.565 410 HG LEU 56 HG LEU 56 5.692 1.904 1.713 411 1HD1 LEU 56 1HD1 LEU 56 5.156 -0.157 0.142 412 2HD1 LEU 56 2HD1 LEU 56 4.815 -0.951 1.699 413 3HD1 LEU 56 3HD1 LEU 56 3.933 0.526 1.240 414 1HD2 LEU 56 1HD2 LEU 56 7.062 0.373 3.650 415 2HD2 LEU 56 2HD2 LEU 56 5.717 1.514 3.895 416 3HD2 LEU 56 3HD2 LEU 56 5.381 -0.214 3.630 417 H GLY 57 H GLY 57 9.592 1.351 -0.819 418 1HA GLY 57 1HA GLY 57 11.640 -0.356 -0.174 419 2HA GLY 57 2HA GLY 57 11.677 0.817 -1.476 420 H LYS 58 H LYS 58 12.256 3.152 -0.843 421 HA LYS 58 HA LYS 58 14.695 3.104 0.548 422 1HB LYS 58 1HB LYS 58 13.032 5.519 -0.220 423 2HB LYS 58 2HB LYS 58 14.753 5.482 0.108 424 1HG LYS 58 1HG LYS 58 15.272 4.505 -1.931 425 2HG LYS 58 2HG LYS 58 13.792 3.570 -1.988 426 1HD LYS 58 1HD LYS 58 12.988 6.308 -2.106 427 2HD LYS 58 2HD LYS 58 14.363 6.166 -3.185 428 1HE LYS 58 1HE LYS 58 12.820 3.852 -3.710 429 2HE LYS 58 2HE LYS 58 11.634 5.126 -3.510 430 1HZ LYS 58 1HZ LYS 58 12.573 6.337 -5.220 431 2HZ LYS 58 2HZ LYS 58 13.993 5.533 -5.188 432 3HZ LYS 58 3HZ LYS 58 12.656 4.805 -5.779 433 H MET 59 H MET 59 11.381 3.352 1.581 434 HA MET 59 HA MET 59 10.485 3.523 3.556 435 1HB MET 59 1HB MET 59 13.359 3.513 4.637 436 2HB MET 59 2HB MET 59 11.924 3.234 5.603 437 1HG MET 59 1HG MET 59 11.495 1.124 4.605 438 2HG MET 59 2HG MET 59 12.424 1.499 3.167 439 1HE MET 59 1HE MET 59 12.437 -0.940 5.652 440 2HE MET 59 2HE MET 59 13.816 -0.724 6.757 441 3HE MET 59 3HE MET 59 12.427 0.385 6.841 442 H SER 60 H SER 60 10.570 5.857 2.192 443 HA SER 60 HA SER 60 11.611 7.813 4.073 444 1HB SER 60 1HB SER 60 12.010 7.741 1.416 445 2HB SER 60 2HB SER 60 10.475 8.586 1.393 446 HG SER 60 HG SER 60 12.344 10.029 1.494 447 H LYS 61 H LYS 61 8.682 6.520 2.513 448 HA LYS 61 HA LYS 61 6.541 6.739 3.027 449 1HB LYS 61 1HB LYS 61 7.393 8.466 5.369 450 2HB LYS 61 2HB LYS 61 5.830 7.706 5.143 451 1HG LYS 61 1HG LYS 61 6.629 5.867 6.199 452 2HG LYS 61 2HG LYS 61 7.695 5.596 4.835 453 1HD LYS 61 1HD LYS 61 9.548 6.398 5.942 454 2HD LYS 61 2HD LYS 61 8.653 7.684 6.729 455 1HE LYS 61 1HE LYS 61 9.042 6.361 8.589 456 2HE LYS 61 2HE LYS 61 7.546 5.617 8.060 457 1HZ LYS 61 1HZ LYS 61 9.393 4.322 6.619 458 2HZ LYS 61 2HZ LYS 61 10.190 4.561 8.024 459 3HZ LYS 61 3HZ LYS 61 8.757 3.778 8.021 460 H ASN 62 H ASN 62 8.537 8.988 1.781 461 HA ASN 62 HA ASN 62 7.212 11.369 1.935 462 1HB ASN 62 1HB ASN 62 9.453 11.045 0.869 463 2HB ASN 62 2HB ASN 62 8.711 10.159 -0.449 464 1HD2 ASN 62 1HD2 ASN 62 7.661 13.080 1.281 465 2HD2 ASN 62 2HD2 ASN 62 7.617 14.146 -0.084 466 H GLU 63 H GLU 63 5.406 12.256 0.802 467 HA GLU 63 HA GLU 63 3.548 10.455 -0.196 468 1HB GLU 63 1HB GLU 63 3.378 12.957 0.759 469 2HB GLU 63 2HB GLU 63 3.414 13.371 -0.943 470 1HG GLU 63 1HG GLU 63 1.597 11.224 -0.826 471 2HG GLU 63 2HG GLU 63 1.253 12.131 0.633 472 H GLU 64 H GLU 64 6.344 11.870 -1.642 473 HA GLU 64 HA GLU 64 5.242 11.702 -4.300 474 1HB GLU 64 1HB GLU 64 8.154 12.263 -3.796 475 2HB GLU 64 2HB GLU 64 7.084 12.949 -5.002 476 1HG GLU 64 1HG GLU 64 6.221 13.568 -2.243 477 2HG GLU 64 2HG GLU 64 7.833 14.161 -2.590 478 H ASP 65 H ASP 65 7.064 9.804 -1.998 479 HA ASP 65 HA ASP 65 8.340 8.209 -3.972 480 1HB ASP 65 1HB ASP 65 7.941 7.944 -0.963 481 2HB ASP 65 2HB ASP 65 8.764 6.709 -1.895 482 H VAL 66 H VAL 66 5.164 8.597 -3.240 483 HA VAL 66 HA VAL 66 4.467 5.787 -2.992 484 HB VAL 66 HB VAL 66 2.564 8.102 -3.237 485 1HG1 VAL 66 1HG1 VAL 66 1.427 6.038 -3.264 486 2HG1 VAL 66 2HG1 VAL 66 2.477 5.341 -2.007 487 3HG1 VAL 66 3HG1 VAL 66 1.296 6.602 -1.581 488 1HG2 VAL 66 1HG2 VAL 66 2.696 7.985 -0.606 489 2HG2 VAL 66 2HG2 VAL 66 4.349 7.406 -0.927 490 3HG2 VAL 66 3HG2 VAL 66 3.831 8.999 -1.530 491 H SER 67 H SER 67 4.918 4.780 -4.944 492 HA SER 67 HA SER 67 3.497 5.930 -7.217 493 1HB SER 67 1HB SER 67 5.271 5.482 -8.661 494 2HB SER 67 2HB SER 67 6.135 5.922 -7.201 495 HG SER 67 HG SER 67 5.564 3.238 -8.129 496 HA PRO 68 HA PRO 68 1.571 1.992 -7.022 497 1HB PRO 68 1HB PRO 68 -0.250 2.369 -9.024 498 2HB PRO 68 2HB PRO 68 -0.516 2.899 -7.375 499 1HG PRO 68 1HG PRO 68 0.174 4.515 -9.753 500 2HG PRO 68 2HG PRO 68 -0.502 5.043 -8.225 501 1HD PRO 68 1HD PRO 68 2.218 5.327 -9.087 502 2HD PRO 68 2HD PRO 68 1.567 5.750 -7.516 503 H SER 69 H SER 69 3.830 2.953 -9.046 504 HA SER 69 HA SER 69 3.776 0.366 -10.331 505 1HB SER 69 1HB SER 69 3.695 1.120 -12.491 506 2HB SER 69 2HB SER 69 2.867 2.485 -11.767 507 HG SER 69 HG SER 69 4.461 3.724 -12.450 508 H LEU 70 H LEU 70 5.682 -0.520 -9.616 509 HA LEU 70 HA LEU 70 7.743 0.664 -8.419 510 1HB LEU 70 1HB LEU 70 8.079 -1.563 -10.428 511 2HB LEU 70 2HB LEU 70 9.102 -1.214 -9.048 512 HG LEU 70 HG LEU 70 6.294 -2.327 -9.053 513 1HD1 LEU 70 1HD1 LEU 70 8.816 -3.530 -9.061 514 2HD1 LEU 70 2HD1 LEU 70 8.254 -3.649 -7.376 515 3HD1 LEU 70 3HD1 LEU 70 7.252 -4.299 -8.696 516 1HD2 LEU 70 1HD2 LEU 70 6.136 -2.111 -6.700 517 2HD2 LEU 70 2HD2 LEU 70 7.815 -1.537 -6.563 518 3HD2 LEU 70 3HD2 LEU 70 6.581 -0.505 -7.325 519 H GLU 71 H GLU 71 7.368 0.325 -12.004 520 HA GLU 71 HA GLU 71 9.245 1.014 -13.334 521 1HB GLU 71 1HB GLU 71 6.981 3.011 -12.970 522 2HB GLU 71 2HB GLU 71 8.185 3.201 -14.230 523 1HG GLU 71 1HG GLU 71 7.625 0.840 -15.019 524 2HG GLU 71 2HG GLU 71 6.314 0.817 -13.855 525 H GLY 72 H GLY 72 11.131 1.266 -11.934 526 1HA GLY 72 1HA GLY 72 12.733 3.185 -11.919 527 2HA GLY 72 2HA GLY 72 11.521 4.042 -10.987 528 H LEU 73 H LEU 73 10.605 1.654 -9.464 529 HA LEU 73 HA LEU 73 12.171 1.881 -7.240 530 1HB LEU 73 1HB LEU 73 9.947 0.333 -8.128 531 2HB LEU 73 2HB LEU 73 11.063 -0.742 -7.310 532 HG LEU 73 HG LEU 73 10.804 1.626 -5.724 533 1HD1 LEU 73 1HD1 LEU 73 8.704 2.044 -6.902 534 2HD1 LEU 73 2HD1 LEU 73 8.142 0.402 -6.503 535 3HD1 LEU 73 3HD1 LEU 73 8.413 1.591 -5.205 536 1HD2 LEU 73 1HD2 LEU 73 10.025 0.051 -4.028 537 2HD2 LEU 73 2HD2 LEU 73 9.798 -1.198 -5.275 538 3HD2 LEU 73 3HD2 LEU 73 11.431 -0.595 -4.907 539 H THR 74 H THR 74 14.319 1.548 -7.044 540 HA THR 74 HA THR 74 15.625 -0.389 -8.737 541 HB THR 74 HB THR 74 16.606 1.856 -8.237 542 HG1 THR 74 1HG THR 74 18.578 0.801 -8.112 543 1HG2 THR 74 1HG2 THR 74 16.413 2.618 -6.078 544 2HG2 THR 74 2HG2 THR 74 16.052 0.989 -5.459 545 3HG2 THR 74 3HG2 THR 74 17.742 1.496 -5.700 546 H GLU 75 H GLU 75 17.629 -1.418 -7.129 547 HA GLU 75 HA GLU 75 16.232 -3.566 -6.000 548 1HB GLU 75 1HB GLU 75 18.988 -2.858 -6.630 549 2HB GLU 75 2HB GLU 75 18.912 -3.621 -5.054 550 1HG GLU 75 1HG GLU 75 17.184 -5.202 -6.588 551 2HG GLU 75 2HG GLU 75 18.446 -4.790 -7.732 552 H LYS 76 H LYS 76 17.905 -0.673 -4.667 553 HA LYS 76 HA LYS 76 17.958 -1.367 -2.012 554 1HB LYS 76 1HB LYS 76 18.582 0.784 -1.667 555 2HB LYS 76 2HB LYS 76 18.759 0.763 -3.410 556 1HG LYS 76 1HG LYS 76 16.612 1.826 -3.743 557 2HG LYS 76 2HG LYS 76 16.137 1.559 -2.078 558 1HD LYS 76 1HD LYS 76 16.987 3.588 -1.538 559 2HD LYS 76 2HD LYS 76 18.589 3.000 -1.939 560 1HE LYS 76 1HE LYS 76 16.848 3.811 -4.250 561 2HE LYS 76 2HE LYS 76 17.422 5.104 -3.215 562 1HZ LYS 76 1HZ LYS 76 18.942 3.309 -4.898 563 2HZ LYS 76 2HZ LYS 76 19.155 4.904 -4.619 564 3HZ LYS 76 3HZ LYS 76 19.652 3.808 -3.515 565 H GLU 77 H GLU 77 15.304 0.297 -3.847 566 HA GLU 77 HA GLU 77 13.611 0.202 -1.582 567 1HB GLU 77 1HB GLU 77 11.872 0.820 -3.497 568 2HB GLU 77 2HB GLU 77 13.052 1.992 -2.945 569 1HG GLU 77 1HG GLU 77 14.188 0.283 -5.041 570 2HG GLU 77 2HG GLU 77 12.706 1.040 -5.592 571 H ILE 78 H ILE 78 13.959 -1.657 -4.656 572 HA ILE 78 HA ILE 78 11.691 -3.207 -4.452 573 HB ILE 78 HB ILE 78 14.392 -3.593 -5.691 574 1HG1 ILE 78 1HG1 ILE 78 12.109 -2.225 -6.456 575 2HG1 ILE 78 2HG1 ILE 78 13.449 -2.679 -7.490 576 1HG2 ILE 78 1HG2 ILE 78 13.655 -5.666 -6.724 577 2HG2 ILE 78 2HG2 ILE 78 13.665 -5.824 -4.951 578 3HG2 ILE 78 3HG2 ILE 78 12.126 -5.602 -5.816 579 1HD1 ILE 78 1HD1 ILE 78 12.324 -4.845 -8.010 580 2HD1 ILE 78 2HD1 ILE 78 10.959 -4.370 -6.972 581 3HD1 ILE 78 3HD1 ILE 78 11.311 -3.452 -8.456 582 H ASN 79 H ASN 79 14.976 -3.716 -3.026 583 HA ASN 79 HA ASN 79 14.609 -6.178 -1.998 584 1HB ASN 79 1HB ASN 79 16.244 -3.786 -1.303 585 2HB ASN 79 2HB ASN 79 15.999 -4.876 0.047 586 1HD2 ASN 79 1HD2 ASN 79 18.192 -4.134 -2.058 587 2HD2 ASN 79 2HD2 ASN 79 18.891 -5.660 -2.482 588 H THR 80 H THR 80 13.901 -2.968 -0.418 589 HA THR 80 HA THR 80 12.570 -4.241 1.795 590 HB THR 80 HB THR 80 12.945 -1.329 0.916 591 HG1 THR 80 1HG THR 80 14.893 -2.444 1.547 592 1HG2 THR 80 1HG2 THR 80 11.514 -2.599 3.226 593 2HG2 THR 80 2HG2 THR 80 12.662 -1.306 3.646 594 3HG2 THR 80 3HG2 THR 80 11.315 -0.972 2.531 595 H LEU 81 H LEU 81 11.600 -2.307 -1.097 596 HA LEU 81 HA LEU 81 8.897 -2.207 -0.497 597 1HB LEU 81 1HB LEU 81 9.770 -0.791 -2.157 598 2HB LEU 81 2HB LEU 81 10.464 -2.122 -3.062 599 HG LEU 81 HG LEU 81 8.334 -0.950 -3.950 600 1HD1 LEU 81 1HD1 LEU 81 9.419 -3.078 -4.786 601 2HD1 LEU 81 2HD1 LEU 81 8.229 -3.967 -3.806 602 3HD1 LEU 81 3HD1 LEU 81 7.680 -2.899 -5.120 603 1HD2 LEU 81 1HD2 LEU 81 6.241 -1.556 -3.122 604 2HD2 LEU 81 2HD2 LEU 81 6.897 -2.910 -2.171 605 3HD2 LEU 81 3HD2 LEU 81 7.198 -1.233 -1.656 606 H ASN 82 H ASN 82 10.676 -4.573 -2.609 607 HA ASN 82 HA ASN 82 8.529 -6.149 -3.160 608 1HB ASN 82 1HB ASN 82 11.020 -6.248 -4.002 609 2HB ASN 82 2HB ASN 82 11.307 -7.293 -2.624 610 1HD2 ASN 82 1HD2 ASN 82 10.387 -7.133 -5.817 611 2HD2 ASN 82 2HD2 ASN 82 9.684 -8.702 -6.027 612 H ASP 83 H ASP 83 10.988 -6.410 -0.487 613 HA ASP 83 HA ASP 83 9.908 -8.673 0.669 614 1HB ASP 83 1HB ASP 83 12.105 -8.043 1.336 615 2HB ASP 83 2HB ASP 83 11.633 -6.387 1.661 616 H TRP 84 H TRP 84 9.143 -5.193 0.869 617 HA TRP 84 HA TRP 84 7.708 -5.161 3.249 618 1HB TRP 84 1HB TRP 84 8.037 -3.451 0.891 619 2HB TRP 84 2HB TRP 84 6.462 -3.304 1.645 620 HD1 TRP 84 HD TRP 84 9.568 -1.560 1.821 621 HE1 TRP 84 1HE TRP 84 10.087 -0.375 4.122 622 HE3 TRP 84 3HE TRP 84 6.134 -4.153 4.531 623 HZ2 TRP 84 2HZ TRP 84 9.026 -0.649 6.757 624 HZ3 TRP 84 3HZ TRP 84 5.939 -3.633 6.961 625 HH2 TRP 84 HH TRP 84 7.315 -1.949 8.077 626 H GLU 85 H GLU 85 6.807 -5.995 -0.144 627 HA GLU 85 HA GLU 85 4.089 -6.224 0.326 628 1HB GLU 85 1HB GLU 85 4.543 -6.180 -1.936 629 2HB GLU 85 2HB GLU 85 6.016 -7.116 -1.776 630 1HG GLU 85 1HG GLU 85 3.295 -8.393 -1.307 631 2HG GLU 85 2HG GLU 85 3.950 -8.239 -2.925 632 H THR 86 H THR 86 6.782 -8.626 0.515 633 HA THR 86 HA THR 86 5.122 -10.837 1.078 634 HB THR 86 HB THR 86 8.027 -10.119 1.056 635 HG1 THR 86 1HG THR 86 6.903 -11.246 -0.670 636 1HG2 THR 86 1HG2 THR 86 8.247 -12.647 1.998 637 2HG2 THR 86 2HG2 THR 86 8.358 -11.241 3.084 638 3HG2 THR 86 3HG2 THR 86 6.829 -12.142 2.948 639 H LYS 87 H LYS 87 6.547 -8.269 3.096 640 HA LYS 87 HA LYS 87 5.963 -9.632 5.530 641 1HB LYS 87 1HB LYS 87 6.670 -6.736 4.972 642 2HB LYS 87 2HB LYS 87 6.584 -7.466 6.562 643 1HG LYS 87 1HG LYS 87 8.469 -8.851 6.182 644 2HG LYS 87 2HG LYS 87 8.316 -8.756 4.439 645 1HD LYS 87 1HD LYS 87 10.234 -7.393 5.432 646 2HD LYS 87 2HD LYS 87 9.158 -6.501 4.375 647 1HE LYS 87 1HE LYS 87 7.886 -5.702 6.417 648 2HE LYS 87 2HE LYS 87 9.064 -6.513 7.430 649 1HZ LYS 87 1HZ LYS 87 9.534 -4.156 7.031 650 2HZ LYS 87 2HZ LYS 87 10.761 -5.127 6.562 651 3HZ LYS 87 3HZ LYS 87 9.770 -4.467 5.445 652 H PHE 88 H PHE 88 4.387 -7.110 3.500 653 HA PHE 88 HA PHE 88 2.284 -6.691 5.358 654 1HB PHE 88 1HB PHE 88 3.162 -5.915 2.598 655 2HB PHE 88 2HB PHE 88 1.420 -5.928 2.791 656 HD1 PHE 88 1HD PHE 88 0.838 -3.674 2.790 657 HD2 PHE 88 2HD PHE 88 4.015 -4.976 5.283 658 HE1 PHE 88 1HE PHE 88 0.938 -1.401 3.850 659 HE2 PHE 88 2HE PHE 88 4.115 -2.703 6.343 660 HZ PHE 88 HZ PHE 88 2.575 -0.943 5.614 661 H GLU 89 H GLU 89 2.713 -8.659 2.360 662 HA GLU 89 HA GLU 89 0.024 -9.487 2.338 663 1HB GLU 89 1HB GLU 89 0.605 -10.725 0.434 664 2HB GLU 89 2HB GLU 89 1.794 -9.438 0.410 665 1HG GLU 89 1HG GLU 89 3.348 -11.102 0.284 666 2HG GLU 89 2HG GLU 89 3.064 -11.321 2.000 667 H ALA 90 H ALA 90 2.810 -10.371 4.204 668 HA ALA 90 HA ALA 90 1.781 -13.036 4.761 669 1HB ALA 90 1HB ALA 90 3.900 -13.200 6.100 670 2HB ALA 90 2HB ALA 90 4.171 -12.826 4.381 671 3HB ALA 90 3HB ALA 90 4.294 -11.537 5.603 672 H LYS 91 H LYS 91 1.357 -9.813 5.801 673 HA LYS 91 HA LYS 91 0.467 -10.782 8.429 674 1HB LYS 91 1HB LYS 91 2.079 -8.401 7.660 675 2HB LYS 91 2HB LYS 91 0.853 -8.153 8.887 676 1HG LYS 91 1HG LYS 91 2.197 -10.636 9.483 677 2HG LYS 91 2HG LYS 91 3.427 -9.431 9.161 678 1HD LYS 91 1HD LYS 91 1.770 -7.942 10.735 679 2HD LYS 91 2HD LYS 91 1.396 -9.533 11.368 680 1HE LYS 91 1HE LYS 91 3.729 -9.956 11.925 681 2HE LYS 91 2HE LYS 91 4.262 -8.539 11.042 682 1HZ LYS 91 1HZ LYS 91 3.163 -8.715 13.661 683 2HZ LYS 91 2HZ LYS 91 4.099 -7.550 13.002 684 3HZ LYS 91 3HZ LYS 91 2.482 -7.529 12.769 685 H TYR 92 H TYR 92 0.012 -7.831 6.358 686 HA TYR 92 HA TYR 92 -2.679 -7.553 7.114 687 1HB TYR 92 1HB TYR 92 -0.871 -6.612 4.814 688 2HB TYR 92 2HB TYR 92 -2.529 -6.057 4.931 689 HD1 TYR 92 1HD TYR 92 -2.783 -5.685 7.892 690 HD2 TYR 92 2HD TYR 92 0.391 -4.671 5.209 691 HE1 TYR 92 1HE TYR 92 -2.045 -3.823 9.458 692 HE2 TYR 92 2HE TYR 92 1.118 -2.812 6.784 693 HH TYR 92 HH TYR 92 0.468 -2.638 9.785 694 HA PRO 93 HA PRO 93 -4.577 -10.345 4.393 695 1HB PRO 93 1HB PRO 93 -7.165 -9.490 4.601 696 2HB PRO 93 2HB PRO 93 -6.407 -10.547 5.776 697 1HG PRO 93 1HG PRO 93 -7.028 -7.666 6.004 698 2HG PRO 93 2HG PRO 93 -6.675 -8.817 7.278 699 1HD PRO 93 1HD PRO 93 -4.898 -6.829 6.222 700 2HD PRO 93 2HD PRO 93 -4.511 -8.055 7.413 701 H VAL 94 H VAL 94 -4.937 -10.646 2.248 702 HA VAL 94 HA VAL 94 -4.878 -8.154 0.752 703 HB VAL 94 HB VAL 94 -4.648 -11.021 -0.181 704 1HG1 VAL 94 1HG1 VAL 94 -5.201 -8.889 -1.730 705 2HG1 VAL 94 2HG1 VAL 94 -3.426 -8.757 -1.679 706 3HG1 VAL 94 3HG1 VAL 94 -4.191 -10.250 -2.273 707 1HG2 VAL 94 1HG2 VAL 94 -2.443 -9.039 0.479 708 2HG2 VAL 94 2HG2 VAL 94 -2.877 -10.474 1.437 709 3HG2 VAL 94 3HG2 VAL 94 -2.224 -10.667 -0.207 710 H VAL 95 H VAL 95 -6.812 -7.214 0.338 711 HA VAL 95 HA VAL 95 -9.153 -8.920 0.127 712 HB VAL 95 HB VAL 95 -10.388 -6.837 0.211 713 1HG1 VAL 95 1HG1 VAL 95 -8.381 -7.574 2.254 714 2HG1 VAL 95 2HG1 VAL 95 -9.065 -5.940 2.422 715 3HG1 VAL 95 3HG1 VAL 95 -10.142 -7.357 2.395 716 1HG2 VAL 95 1HG2 VAL 95 -8.326 -5.637 -1.021 717 2HG2 VAL 95 2HG2 VAL 95 -9.528 -4.742 -0.060 718 3HG2 VAL 95 3HG2 VAL 95 -7.956 -5.171 0.656 719 H GLY 96 H GLY 96 -6.699 -7.696 -1.880 720 1HA GLY 96 1HA GLY 96 -7.668 -8.685 -4.234 721 2HA GLY 96 2HA GLY 96 -8.293 -7.048 -4.176 722 H ARG 97 H ARG 97 -6.656 -7.389 -6.233 723 HA ARG 97 HA ARG 97 -4.117 -6.330 -5.277 724 1HB ARG 97 1HB ARG 97 -2.940 -7.652 -6.777 725 2HB ARG 97 2HB ARG 97 -4.332 -8.696 -6.575 726 1HG ARG 97 1HG ARG 97 -4.140 -6.570 -8.758 727 2HG ARG 97 2HG ARG 97 -3.656 -8.237 -8.998 728 1HD ARG 97 1HD ARG 97 -6.246 -8.373 -7.822 729 2HD ARG 97 2HD ARG 97 -6.345 -7.084 -9.005 730 HE ARG 97 HE ARG 97 -6.124 -8.668 -10.714 731 1HH1 ARG 97 2HH2 ARG 97 -5.058 -10.096 -7.679 732 2HH1 ARG 97 1HH2 ARG 97 -4.877 -11.685 -8.343 733 1HH2 ARG 97 2HH1 ARG 97 -5.886 -10.765 -11.590 734 2HH2 ARG 97 1HH1 ARG 97 -5.352 -12.069 -10.582 735 H VAL 98 H VAL 98 -3.485 -4.343 -6.154 736 HA VAL 98 HA VAL 98 -5.300 -2.710 -7.377 737 HB VAL 98 HB VAL 98 -2.283 -2.711 -7.356 738 1HG1 VAL 98 1HG1 VAL 98 -4.145 -0.501 -8.292 739 2HG1 VAL 98 2HG1 VAL 98 -2.392 -0.337 -8.031 740 3HG1 VAL 98 3HG1 VAL 98 -3.005 -1.423 -9.301 741 1HG2 VAL 98 1HG2 VAL 98 -3.043 -2.411 -5.164 742 2HG2 VAL 98 2HG2 VAL 98 -2.797 -0.748 -5.747 743 3HG2 VAL 98 3HG2 VAL 98 -4.439 -1.432 -5.676 744 H VAL 99 H VAL 99 -5.677 -1.998 -9.535 745 HA VAL 99 HA VAL 99 -4.479 -3.702 -11.598 746 HB VAL 99 HB VAL 99 -6.940 -3.328 -12.599 747 1HG1 VAL 99 1HG1 VAL 99 -5.549 -5.456 -12.175 748 2HG1 VAL 99 2HG1 VAL 99 -6.467 -5.591 -10.655 749 3HG1 VAL 99 3HG1 VAL 99 -7.322 -5.614 -12.216 750 1HG2 VAL 99 1HG2 VAL 99 -7.659 -2.165 -10.482 751 2HG2 VAL 99 2HG2 VAL 99 -8.660 -3.561 -10.949 752 3HG2 VAL 99 3HG2 VAL 99 -7.466 -3.720 -9.638 753 H SER 100 H SER 100 -6.399 -0.727 -10.825 754 HA SER 100 HA SER 100 -6.506 1.217 -11.803 755 1HB SER 100 1HB SER 100 -4.008 0.960 -10.897 756 2HB SER 100 2HB SER 100 -3.599 1.052 -12.599 757 HG SER 100 HG SER 100 -5.372 3.020 -12.181 Start of MODEL 19 1 1H GLY -1 H GLY -1 -8.150 -15.222 -9.960 2 1HA GLY -1 1HA GLY -1 -8.646 -12.913 -10.037 3 2HA GLY -1 2HA GLY -1 -10.173 -13.749 -10.244 4 HA PRO 0 HA PRO 0 -9.885 -11.890 -5.862 5 1HB PRO 0 1HB PRO 0 -8.287 -9.690 -5.590 6 2HB PRO 0 2HB PRO 0 -7.784 -11.302 -5.124 7 1HG PRO 0 1HG PRO 0 -6.982 -9.722 -7.490 8 2HG PRO 0 2HG PRO 0 -6.195 -11.121 -6.785 9 1HD PRO 0 1HD PRO 0 -7.811 -11.072 -9.155 10 2HD PRO 0 2HD PRO 0 -7.121 -12.487 -8.386 11 H MET 1 H MET 1 -10.062 -9.213 -5.059 12 HA MET 1 HA MET 1 -12.446 -8.605 -6.478 13 1HB MET 1 1HB MET 1 -10.878 -7.210 -4.242 14 2HB MET 1 2HB MET 1 -12.407 -6.599 -4.841 15 1HG MET 1 1HG MET 1 -13.252 -9.088 -4.363 16 2HG MET 1 2HG MET 1 -11.860 -9.147 -3.299 17 1HE MET 1 1HE MET 1 -15.702 -7.113 -3.257 18 2HE MET 1 2HE MET 1 -14.640 -5.703 -3.485 19 3HE MET 1 3HE MET 1 -14.551 -7.076 -4.615 20 H GLU 2 H GLU 2 -9.063 -7.572 -6.535 21 HA GLU 2 HA GLU 2 -7.986 -6.031 -7.637 22 1HB GLU 2 1HB GLU 2 -10.145 -6.668 -9.691 23 2HB GLU 2 2HB GLU 2 -8.731 -5.702 -10.061 24 1HG GLU 2 1HG GLU 2 -7.323 -7.517 -10.070 25 2HG GLU 2 2HG GLU 2 -8.097 -8.255 -8.681 26 H PHE 3 H PHE 3 -8.107 -4.084 -6.533 27 HA PHE 3 HA PHE 3 -10.458 -2.426 -7.087 28 1HB PHE 3 1HB PHE 3 -8.301 -2.521 -4.900 29 2HB PHE 3 2HB PHE 3 -9.439 -1.193 -5.013 30 HD1 PHE 3 1HD PHE 3 -11.898 -1.671 -4.735 31 HD2 PHE 3 2HD PHE 3 -8.914 -4.566 -3.883 32 HE1 PHE 3 1HE PHE 3 -13.550 -2.971 -3.364 33 HE2 PHE 3 2HE PHE 3 -10.566 -5.866 -2.512 34 HZ PHE 3 HZ PHE 3 -12.865 -5.053 -2.269 35 H THR 4 H THR 4 -10.247 -0.455 -8.109 36 HA THR 4 HA THR 4 -7.684 0.095 -9.310 37 HB THR 4 HB THR 4 -9.173 2.013 -10.302 38 HG1 THR 4 1HG THR 4 -10.988 2.067 -9.003 39 1HG2 THR 4 1HG2 THR 4 -10.557 -0.620 -10.775 40 2HG2 THR 4 2HG2 THR 4 -9.984 0.581 -11.958 41 3HG2 THR 4 3HG2 THR 4 -8.828 -0.533 -11.189 42 H ALA 5 H ALA 5 -6.511 2.083 -9.152 43 HA ALA 5 HA ALA 5 -6.020 2.879 -6.569 44 1HB ALA 5 1HB ALA 5 -5.599 4.758 -8.887 45 2HB ALA 5 2HB ALA 5 -4.512 4.368 -7.533 46 3HB ALA 5 3HB ALA 5 -4.740 3.199 -8.855 47 H GLU 6 H GLU 6 -8.485 3.964 -8.886 48 HA GLU 6 HA GLU 6 -9.064 6.369 -7.590 49 1HB GLU 6 1HB GLU 6 -10.418 4.619 -9.627 50 2HB GLU 6 2HB GLU 6 -11.395 5.840 -8.837 51 1HG GLU 6 1HG GLU 6 -10.069 7.631 -9.665 52 2HG GLU 6 2HG GLU 6 -8.689 6.597 -9.975 53 H GLN 7 H GLN 7 -10.500 3.048 -7.399 54 HA GLN 7 HA GLN 7 -12.372 3.861 -5.440 55 1HB GLN 7 1HB GLN 7 -11.601 1.321 -6.816 56 2HB GLN 7 2HB GLN 7 -12.341 1.135 -5.239 57 1HG GLN 7 1HG GLN 7 -14.024 1.143 -7.101 58 2HG GLN 7 2HG GLN 7 -14.309 2.415 -5.929 59 1HE2 GLN 7 1HE2 GLN 7 -13.621 1.615 -9.168 60 2HE2 GLN 7 2HE2 GLN 7 -13.503 3.208 -9.838 61 H LEU 8 H LEU 8 -9.199 2.145 -5.455 62 HA LEU 8 HA LEU 8 -9.184 1.457 -2.756 63 1HB LEU 8 1HB LEU 8 -7.670 0.365 -4.132 64 2HB LEU 8 2HB LEU 8 -7.094 1.849 -4.865 65 HG LEU 8 HG LEU 8 -6.393 2.188 -2.212 66 1HD1 LEU 8 1HD1 LEU 8 -6.873 -0.599 -2.569 67 2HD1 LEU 8 2HD1 LEU 8 -5.118 -0.352 -2.406 68 3HD1 LEU 8 3HD1 LEU 8 -6.222 0.252 -1.147 69 1HD2 LEU 8 1HD2 LEU 8 -4.072 1.574 -3.049 70 2HD2 LEU 8 2HD2 LEU 8 -4.845 1.187 -4.605 71 3HD2 LEU 8 3HD2 LEU 8 -4.940 2.840 -3.950 72 H SER 9 H SER 9 -8.372 4.482 -4.484 73 HA SER 9 HA SER 9 -7.119 5.688 -2.305 74 1HB SER 9 1HB SER 9 -6.734 6.599 -4.488 75 2HB SER 9 2HB SER 9 -8.448 6.752 -4.820 76 HG SER 9 HG SER 9 -7.375 8.175 -2.584 77 H GLN 10 H GLN 10 -10.332 4.703 -2.742 78 HA GLN 10 HA GLN 10 -11.511 6.940 -1.399 79 1HB GLN 10 1HB GLN 10 -12.854 4.273 -1.952 80 2HB GLN 10 2HB GLN 10 -13.608 5.845 -1.776 81 1HG GLN 10 1HG GLN 10 -11.694 5.103 -4.039 82 2HG GLN 10 2HG GLN 10 -13.440 5.061 -4.174 83 1HE2 GLN 10 1HE2 GLN 10 -14.482 7.168 -3.214 84 2HE2 GLN 10 2HE2 GLN 10 -13.845 8.654 -3.834 85 H TYR 11 H TYR 11 -10.131 3.786 -0.638 86 HA TYR 11 HA TYR 11 -11.217 3.965 2.083 87 1HB TYR 11 1HB TYR 11 -9.627 1.697 0.770 88 2HB TYR 11 2HB TYR 11 -10.763 1.561 2.098 89 HD1 TYR 11 1HD TYR 11 -10.794 -0.187 -0.349 90 HD2 TYR 11 2HD TYR 11 -12.790 3.503 0.492 91 HE1 TYR 11 1HE TYR 11 -12.639 -0.804 -1.986 92 HE2 TYR 11 2HE TYR 11 -14.628 2.874 -1.148 93 HH TYR 11 HH TYR 11 -15.491 0.359 -2.005 94 H ASN 12 H ASN 12 -9.363 5.893 1.769 95 HA ASN 12 HA ASN 12 -6.776 4.790 2.320 96 1HB ASN 12 1HB ASN 12 -5.966 6.930 1.852 97 2HB ASN 12 2HB ASN 12 -7.492 7.031 0.997 98 1HD2 ASN 12 1HD2 ASN 12 -9.401 7.649 2.456 99 2HD2 ASN 12 2HD2 ASN 12 -9.161 8.997 3.517 100 H GLY 13 H GLY 13 -9.393 4.770 4.137 101 1HA GLY 13 1HA GLY 13 -9.801 4.760 6.349 102 2HA GLY 13 2HA GLY 13 -8.079 4.924 6.628 103 H THR 14 H THR 14 -11.158 6.656 6.180 104 HA THR 14 HA THR 14 -10.390 8.761 7.855 105 HB THR 14 HB THR 14 -9.128 9.053 5.443 106 HG1 THR 14 1HG THR 14 -10.529 11.095 7.022 107 1HG2 THR 14 1HG2 THR 14 -11.727 10.665 5.262 108 2HG2 THR 14 2HG2 THR 14 -10.347 10.757 4.142 109 3HG2 THR 14 3HG2 THR 14 -11.338 9.280 4.214 110 H ASP 15 H ASP 15 -12.426 7.654 5.111 111 HA ASP 15 HA ASP 15 -14.550 9.343 5.732 112 1HB ASP 15 1HB ASP 15 -13.927 7.465 3.751 113 2HB ASP 15 2HB ASP 15 -15.277 6.713 4.578 114 H GLU 16 H GLU 16 -16.720 7.285 5.743 115 HA GLU 16 HA GLU 16 -16.450 6.506 8.528 116 1HB GLU 16 1HB GLU 16 -18.708 7.369 6.788 117 2HB GLU 16 2HB GLU 16 -19.096 6.076 7.905 118 1HG GLU 16 1HG GLU 16 -19.291 7.619 9.553 119 2HG GLU 16 2HG GLU 16 -17.568 7.913 9.433 120 H SER 17 H SER 17 -17.961 5.252 5.458 121 HA SER 17 HA SER 17 -17.810 2.600 6.504 122 1HB SER 17 1HB SER 17 -18.880 3.866 3.974 123 2HB SER 17 2HB SER 17 -18.653 2.130 4.032 124 HG SER 17 HG SER 17 -20.034 3.393 6.197 125 H LYS 18 H LYS 18 -16.336 4.525 3.808 126 HA LYS 18 HA LYS 18 -14.875 2.708 2.511 127 1HB LYS 18 1HB LYS 18 -14.265 5.536 3.335 128 2HB LYS 18 2HB LYS 18 -13.075 4.610 2.443 129 1HG LYS 18 1HG LYS 18 -14.263 5.550 0.672 130 2HG LYS 18 2HG LYS 18 -15.132 4.039 0.851 131 1HD LYS 18 1HD LYS 18 -16.215 6.067 2.666 132 2HD LYS 18 2HD LYS 18 -16.208 6.660 1.017 133 1HE LYS 18 1HE LYS 18 -17.173 4.166 0.541 134 2HE LYS 18 2HE LYS 18 -17.716 4.341 2.198 135 1HZ LYS 18 1HZ LYS 18 -19.402 5.260 0.979 136 2HZ LYS 18 2HZ LYS 18 -18.555 6.595 1.387 137 3HZ LYS 18 3HZ LYS 18 -18.418 5.969 -0.115 138 HA PRO 19 HA PRO 19 -12.452 0.887 5.650 139 1HB PRO 19 1HB PRO 19 -11.372 -1.112 4.131 140 2HB PRO 19 2HB PRO 19 -12.934 -1.241 4.916 141 1HG PRO 19 1HG PRO 19 -12.327 -0.800 2.056 142 2HG PRO 19 2HG PRO 19 -13.821 -1.348 2.789 143 1HD PRO 19 1HD PRO 19 -13.268 1.278 1.778 144 2HD PRO 19 2HD PRO 19 -14.718 0.762 2.614 145 H ILE 20 H ILE 20 -9.991 -0.318 5.327 146 HA ILE 20 HA ILE 20 -8.443 1.935 4.253 147 HB ILE 20 HB ILE 20 -7.696 0.349 6.703 148 1HG1 ILE 20 1HG1 ILE 20 -8.496 3.064 7.279 149 2HG1 ILE 20 2HG1 ILE 20 -9.816 2.210 6.505 150 1HG2 ILE 20 1HG2 ILE 20 -6.514 2.842 6.814 151 2HG2 ILE 20 2HG2 ILE 20 -5.733 1.327 6.302 152 3HG2 ILE 20 3HG2 ILE 20 -6.427 2.425 5.086 153 1HD1 ILE 20 1HD1 ILE 20 -9.759 0.434 8.157 154 2HD1 ILE 20 2HD1 ILE 20 -8.235 1.049 8.841 155 3HD1 ILE 20 3HD1 ILE 20 -9.739 1.981 9.037 156 H TYR 21 H TYR 21 -7.676 1.130 2.350 157 HA TYR 21 HA TYR 21 -6.406 -1.522 2.502 158 1HB TYR 21 1HB TYR 21 -8.022 0.010 0.390 159 2HB TYR 21 2HB TYR 21 -6.967 -1.301 -0.100 160 HD1 TYR 21 1HD TYR 21 -9.629 -1.671 -0.887 161 HD2 TYR 21 2HD TYR 21 -7.953 -2.385 2.984 162 HE1 TYR 21 1HE TYR 21 -11.475 -3.346 -0.388 163 HE2 TYR 21 2HE TYR 21 -9.805 -4.057 3.470 164 HH TYR 21 HH TYR 21 -11.773 -5.313 1.071 165 H VAL 22 H VAL 22 -4.331 -1.743 1.658 166 HA VAL 22 HA VAL 22 -3.121 0.773 0.742 167 HB VAL 22 HB VAL 22 -1.870 -1.569 2.191 168 1HG1 VAL 22 1HG1 VAL 22 -0.701 1.095 1.320 169 2HG1 VAL 22 2HG1 VAL 22 0.109 -0.081 2.383 170 3HG1 VAL 22 3HG1 VAL 22 -0.269 -0.516 0.699 171 1HG2 VAL 22 1HG2 VAL 22 -3.421 -0.189 3.582 172 2HG2 VAL 22 2HG2 VAL 22 -1.727 -0.132 4.126 173 3HG2 VAL 22 3HG2 VAL 22 -2.417 1.235 3.218 174 H ALA 23 H ALA 23 -1.167 0.381 -0.752 175 HA ALA 23 HA ALA 23 -1.661 -1.968 -2.439 176 1HB ALA 23 1HB ALA 23 -1.183 0.880 -3.407 177 2HB ALA 23 2HB ALA 23 -1.439 -0.558 -4.424 178 3HB ALA 23 3HB ALA 23 -2.760 0.055 -3.401 179 H ILE 24 H ILE 24 0.179 -3.078 -2.959 180 HA ILE 24 HA ILE 24 2.713 -1.659 -2.810 181 HB ILE 24 HB ILE 24 1.778 -3.702 -0.899 182 1HG1 ILE 24 1HG1 ILE 24 3.826 -1.472 -0.874 183 2HG1 ILE 24 2HG1 ILE 24 2.239 -1.475 -0.129 184 1HG2 ILE 24 1HG2 ILE 24 4.097 -4.592 -0.592 185 2HG2 ILE 24 2HG2 ILE 24 3.290 -5.122 -2.087 186 3HG2 ILE 24 3HG2 ILE 24 4.531 -3.848 -2.150 187 1HD1 ILE 24 1HD1 ILE 24 3.547 -2.020 1.716 188 2HD1 ILE 24 2HD1 ILE 24 3.186 -3.655 1.110 189 3HD1 ILE 24 3HD1 ILE 24 4.750 -2.892 0.736 190 H LYS 25 H LYS 25 3.484 -1.941 -4.834 191 HA LYS 25 HA LYS 25 4.229 -2.969 -6.644 192 1HB LYS 25 1HB LYS 25 3.731 -5.551 -5.131 193 2HB LYS 25 2HB LYS 25 4.627 -5.408 -6.630 194 1HG LYS 25 1HG LYS 25 6.493 -4.617 -5.577 195 2HG LYS 25 2HG LYS 25 5.573 -3.492 -4.598 196 1HD LYS 25 1HD LYS 25 6.456 -4.990 -2.995 197 2HD LYS 25 2HD LYS 25 4.821 -5.577 -3.222 198 1HE LYS 25 1HE LYS 25 6.234 -7.521 -3.313 199 2HE LYS 25 2HE LYS 25 5.742 -7.211 -4.966 200 1HZ LYS 25 1HZ LYS 25 7.877 -7.127 -5.437 201 2HZ LYS 25 2HZ LYS 25 8.008 -5.739 -4.586 202 3HZ LYS 25 3HZ LYS 25 8.325 -7.170 -3.866 203 H GLY 26 H GLY 26 1.215 -2.565 -5.774 204 1HA GLY 26 1HA GLY 26 -0.523 -2.404 -7.328 205 2HA GLY 26 2HA GLY 26 0.162 -3.724 -8.255 206 H ARG 27 H ARG 27 0.261 -4.304 -4.840 207 HA ARG 27 HA ARG 27 -2.052 -6.035 -5.160 208 1HB ARG 27 1HB ARG 27 0.318 -6.979 -4.602 209 2HB ARG 27 2HB ARG 27 0.094 -6.288 -3.007 210 1HG ARG 27 1HG ARG 27 -2.126 -7.585 -2.879 211 2HG ARG 27 2HG ARG 27 -1.642 -8.408 -4.349 212 1HD ARG 27 1HD ARG 27 0.587 -8.483 -2.502 213 2HD ARG 27 2HD ARG 27 -0.851 -8.997 -1.642 214 HE ARG 27 HE ARG 27 -0.613 -10.234 -4.282 215 1HH1 ARG 27 2HH2 ARG 27 0.359 -10.470 -0.908 216 2HH1 ARG 27 1HH2 ARG 27 0.663 -12.173 -0.981 217 1HH2 ARG 27 2HH1 ARG 27 -0.212 -12.482 -4.379 218 2HH2 ARG 27 1HH1 ARG 27 0.336 -13.326 -2.969 219 H VAL 28 H VAL 28 -3.860 -5.621 -3.903 220 HA VAL 28 HA VAL 28 -3.735 -3.393 -2.090 221 HB VAL 28 HB VAL 28 -5.890 -5.170 -3.202 222 1HG1 VAL 28 1HG1 VAL 28 -6.346 -4.701 -0.769 223 2HG1 VAL 28 2HG1 VAL 28 -6.370 -2.967 -1.173 224 3HG1 VAL 28 3HG1 VAL 28 -7.569 -4.066 -1.896 225 1HG2 VAL 28 1HG2 VAL 28 -4.991 -2.331 -3.546 226 2HG2 VAL 28 2HG2 VAL 28 -5.475 -3.533 -4.766 227 3HG2 VAL 28 3HG2 VAL 28 -6.712 -2.720 -3.778 228 H PHE 29 H PHE 29 -3.318 -3.530 0.052 229 HA PHE 29 HA PHE 29 -3.694 -6.169 1.285 230 1HB PHE 29 1HB PHE 29 -1.698 -3.869 1.669 231 2HB PHE 29 2HB PHE 29 -1.873 -5.123 2.881 232 HD1 PHE 29 1HD PHE 29 -1.778 -7.606 1.809 233 HD2 PHE 29 2HD PHE 29 0.016 -4.132 0.161 234 HE1 PHE 29 1HE PHE 29 -0.145 -9.044 0.558 235 HE2 PHE 29 2HE PHE 29 1.650 -5.570 -1.090 236 HZ PHE 29 HZ PHE 29 1.550 -8.008 -0.876 237 H ASP 30 H ASP 30 -4.392 -6.194 3.543 238 HA ASP 30 HA ASP 30 -6.073 -3.897 4.072 239 1HB ASP 30 1HB ASP 30 -7.443 -5.748 4.320 240 2HB ASP 30 2HB ASP 30 -6.114 -6.808 4.745 241 H VAL 31 H VAL 31 -5.451 -2.457 5.697 242 HA VAL 31 HA VAL 31 -3.550 -3.466 7.699 243 HB VAL 31 HB VAL 31 -2.409 -1.374 7.651 244 1HG1 VAL 31 1HG1 VAL 31 -2.644 -1.782 4.711 245 2HG1 VAL 31 2HG1 VAL 31 -1.203 -1.744 5.756 246 3HG1 VAL 31 3HG1 VAL 31 -2.215 -3.207 5.689 247 1HG2 VAL 31 1HG2 VAL 31 -3.206 0.206 5.618 248 2HG2 VAL 31 2HG2 VAL 31 -4.779 -0.483 6.088 249 3HG2 VAL 31 3HG2 VAL 31 -3.797 0.391 7.287 250 H THR 32 H THR 32 -6.684 -2.744 7.217 251 HA THR 32 HA THR 32 -7.368 -0.733 8.972 252 HB THR 32 HB THR 32 -9.232 -1.490 7.837 253 HG1 THR 32 1HG THR 32 -9.175 -3.643 9.802 254 1HG2 THR 32 1HG2 THR 32 -7.807 -4.173 7.922 255 2HG2 THR 32 2HG2 THR 32 -9.553 -4.112 7.580 256 3HG2 THR 32 3HG2 THR 32 -8.407 -3.275 6.506 257 H THR 33 H THR 33 -6.026 -3.907 9.655 258 HA THR 33 HA THR 33 -6.967 -4.276 12.241 259 HB THR 33 HB THR 33 -5.795 -6.033 11.030 260 HG1 THR 33 1HG THR 33 -3.997 -4.895 13.047 261 1HG2 THR 33 1HG2 THR 33 -4.061 -3.973 10.164 262 2HG2 THR 33 2HG2 THR 33 -3.073 -4.943 11.282 263 3HG2 THR 33 3HG2 THR 33 -3.843 -5.716 9.875 264 H GLY 34 H GLY 34 -5.184 -1.651 11.038 265 1HA GLY 34 1HA GLY 34 -4.670 -0.752 13.761 266 2HA GLY 34 2HA GLY 34 -3.266 -0.937 12.728 267 H LYS 35 H LYS 35 -6.656 0.193 12.051 268 HA LYS 35 HA LYS 35 -5.959 2.099 10.210 269 1HB LYS 35 1HB LYS 35 -8.166 2.531 10.161 270 2HB LYS 35 2HB LYS 35 -8.281 1.128 11.203 271 1HG LYS 35 1HG LYS 35 -7.983 2.767 13.193 272 2HG LYS 35 2HG LYS 35 -8.247 4.058 12.038 273 1HD LYS 35 1HD LYS 35 -10.275 1.952 11.750 274 2HD LYS 35 2HD LYS 35 -10.233 2.567 13.391 275 1HE LYS 35 1HE LYS 35 -10.034 4.777 11.486 276 2HE LYS 35 2HE LYS 35 -11.439 3.794 11.123 277 1HZ LYS 35 1HZ LYS 35 -11.699 5.604 12.826 278 2HZ LYS 35 2HZ LYS 35 -12.280 4.135 13.241 279 3HZ LYS 35 3HZ LYS 35 -10.861 4.656 13.859 280 H SER 36 H SER 36 -5.505 2.091 13.680 281 HA SER 36 HA SER 36 -5.542 4.798 14.159 282 1HB SER 36 1HB SER 36 -4.350 2.384 15.444 283 2HB SER 36 2HB SER 36 -3.602 3.905 15.886 284 HG SER 36 HG SER 36 -6.199 2.933 16.450 285 H PHE 37 H PHE 37 -3.392 2.885 12.230 286 HA PHE 37 HA PHE 37 -1.331 4.964 12.380 287 1HB PHE 37 1HB PHE 37 -1.366 2.092 11.270 288 2HB PHE 37 2HB PHE 37 0.052 3.122 11.282 289 HD1 PHE 37 1HD PHE 37 -1.514 0.519 12.940 290 HD2 PHE 37 2HD PHE 37 0.579 4.124 13.736 291 HE1 PHE 37 1HE PHE 37 -0.915 -0.333 15.223 292 HE2 PHE 37 2HE PHE 37 1.178 3.272 16.019 293 HZ PHE 37 HZ PHE 37 0.424 1.054 16.736 294 H TYR 38 H TYR 38 -3.397 3.007 10.163 295 HA TYR 38 HA TYR 38 -2.497 4.652 7.926 296 1HB TYR 38 1HB TYR 38 -3.621 1.961 8.496 297 2HB TYR 38 2HB TYR 38 -4.516 2.748 7.211 298 HD1 TYR 38 1HD TYR 38 -1.720 0.732 7.952 299 HD2 TYR 38 2HD TYR 38 -3.020 3.821 5.292 300 HE1 TYR 38 1HE TYR 38 0.073 0.057 6.280 301 HE2 TYR 38 2HE TYR 38 -1.222 3.136 3.630 302 HH TYR 38 HH TYR 38 1.355 1.450 4.357 303 H GLY 39 H GLY 39 -5.376 3.889 9.928 304 1HA GLY 39 1HA GLY 39 -7.408 4.978 8.475 305 2HA GLY 39 2HA GLY 39 -7.287 5.047 10.222 306 H SER 40 H SER 40 -8.591 7.145 9.370 307 HA SER 40 HA SER 40 -7.621 9.233 8.162 308 1HB SER 40 1HB SER 40 -9.726 8.949 9.721 309 2HB SER 40 2HB SER 40 -8.714 9.673 10.955 310 HG SER 40 HG SER 40 -8.996 10.914 8.371 311 H GLY 41 H GLY 41 -5.828 10.556 8.219 312 1HA GLY 41 1HA GLY 41 -3.698 11.088 8.850 313 2HA GLY 41 2HA GLY 41 -4.579 11.794 10.190 314 H GLY 42 H GLY 42 -2.593 9.060 9.101 315 1HA GLY 42 1HA GLY 42 -2.063 8.402 11.913 316 2HA GLY 42 2HA GLY 42 -2.607 7.128 10.840 317 H ASP 43 H ASP 43 -0.304 6.398 11.706 318 HA ASP 43 HA ASP 43 2.003 7.521 10.971 319 1HB ASP 43 1HB ASP 43 1.047 4.841 11.594 320 2HB ASP 43 2HB ASP 43 2.280 4.738 10.353 321 H TYR 44 H TYR 44 -0.138 5.351 8.995 322 HA TYR 44 HA TYR 44 1.509 5.923 6.643 323 1HB TYR 44 1HB TYR 44 -0.914 4.071 6.872 324 2HB TYR 44 2HB TYR 44 0.471 3.889 5.814 325 HD1 TYR 44 1HD TYR 44 -1.071 2.579 8.634 326 HD2 TYR 44 2HD TYR 44 2.811 3.670 7.204 327 HE1 TYR 44 1HE TYR 44 -0.001 0.983 10.298 328 HE2 TYR 44 2HE TYR 44 3.868 2.070 8.873 329 HH TYR 44 HH TYR 44 3.231 0.053 10.081 330 H SER 45 H SER 45 0.326 8.224 7.196 331 HA SER 45 HA SER 45 -2.342 8.362 6.305 332 1HB SER 45 1HB SER 45 -2.040 10.794 6.475 333 2HB SER 45 2HB SER 45 -1.356 10.004 7.881 334 HG SER 45 HG SER 45 0.716 10.406 7.170 335 H MET 46 H MET 46 0.880 8.600 4.811 336 HA MET 46 HA MET 46 -0.175 9.707 2.397 337 1HB MET 46 1HB MET 46 2.261 9.243 1.633 338 2HB MET 46 2HB MET 46 2.084 10.345 2.983 339 1HG MET 46 1HG MET 46 2.291 7.471 3.758 340 2HG MET 46 2HG MET 46 3.725 8.119 2.986 341 1HE MET 46 1HE MET 46 4.518 11.250 5.037 342 2HE MET 46 2HE MET 46 4.117 10.703 3.391 343 3HE MET 46 3HE MET 46 2.873 11.481 4.398 344 H PHE 47 H PHE 47 0.593 6.519 3.750 345 HA PHE 47 HA PHE 47 0.613 5.203 1.216 346 1HB PHE 47 1HB PHE 47 0.254 4.251 4.122 347 2HB PHE 47 2HB PHE 47 0.592 3.182 2.776 348 HD1 PHE 47 1HD PHE 47 2.477 5.714 1.744 349 HD2 PHE 47 2HD PHE 47 2.321 3.077 5.065 350 HE1 PHE 47 1HE PHE 47 4.940 6.029 2.110 351 HE2 PHE 47 2HE PHE 47 4.784 3.393 5.432 352 HZ PHE 47 HZ PHE 47 6.064 4.865 3.950 353 H ALA 48 H ALA 48 -1.769 5.871 3.814 354 HA ALA 48 HA ALA 48 -3.731 4.089 3.221 355 1HB ALA 48 1HB ALA 48 -3.425 6.461 4.717 356 2HB ALA 48 2HB ALA 48 -4.842 6.738 3.677 357 3HB ALA 48 3HB ALA 48 -4.797 5.329 4.764 358 H GLY 49 H GLY 49 -5.051 3.662 1.510 359 1HA GLY 49 1HA GLY 49 -5.909 3.799 -0.564 360 2HA GLY 49 2HA GLY 49 -6.224 5.481 -0.185 361 H LYS 50 H LYS 50 -2.953 3.998 -0.329 362 HA LYS 50 HA LYS 50 -2.478 4.984 -2.977 363 1HB LYS 50 1HB LYS 50 -1.252 6.394 -0.593 364 2HB LYS 50 2HB LYS 50 -0.599 6.497 -2.215 365 1HG LYS 50 1HG LYS 50 -3.066 7.161 -2.900 366 2HG LYS 50 2HG LYS 50 -3.274 7.499 -1.193 367 1HD LYS 50 1HD LYS 50 -0.925 8.808 -1.581 368 2HD LYS 50 2HD LYS 50 -1.551 8.906 -3.215 369 1HE LYS 50 1HE LYS 50 -3.693 9.526 -1.351 370 2HE LYS 50 2HE LYS 50 -2.293 10.502 -0.951 371 1HZ LYS 50 1HZ LYS 50 -2.249 10.847 -3.502 372 2HZ LYS 50 2HZ LYS 50 -3.832 10.454 -3.410 373 3HZ LYS 50 3HZ LYS 50 -3.257 11.732 -2.571 374 H ASP 51 H ASP 51 -0.483 4.164 -3.851 375 HA ASP 51 HA ASP 51 0.314 1.794 -2.466 376 1HB ASP 51 1HB ASP 51 -0.093 1.838 -4.938 377 2HB ASP 51 2HB ASP 51 1.220 2.981 -5.132 378 H ALA 52 H ALA 52 2.185 1.678 -1.201 379 HA ALA 52 HA ALA 52 4.131 3.859 -1.534 380 1HB ALA 52 1HB ALA 52 4.596 3.582 0.871 381 2HB ALA 52 2HB ALA 52 2.876 3.952 0.595 382 3HB ALA 52 3HB ALA 52 3.380 2.285 0.963 383 H SER 53 H SER 53 4.510 1.925 -3.331 384 HA SER 53 HA SER 53 5.917 -0.282 -2.269 385 1HB SER 53 1HB SER 53 5.036 -0.847 -4.324 386 2HB SER 53 2HB SER 53 5.201 0.774 -4.968 387 HG SER 53 HG SER 53 7.320 0.403 -5.520 388 H ARG 54 H ARG 54 6.885 2.643 -4.213 389 HA ARG 54 HA ARG 54 9.606 2.100 -3.959 390 1HB ARG 54 1HB ARG 54 9.807 3.879 -5.391 391 2HB ARG 54 2HB ARG 54 8.056 3.849 -5.449 392 1HG ARG 54 1HG ARG 54 8.576 6.104 -4.899 393 2HG ARG 54 2HG ARG 54 8.101 5.393 -3.369 394 1HD ARG 54 1HD ARG 54 10.179 5.688 -2.465 395 2HD ARG 54 2HD ARG 54 10.980 5.031 -3.878 396 HE ARG 54 HE ARG 54 10.782 7.788 -3.261 397 1HH1 ARG 54 2HH2 ARG 54 10.216 5.684 -6.025 398 2HH1 ARG 54 1HH2 ARG 54 10.559 6.915 -7.194 399 1HH2 ARG 54 2HH1 ARG 54 11.235 9.412 -4.803 400 2HH2 ARG 54 1HH1 ARG 54 11.143 9.050 -6.494 401 H ALA 55 H ALA 55 7.226 3.937 -2.026 402 HA ALA 55 HA ALA 55 9.001 5.443 -0.496 403 1HB ALA 55 1HB ALA 55 6.384 5.461 -0.750 404 2HB ALA 55 2HB ALA 55 6.431 4.311 0.608 405 3HB ALA 55 3HB ALA 55 7.121 5.941 0.797 406 H LEU 56 H LEU 56 7.647 2.119 -0.045 407 HA LEU 56 HA LEU 56 8.851 1.690 2.446 408 1HB LEU 56 1HB LEU 56 7.574 0.031 0.334 409 2HB LEU 56 2HB LEU 56 8.573 -0.795 1.513 410 HG LEU 56 HG LEU 56 7.177 -0.213 3.308 411 1HD1 LEU 56 1HD1 LEU 56 6.643 1.980 3.333 412 2HD1 LEU 56 2HD1 LEU 56 6.376 2.054 1.575 413 3HD1 LEU 56 3HD1 LEU 56 5.115 1.388 2.640 414 1HD2 LEU 56 1HD2 LEU 56 6.075 -1.451 0.998 415 2HD2 LEU 56 2HD2 LEU 56 5.647 -1.700 2.708 416 3HD2 LEU 56 3HD2 LEU 56 4.797 -0.465 1.749 417 H GLY 57 H GLY 57 9.921 1.035 -0.939 418 1HA GLY 57 1HA GLY 57 12.220 -0.392 -0.442 419 2HA GLY 57 2HA GLY 57 11.978 0.707 -1.785 420 H LYS 58 H LYS 58 12.359 3.106 -1.354 421 HA LYS 58 HA LYS 58 14.888 3.429 -0.187 422 1HB LYS 58 1HB LYS 58 12.884 5.575 -0.941 423 2HB LYS 58 2HB LYS 58 14.615 5.772 -0.749 424 1HG LYS 58 1HG LYS 58 15.114 4.569 -2.718 425 2HG LYS 58 2HG LYS 58 13.601 3.686 -2.691 426 1HD LYS 58 1HD LYS 58 12.510 6.087 -3.021 427 2HD LYS 58 2HD LYS 58 14.109 6.539 -3.575 428 1HE LYS 58 1HE LYS 58 12.806 4.044 -4.699 429 2HE LYS 58 2HE LYS 58 12.309 5.613 -5.300 430 1HZ LYS 58 1HZ LYS 58 15.131 4.838 -5.163 431 2HZ LYS 58 2HZ LYS 58 14.205 4.513 -6.467 432 3HZ LYS 58 3HZ LYS 58 14.466 6.061 -6.017 433 H MET 59 H MET 59 11.627 3.488 1.098 434 HA MET 59 HA MET 59 10.876 3.699 3.130 435 1HB MET 59 1HB MET 59 13.827 3.888 3.961 436 2HB MET 59 2HB MET 59 12.497 3.614 5.069 437 1HG MET 59 1HG MET 59 11.944 1.479 3.929 438 2HG MET 59 2HG MET 59 13.196 1.764 2.737 439 1HE MET 59 1HE MET 59 12.318 0.308 6.140 440 2HE MET 59 2HE MET 59 13.757 0.612 7.143 441 3HE MET 59 3HE MET 59 12.728 1.970 6.627 442 H SER 60 H SER 60 10.612 5.949 1.731 443 HA SER 60 HA SER 60 11.680 8.051 3.441 444 1HB SER 60 1HB SER 60 11.936 7.872 0.753 445 2HB SER 60 2HB SER 60 10.386 8.688 0.807 446 HG SER 60 HG SER 60 11.722 10.406 0.901 447 H LYS 61 H LYS 61 8.834 6.319 2.405 448 HA LYS 61 HA LYS 61 6.669 6.558 2.785 449 1HB LYS 61 1HB LYS 61 6.020 7.100 4.983 450 2HB LYS 61 2HB LYS 61 7.636 6.439 5.124 451 1HG LYS 61 1HG LYS 61 8.601 8.511 5.634 452 2HG LYS 61 2HG LYS 61 7.388 9.418 4.753 453 1HD LYS 61 1HD LYS 61 6.477 9.859 6.797 454 2HD LYS 61 2HD LYS 61 5.846 8.226 6.724 455 1HE LYS 61 1HE LYS 61 8.620 8.154 7.618 456 2HE LYS 61 2HE LYS 61 7.718 9.286 8.606 457 1HZ LYS 61 1HZ LYS 61 6.024 7.483 8.808 458 2HZ LYS 61 2HZ LYS 61 7.106 6.459 8.140 459 3HZ LYS 61 3HZ LYS 61 7.444 7.192 9.560 460 H ASN 62 H ASN 62 8.283 8.726 1.273 461 HA ASN 62 HA ASN 62 7.101 11.167 1.752 462 1HB ASN 62 1HB ASN 62 8.487 9.854 -0.588 463 2HB ASN 62 2HB ASN 62 7.612 11.337 -0.914 464 1HD2 ASN 62 1HD2 ASN 62 8.649 13.159 -0.662 465 2HD2 ASN 62 2HD2 ASN 62 10.057 13.441 0.306 466 H GLU 63 H GLU 63 5.410 12.287 0.375 467 HA GLU 63 HA GLU 63 3.238 10.509 -0.092 468 1HB GLU 63 1HB GLU 63 3.255 12.965 0.891 469 2HB GLU 63 2HB GLU 63 3.207 13.453 -0.792 470 1HG GLU 63 1HG GLU 63 1.243 11.531 -0.794 471 2HG GLU 63 2HG GLU 63 1.107 12.106 0.856 472 H GLU 64 H GLU 64 5.810 11.941 -1.958 473 HA GLU 64 HA GLU 64 4.331 11.676 -4.417 474 1HB GLU 64 1HB GLU 64 7.268 12.363 -4.303 475 2HB GLU 64 2HB GLU 64 6.048 12.919 -5.432 476 1HG GLU 64 1HG GLU 64 5.025 14.354 -3.737 477 2HG GLU 64 2HG GLU 64 6.026 13.666 -2.473 478 H ASP 65 H ASP 65 6.921 10.096 -2.531 479 HA ASP 65 HA ASP 65 7.986 8.510 -4.475 480 1HB ASP 65 1HB ASP 65 8.682 7.026 -2.641 481 2HB ASP 65 2HB ASP 65 8.852 8.701 -2.153 482 H VAL 66 H VAL 66 4.842 8.442 -2.885 483 HA VAL 66 HA VAL 66 4.118 5.819 -2.955 484 HB VAL 66 HB VAL 66 2.564 8.339 -3.533 485 1HG1 VAL 66 1HG1 VAL 66 1.160 5.837 -2.692 486 2HG1 VAL 66 2HG1 VAL 66 0.572 7.215 -3.653 487 3HG1 VAL 66 3HG1 VAL 66 1.632 5.997 -4.401 488 1HG2 VAL 66 1HG2 VAL 66 2.400 8.581 -1.312 489 2HG2 VAL 66 2HG2 VAL 66 1.979 6.867 -1.077 490 3HG2 VAL 66 3HG2 VAL 66 3.687 7.358 -1.185 491 H SER 67 H SER 67 4.623 4.417 -4.580 492 HA SER 67 HA SER 67 3.902 5.310 -7.263 493 1HB SER 67 1HB SER 67 6.014 4.765 -7.844 494 2HB SER 67 2HB SER 67 6.347 4.166 -6.232 495 HG SER 67 HG SER 67 6.633 2.430 -7.652 496 HA PRO 68 HA PRO 68 1.032 1.993 -6.683 497 1HB PRO 68 1HB PRO 68 -0.649 2.657 -8.732 498 2HB PRO 68 2HB PRO 68 -0.798 3.321 -7.117 499 1HG PRO 68 1HG PRO 68 0.245 4.613 -9.562 500 2HG PRO 68 2HG PRO 68 -0.303 5.360 -8.075 501 1HD PRO 68 1HD PRO 68 2.417 4.985 -8.906 502 2HD PRO 68 2HD PRO 68 1.869 5.625 -7.369 503 H SER 69 H SER 69 3.475 2.286 -8.676 504 HA SER 69 HA SER 69 2.968 -0.324 -9.726 505 1HB SER 69 1HB SER 69 2.142 1.661 -11.364 506 2HB SER 69 2HB SER 69 3.839 1.668 -11.802 507 HG SER 69 HG SER 69 3.550 -0.132 -12.917 508 H LEU 70 H LEU 70 4.914 -1.471 -9.953 509 HA LEU 70 HA LEU 70 7.250 -0.136 -8.957 510 1HB LEU 70 1HB LEU 70 8.241 -2.443 -9.258 511 2HB LEU 70 2HB LEU 70 6.943 -2.262 -8.095 512 HG LEU 70 HG LEU 70 5.409 -3.434 -9.405 513 1HD1 LEU 70 1HD1 LEU 70 5.904 -2.124 -11.495 514 2HD1 LEU 70 2HD1 LEU 70 7.217 -3.279 -11.826 515 3HD1 LEU 70 3HD1 LEU 70 5.532 -3.847 -11.745 516 1HD2 LEU 70 1HD2 LEU 70 7.849 -4.932 -10.290 517 2HD2 LEU 70 2HD2 LEU 70 7.533 -4.715 -8.551 518 3HD2 LEU 70 3HD2 LEU 70 6.331 -5.532 -9.579 519 H GLU 71 H GLU 71 6.672 1.302 -11.132 520 HA GLU 71 HA GLU 71 8.231 0.139 -13.289 521 1HB GLU 71 1HB GLU 71 6.214 2.403 -13.158 522 2HB GLU 71 2HB GLU 71 7.289 2.238 -14.532 523 1HG GLU 71 1HG GLU 71 6.426 0.033 -15.063 524 2HG GLU 71 2HG GLU 71 5.567 -0.073 -13.538 525 H GLY 72 H GLY 72 9.960 0.657 -11.355 526 1HA GLY 72 1HA GLY 72 11.817 2.391 -12.320 527 2HA GLY 72 2HA GLY 72 10.833 3.398 -11.278 528 H LEU 73 H LEU 73 10.140 0.969 -9.529 529 HA LEU 73 HA LEU 73 11.808 1.355 -7.469 530 1HB LEU 73 1HB LEU 73 10.177 -0.960 -8.388 531 2HB LEU 73 2HB LEU 73 11.288 -1.223 -7.058 532 HG LEU 73 HG LEU 73 8.805 -0.545 -6.607 533 1HD1 LEU 73 1HD1 LEU 73 10.792 -0.781 -4.992 534 2HD1 LEU 73 2HD1 LEU 73 10.871 0.997 -5.047 535 3HD1 LEU 73 3HD1 LEU 73 9.393 0.188 -4.470 536 1HD2 LEU 73 1HD2 LEU 73 8.369 1.814 -6.430 537 2HD2 LEU 73 2HD2 LEU 73 10.021 2.206 -6.964 538 3HD2 LEU 73 3HD2 LEU 73 8.877 1.445 -8.095 539 H THR 74 H THR 74 13.987 1.419 -7.390 540 HA THR 74 HA THR 74 15.542 -0.166 -9.218 541 HB THR 74 HB THR 74 17.377 1.149 -8.320 542 HG1 THR 74 1HG THR 74 17.061 1.021 -6.082 543 1HG2 THR 74 1HG2 THR 74 16.390 2.934 -9.394 544 2HG2 THR 74 2HG2 THR 74 14.775 2.521 -8.772 545 3HG2 THR 74 3HG2 THR 74 15.909 3.445 -7.759 546 H GLU 75 H GLU 75 17.744 -0.986 -7.836 547 HA GLU 75 HA GLU 75 16.775 -3.377 -6.754 548 1HB GLU 75 1HB GLU 75 19.374 -2.183 -7.442 549 2HB GLU 75 2HB GLU 75 19.473 -3.176 -6.002 550 1HG GLU 75 1HG GLU 75 19.145 -5.117 -7.168 551 2HG GLU 75 2HG GLU 75 17.851 -4.433 -8.130 552 H LYS 76 H LYS 76 18.181 -0.372 -5.341 553 HA LYS 76 HA LYS 76 18.493 -1.215 -2.748 554 1HB LYS 76 1HB LYS 76 18.824 0.991 -2.253 555 2HB LYS 76 2HB LYS 76 19.025 1.046 -3.993 556 1HG LYS 76 1HG LYS 76 16.719 1.813 -4.305 557 2HG LYS 76 2HG LYS 76 16.354 1.563 -2.610 558 1HD LYS 76 1HD LYS 76 16.878 3.773 -2.368 559 2HD LYS 76 2HD LYS 76 18.543 3.233 -2.420 560 1HE LYS 76 1HE LYS 76 18.047 3.389 -5.104 561 2HE LYS 76 2HE LYS 76 16.927 4.611 -4.536 562 1HZ LYS 76 1HZ LYS 76 19.606 4.905 -4.865 563 2HZ LYS 76 2HZ LYS 76 18.604 5.955 -4.117 564 3HZ LYS 76 3HZ LYS 76 19.420 4.842 -3.243 565 H GLU 77 H GLU 77 15.548 0.198 -4.324 566 HA GLU 77 HA GLU 77 14.035 -0.207 -1.961 567 1HB GLU 77 1HB GLU 77 12.111 0.309 -3.722 568 2HB GLU 77 2HB GLU 77 13.187 1.579 -3.174 569 1HG GLU 77 1HG GLU 77 14.312 0.093 -5.460 570 2HG GLU 77 2HG GLU 77 12.755 0.800 -5.842 571 H ILE 78 H ILE 78 14.447 -1.867 -5.130 572 HA ILE 78 HA ILE 78 12.374 -3.660 -4.963 573 HB ILE 78 HB ILE 78 15.061 -3.641 -6.258 574 1HG1 ILE 78 1HG1 ILE 78 12.554 -2.702 -6.951 575 2HG1 ILE 78 2HG1 ILE 78 13.916 -2.925 -8.031 576 1HG2 ILE 78 1HG2 ILE 78 14.807 -5.961 -5.529 577 2HG2 ILE 78 2HG2 ILE 78 13.196 -6.031 -6.284 578 3HG2 ILE 78 3HG2 ILE 78 14.645 -5.816 -7.296 579 1HD1 ILE 78 1HD1 ILE 78 13.169 -5.210 -8.580 580 2HD1 ILE 78 2HD1 ILE 78 11.837 -5.073 -7.408 581 3HD1 ILE 78 3HD1 ILE 78 11.846 -4.054 -8.867 582 H ASN 79 H ASN 79 15.396 -3.492 -3.135 583 HA ASN 79 HA ASN 79 15.127 -6.182 -2.220 584 1HB ASN 79 1HB ASN 79 17.042 -3.890 -1.783 585 2HB ASN 79 2HB ASN 79 16.976 -5.114 -0.531 586 1HD2 ASN 79 1HD2 ASN 79 18.258 -4.226 -3.491 587 2HD2 ASN 79 2HD2 ASN 79 18.951 -5.731 -3.996 588 H THR 80 H THR 80 14.818 -2.797 -0.938 589 HA THR 80 HA THR 80 13.929 -3.672 1.640 590 HB THR 80 HB THR 80 13.955 -0.955 0.222 591 HG1 THR 80 1HG THR 80 15.608 -2.211 2.294 592 1HG2 THR 80 1HG2 THR 80 12.433 -0.877 2.178 593 2HG2 THR 80 2HG2 THR 80 13.645 -1.720 3.173 594 3HG2 THR 80 3HG2 THR 80 13.967 -0.071 2.585 595 H LEU 81 H LEU 81 12.342 -2.316 -1.308 596 HA LEU 81 HA LEU 81 9.792 -2.182 -0.213 597 1HB LEU 81 1HB LEU 81 10.234 -1.015 -2.194 598 2HB LEU 81 2HB LEU 81 10.866 -2.432 -3.007 599 HG LEU 81 HG LEU 81 8.558 -1.562 -3.701 600 1HD1 LEU 81 1HD1 LEU 81 7.769 -3.765 -4.246 601 2HD1 LEU 81 2HD1 LEU 81 9.546 -3.753 -4.353 602 3HD1 LEU 81 3HD1 LEU 81 8.744 -4.489 -2.944 603 1HD2 LEU 81 1HD2 LEU 81 7.601 -3.102 -1.285 604 2HD2 LEU 81 2HD2 LEU 81 7.784 -1.332 -1.296 605 3HD2 LEU 81 3HD2 LEU 81 6.652 -2.117 -2.423 606 H ASN 82 H ASN 82 11.305 -4.798 -2.235 607 HA ASN 82 HA ASN 82 9.269 -6.522 -2.287 608 1HB ASN 82 1HB ASN 82 12.268 -6.894 -2.056 609 2HB ASN 82 2HB ASN 82 11.252 -8.321 -1.988 610 1HD2 ASN 82 1HD2 ASN 82 10.377 -5.418 -3.740 611 2HD2 ASN 82 2HD2 ASN 82 10.524 -6.047 -5.347 612 H ASP 83 H ASP 83 11.773 -6.144 0.324 613 HA ASP 83 HA ASP 83 10.866 -8.184 1.931 614 1HB ASP 83 1HB ASP 83 12.856 -6.197 2.018 615 2HB ASP 83 2HB ASP 83 11.859 -5.829 3.411 616 H TRP 84 H TRP 84 9.956 -4.711 1.616 617 HA TRP 84 HA TRP 84 8.381 -4.520 3.916 618 1HB TRP 84 1HB TRP 84 8.881 -2.962 1.486 619 2HB TRP 84 2HB TRP 84 7.253 -2.778 2.107 620 HD1 TRP 84 HD TRP 84 10.517 -1.212 2.508 621 HE1 TRP 84 1HE TRP 84 10.789 0.197 4.723 622 HE3 TRP 84 3HE TRP 84 6.453 -3.156 4.866 623 HZ2 TRP 84 2HZ TRP 84 9.307 0.337 7.157 624 HZ3 TRP 84 3HZ TRP 84 5.936 -2.329 7.160 625 HH2 TRP 84 HH TRP 84 7.286 -0.643 8.304 626 H GLU 85 H GLU 85 7.813 -5.756 0.600 627 HA GLU 85 HA GLU 85 5.046 -5.885 0.788 628 1HB GLU 85 1HB GLU 85 5.690 -6.162 -1.399 629 2HB GLU 85 2HB GLU 85 7.170 -6.997 -0.974 630 1HG GLU 85 1HG GLU 85 4.732 -8.538 -0.291 631 2HG GLU 85 2HG GLU 85 4.869 -8.194 -2.004 632 H THR 86 H THR 86 7.623 -8.363 1.411 633 HA THR 86 HA THR 86 5.863 -10.422 2.130 634 HB THR 86 HB THR 86 8.797 -9.760 2.570 635 HG1 THR 86 1HG THR 86 8.873 -11.382 0.961 636 1HG2 THR 86 1HG2 THR 86 7.141 -11.895 3.902 637 2HG2 THR 86 2HG2 THR 86 8.684 -12.407 3.177 638 3HG2 THR 86 3HG2 THR 86 8.666 -11.153 4.441 639 H LYS 87 H LYS 87 7.067 -7.601 3.902 640 HA LYS 87 HA LYS 87 6.312 -8.657 6.446 641 1HB LYS 87 1HB LYS 87 6.994 -5.825 5.599 642 2HB LYS 87 2HB LYS 87 6.845 -6.393 7.250 643 1HG LYS 87 1HG LYS 87 8.819 -7.649 7.155 644 2HG LYS 87 2HG LYS 87 8.703 -7.910 5.426 645 1HD LYS 87 1HD LYS 87 10.133 -6.186 5.092 646 2HD LYS 87 2HD LYS 87 8.938 -5.089 5.756 647 1HE LYS 87 1HE LYS 87 10.502 -6.665 7.767 648 2HE LYS 87 2HE LYS 87 11.418 -5.481 6.857 649 1HZ LYS 87 1HZ LYS 87 10.350 -3.816 7.849 650 2HZ LYS 87 2HZ LYS 87 8.889 -4.546 7.825 651 3HZ LYS 87 3HZ LYS 87 9.966 -4.913 8.996 652 H PHE 88 H PHE 88 4.866 -6.520 3.944 653 HA PHE 88 HA PHE 88 2.577 -5.990 5.588 654 1HB PHE 88 1HB PHE 88 3.796 -5.235 2.976 655 2HB PHE 88 2HB PHE 88 2.054 -5.379 2.863 656 HD1 PHE 88 1HD PHE 88 4.441 -3.983 5.385 657 HD2 PHE 88 2HD PHE 88 0.972 -3.363 3.022 658 HE1 PHE 88 1HE PHE 88 4.188 -1.684 6.361 659 HE2 PHE 88 2HE PHE 88 0.718 -1.064 3.998 660 HZ PHE 88 HZ PHE 88 2.329 -0.252 5.656 661 H GLU 89 H GLU 89 3.401 -8.046 2.736 662 HA GLU 89 HA GLU 89 0.766 -8.929 2.379 663 1HB GLU 89 1HB GLU 89 1.912 -9.354 0.448 664 2HB GLU 89 2HB GLU 89 3.448 -9.526 1.274 665 1HG GLU 89 1HG GLU 89 1.333 -11.674 1.594 666 2HG GLU 89 2HG GLU 89 2.311 -11.636 0.140 667 H ALA 90 H ALA 90 3.543 -10.031 4.340 668 HA ALA 90 HA ALA 90 2.100 -12.434 5.114 669 1HB ALA 90 1HB ALA 90 4.775 -11.524 6.189 670 2HB ALA 90 2HB ALA 90 4.156 -13.179 5.968 671 3HB ALA 90 3HB ALA 90 4.642 -12.214 4.554 672 H LYS 91 H LYS 91 0.999 -9.756 5.750 673 HA LYS 91 HA LYS 91 0.691 -10.208 8.579 674 1HB LYS 91 1HB LYS 91 2.022 -7.721 7.494 675 2HB LYS 91 2HB LYS 91 1.163 -7.719 9.021 676 1HG LYS 91 1HG LYS 91 2.640 -9.878 9.527 677 2HG LYS 91 2HG LYS 91 3.670 -9.237 8.263 678 1HD LYS 91 1HD LYS 91 3.723 -7.022 9.514 679 2HD LYS 91 2HD LYS 91 2.830 -7.784 10.815 680 1HE LYS 91 1HE LYS 91 4.647 -9.428 11.156 681 2HE LYS 91 2HE LYS 91 5.521 -8.794 9.776 682 1HZ LYS 91 1HZ LYS 91 5.944 -6.825 10.889 683 2HZ LYS 91 2HZ LYS 91 4.792 -7.066 12.021 684 3HZ LYS 91 3HZ LYS 91 6.160 -7.958 12.046 685 H TYR 92 H TYR 92 0.070 -7.911 5.835 686 HA TYR 92 HA TYR 92 -2.629 -7.523 6.837 687 1HB TYR 92 1HB TYR 92 -0.896 -6.463 4.524 688 2HB TYR 92 2HB TYR 92 -2.553 -5.942 4.751 689 HD1 TYR 92 1HD TYR 92 -2.569 -5.754 7.781 690 HD2 TYR 92 2HD TYR 92 0.279 -4.440 4.871 691 HE1 TYR 92 1HE TYR 92 -1.774 -3.935 9.370 692 HE2 TYR 92 2HE TYR 92 1.064 -2.626 6.470 693 HH TYR 92 HH TYR 92 0.171 -1.371 8.344 694 HA PRO 93 HA PRO 93 -4.231 -10.455 4.055 695 1HB PRO 93 1HB PRO 93 -6.892 -9.984 4.458 696 2HB PRO 93 2HB PRO 93 -5.930 -11.005 5.508 697 1HG PRO 93 1HG PRO 93 -6.918 -8.261 5.989 698 2HG PRO 93 2HG PRO 93 -6.338 -9.438 7.150 699 1HD PRO 93 1HD PRO 93 -4.912 -7.153 6.164 700 2HD PRO 93 2HD PRO 93 -4.292 -8.393 7.236 701 H VAL 94 H VAL 94 -4.636 -10.642 1.911 702 HA VAL 94 HA VAL 94 -4.906 -8.095 0.581 703 HB VAL 94 HB VAL 94 -4.673 -10.896 -0.535 704 1HG1 VAL 94 1HG1 VAL 94 -4.647 -10.004 -2.594 705 2HG1 VAL 94 2HG1 VAL 94 -5.345 -8.551 -1.840 706 3HG1 VAL 94 3HG1 VAL 94 -3.587 -8.664 -2.095 707 1HG2 VAL 94 1HG2 VAL 94 -2.785 -10.262 0.981 708 2HG2 VAL 94 2HG2 VAL 94 -2.296 -10.534 -0.709 709 3HG2 VAL 94 3HG2 VAL 94 -2.454 -8.875 -0.084 710 H VAL 95 H VAL 95 -6.920 -7.215 0.518 711 HA VAL 95 HA VAL 95 -9.221 -8.945 0.463 712 HB VAL 95 HB VAL 95 -10.469 -6.864 0.604 713 1HG1 VAL 95 1HG1 VAL 95 -8.924 -5.929 2.669 714 2HG1 VAL 95 2HG1 VAL 95 -10.045 -7.308 2.772 715 3HG1 VAL 95 3HG1 VAL 95 -8.312 -7.590 2.479 716 1HG2 VAL 95 1HG2 VAL 95 -8.558 -4.868 1.023 717 2HG2 VAL 95 2HG2 VAL 95 -7.996 -5.726 -0.432 718 3HG2 VAL 95 3HG2 VAL 95 -9.636 -5.038 -0.383 719 H GLY 96 H GLY 96 -7.287 -6.932 -1.758 720 1HA GLY 96 1HA GLY 96 -8.613 -8.188 -4.012 721 2HA GLY 96 2HA GLY 96 -8.859 -6.458 -3.873 722 H ARG 97 H ARG 97 -7.670 -6.260 -5.937 723 HA ARG 97 HA ARG 97 -4.823 -6.229 -5.395 724 1HB ARG 97 1HB ARG 97 -6.154 -7.969 -7.271 725 2HB ARG 97 2HB ARG 97 -5.260 -6.788 -8.208 726 1HG ARG 97 1HG ARG 97 -3.759 -7.894 -5.885 727 2HG ARG 97 2HG ARG 97 -4.169 -9.082 -7.106 728 1HD ARG 97 1HD ARG 97 -2.921 -7.988 -8.792 729 2HD ARG 97 2HD ARG 97 -2.997 -6.433 -7.988 730 HE ARG 97 HE ARG 97 -1.588 -8.194 -6.261 731 1HH1 ARG 97 2HH2 ARG 97 -1.180 -6.720 -9.430 732 2HH1 ARG 97 1HH2 ARG 97 0.551 -6.719 -9.348 733 1HH2 ARG 97 2HH1 ARG 97 0.695 -8.193 -6.152 734 2HH2 ARG 97 1HH1 ARG 97 1.624 -7.563 -7.471 735 H VAL 98 H VAL 98 -3.662 -4.529 -6.545 736 HA VAL 98 HA VAL 98 -5.401 -2.349 -7.297 737 HB VAL 98 HB VAL 98 -2.459 -2.682 -6.762 738 1HG1 VAL 98 1HG1 VAL 98 -3.698 -0.711 -8.496 739 2HG1 VAL 98 2HG1 VAL 98 -2.947 0.064 -7.081 740 3HG1 VAL 98 3HG1 VAL 98 -1.977 -0.990 -8.138 741 1HG2 VAL 98 1HG2 VAL 98 -3.271 -0.645 -5.201 742 2HG2 VAL 98 2HG2 VAL 98 -4.815 -1.516 -5.363 743 3HG2 VAL 98 3HG2 VAL 98 -3.386 -2.352 -4.709 744 H VAL 99 H VAL 99 -5.703 -1.550 -9.356 745 HA VAL 99 HA VAL 99 -4.139 -2.852 -11.472 746 HB VAL 99 HB VAL 99 -6.474 -2.425 -12.714 747 1HG1 VAL 99 1HG1 VAL 99 -5.373 -4.780 -11.223 748 2HG1 VAL 99 2HG1 VAL 99 -7.000 -4.902 -11.934 749 3HG1 VAL 99 3HG1 VAL 99 -5.600 -4.538 -12.971 750 1HG2 VAL 99 1HG2 VAL 99 -7.470 -3.400 -10.047 751 2HG2 VAL 99 2HG2 VAL 99 -7.371 -1.655 -10.382 752 3HG2 VAL 99 3HG2 VAL 99 -8.376 -2.703 -11.412 753 H SER 100 H SER 100 -6.797 -0.473 -11.785 754 HA SER 100 HA SER 100 -4.984 1.253 -13.148 755 1HB SER 100 1HB SER 100 -7.861 0.856 -12.984 756 2HB SER 100 2HB SER 100 -7.492 2.554 -12.757 757 HG SER 100 HG SER 100 -7.297 2.631 -14.884 Start of MODEL 20 1 1H GLY -1 H GLY -1 -10.641 -12.298 -10.831 2 1HA GLY -1 1HA GLY -1 -10.329 -14.510 -9.726 3 2HA GLY -1 2HA GLY -1 -8.765 -13.913 -9.210 4 HA PRO 0 HA PRO 0 -10.657 -12.008 -5.805 5 1HB PRO 0 1HB PRO 0 -9.027 -9.876 -5.289 6 2HB PRO 0 2HB PRO 0 -8.633 -11.519 -4.823 7 1HG PRO 0 1HG PRO 0 -7.521 -9.903 -7.034 8 2HG PRO 0 2HG PRO 0 -6.865 -11.349 -6.293 9 1HD PRO 0 1HD PRO 0 -8.206 -11.174 -8.823 10 2HD PRO 0 2HD PRO 0 -7.653 -12.635 -8.029 11 H MET 1 H MET 1 -10.832 -9.350 -4.941 12 HA MET 1 HA MET 1 -13.057 -8.626 -6.520 13 1HB MET 1 1HB MET 1 -13.293 -8.041 -4.242 14 2HB MET 1 2HB MET 1 -11.608 -7.592 -4.076 15 1HG MET 1 1HG MET 1 -11.964 -5.423 -4.803 16 2HG MET 1 2HG MET 1 -13.179 -5.898 -5.973 17 1HE MET 1 1HE MET 1 -14.257 -3.538 -5.030 18 2HE MET 1 2HE MET 1 -15.344 -4.782 -5.693 19 3HE MET 1 3HE MET 1 -15.788 -3.915 -4.202 20 H GLU 2 H GLU 2 -9.647 -7.602 -6.275 21 HA GLU 2 HA GLU 2 -8.427 -6.240 -7.443 22 1HB GLU 2 1HB GLU 2 -10.605 -6.493 -9.565 23 2HB GLU 2 2HB GLU 2 -8.994 -5.864 -9.849 24 1HG GLU 2 1HG GLU 2 -8.133 -7.955 -10.043 25 2HG GLU 2 2HG GLU 2 -8.797 -8.432 -8.493 26 H PHE 3 H PHE 3 -8.248 -4.235 -6.524 27 HA PHE 3 HA PHE 3 -10.526 -2.421 -6.874 28 1HB PHE 3 1HB PHE 3 -8.160 -2.527 -4.908 29 2HB PHE 3 2HB PHE 3 -9.373 -1.262 -4.891 30 HD1 PHE 3 1HD PHE 3 -11.524 -1.627 -3.914 31 HD2 PHE 3 2HD PHE 3 -8.784 -4.846 -4.281 32 HE1 PHE 3 1HE PHE 3 -12.948 -3.013 -2.381 33 HE2 PHE 3 2HE PHE 3 -10.208 -6.233 -2.748 34 HZ PHE 3 HZ PHE 3 -12.273 -5.300 -1.816 35 H THR 4 H THR 4 -10.282 -0.630 -8.138 36 HA THR 4 HA THR 4 -7.736 -0.222 -9.420 37 HB THR 4 HB THR 4 -9.033 1.294 -10.822 38 HG1 THR 4 1HG THR 4 -11.086 2.034 -9.982 39 1HG2 THR 4 1HG2 THR 4 -11.400 -0.351 -10.297 40 2HG2 THR 4 2HG2 THR 4 -10.349 -0.339 -11.734 41 3HG2 THR 4 3HG2 THR 4 -9.935 -1.361 -10.336 42 H ALA 5 H ALA 5 -6.783 2.006 -9.612 43 HA ALA 5 HA ALA 5 -5.951 2.873 -7.135 44 1HB ALA 5 1HB ALA 5 -6.023 4.847 -9.374 45 2HB ALA 5 2HB ALA 5 -4.663 4.328 -8.349 46 3HB ALA 5 3HB ALA 5 -5.203 3.300 -9.698 47 H GLU 6 H GLU 6 -8.831 3.712 -9.041 48 HA GLU 6 HA GLU 6 -9.396 6.059 -7.603 49 1HB GLU 6 1HB GLU 6 -10.427 4.704 -9.868 50 2HB GLU 6 2HB GLU 6 -11.760 4.767 -8.733 51 1HG GLU 6 1HG GLU 6 -11.468 7.221 -8.483 52 2HG GLU 6 2HG GLU 6 -10.077 7.183 -9.548 53 H GLN 7 H GLN 7 -10.526 2.627 -7.399 54 HA GLN 7 HA GLN 7 -12.271 3.185 -5.258 55 1HB GLN 7 1HB GLN 7 -11.626 0.955 -6.963 56 2HB GLN 7 2HB GLN 7 -11.521 0.404 -5.303 57 1HG GLN 7 1HG GLN 7 -13.830 1.822 -5.112 58 2HG GLN 7 2HG GLN 7 -13.904 1.432 -6.819 59 1HE2 GLN 7 1HE2 GLN 7 -15.607 0.526 -4.682 60 2HE2 GLN 7 2HE2 GLN 7 -15.526 -1.203 -4.624 61 H LEU 8 H LEU 8 -8.857 2.218 -5.591 62 HA LEU 8 HA LEU 8 -8.592 1.515 -2.829 63 1HB LEU 8 1HB LEU 8 -7.225 0.376 -4.379 64 2HB LEU 8 2HB LEU 8 -6.680 1.864 -5.127 65 HG LEU 8 HG LEU 8 -5.800 2.238 -2.570 66 1HD1 LEU 8 1HD1 LEU 8 -5.966 0.324 -1.430 67 2HD1 LEU 8 2HD1 LEU 8 -6.276 -0.635 -2.897 68 3HD1 LEU 8 3HD1 LEU 8 -4.605 -0.236 -2.431 69 1HD2 LEU 8 1HD2 LEU 8 -3.610 1.857 -3.416 70 2HD2 LEU 8 2HD2 LEU 8 -4.214 0.753 -4.675 71 3HD2 LEU 8 3HD2 LEU 8 -4.590 2.491 -4.761 72 H SER 9 H SER 9 -8.536 4.438 -4.762 73 HA SER 9 HA SER 9 -6.965 5.879 -2.877 74 1HB SER 9 1HB SER 9 -6.836 6.604 -5.161 75 2HB SER 9 2HB SER 9 -8.579 6.651 -5.332 76 HG SER 9 HG SER 9 -8.553 8.673 -4.655 77 H GLN 10 H GLN 10 -10.066 4.623 -2.794 78 HA GLN 10 HA GLN 10 -11.037 6.884 -1.228 79 1HB GLN 10 1HB GLN 10 -13.335 5.777 -1.643 80 2HB GLN 10 2HB GLN 10 -12.578 6.584 -3.001 81 1HG GLN 10 1HG GLN 10 -11.679 4.388 -3.803 82 2HG GLN 10 2HG GLN 10 -12.441 3.582 -2.446 83 1HE2 GLN 10 1HE2 GLN 10 -14.694 3.463 -2.302 84 2HE2 GLN 10 2HE2 GLN 10 -15.726 3.649 -3.680 85 H TYR 11 H TYR 11 -9.178 4.648 -0.409 86 HA TYR 11 HA TYR 11 -10.769 3.763 1.873 87 1HB TYR 11 1HB TYR 11 -9.033 2.096 -0.052 88 2HB TYR 11 2HB TYR 11 -9.606 1.474 1.483 89 HD1 TYR 11 1HD TYR 11 -12.384 2.311 1.631 90 HD2 TYR 11 2HD TYR 11 -10.143 0.984 -1.763 91 HE1 TYR 11 1HE TYR 11 -14.530 1.535 0.509 92 HE2 TYR 11 2HE TYR 11 -12.296 0.212 -2.873 93 HH TYR 11 HH TYR 11 -14.628 -0.562 -1.932 94 H ASN 12 H ASN 12 -9.082 5.881 2.086 95 HA ASN 12 HA ASN 12 -6.593 4.713 3.040 96 1HB ASN 12 1HB ASN 12 -5.598 6.912 2.783 97 2HB ASN 12 2HB ASN 12 -6.521 6.616 1.323 98 1HD2 ASN 12 1HD2 ASN 12 -6.435 8.277 4.406 99 2HD2 ASN 12 2HD2 ASN 12 -7.612 9.500 4.059 100 H GLY 13 H GLY 13 -9.489 5.023 4.269 101 1HA GLY 13 1HA GLY 13 -10.318 5.310 6.341 102 2HA GLY 13 2HA GLY 13 -8.682 5.526 6.932 103 H THR 14 H THR 14 -11.671 7.088 6.071 104 HA THR 14 HA THR 14 -11.078 9.447 7.377 105 HB THR 14 HB THR 14 -9.648 9.349 4.979 106 HG1 THR 14 1HG THR 14 -9.299 11.518 5.665 107 1HG2 THR 14 1HG2 THR 14 -11.735 9.663 3.631 108 2HG2 THR 14 2HG2 THR 14 -12.158 11.074 4.630 109 3HG2 THR 14 3HG2 THR 14 -10.719 11.124 3.583 110 H ASP 15 H ASP 15 -12.775 8.058 4.510 111 HA ASP 15 HA ASP 15 -14.951 9.717 4.631 112 1HB ASP 15 1HB ASP 15 -14.161 7.333 3.260 113 2HB ASP 15 2HB ASP 15 -15.742 6.999 3.937 114 H GLU 16 H GLU 16 -17.235 7.970 4.887 115 HA GLU 16 HA GLU 16 -17.761 8.142 7.551 116 1HB GLU 16 1HB GLU 16 -18.982 6.768 5.205 117 2HB GLU 16 2HB GLU 16 -19.456 6.124 6.764 118 1HG GLU 16 1HG GLU 16 -20.749 7.939 7.231 119 2HG GLU 16 2HG GLU 16 -19.467 9.056 6.807 120 H SER 17 H SER 17 -17.881 4.864 6.070 121 HA SER 17 HA SER 17 -16.169 3.983 8.263 122 1HB SER 17 1HB SER 17 -18.827 3.038 7.343 123 2HB SER 17 2HB SER 17 -17.664 1.748 7.581 124 HG SER 17 HG SER 17 -17.294 2.542 9.753 125 H LYS 18 H LYS 18 -15.642 4.803 5.352 126 HA LYS 18 HA LYS 18 -15.245 2.614 3.733 127 1HB LYS 18 1HB LYS 18 -14.542 5.394 3.778 128 2HB LYS 18 2HB LYS 18 -13.130 4.475 3.300 129 1HG LYS 18 1HG LYS 18 -14.511 5.059 1.326 130 2HG LYS 18 2HG LYS 18 -14.431 3.321 1.537 131 1HD LYS 18 1HD LYS 18 -16.654 3.726 2.984 132 2HD LYS 18 2HD LYS 18 -16.755 5.188 2.024 133 1HE LYS 18 1HE LYS 18 -16.148 2.696 0.486 134 2HE LYS 18 2HE LYS 18 -17.740 2.752 1.217 135 1HZ LYS 18 1HZ LYS 18 -18.153 3.860 -0.676 136 2HZ LYS 18 2HZ LYS 18 -17.651 5.150 0.190 137 3HZ LYS 18 3HZ LYS 18 -16.631 4.423 -0.858 138 HA PRO 19 HA PRO 19 -12.081 0.486 5.794 139 1HB PRO 19 1HB PRO 19 -11.548 -1.402 3.892 140 2HB PRO 19 2HB PRO 19 -12.866 -1.543 5.038 141 1HG PRO 19 1HG PRO 19 -12.974 -0.857 2.164 142 2HG PRO 19 2HG PRO 19 -14.266 -1.413 3.210 143 1HD PRO 19 1HD PRO 19 -13.824 1.274 2.308 144 2HD PRO 19 2HD PRO 19 -15.045 0.737 3.444 145 H ILE 20 H ILE 20 -9.802 0.089 5.871 146 HA ILE 20 HA ILE 20 -8.485 1.999 4.112 147 HB ILE 20 HB ILE 20 -7.422 0.546 6.535 148 1HG1 ILE 20 1HG1 ILE 20 -7.871 3.297 7.073 149 2HG1 ILE 20 2HG1 ILE 20 -9.349 2.678 6.365 150 1HG2 ILE 20 1HG2 ILE 20 -5.459 1.401 5.964 151 2HG2 ILE 20 2HG2 ILE 20 -6.179 2.188 4.538 152 3HG2 ILE 20 3HG2 ILE 20 -6.149 3.036 6.103 153 1HD1 ILE 20 1HD1 ILE 20 -9.414 2.348 8.793 154 2HD1 ILE 20 2HD1 ILE 20 -9.303 0.762 7.994 155 3HD1 ILE 20 3HD1 ILE 20 -7.860 1.482 8.747 156 H TYR 21 H TYR 21 -7.545 1.315 2.272 157 HA TYR 21 HA TYR 21 -6.446 -1.411 2.277 158 1HB TYR 21 1HB TYR 21 -8.111 0.168 0.226 159 2HB TYR 21 2HB TYR 21 -7.229 -1.276 -0.229 160 HD1 TYR 21 1HD TYR 21 -10.204 -0.925 -0.536 161 HD2 TYR 21 2HD TYR 21 -7.879 -2.534 2.675 162 HE1 TYR 21 1HE TYR 21 -12.176 -2.360 0.183 163 HE2 TYR 21 2HE TYR 21 -9.859 -3.963 3.383 164 HH TYR 21 HH TYR 21 -12.240 -3.960 3.185 165 H VAL 22 H VAL 22 -4.345 -1.533 1.633 166 HA VAL 22 HA VAL 22 -3.229 0.895 0.421 167 HB VAL 22 HB VAL 22 -1.776 -1.322 1.867 168 1HG1 VAL 22 1HG1 VAL 22 -0.217 0.826 2.185 169 2HG1 VAL 22 2HG1 VAL 22 -0.105 -0.228 0.755 170 3HG1 VAL 22 3HG1 VAL 22 -1.011 1.302 0.665 171 1HG2 VAL 22 1HG2 VAL 22 -2.478 1.351 3.089 172 2HG2 VAL 22 2HG2 VAL 22 -3.546 -0.064 3.249 173 3HG2 VAL 22 3HG2 VAL 22 -1.886 -0.125 3.888 174 H ALA 23 H ALA 23 -1.060 0.170 -0.880 175 HA ALA 23 HA ALA 23 -1.717 -2.178 -2.492 176 1HB ALA 23 1HB ALA 23 -2.716 -0.342 -3.710 177 2HB ALA 23 2HB ALA 23 -1.250 0.649 -3.515 178 3HB ALA 23 3HB ALA 23 -1.213 -0.802 -4.545 179 H ILE 24 H ILE 24 0.085 -3.357 -3.080 180 HA ILE 24 HA ILE 24 2.677 -2.075 -2.916 181 HB ILE 24 HB ILE 24 1.764 -4.255 -1.062 182 1HG1 ILE 24 1HG1 ILE 24 3.064 -1.549 -0.739 183 2HG1 ILE 24 2HG1 ILE 24 1.528 -2.105 -0.104 184 1HG2 ILE 24 1HG2 ILE 24 4.577 -3.668 -1.997 185 2HG2 ILE 24 2HG2 ILE 24 4.217 -4.479 -0.454 186 3HG2 ILE 24 3HG2 ILE 24 3.709 -5.222 -1.989 187 1HD1 ILE 24 1HD1 ILE 24 4.322 -2.795 0.824 188 2HD1 ILE 24 2HD1 ILE 24 2.919 -2.266 1.782 189 3HD1 ILE 24 3HD1 ILE 24 2.984 -3.926 1.142 190 H LYS 25 H LYS 25 3.451 -2.502 -4.914 191 HA LYS 25 HA LYS 25 4.185 -3.676 -6.640 192 1HB LYS 25 1HB LYS 25 3.385 -6.270 -5.324 193 2HB LYS 25 2HB LYS 25 4.673 -5.976 -6.474 194 1HG LYS 25 1HG LYS 25 4.768 -4.456 -3.876 195 2HG LYS 25 2HG LYS 25 5.133 -6.168 -3.819 196 1HD LYS 25 1HD LYS 25 6.487 -4.212 -5.735 197 2HD LYS 25 2HD LYS 25 7.156 -4.670 -4.181 198 1HE LYS 25 1HE LYS 25 7.688 -6.828 -4.878 199 2HE LYS 25 2HE LYS 25 6.343 -6.920 -5.998 200 1HZ LYS 25 1HZ LYS 25 8.343 -4.952 -6.626 201 2HZ LYS 25 2HZ LYS 25 8.829 -6.506 -6.747 202 3HZ LYS 25 3HZ LYS 25 7.547 -5.982 -7.612 203 H GLY 26 H GLY 26 1.202 -2.979 -5.898 204 1HA GLY 26 1HA GLY 26 -0.486 -2.765 -7.489 205 2HA GLY 26 2HA GLY 26 0.123 -4.163 -8.352 206 H ARG 27 H ARG 27 0.159 -4.748 -4.971 207 HA ARG 27 HA ARG 27 -2.316 -6.237 -5.274 208 1HB ARG 27 1HB ARG 27 0.037 -7.317 -4.667 209 2HB ARG 27 2HB ARG 27 -0.299 -6.717 -3.055 210 1HG ARG 27 1HG ARG 27 -2.590 -7.904 -3.236 211 2HG ARG 27 2HG ARG 27 -1.970 -8.683 -4.678 212 1HD ARG 27 1HD ARG 27 -0.099 -8.835 -2.381 213 2HD ARG 27 2HD ARG 27 -1.637 -9.613 -2.067 214 HE ARG 27 HE ARG 27 -0.608 -10.334 -4.687 215 1HH1 ARG 27 2HH2 ARG 27 -0.300 -11.031 -1.252 216 2HH1 ARG 27 1HH2 ARG 27 0.291 -12.640 -1.501 217 1HH2 ARG 27 2HH1 ARG 27 0.170 -12.457 -5.016 218 2HH2 ARG 27 1HH1 ARG 27 0.560 -13.457 -3.656 219 H VAL 28 H VAL 28 -4.065 -5.732 -3.953 220 HA VAL 28 HA VAL 28 -3.729 -3.497 -2.158 221 HB VAL 28 HB VAL 28 -6.034 -5.036 -3.311 222 1HG1 VAL 28 1HG1 VAL 28 -6.875 -4.786 -1.146 223 2HG1 VAL 28 2HG1 VAL 28 -6.067 -3.218 -0.905 224 3HG1 VAL 28 3HG1 VAL 28 -7.477 -3.336 -1.985 225 1HG2 VAL 28 1HG2 VAL 28 -6.599 -2.444 -3.726 226 2HG2 VAL 28 2HG2 VAL 28 -4.827 -2.327 -3.602 227 3HG2 VAL 28 3HG2 VAL 28 -5.566 -3.394 -4.821 228 H PHE 29 H PHE 29 -3.323 -3.689 -0.019 229 HA PHE 29 HA PHE 29 -3.928 -6.294 1.192 230 1HB PHE 29 1HB PHE 29 -1.775 -4.149 1.608 231 2HB PHE 29 2HB PHE 29 -2.061 -5.378 2.824 232 HD1 PHE 29 1HD PHE 29 -2.118 -7.869 1.792 233 HD2 PHE 29 2HD PHE 29 -0.084 -4.550 0.102 234 HE1 PHE 29 1HE PHE 29 -0.579 -9.433 0.573 235 HE2 PHE 29 2HE PHE 29 1.455 -6.114 -1.117 236 HZ PHE 29 HZ PHE 29 1.189 -8.537 -0.867 237 H ASP 30 H ASP 30 -4.435 -6.209 3.574 238 HA ASP 30 HA ASP 30 -6.083 -3.866 4.042 239 1HB ASP 30 1HB ASP 30 -7.509 -5.655 4.385 240 2HB ASP 30 2HB ASP 30 -6.205 -6.754 4.786 241 H VAL 31 H VAL 31 -5.487 -2.440 5.702 242 HA VAL 31 HA VAL 31 -3.546 -3.437 7.666 243 HB VAL 31 HB VAL 31 -2.347 -1.369 7.548 244 1HG1 VAL 31 1HG1 VAL 31 -2.259 -3.297 5.629 245 2HG1 VAL 31 2HG1 VAL 31 -2.535 -1.849 4.632 246 3HG1 VAL 31 3HG1 VAL 31 -1.131 -1.923 5.724 247 1HG2 VAL 31 1HG2 VAL 31 -3.795 0.368 7.122 248 2HG2 VAL 31 2HG2 VAL 31 -3.029 0.196 5.525 249 3HG2 VAL 31 3HG2 VAL 31 -4.639 -0.504 5.820 250 H THR 32 H THR 32 -6.658 -2.590 7.185 251 HA THR 32 HA THR 32 -7.232 -0.515 8.907 252 HB THR 32 HB THR 32 -9.119 -1.211 7.758 253 HG1 THR 32 1HG THR 32 -10.343 -1.916 9.474 254 1HG2 THR 32 1HG2 THR 32 -8.479 -3.109 6.518 255 2HG2 THR 32 2HG2 THR 32 -7.822 -3.941 7.947 256 3HG2 THR 32 3HG2 THR 32 -9.582 -3.853 7.700 257 H THR 33 H THR 33 -5.999 -3.711 9.636 258 HA THR 33 HA THR 33 -6.957 -4.039 12.218 259 HB THR 33 HB THR 33 -5.803 -5.826 11.039 260 HG1 THR 33 1HG THR 33 -4.521 -6.344 12.841 261 1HG2 THR 33 1HG2 THR 33 -3.840 -5.553 9.890 262 2HG2 THR 33 2HG2 THR 33 -4.044 -3.803 10.145 263 3HG2 THR 33 3HG2 THR 33 -3.068 -4.761 11.285 264 H GLY 34 H GLY 34 -5.114 -1.456 11.004 265 1HA GLY 34 1HA GLY 34 -4.610 -0.541 13.725 266 2HA GLY 34 2HA GLY 34 -3.204 -0.751 12.702 267 H LYS 35 H LYS 35 -6.569 0.398 11.950 268 HA LYS 35 HA LYS 35 -5.838 2.284 10.116 269 1HB LYS 35 1HB LYS 35 -8.037 2.882 10.115 270 2HB LYS 35 2HB LYS 35 -8.168 1.352 10.958 271 1HG LYS 35 1HG LYS 35 -7.985 2.618 13.157 272 2HG LYS 35 2HG LYS 35 -8.024 4.116 12.249 273 1HD LYS 35 1HD LYS 35 -10.239 3.236 11.205 274 2HD LYS 35 2HD LYS 35 -10.216 2.013 12.460 275 1HE LYS 35 1HE LYS 35 -10.301 3.691 14.221 276 2HE LYS 35 2HE LYS 35 -10.000 4.991 13.085 277 1HZ LYS 35 1HZ LYS 35 -12.275 4.979 13.437 278 2HZ LYS 35 2HZ LYS 35 -12.120 4.237 11.991 279 3HZ LYS 35 3HZ LYS 35 -12.413 3.355 13.334 280 H SER 36 H SER 36 -5.438 2.317 13.599 281 HA SER 36 HA SER 36 -5.428 5.024 14.046 282 1HB SER 36 1HB SER 36 -5.185 2.945 15.660 283 2HB SER 36 2HB SER 36 -3.464 3.177 15.425 284 HG SER 36 HG SER 36 -3.844 5.476 16.084 285 H PHE 37 H PHE 37 -3.269 3.047 12.177 286 HA PHE 37 HA PHE 37 -1.209 5.131 12.287 287 1HB PHE 37 1HB PHE 37 -1.262 2.188 11.390 288 2HB PHE 37 2HB PHE 37 0.147 3.211 11.197 289 HD1 PHE 37 1HD PHE 37 -0.731 0.602 12.987 290 HD2 PHE 37 2HD PHE 37 0.287 4.655 13.724 291 HE1 PHE 37 1HE PHE 37 0.031 -0.010 15.299 292 HE2 PHE 37 2HE PHE 37 1.050 4.043 16.036 293 HZ PHE 37 HZ PHE 37 0.913 1.718 16.795 294 H TYR 38 H TYR 38 -3.144 3.011 10.085 295 HA TYR 38 HA TYR 38 -2.218 4.540 7.797 296 1HB TYR 38 1HB TYR 38 -3.481 1.943 8.504 297 2HB TYR 38 2HB TYR 38 -4.313 2.696 7.158 298 HD1 TYR 38 1HD TYR 38 -1.671 0.558 8.049 299 HD2 TYR 38 2HD TYR 38 -2.694 3.613 5.234 300 HE1 TYR 38 1HE TYR 38 0.116 -0.300 6.457 301 HE2 TYR 38 2HE TYR 38 -0.905 2.744 3.651 302 HH TYR 38 HH TYR 38 1.454 1.283 4.231 303 H GLY 39 H GLY 39 -5.175 3.988 9.768 304 1HA GLY 39 1HA GLY 39 -6.867 5.523 8.032 305 2HA GLY 39 2HA GLY 39 -7.242 4.908 9.630 306 H SER 40 H SER 40 -8.084 7.474 8.896 307 HA SER 40 HA SER 40 -7.864 9.631 9.275 308 1HB SER 40 1HB SER 40 -8.723 8.887 11.410 309 2HB SER 40 2HB SER 40 -7.133 8.394 11.957 310 HG SER 40 HG SER 40 -7.840 10.470 12.843 311 H GLY 41 H GLY 41 -5.662 9.012 7.815 312 1HA GLY 41 1HA GLY 41 -3.431 9.348 7.492 313 2HA GLY 41 2HA GLY 41 -3.865 10.949 8.055 314 H GLY 42 H GLY 42 -2.400 7.830 8.926 315 1HA GLY 42 1HA GLY 42 -1.323 9.102 11.370 316 2HA GLY 42 2HA GLY 42 -1.898 7.447 11.349 317 H ASP 43 H ASP 43 0.059 6.381 11.761 318 HA ASP 43 HA ASP 43 2.506 6.938 11.020 319 1HB ASP 43 1HB ASP 43 1.235 4.691 11.964 320 2HB ASP 43 2HB ASP 43 1.743 4.113 10.390 321 H TYR 44 H TYR 44 -0.005 5.348 8.943 322 HA TYR 44 HA TYR 44 1.754 5.789 6.626 323 1HB TYR 44 1HB TYR 44 -0.669 3.937 6.767 324 2HB TYR 44 2HB TYR 44 0.752 3.765 5.756 325 HD1 TYR 44 1HD TYR 44 3.034 3.421 7.141 326 HD2 TYR 44 2HD TYR 44 -0.890 2.506 8.581 327 HE1 TYR 44 1HE TYR 44 4.023 1.788 8.820 328 HE2 TYR 44 2HE TYR 44 0.113 0.876 10.255 329 HH TYR 44 HH TYR 44 3.587 0.202 10.256 330 H SER 45 H SER 45 0.489 8.055 7.345 331 HA SER 45 HA SER 45 -2.148 8.215 6.418 332 1HB SER 45 1HB SER 45 -1.946 10.574 6.799 333 2HB SER 45 2HB SER 45 -0.991 9.795 8.044 334 HG SER 45 HG SER 45 -0.165 11.665 6.346 335 H MET 46 H MET 46 1.071 8.518 4.927 336 HA MET 46 HA MET 46 0.022 9.709 2.556 337 1HB MET 46 1HB MET 46 2.438 9.268 1.761 338 2HB MET 46 2HB MET 46 2.301 10.273 3.190 339 1HG MET 46 1HG MET 46 2.468 7.338 3.729 340 2HG MET 46 2HG MET 46 3.908 8.042 3.022 341 1HE MET 46 1HE MET 46 4.200 10.604 3.619 342 2HE MET 46 2HE MET 46 3.091 11.295 4.827 343 3HE MET 46 3HE MET 46 4.778 10.938 5.269 344 H PHE 47 H PHE 47 0.705 6.463 3.796 345 HA PHE 47 HA PHE 47 0.663 5.255 1.195 346 1HB PHE 47 1HB PHE 47 0.355 4.088 4.025 347 2HB PHE 47 2HB PHE 47 0.822 3.183 2.600 348 HD1 PHE 47 1HD PHE 47 2.572 5.853 1.819 349 HD2 PHE 47 2HD PHE 47 2.440 3.068 5.017 350 HE1 PHE 47 1HE PHE 47 4.988 6.313 2.319 351 HE2 PHE 47 2HE PHE 47 4.856 3.528 5.518 352 HZ PHE 47 HZ PHE 47 6.101 5.145 4.162 353 H ALA 48 H ALA 48 -1.600 5.824 3.917 354 HA ALA 48 HA ALA 48 -3.588 4.079 3.427 355 1HB ALA 48 1HB ALA 48 -3.961 7.051 3.973 356 2HB ALA 48 2HB ALA 48 -5.076 5.733 4.406 357 3HB ALA 48 3HB ALA 48 -3.488 5.852 5.201 358 H GLY 49 H GLY 49 -4.704 3.476 1.645 359 1HA GLY 49 1HA GLY 49 -5.695 3.558 -0.369 360 2HA GLY 49 2HA GLY 49 -6.037 5.246 -0.048 361 H LYS 50 H LYS 50 -2.767 3.743 -0.247 362 HA LYS 50 HA LYS 50 -2.358 4.727 -2.910 363 1HB LYS 50 1HB LYS 50 -0.860 6.034 -0.618 364 2HB LYS 50 2HB LYS 50 -0.536 6.271 -2.324 365 1HG LYS 50 1HG LYS 50 -2.947 7.067 -2.593 366 2HG LYS 50 2HG LYS 50 -3.113 6.988 -0.850 367 1HD LYS 50 1HD LYS 50 -2.265 9.088 -0.742 368 2HD LYS 50 2HD LYS 50 -0.719 8.435 -1.247 369 1HE LYS 50 1HE LYS 50 -1.743 8.612 -3.690 370 2HE LYS 50 2HE LYS 50 -2.868 9.732 -2.947 371 1HZ LYS 50 1HZ LYS 50 -0.807 10.837 -2.033 372 2HZ LYS 50 2HZ LYS 50 0.041 9.962 -3.120 373 3HZ LYS 50 3HZ LYS 50 -1.094 11.019 -3.631 374 H ASP 51 H ASP 51 -0.435 3.847 -3.862 375 HA ASP 51 HA ASP 51 0.365 1.462 -2.508 376 1HB ASP 51 1HB ASP 51 -0.104 1.385 -4.916 377 2HB ASP 51 2HB ASP 51 1.055 2.662 -5.228 378 H ALA 52 H ALA 52 1.692 2.306 -0.744 379 HA ALA 52 HA ALA 52 3.862 4.088 -1.368 380 1HB ALA 52 1HB ALA 52 2.457 4.068 0.766 381 2HB ALA 52 2HB ALA 52 3.329 2.583 1.216 382 3HB ALA 52 3HB ALA 52 4.222 4.107 0.995 383 H SER 53 H SER 53 4.282 2.082 -3.082 384 HA SER 53 HA SER 53 5.753 -0.029 -1.894 385 1HB SER 53 1HB SER 53 6.367 -0.448 -4.390 386 2HB SER 53 2HB SER 53 4.692 -0.634 -3.907 387 HG SER 53 HG SER 53 5.915 1.419 -5.469 388 H ARG 54 H ARG 54 6.515 2.946 -3.820 389 HA ARG 54 HA ARG 54 9.253 2.486 -3.861 390 1HB ARG 54 1HB ARG 54 8.135 5.298 -3.877 391 2HB ARG 54 2HB ARG 54 9.405 4.617 -4.874 392 1HG ARG 54 1HG ARG 54 7.465 3.069 -5.818 393 2HG ARG 54 2HG ARG 54 6.404 4.298 -5.157 394 1HD ARG 54 1HD ARG 54 7.122 4.610 -7.617 395 2HD ARG 54 2HD ARG 54 7.296 6.008 -6.576 396 HE ARG 54 HE ARG 54 9.684 4.285 -6.735 397 1HH1 ARG 54 2HH2 ARG 54 8.008 7.102 -8.016 398 2HH1 ARG 54 1HH2 ARG 54 9.440 7.807 -8.688 399 1HH2 ARG 54 2HH1 ARG 54 11.574 5.215 -7.622 400 2HH2 ARG 54 1HH1 ARG 54 11.482 6.727 -8.462 401 H ALA 55 H ALA 55 7.087 4.386 -1.676 402 HA ALA 55 HA ALA 55 9.079 5.581 -0.145 403 1HB ALA 55 1HB ALA 55 6.584 4.785 1.244 404 2HB ALA 55 2HB ALA 55 7.302 6.398 1.014 405 3HB ALA 55 3HB ALA 55 6.342 5.656 -0.289 406 H LEU 56 H LEU 56 7.430 2.382 0.110 407 HA LEU 56 HA LEU 56 8.531 1.657 2.563 408 1HB LEU 56 1HB LEU 56 7.200 0.312 0.289 409 2HB LEU 56 2HB LEU 56 8.182 -0.713 1.316 410 HG LEU 56 HG LEU 56 6.881 -0.138 3.265 411 1HD1 LEU 56 1HD1 LEU 56 5.797 1.782 3.480 412 2HD1 LEU 56 2HD1 LEU 56 6.230 2.201 1.805 413 3HD1 LEU 56 3HD1 LEU 56 4.705 1.348 2.142 414 1HD2 LEU 56 1HD2 LEU 56 4.508 -0.596 1.743 415 2HD2 LEU 56 2HD2 LEU 56 5.852 -1.482 0.982 416 3HD2 LEU 56 3HD2 LEU 56 5.469 -1.749 2.700 417 H GLY 57 H GLY 57 9.689 1.153 -0.827 418 1HA GLY 57 1HA GLY 57 11.952 -0.357 -0.224 419 2HA GLY 57 2HA GLY 57 11.727 0.661 -1.633 420 H LYS 58 H LYS 58 12.109 3.085 -1.334 421 HA LYS 58 HA LYS 58 14.643 3.506 -0.301 422 1HB LYS 58 1HB LYS 58 12.474 5.539 -0.904 423 2HB LYS 58 2HB LYS 58 14.181 5.887 -0.719 424 1HG LYS 58 1HG LYS 58 14.634 5.230 -2.848 425 2HG LYS 58 2HG LYS 58 13.806 3.702 -2.624 426 1HD LYS 58 1HD LYS 58 11.750 4.533 -3.395 427 2HD LYS 58 2HD LYS 58 12.117 6.182 -2.930 428 1HE LYS 58 1HE LYS 58 14.023 5.199 -4.941 429 2HE LYS 58 2HE LYS 58 12.372 5.059 -5.513 430 1HZ LYS 58 1HZ LYS 58 12.639 7.198 -5.988 431 2HZ LYS 58 2HZ LYS 58 12.374 7.479 -4.401 432 3HZ LYS 58 3HZ LYS 58 13.901 7.410 -4.974 433 H MET 59 H MET 59 11.474 3.509 1.237 434 HA MET 59 HA MET 59 10.888 3.654 3.328 435 1HB MET 59 1HB MET 59 13.915 3.712 3.812 436 2HB MET 59 2HB MET 59 12.754 3.658 5.123 437 1HG MET 59 1HG MET 59 11.911 1.496 4.418 438 2HG MET 59 2HG MET 59 12.744 1.593 2.879 439 1HE MET 59 1HE MET 59 13.492 -0.840 5.842 440 2HE MET 59 2HE MET 59 14.032 0.448 6.945 441 3HE MET 59 3HE MET 59 12.452 0.574 6.136 442 H SER 60 H SER 60 10.712 5.976 1.869 443 HA SER 60 HA SER 60 11.768 8.003 3.674 444 1HB SER 60 1HB SER 60 12.081 7.890 0.982 445 2HB SER 60 2HB SER 60 10.559 8.756 1.032 446 HG SER 60 HG SER 60 12.863 9.560 2.585 447 H LYS 61 H LYS 61 8.948 6.280 2.698 448 HA LYS 61 HA LYS 61 6.776 6.545 3.026 449 1HB LYS 61 1HB LYS 61 6.103 7.208 5.198 450 2HB LYS 61 2HB LYS 61 7.689 6.485 5.372 451 1HG LYS 61 1HG LYS 61 8.750 8.555 5.762 452 2HG LYS 61 2HG LYS 61 7.507 9.471 4.932 453 1HD LYS 61 1HD LYS 61 6.372 9.796 6.869 454 2HD LYS 61 2HD LYS 61 6.292 8.071 7.164 455 1HE LYS 61 1HE LYS 61 8.943 8.593 7.776 456 2HE LYS 61 2HE LYS 61 8.181 10.094 8.266 457 1HZ LYS 61 1HZ LYS 61 7.066 7.512 9.069 458 2HZ LYS 61 2HZ LYS 61 8.261 8.221 9.927 459 3HZ LYS 61 3HZ LYS 61 6.825 8.977 9.749 460 H ASN 62 H ASN 62 8.380 8.634 1.424 461 HA ASN 62 HA ASN 62 7.131 11.086 1.824 462 1HB ASN 62 1HB ASN 62 8.571 9.797 -0.534 463 2HB ASN 62 2HB ASN 62 7.865 11.393 -0.694 464 1HD2 ASN 62 1HD2 ASN 62 9.498 12.753 -0.702 465 2HD2 ASN 62 2HD2 ASN 62 10.757 12.871 0.482 466 H GLU 63 H GLU 63 5.248 11.992 0.799 467 HA GLU 63 HA GLU 63 3.311 10.130 0.012 468 1HB GLU 63 1HB GLU 63 3.191 12.612 1.055 469 2HB GLU 63 2HB GLU 63 2.992 13.052 -0.629 470 1HG GLU 63 1HG GLU 63 1.307 10.777 -0.179 471 2HG GLU 63 2HG GLU 63 1.055 11.858 1.177 472 H GLU 64 H GLU 64 5.837 11.832 -1.681 473 HA GLU 64 HA GLU 64 4.474 11.602 -4.207 474 1HB GLU 64 1HB GLU 64 7.347 12.493 -3.777 475 2HB GLU 64 2HB GLU 64 6.291 12.877 -5.122 476 1HG GLU 64 1HG GLU 64 5.123 13.686 -2.537 477 2HG GLU 64 2HG GLU 64 6.681 14.438 -2.815 478 H ASP 65 H ASP 65 6.673 9.817 -2.170 479 HA ASP 65 HA ASP 65 8.000 8.441 -4.225 480 1HB ASP 65 1HB ASP 65 7.650 8.150 -1.251 481 2HB ASP 65 2HB ASP 65 8.193 6.730 -2.122 482 H VAL 66 H VAL 66 5.176 7.772 -2.044 483 HA VAL 66 HA VAL 66 4.651 5.180 -2.778 484 HB VAL 66 HB VAL 66 3.377 5.812 -1.033 485 1HG1 VAL 66 1HG1 VAL 66 2.093 8.150 -1.185 486 2HG1 VAL 66 2HG1 VAL 66 3.786 8.029 -0.649 487 3HG1 VAL 66 3HG1 VAL 66 3.414 8.506 -2.323 488 1HG2 VAL 66 1HG2 VAL 66 1.247 6.808 -2.869 489 2HG2 VAL 66 2HG2 VAL 66 1.896 5.179 -3.174 490 3HG2 VAL 66 3HG2 VAL 66 1.176 5.569 -1.593 491 H SER 67 H SER 67 4.215 4.244 -4.701 492 HA SER 67 HA SER 67 2.671 5.821 -6.587 493 1HB SER 67 1HB SER 67 5.365 5.548 -6.932 494 2HB SER 67 2HB SER 67 4.823 4.090 -7.739 495 HG SER 67 HG SER 67 4.011 5.247 -9.362 496 HA PRO 68 HA PRO 68 0.583 1.992 -6.803 497 1HB PRO 68 1HB PRO 68 -1.175 2.564 -8.816 498 2HB PRO 68 2HB PRO 68 -1.440 3.035 -7.149 499 1HG PRO 68 1HG PRO 68 -0.613 4.711 -9.440 500 2HG PRO 68 2HG PRO 68 -1.286 5.210 -7.901 501 1HD PRO 68 1HD PRO 68 1.463 5.371 -8.706 502 2HD PRO 68 2HD PRO 68 0.808 5.762 -7.128 503 H SER 69 H SER 69 2.956 2.872 -8.706 504 HA SER 69 HA SER 69 2.689 0.400 -10.198 505 1HB SER 69 1HB SER 69 2.892 1.354 -12.271 506 2HB SER 69 2HB SER 69 2.186 2.743 -11.471 507 HG SER 69 HG SER 69 4.445 3.453 -11.017 508 H LEU 70 H LEU 70 4.523 -0.832 -9.937 509 HA LEU 70 HA LEU 70 6.499 -0.497 -8.293 510 1HB LEU 70 1HB LEU 70 6.668 -1.584 -11.097 511 2HB LEU 70 2HB LEU 70 8.002 -1.701 -9.966 512 HG LEU 70 HG LEU 70 5.235 -2.870 -9.557 513 1HD1 LEU 70 1HD1 LEU 70 6.111 -4.294 -11.116 514 2HD1 LEU 70 2HD1 LEU 70 7.794 -3.981 -10.629 515 3HD1 LEU 70 3HD1 LEU 70 6.759 -5.028 -9.629 516 1HD2 LEU 70 1HD2 LEU 70 6.656 -4.121 -7.705 517 2HD2 LEU 70 2HD2 LEU 70 7.616 -2.623 -7.772 518 3HD2 LEU 70 3HD2 LEU 70 5.879 -2.551 -7.390 519 H GLU 71 H GLU 71 6.701 0.849 -11.663 520 HA GLU 71 HA GLU 71 7.663 2.654 -12.414 521 1HB GLU 71 1HB GLU 71 7.211 3.354 -9.689 522 2HB GLU 71 2HB GLU 71 8.846 3.869 -10.050 523 1HG GLU 71 1HG GLU 71 6.498 4.509 -11.886 524 2HG GLU 71 2HG GLU 71 6.962 5.559 -10.562 525 H GLY 72 H GLY 72 10.119 3.983 -11.361 526 1HA GLY 72 1HA GLY 72 12.024 2.035 -12.327 527 2HA GLY 72 2HA GLY 72 12.313 3.717 -11.928 528 H LEU 73 H LEU 73 10.912 0.997 -9.967 529 HA LEU 73 HA LEU 73 12.212 1.776 -7.631 530 1HB LEU 73 1HB LEU 73 10.747 -0.637 -8.584 531 2HB LEU 73 2HB LEU 73 11.701 -0.781 -7.122 532 HG LEU 73 HG LEU 73 9.095 0.021 -7.235 533 1HD1 LEU 73 1HD1 LEU 73 10.614 1.175 -4.978 534 2HD1 LEU 73 2HD1 LEU 73 9.254 0.027 -4.991 535 3HD1 LEU 73 3HD1 LEU 73 10.909 -0.550 -5.304 536 1HD2 LEU 73 1HD2 LEU 73 10.534 2.597 -6.659 537 2HD2 LEU 73 2HD2 LEU 73 10.032 2.185 -8.316 538 3HD2 LEU 73 3HD2 LEU 73 8.815 2.312 -7.023 539 H THR 74 H THR 74 14.347 1.822 -7.209 540 HA THR 74 HA THR 74 16.167 0.319 -8.832 541 HB THR 74 HB THR 74 16.639 2.627 -8.017 542 HG1 THR 74 1HG THR 74 18.759 1.957 -7.098 543 1HG2 THR 74 1HG2 THR 74 17.414 2.693 -5.520 544 2HG2 THR 74 2HG2 THR 74 15.663 2.785 -5.828 545 3HG2 THR 74 3HG2 THR 74 16.396 1.248 -5.307 546 H GLU 75 H GLU 75 18.147 -0.604 -7.245 547 HA GLU 75 HA GLU 75 17.041 -3.032 -6.407 548 1HB GLU 75 1HB GLU 75 19.683 -1.871 -6.802 549 2HB GLU 75 2HB GLU 75 19.654 -2.784 -5.307 550 1HG GLU 75 1HG GLU 75 18.261 -4.456 -7.060 551 2HG GLU 75 2HG GLU 75 19.478 -3.746 -8.102 552 H LYS 76 H LYS 76 18.282 -0.119 -4.676 553 HA LYS 76 HA LYS 76 18.260 -1.086 -2.112 554 1HB LYS 76 1HB LYS 76 18.668 1.053 -1.538 555 2HB LYS 76 2HB LYS 76 18.823 1.287 -3.267 556 1HG LYS 76 1HG LYS 76 16.513 2.060 -3.450 557 2HG LYS 76 2HG LYS 76 16.171 1.605 -1.793 558 1HD LYS 76 1HD LYS 76 16.539 3.939 -1.644 559 2HD LYS 76 2HD LYS 76 18.069 3.261 -1.125 560 1HE LYS 76 1HE LYS 76 18.807 3.454 -3.618 561 2HE LYS 76 2HE LYS 76 17.391 4.462 -3.841 562 1HZ LYS 76 1HZ LYS 76 19.593 4.959 -1.962 563 2HZ LYS 76 2HZ LYS 76 19.244 5.815 -3.308 564 3HZ LYS 76 3HZ LYS 76 18.231 5.857 -2.028 565 H GLU 77 H GLU 77 15.531 0.315 -4.032 566 HA GLU 77 HA GLU 77 13.733 -0.170 -1.877 567 1HB GLU 77 1HB GLU 77 12.185 0.337 -4.146 568 2HB GLU 77 2HB GLU 77 12.730 1.530 -2.984 569 1HG GLU 77 1HG GLU 77 14.805 1.901 -4.316 570 2HG GLU 77 2HG GLU 77 14.299 0.678 -5.465 571 H ILE 78 H ILE 78 14.514 -1.632 -5.080 572 HA ILE 78 HA ILE 78 12.453 -3.441 -5.240 573 HB ILE 78 HB ILE 78 15.261 -3.337 -6.249 574 1HG1 ILE 78 1HG1 ILE 78 12.785 -2.389 -7.131 575 2HG1 ILE 78 2HG1 ILE 78 14.291 -2.421 -8.026 576 1HG2 ILE 78 1HG2 ILE 78 13.406 -5.704 -6.628 577 2HG2 ILE 78 2HG2 ILE 78 14.941 -5.428 -7.485 578 3HG2 ILE 78 3HG2 ILE 78 14.940 -5.699 -5.726 579 1HD1 ILE 78 1HD1 ILE 78 12.446 -3.543 -9.272 580 2HD1 ILE 78 2HD1 ILE 78 13.769 -4.675 -8.899 581 3HD1 ILE 78 3HD1 ILE 78 12.270 -4.709 -7.939 582 H ASN 79 H ASN 79 15.294 -3.389 -3.127 583 HA ASN 79 HA ASN 79 14.883 -6.127 -2.388 584 1HB ASN 79 1HB ASN 79 16.840 -3.937 -1.599 585 2HB ASN 79 2HB ASN 79 16.716 -5.377 -0.608 586 1HD2 ASN 79 1HD2 ASN 79 18.440 -4.011 -2.962 587 2HD2 ASN 79 2HD2 ASN 79 19.017 -5.387 -3.842 588 H THR 80 H THR 80 14.577 -2.779 -1.036 589 HA THR 80 HA THR 80 13.559 -3.706 1.482 590 HB THR 80 HB THR 80 13.729 -0.947 0.157 591 HG1 THR 80 1HG THR 80 15.673 -0.930 1.473 592 1HG2 THR 80 1HG2 THR 80 13.636 -0.122 2.524 593 2HG2 THR 80 2HG2 THR 80 12.118 -0.929 2.062 594 3HG2 THR 80 3HG2 THR 80 13.308 -1.781 3.076 595 H LEU 81 H LEU 81 12.155 -2.155 -1.468 596 HA LEU 81 HA LEU 81 9.560 -2.012 -0.495 597 1HB LEU 81 1HB LEU 81 10.272 -0.789 -2.423 598 2HB LEU 81 2HB LEU 81 10.666 -2.259 -3.290 599 HG LEU 81 HG LEU 81 8.338 -0.829 -3.529 600 1HD1 LEU 81 1HD1 LEU 81 8.894 -3.739 -4.147 601 2HD1 LEU 81 2HD1 LEU 81 7.489 -2.835 -4.762 602 3HD1 LEU 81 3HD1 LEU 81 9.137 -2.331 -5.207 603 1HD2 LEU 81 1HD2 LEU 81 6.546 -1.825 -2.452 604 2HD2 LEU 81 2HD2 LEU 81 7.460 -3.302 -2.064 605 3HD2 LEU 81 3HD2 LEU 81 7.791 -1.793 -1.180 606 H ASN 82 H ASN 82 11.025 -4.539 -2.664 607 HA ASN 82 HA ASN 82 8.906 -6.193 -2.758 608 1HB ASN 82 1HB ASN 82 11.895 -6.816 -2.619 609 2HB ASN 82 2HB ASN 82 10.708 -8.068 -2.932 610 1HD2 ASN 82 1HD2 ASN 82 11.149 -8.553 -4.985 611 2HD2 ASN 82 2HD2 ASN 82 11.026 -7.470 -6.332 612 H ASP 83 H ASP 83 11.448 -5.860 -0.215 613 HA ASP 83 HA ASP 83 10.709 -8.096 1.253 614 1HB ASP 83 1HB ASP 83 12.762 -7.319 1.963 615 2HB ASP 83 2HB ASP 83 12.353 -5.644 1.648 616 H TRP 84 H TRP 84 9.691 -4.640 1.225 617 HA TRP 84 HA TRP 84 8.246 -4.612 3.601 618 1HB TRP 84 1HB TRP 84 8.508 -2.956 1.200 619 2HB TRP 84 2HB TRP 84 6.914 -2.875 1.924 620 HD1 TRP 84 HD TRP 84 10.203 -1.261 2.232 621 HE1 TRP 84 1HE TRP 84 10.509 0.130 4.454 622 HE3 TRP 84 3HE TRP 84 6.185 -3.236 4.642 623 HZ2 TRP 84 2HZ TRP 84 9.068 0.245 6.914 624 HZ3 TRP 84 3HZ TRP 84 5.704 -2.430 6.951 625 HH2 TRP 84 HH TRP 84 7.070 -0.751 8.087 626 H GLU 85 H GLU 85 7.476 -5.709 0.267 627 HA GLU 85 HA GLU 85 4.748 -6.013 0.673 628 1HB GLU 85 1HB GLU 85 5.471 -6.022 -1.575 629 2HB GLU 85 2HB GLU 85 6.754 -7.175 -1.269 630 1HG GLU 85 1HG GLU 85 4.786 -8.825 -0.640 631 2HG GLU 85 2HG GLU 85 3.774 -7.691 -1.512 632 H THR 86 H THR 86 7.529 -8.292 1.069 633 HA THR 86 HA THR 86 5.968 -10.531 1.737 634 HB THR 86 HB THR 86 8.859 -9.655 2.080 635 HG1 THR 86 1HG THR 86 7.414 -11.872 0.808 636 1HG2 THR 86 1HG2 THR 86 9.156 -11.221 3.728 637 2HG2 THR 86 2HG2 THR 86 7.472 -11.779 3.585 638 3HG2 THR 86 3HG2 THR 86 8.724 -12.441 2.507 639 H LYS 87 H LYS 87 6.856 -7.651 3.536 640 HA LYS 87 HA LYS 87 6.281 -8.926 6.066 641 1HB LYS 87 1HB LYS 87 6.923 -6.033 5.420 642 2HB LYS 87 2HB LYS 87 6.845 -6.744 7.020 643 1HG LYS 87 1HG LYS 87 8.795 -8.053 6.685 644 2HG LYS 87 2HG LYS 87 8.669 -7.978 4.939 645 1HD LYS 87 1HD LYS 87 9.807 -5.996 4.817 646 2HD LYS 87 2HD LYS 87 8.936 -5.303 6.170 647 1HE LYS 87 1HE LYS 87 10.798 -7.491 6.938 648 2HE LYS 87 2HE LYS 87 11.595 -6.101 6.229 649 1HZ LYS 87 1HZ LYS 87 9.816 -5.002 7.918 650 2HZ LYS 87 2HZ LYS 87 10.294 -6.329 8.741 651 3HZ LYS 87 3HZ LYS 87 11.400 -5.236 8.240 652 H PHE 88 H PHE 88 4.775 -6.717 3.681 653 HA PHE 88 HA PHE 88 2.547 -6.165 5.379 654 1HB PHE 88 1HB PHE 88 3.668 -5.490 2.712 655 2HB PHE 88 2HB PHE 88 1.928 -5.680 2.636 656 HD1 PHE 88 1HD PHE 88 0.855 -3.650 2.667 657 HD2 PHE 88 2HD PHE 88 4.268 -4.168 5.134 658 HE1 PHE 88 1HE PHE 88 0.562 -1.323 3.560 659 HE2 PHE 88 2HE PHE 88 3.976 -1.841 6.027 660 HZ PHE 88 HZ PHE 88 2.126 -0.446 5.230 661 H GLU 89 H GLU 89 3.179 -8.251 2.485 662 HA GLU 89 HA GLU 89 0.536 -9.182 2.386 663 1HB GLU 89 1HB GLU 89 1.262 -9.991 0.408 664 2HB GLU 89 2HB GLU 89 2.854 -9.364 0.789 665 1HG GLU 89 1HG GLU 89 1.835 -12.123 1.621 666 2HG GLU 89 2HG GLU 89 2.864 -11.821 0.235 667 H ALA 90 H ALA 90 3.250 -9.891 4.430 668 HA ALA 90 HA ALA 90 2.080 -12.474 5.178 669 1HB ALA 90 1HB ALA 90 4.779 -11.336 5.981 670 2HB ALA 90 2HB ALA 90 4.231 -13.027 6.062 671 3HB ALA 90 3HB ALA 90 4.532 -12.264 4.483 672 H LYS 91 H LYS 91 1.002 -9.719 5.824 673 HA LYS 91 HA LYS 91 0.731 -10.203 8.652 674 1HB LYS 91 1HB LYS 91 2.084 -7.722 7.579 675 2HB LYS 91 2HB LYS 91 1.271 -7.743 9.131 676 1HG LYS 91 1HG LYS 91 2.722 -9.920 9.566 677 2HG LYS 91 2HG LYS 91 3.716 -9.309 8.258 678 1HD LYS 91 1HD LYS 91 3.654 -7.033 9.603 679 2HD LYS 91 2HD LYS 91 3.154 -8.032 10.953 680 1HE LYS 91 1HE LYS 91 5.285 -8.733 11.292 681 2HE LYS 91 2HE LYS 91 5.398 -9.319 9.644 682 1HZ LYS 91 1HZ LYS 91 5.865 -7.007 8.986 683 2HZ LYS 91 2HZ LYS 91 5.919 -6.579 10.561 684 3HZ LYS 91 3HZ LYS 91 7.007 -7.642 9.966 685 H TYR 92 H TYR 92 0.061 -8.073 5.809 686 HA TYR 92 HA TYR 92 -2.589 -7.541 6.912 687 1HB TYR 92 1HB TYR 92 -0.873 -6.550 4.556 688 2HB TYR 92 2HB TYR 92 -2.524 -6.007 4.781 689 HD1 TYR 92 1HD TYR 92 -2.591 -5.688 7.764 690 HD2 TYR 92 2HD TYR 92 0.392 -4.599 4.897 691 HE1 TYR 92 1HE TYR 92 -1.769 -3.844 9.309 692 HE2 TYR 92 2HE TYR 92 1.204 -2.759 6.452 693 HH TYR 92 HH TYR 92 0.680 -2.647 9.537 694 HA PRO 93 HA PRO 93 -4.342 -10.456 4.213 695 1HB PRO 93 1HB PRO 93 -6.979 -9.839 4.579 696 2HB PRO 93 2HB PRO 93 -6.074 -10.865 5.674 697 1HG PRO 93 1HG PRO 93 -6.926 -8.058 6.043 698 2HG PRO 93 2HG PRO 93 -6.411 -9.217 7.252 699 1HD PRO 93 1HD PRO 93 -4.868 -7.046 6.189 700 2HD PRO 93 2HD PRO 93 -4.316 -8.273 7.311 701 H VAL 94 H VAL 94 -4.845 -10.727 2.083 702 HA VAL 94 HA VAL 94 -4.963 -8.211 0.654 703 HB VAL 94 HB VAL 94 -4.766 -11.077 -0.296 704 1HG1 VAL 94 1HG1 VAL 94 -4.620 -10.350 -2.449 705 2HG1 VAL 94 2HG1 VAL 94 -5.635 -9.033 -1.812 706 3HG1 VAL 94 3HG1 VAL 94 -3.880 -8.796 -1.994 707 1HG2 VAL 94 1HG2 VAL 94 -2.514 -9.075 -0.326 708 2HG2 VAL 94 2HG2 VAL 94 -2.861 -10.028 1.138 709 3HG2 VAL 94 3HG2 VAL 94 -2.449 -10.853 -0.385 710 H VAL 95 H VAL 95 -6.925 -7.258 0.447 711 HA VAL 95 HA VAL 95 -9.286 -8.937 0.424 712 HB VAL 95 HB VAL 95 -10.489 -6.853 0.617 713 1HG1 VAL 95 1HG1 VAL 95 -8.862 -5.922 2.636 714 2HG1 VAL 95 2HG1 VAL 95 -10.029 -7.258 2.780 715 3HG1 VAL 95 3HG1 VAL 95 -8.315 -7.605 2.449 716 1HG2 VAL 95 1HG2 VAL 95 -8.686 -5.651 -0.888 717 2HG2 VAL 95 2HG2 VAL 95 -9.626 -4.736 0.314 718 3HG2 VAL 95 3HG2 VAL 95 -7.960 -5.239 0.684 719 H GLY 96 H GLY 96 -7.066 -7.437 -1.786 720 1HA GLY 96 1HA GLY 96 -8.393 -8.495 -4.047 721 2HA GLY 96 2HA GLY 96 -8.715 -6.777 -3.929 722 H ARG 97 H ARG 97 -7.412 -7.166 -6.126 723 HA ARG 97 HA ARG 97 -4.634 -6.641 -5.438 724 1HB ARG 97 1HB ARG 97 -4.236 -8.622 -6.551 725 2HB ARG 97 2HB ARG 97 -5.798 -8.606 -7.345 726 1HG ARG 97 1HG ARG 97 -4.407 -8.247 -9.181 727 2HG ARG 97 2HG ARG 97 -4.753 -6.588 -8.733 728 1HD ARG 97 1HD ARG 97 -2.471 -6.353 -8.723 729 2HD ARG 97 2HD ARG 97 -2.574 -7.071 -7.127 730 HE ARG 97 HE ARG 97 -2.486 -9.163 -9.096 731 1HH1 ARG 97 2HH2 ARG 97 -0.428 -6.729 -7.606 732 2HH1 ARG 97 1HH2 ARG 97 1.032 -7.627 -7.855 733 1HH2 ARG 97 2HH1 ARG 97 -0.560 -10.348 -9.425 734 2HH2 ARG 97 1HH1 ARG 97 0.957 -9.699 -8.897 735 H VAL 98 H VAL 98 -3.879 -4.686 -6.232 736 HA VAL 98 HA VAL 98 -5.604 -2.900 -7.474 737 HB VAL 98 HB VAL 98 -2.591 -2.977 -7.251 738 1HG1 VAL 98 1HG1 VAL 98 -3.289 -1.502 -9.101 739 2HG1 VAL 98 2HG1 VAL 98 -4.373 -0.630 -7.990 740 3HG1 VAL 98 3HG1 VAL 98 -2.612 -0.580 -7.737 741 1HG2 VAL 98 1HG2 VAL 98 -3.018 -1.304 -5.427 742 2HG2 VAL 98 2HG2 VAL 98 -4.755 -1.656 -5.585 743 3HG2 VAL 98 3HG2 VAL 98 -3.629 -2.940 -5.085 744 H VAL 99 H VAL 99 -5.630 -2.025 -9.640 745 HA VAL 99 HA VAL 99 -4.261 -3.632 -11.646 746 HB VAL 99 HB VAL 99 -6.731 -3.314 -12.776 747 1HG1 VAL 99 1HG1 VAL 99 -5.545 -5.320 -13.084 748 2HG1 VAL 99 2HG1 VAL 99 -5.444 -5.637 -11.335 749 3HG1 VAL 99 3HG1 VAL 99 -7.001 -5.804 -12.181 750 1HG2 VAL 99 1HG2 VAL 99 -7.157 -4.031 -9.856 751 2HG2 VAL 99 2HG2 VAL 99 -7.763 -2.583 -10.694 752 3HG2 VAL 99 3HG2 VAL 99 -8.374 -4.193 -11.145 753 H SER 100 H SER 100 -6.480 -0.858 -10.927 754 HA SER 100 HA SER 100 -6.660 1.119 -11.822 755 1HB SER 100 1HB SER 100 -4.406 1.246 -10.642 756 2HB SER 100 2HB SER 100 -3.637 0.979 -12.194 757 HG SER 100 HG SER 100 -5.345 2.953 -12.661
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