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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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5170 |
1gjs ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 35.504 -5.801 2.151 2 H2 MET 1 H2 MET 1 36.047 -5.418 3.715 3 H3 MET 1 H3 MET 1 35.936 -7.040 3.225 4 HA MET 1 HA MET 1 34.031 -6.892 4.435 5 1HB MET 1 1HB MET 1 32.691 -4.827 4.576 6 2HB MET 1 2HB MET 1 34.375 -4.507 4.999 7 1HG MET 1 1HG MET 1 34.756 -3.803 2.606 8 2HG MET 1 2HG MET 1 33.015 -3.929 2.355 9 1HE MET 1 1HE MET 1 35.802 -2.655 4.442 10 2HE MET 1 2HE MET 1 35.789 -1.365 3.230 11 3HE MET 1 3HE MET 1 35.393 -1.010 4.910 12 H LYS 2 H LYS 2 34.629 -6.482 1.164 13 HA LYS 2 HA LYS 2 31.954 -6.338 0.117 14 1HB LYS 2 1HB LYS 2 34.521 -7.451 -1.048 15 2HB LYS 2 2HB LYS 2 33.015 -7.325 -1.958 16 1HG LYS 2 1HG LYS 2 32.962 -4.893 -1.537 17 2HG LYS 2 2HG LYS 2 34.474 -5.017 -0.637 18 1HD LYS 2 1HD LYS 2 34.130 -5.801 -3.548 19 2HD LYS 2 2HD LYS 2 34.818 -4.274 -2.996 20 1HE LYS 2 1HE LYS 2 36.765 -5.508 -3.276 21 2HE LYS 2 2HE LYS 2 36.410 -5.909 -1.595 22 1HZ LYS 2 1HZ LYS 2 34.976 -7.636 -3.291 23 2HZ LYS 2 2HZ LYS 2 36.609 -7.639 -3.763 24 3HZ LYS 2 3HZ LYS 2 36.184 -8.020 -2.163 25 H ALA 3 H ALA 3 30.487 -7.972 -0.328 26 HA ALA 3 HA ALA 3 31.241 -10.790 -0.158 27 1HB ALA 3 1HB ALA 3 29.464 -9.554 1.968 28 2HB ALA 3 2HB ALA 3 31.050 -10.283 2.227 29 3HB ALA 3 3HB ALA 3 29.689 -11.287 1.729 30 H ILE 4 H ILE 4 28.685 -8.350 -0.271 31 HA ILE 4 HA ILE 4 26.809 -10.222 -1.570 32 HB ILE 4 HB ILE 4 26.578 -7.260 -0.959 33 1HG1 ILE 4 1HG1 ILE 4 25.313 -9.626 0.452 34 2HG1 ILE 4 2HG1 ILE 4 26.793 -8.845 1.010 35 1HG2 ILE 4 1HG2 ILE 4 24.578 -9.316 -1.936 36 2HG2 ILE 4 2HG2 ILE 4 24.118 -7.746 -1.282 37 3HG2 ILE 4 3HG2 ILE 4 25.078 -7.838 -2.759 38 1HD1 ILE 4 1HD1 ILE 4 25.559 -6.678 1.119 39 2HD1 ILE 4 2HD1 ILE 4 24.080 -7.531 0.676 40 3HD1 ILE 4 3HD1 ILE 4 24.887 -7.896 2.201 41 H PHE 5 H PHE 5 26.361 -10.233 -3.753 42 HA PHE 5 HA PHE 5 28.258 -9.110 -5.585 43 1HB PHE 5 1HB PHE 5 26.824 -11.137 -6.017 44 2HB PHE 5 2HB PHE 5 25.445 -10.056 -6.212 45 HD1 PHE 5 HD1 PHE 5 25.135 -8.784 -8.214 46 HD2 PHE 5 HD2 PHE 5 28.786 -10.950 -7.575 47 HE1 PHE 5 HE1 PHE 5 25.795 -8.360 -10.567 48 HE2 PHE 5 HE2 PHE 5 29.446 -10.532 -9.929 49 HZ PHE 5 HZ PHE 5 27.950 -9.237 -11.425 50 H VAL 6 H VAL 6 27.980 -7.339 -7.062 51 HA VAL 6 HA VAL 6 26.927 -4.969 -6.010 52 HB VAL 6 HB VAL 6 27.215 -5.709 -8.938 53 1HG1 VAL 6 1HG1 VAL 6 26.916 -3.062 -7.500 54 2HG1 VAL 6 2HG1 VAL 6 27.532 -3.194 -9.148 55 3HG1 VAL 6 3HG1 VAL 6 25.888 -3.717 -8.775 56 1HG2 VAL 6 1HG2 VAL 6 29.124 -4.387 -6.982 57 2HG2 VAL 6 2HG2 VAL 6 29.296 -6.006 -7.663 58 3HG2 VAL 6 3HG2 VAL 6 29.421 -4.591 -8.708 59 H LEU 7 H LEU 7 25.381 -6.992 -8.540 60 HA LEU 7 HA LEU 7 22.870 -5.511 -8.241 61 1HB LEU 7 1HB LEU 7 23.638 -6.459 -10.423 62 2HB LEU 7 2HB LEU 7 23.434 -8.077 -9.763 63 HG LEU 7 HG LEU 7 21.068 -6.240 -9.537 64 1HD1 LEU 7 1HD1 LEU 7 21.964 -7.456 -12.165 65 2HD1 LEU 7 2HD1 LEU 7 20.361 -6.787 -11.865 66 3HD1 LEU 7 3HD1 LEU 7 21.778 -5.738 -11.811 67 1HD2 LEU 7 1HD2 LEU 7 21.464 -9.174 -10.231 68 2HD2 LEU 7 2HD2 LEU 7 20.821 -8.515 -8.728 69 3HD2 LEU 7 3HD2 LEU 7 19.895 -8.377 -10.218 70 H ASN 8 H ASN 8 21.331 -6.001 -6.766 71 HA ASN 8 HA ASN 8 20.870 -8.771 -5.922 72 1HB ASN 8 1HB ASN 8 21.253 -8.343 -3.536 73 2HB ASN 8 2HB ASN 8 22.737 -8.053 -4.444 74 2HD2 ASN 8 2HD2 ASN 8 22.753 -6.749 -2.087 75 1HD2 ASN 8 1HD2 ASN 8 22.382 -5.102 -2.260 76 H ALA 9 H ALA 9 18.933 -8.885 -4.486 77 HA ALA 9 HA ALA 9 17.013 -6.725 -5.189 78 1HB ALA 9 1HB ALA 9 16.589 -9.250 -5.557 79 2HB ALA 9 2HB ALA 9 15.300 -8.311 -4.802 80 3HB ALA 9 3HB ALA 9 16.345 -9.330 -3.810 81 H GLN 10 H GLN 10 19.076 -7.344 -2.679 82 HA GLN 10 HA GLN 10 17.456 -7.100 -0.356 83 1HB GLN 10 1HB GLN 10 19.861 -7.677 -0.293 84 2HB GLN 10 2HB GLN 10 20.264 -6.045 -0.822 85 1HG GLN 10 1HG GLN 10 19.215 -5.120 1.218 86 2HG GLN 10 2HG GLN 10 18.810 -6.754 1.747 87 2HE2 GLN 10 2HE2 GLN 10 20.225 -7.005 3.533 88 1HE2 GLN 10 1HE2 GLN 10 21.912 -6.851 3.426 89 H HIS 11 H HIS 11 19.090 -4.522 -2.250 90 HA HIS 11 HA HIS 11 16.892 -2.687 -1.710 91 1HB HIS 11 1HB HIS 11 19.525 -2.395 -0.255 92 2HB HIS 11 2HB HIS 11 18.522 -0.987 -0.608 93 HD1 HIS 11 HD1 HIS 11 15.742 -1.896 -0.051 94 HD2 HIS 11 HD2 HIS 11 18.933 -3.077 2.357 95 HE1 HIS 11 HE1 HIS 11 14.747 -2.564 2.180 96 H ASP 12 H ASP 12 17.195 -0.628 -2.829 97 HA ASP 12 HA ASP 12 19.517 -0.292 -4.582 98 1HB ASP 12 1HB ASP 12 18.216 -0.373 -6.679 99 2HB ASP 12 2HB ASP 12 18.176 -1.934 -5.858 100 H GLU 13 H GLU 13 18.737 1.652 -6.240 101 HA GLU 13 HA GLU 13 18.265 3.903 -4.554 102 1HB GLU 13 1HB GLU 13 17.942 3.551 -7.549 103 2HB GLU 13 2HB GLU 13 17.787 5.108 -6.733 104 1HG GLU 13 1HG GLU 13 20.076 4.872 -5.841 105 2HG GLU 13 2HG GLU 13 20.234 3.317 -6.659 106 H ALA 14 H ALA 14 16.078 1.956 -6.561 107 HA ALA 14 HA ALA 14 13.740 3.527 -5.600 108 1HB ALA 14 1HB ALA 14 13.849 1.167 -7.508 109 2HB ALA 14 2HB ALA 14 13.885 2.858 -8.008 110 3HB ALA 14 3HB ALA 14 12.456 2.205 -7.206 111 H VAL 15 H VAL 15 12.597 2.808 -3.854 112 HA VAL 15 HA VAL 15 12.754 -0.095 -3.122 113 HB VAL 15 HB VAL 15 12.812 0.702 -0.702 114 1HG1 VAL 15 1HG1 VAL 15 15.162 1.304 -2.526 115 2HG1 VAL 15 2HG1 VAL 15 15.272 1.097 -0.778 116 3HG1 VAL 15 3HG1 VAL 15 14.781 -0.257 -1.797 117 1HG2 VAL 15 1HG2 VAL 15 12.175 3.080 -1.356 118 2HG2 VAL 15 2HG2 VAL 15 13.548 2.948 -0.258 119 3HG2 VAL 15 3HG2 VAL 15 13.816 3.264 -1.972 120 H ASP 16 H ASP 16 11.110 -0.353 -1.136 121 HA ASP 16 HA ASP 16 8.508 -0.041 -2.224 122 1HB ASP 16 1HB ASP 16 9.443 -0.571 0.608 123 2HB ASP 16 2HB ASP 16 7.747 -0.622 0.123 124 H ALA 17 H ALA 17 10.485 2.307 -0.764 125 HA ALA 17 HA ALA 17 8.779 3.885 0.780 126 1HB ALA 17 1HB ALA 17 11.168 4.427 0.278 127 2HB ALA 17 2HB ALA 17 10.680 4.941 -1.336 128 3HB ALA 17 3HB ALA 17 10.099 5.815 0.081 129 H ASN 18 H ASN 18 9.203 4.280 -2.771 130 HA ASN 18 HA ASN 18 6.608 5.720 -2.876 131 1HB ASN 18 1HB ASN 18 8.646 6.464 -4.205 132 2HB ASN 18 2HB ASN 18 8.438 5.013 -5.188 133 2HD2 ASN 18 2HD2 ASN 18 7.033 5.219 -6.944 134 1HD2 ASN 18 1HD2 ASN 18 5.869 6.441 -7.117 135 H SER 19 H SER 19 5.629 3.574 -2.127 136 HA SER 19 HA SER 19 4.492 2.233 -4.471 137 1HB SER 19 1HB SER 19 6.441 0.827 -4.200 138 2HB SER 19 2HB SER 19 6.204 0.747 -2.458 139 HG SER 19 HG SER 19 4.187 -0.304 -2.911 140 H LEU 20 H LEU 20 4.888 2.092 -0.921 141 HA LEU 20 HA LEU 20 2.311 0.987 -0.377 142 1HB LEU 20 1HB LEU 20 3.973 2.907 1.293 143 2HB LEU 20 2HB LEU 20 2.610 1.967 1.890 144 HG LEU 20 HG LEU 20 5.083 0.733 0.644 145 1HD1 LEU 20 1HD1 LEU 20 4.391 1.325 3.527 146 2HD1 LEU 20 2HD1 LEU 20 5.580 0.104 3.072 147 3HD1 LEU 20 3HD1 LEU 20 5.842 1.794 2.641 148 1HD2 LEU 20 1HD2 LEU 20 2.621 -0.343 2.025 149 2HD2 LEU 20 2HD2 LEU 20 3.367 -0.873 0.517 150 3HD2 LEU 20 3HD2 LEU 20 4.127 -1.257 2.059 151 H ALA 21 H ALA 21 3.464 4.312 -0.800 152 HA ALA 21 HA ALA 21 1.056 5.645 -0.136 153 1HB ALA 21 1HB ALA 21 2.966 6.556 -2.296 154 2HB ALA 21 2HB ALA 21 3.373 6.658 -0.585 155 3HB ALA 21 3HB ALA 21 1.991 7.554 -1.214 156 H GLU 22 H GLU 22 2.262 4.714 -3.393 157 HA GLU 22 HA GLU 22 -0.159 5.470 -4.730 158 1HB GLU 22 1HB GLU 22 2.011 5.054 -5.895 159 2HB GLU 22 2HB GLU 22 1.845 3.335 -5.535 160 1HG GLU 22 1HG GLU 22 -0.248 3.249 -6.813 161 2HG GLU 22 2HG GLU 22 -0.126 4.975 -7.152 162 H ALA 23 H ALA 23 0.939 2.397 -3.327 163 HA ALA 23 HA ALA 23 -1.278 0.818 -4.181 164 1HB ALA 23 1HB ALA 23 0.148 0.452 -1.540 165 2HB ALA 23 2HB ALA 23 0.913 0.041 -3.075 166 3HB ALA 23 3HB ALA 23 -0.563 -0.784 -2.577 167 H LYS 24 H LYS 24 -0.757 2.695 -1.186 168 HA LYS 24 HA LYS 24 -3.353 2.067 -0.090 169 1HB LYS 24 1HB LYS 24 -1.369 4.286 0.481 170 2HB LYS 24 2HB LYS 24 -2.858 4.057 1.402 171 1HG LYS 24 1HG LYS 24 -2.156 1.778 2.000 172 2HG LYS 24 2HG LYS 24 -0.671 1.976 1.077 173 1HD LYS 24 1HD LYS 24 -0.021 3.868 2.527 174 2HD LYS 24 2HD LYS 24 -1.503 3.655 3.455 175 1HE LYS 24 1HE LYS 24 -0.815 1.480 4.212 176 2HE LYS 24 2HE LYS 24 0.554 1.463 3.098 177 1HZ LYS 24 1HZ LYS 24 1.098 3.675 4.398 178 2HZ LYS 24 2HZ LYS 24 0.224 2.892 5.622 179 3HZ LYS 24 3HZ LYS 24 1.605 2.154 4.962 180 H VAL 25 H VAL 25 -2.087 4.758 -2.043 181 HA VAL 25 HA VAL 25 -4.476 6.329 -1.959 182 HB VAL 25 HB VAL 25 -2.219 6.216 -3.961 183 1HG1 VAL 25 1HG1 VAL 25 -4.686 7.959 -3.857 184 2HG1 VAL 25 2HG1 VAL 25 -3.199 8.524 -4.620 185 3HG1 VAL 25 3HG1 VAL 25 -4.015 7.089 -5.237 186 1HG2 VAL 25 1HG2 VAL 25 -1.955 7.068 -1.503 187 2HG2 VAL 25 2HG2 VAL 25 -1.353 8.090 -2.808 188 3HG2 VAL 25 3HG2 VAL 25 -2.903 8.453 -2.046 189 H LEU 26 H LEU 26 -3.344 3.889 -4.318 190 HA LEU 26 HA LEU 26 -5.642 4.164 -6.031 191 1HB LEU 26 1HB LEU 26 -3.667 1.895 -5.671 192 2HB LEU 26 2HB LEU 26 -4.930 1.894 -6.899 193 HG LEU 26 HG LEU 26 -2.760 3.997 -6.626 194 1HD1 LEU 26 1HD1 LEU 26 -1.957 1.746 -7.353 195 2HD1 LEU 26 2HD1 LEU 26 -3.106 1.800 -8.688 196 3HD1 LEU 26 3HD1 LEU 26 -1.787 2.967 -8.615 197 1HD2 LEU 26 1HD2 LEU 26 -5.153 3.683 -8.427 198 2HD2 LEU 26 2HD2 LEU 26 -4.460 5.150 -7.731 199 3HD2 LEU 26 3HD2 LEU 26 -3.681 4.377 -9.108 200 H ALA 27 H ALA 27 -4.940 2.012 -3.294 201 HA ALA 27 HA ALA 27 -7.399 0.510 -3.615 202 1HB ALA 27 1HB ALA 27 -5.382 -0.341 -2.399 203 2HB ALA 27 2HB ALA 27 -5.700 0.838 -1.127 204 3HB ALA 27 3HB ALA 27 -6.863 -0.450 -1.446 205 H ASN 28 H ASN 28 -6.418 3.279 -1.627 206 HA ASN 28 HA ASN 28 -8.765 3.458 -0.032 207 1HB ASN 28 1HB ASN 28 -6.680 4.668 0.468 208 2HB ASN 28 2HB ASN 28 -6.929 5.683 -0.954 209 2HD2 ASN 28 2HD2 ASN 28 -7.004 6.216 2.129 210 1HD2 ASN 28 1HD2 ASN 28 -8.446 7.090 2.333 211 H ARG 29 H ARG 29 -8.067 4.966 -3.215 212 HA ARG 29 HA ARG 29 -10.415 6.577 -3.270 213 1HB ARG 29 1HB ARG 29 -10.145 6.510 -5.779 214 2HB ARG 29 2HB ARG 29 -8.705 7.013 -4.895 215 1HG ARG 29 1HG ARG 29 -7.791 4.755 -5.062 216 2HG ARG 29 2HG ARG 29 -9.237 4.207 -5.907 217 1HD ARG 29 1HD ARG 29 -7.327 6.354 -6.882 218 2HD ARG 29 2HD ARG 29 -7.420 4.705 -7.504 219 HE ARG 29 HE ARG 29 -10.005 5.668 -7.780 220 1HH1 ARG 29 1HH1 ARG 29 -10.718 6.705 -9.655 221 2HH1 ARG 29 2HH1 ARG 29 -9.570 7.501 -10.679 222 1HH2 ARG 29 1HH2 ARG 29 -6.843 6.696 -8.692 223 2HH2 ARG 29 2HH2 ARG 29 -7.376 7.496 -10.133 224 H GLU 30 H GLU 30 -9.948 3.173 -4.171 225 HA GLU 30 HA GLU 30 -12.460 2.801 -5.469 226 1HB GLU 30 1HB GLU 30 -10.761 0.900 -3.827 227 2HB GLU 30 2HB GLU 30 -12.193 0.391 -4.722 228 1HG GLU 30 1HG GLU 30 -9.838 1.824 -5.982 229 2HG GLU 30 2HG GLU 30 -10.042 0.072 -5.986 230 H LEU 31 H LEU 31 -11.561 2.664 -2.048 231 HA LEU 31 HA LEU 31 -14.064 1.769 -1.003 232 1HB LEU 31 1HB LEU 31 -12.296 3.811 0.366 233 2HB LEU 31 2HB LEU 31 -13.257 2.529 1.101 234 HG LEU 31 HG LEU 31 -10.751 2.220 -0.558 235 1HD1 LEU 31 1HD1 LEU 31 -11.452 1.570 2.315 236 2HD1 LEU 31 2HD1 LEU 31 -9.936 1.125 1.534 237 3HD1 LEU 31 3HD1 LEU 31 -10.346 2.825 1.753 238 1HD2 LEU 31 1HD2 LEU 31 -12.727 0.154 0.470 239 2HD2 LEU 31 2HD2 LEU 31 -12.199 0.395 -1.196 240 3HD2 LEU 31 3HD2 LEU 31 -11.075 -0.256 -0.003 241 H ASP 32 H ASP 32 -12.752 5.013 -1.494 242 HA ASP 32 HA ASP 32 -15.058 6.484 -0.725 243 1HB ASP 32 1HB ASP 32 -12.695 6.983 -2.527 244 2HB ASP 32 2HB ASP 32 -13.965 8.203 -2.371 245 H LYS 33 H LYS 33 -14.043 5.098 -3.823 246 HA LYS 33 HA LYS 33 -16.142 6.171 -5.426 247 1HB LYS 33 1HB LYS 33 -14.133 5.060 -6.346 248 2HB LYS 33 2HB LYS 33 -14.689 3.521 -5.692 249 1HG LYS 33 1HG LYS 33 -16.721 3.660 -7.087 250 2HG LYS 33 2HG LYS 33 -16.160 5.199 -7.744 251 1HD LYS 33 1HD LYS 33 -14.143 4.093 -8.628 252 2HD LYS 33 2HD LYS 33 -14.702 2.551 -7.975 253 1HE LYS 33 1HE LYS 33 -15.243 2.803 -10.389 254 2HE LYS 33 2HE LYS 33 -16.687 2.632 -9.392 255 1HZ LYS 33 1HZ LYS 33 -15.666 5.327 -9.918 256 2HZ LYS 33 2HZ LYS 33 -16.493 4.526 -11.167 257 3HZ LYS 33 3HZ LYS 33 -17.264 4.802 -9.682 258 H TYR 34 H TYR 34 -15.910 3.043 -3.692 259 HA TYR 34 HA TYR 34 -18.620 2.261 -4.326 260 1HB TYR 34 1HB TYR 34 -16.687 1.312 -2.196 261 2HB TYR 34 2HB TYR 34 -18.276 0.595 -2.450 262 HD1 TYR 34 HD1 TYR 34 -14.880 0.306 -3.306 263 HD2 TYR 34 HD2 TYR 34 -18.808 0.048 -5.030 264 HE1 TYR 34 HE1 TYR 34 -13.981 -1.081 -5.154 265 HE2 TYR 34 HE2 TYR 34 -17.906 -1.338 -6.875 266 HH TYR 34 HH TYR 34 -15.113 -1.482 -7.868 267 H GLY 35 H GLY 35 -17.131 4.004 -1.635 268 1HA GLY 35 1HA GLY 35 -19.824 4.906 -0.797 269 2HA GLY 35 2HA GLY 35 -18.288 5.564 -0.232 270 H VAL 36 H VAL 36 -17.217 2.833 0.319 271 HA VAL 36 HA VAL 36 -18.952 1.575 2.252 272 HB VAL 36 HB VAL 36 -16.892 0.324 2.895 273 1HG1 VAL 36 1HG1 VAL 36 -17.481 0.625 -0.061 274 2HG1 VAL 36 2HG1 VAL 36 -16.544 -0.699 0.633 275 3HG1 VAL 36 3HG1 VAL 36 -18.243 -0.505 1.059 276 1HG2 VAL 36 1HG2 VAL 36 -15.602 2.116 0.816 277 2HG2 VAL 36 2HG2 VAL 36 -15.279 2.162 2.550 278 3HG2 VAL 36 3HG2 VAL 36 -14.830 0.743 1.607 279 H SER 37 H SER 37 -17.678 1.265 4.598 280 HA SER 37 HA SER 37 -18.002 3.841 5.858 281 1HB SER 37 1HB SER 37 -17.430 2.711 7.915 282 2HB SER 37 2HB SER 37 -18.428 1.615 6.963 283 HG SER 37 HG SER 37 -15.668 1.535 6.576 284 H ASP 38 H ASP 38 -16.304 4.958 7.118 285 HA ASP 38 HA ASP 38 -13.821 5.161 5.562 286 1HB ASP 38 1HB ASP 38 -13.316 7.047 7.058 287 2HB ASP 38 2HB ASP 38 -14.964 7.186 6.442 288 H TYR 39 H TYR 39 -14.842 3.161 8.009 289 HA TYR 39 HA TYR 39 -12.511 3.153 9.712 290 1HB TYR 39 1HB TYR 39 -14.550 2.164 10.541 291 2HB TYR 39 2HB TYR 39 -14.650 1.078 9.154 292 HD1 TYR 39 HD1 TYR 39 -13.060 -0.776 8.888 293 HD2 TYR 39 HD2 TYR 39 -13.057 1.699 12.396 294 HE1 TYR 39 HE1 TYR 39 -11.686 -2.456 10.066 295 HE2 TYR 39 HE2 TYR 39 -11.679 0.012 13.583 296 HH TYR 39 HH TYR 39 -11.350 -2.637 13.277 297 H TYR 40 H TYR 40 -13.468 1.351 6.822 298 HA TYR 40 HA TYR 40 -11.237 -0.442 6.786 299 1HB TYR 40 1HB TYR 40 -13.037 0.549 4.560 300 2HB TYR 40 2HB TYR 40 -11.870 -0.760 4.381 301 HD1 TYR 40 HD1 TYR 40 -15.231 -0.022 5.150 302 HD2 TYR 40 HD2 TYR 40 -12.008 -2.626 6.293 303 HE1 TYR 40 HE1 TYR 40 -16.863 -1.622 6.108 304 HE2 TYR 40 HE2 TYR 40 -13.645 -4.225 7.252 305 HH TYR 40 HH TYR 40 -16.578 -3.560 8.111 306 H LYS 41 H LYS 41 -11.702 2.784 5.277 307 HA LYS 41 HA LYS 41 -9.246 2.639 3.793 308 1HB LYS 41 1HB LYS 41 -9.578 4.926 3.242 309 2HB LYS 41 2HB LYS 41 -11.197 4.255 3.391 310 1HG LYS 41 1HG LYS 41 -11.500 5.256 5.548 311 2HG LYS 41 2HG LYS 41 -9.815 5.743 5.650 312 1HD LYS 41 1HD LYS 41 -11.316 7.623 5.014 313 2HD LYS 41 2HD LYS 41 -10.094 7.281 3.792 314 1HE LYS 41 1HE LYS 41 -11.645 6.288 2.333 315 2HE LYS 41 2HE LYS 41 -12.814 5.992 3.620 316 1HZ LYS 41 1HZ LYS 41 -13.155 8.377 3.805 317 2HZ LYS 41 2HZ LYS 41 -12.037 8.654 2.561 318 3HZ LYS 41 3HZ LYS 41 -13.491 7.839 2.228 319 H ASN 42 H ASN 42 -10.060 3.714 7.041 320 HA ASN 42 HA ASN 42 -7.501 4.874 7.613 321 1HB ASN 42 1HB ASN 42 -9.620 3.662 9.409 322 2HB ASN 42 2HB ASN 42 -8.170 4.454 10.025 323 2HD2 ASN 42 2HD2 ASN 42 -7.884 6.690 8.458 324 1HD2 ASN 42 1HD2 ASN 42 -9.263 7.677 8.546 325 H LEU 43 H LEU 43 -8.845 1.617 7.937 326 HA LEU 43 HA LEU 43 -6.648 0.423 9.283 327 1HB LEU 43 1HB LEU 43 -8.831 -0.691 9.019 328 2HB LEU 43 2HB LEU 43 -8.568 -0.812 7.282 329 HG LEU 43 HG LEU 43 -6.629 -2.263 7.647 330 1HD1 LEU 43 1HD1 LEU 43 -7.148 -1.574 10.533 331 2HD1 LEU 43 2HD1 LEU 43 -6.407 -3.123 10.132 332 3HD1 LEU 43 3HD1 LEU 43 -5.618 -1.620 9.659 333 1HD2 LEU 43 1HD2 LEU 43 -9.093 -3.113 7.693 334 2HD2 LEU 43 2HD2 LEU 43 -7.830 -4.209 8.251 335 3HD2 LEU 43 3HD2 LEU 43 -8.825 -3.341 9.421 336 H ILE 44 H ILE 44 -7.250 0.965 5.816 337 HA ILE 44 HA ILE 44 -4.988 -0.468 4.828 338 HB ILE 44 HB ILE 44 -6.443 1.979 3.782 339 1HG1 ILE 44 1HG1 ILE 44 -7.502 -0.430 3.935 340 2HG1 ILE 44 2HG1 ILE 44 -7.698 0.511 2.461 341 1HG2 ILE 44 1HG2 ILE 44 -4.116 0.456 2.624 342 2HG2 ILE 44 2HG2 ILE 44 -5.279 1.258 1.568 343 3HG2 ILE 44 3HG2 ILE 44 -4.356 2.200 2.737 344 1HD1 ILE 44 1HD1 ILE 44 -5.362 -1.377 2.748 345 2HD1 ILE 44 2HD1 ILE 44 -6.943 -1.977 2.253 346 3HD1 ILE 44 3HD1 ILE 44 -6.117 -0.764 1.281 347 H ASN 45 H ASN 45 -5.365 2.890 5.918 348 HA ASN 45 HA ASN 45 -2.819 3.894 5.339 349 1HB ASN 45 1HB ASN 45 -4.765 5.141 6.386 350 2HB ASN 45 2HB ASN 45 -4.311 4.405 7.923 351 2HD2 ASN 45 2HD2 ASN 45 -3.901 6.756 8.576 352 1HD2 ASN 45 1HD2 ASN 45 -2.396 7.440 8.188 353 H ASN 46 H ASN 46 -3.798 1.630 7.843 354 HA ASN 46 HA ASN 46 -1.143 1.737 9.146 355 1HB ASN 46 1HB ASN 46 -3.582 0.025 9.715 356 2HB ASN 46 2HB ASN 46 -2.117 0.070 10.697 357 2HD2 ASN 46 2HD2 ASN 46 -1.490 2.669 11.044 358 1HD2 ASN 46 1HD2 ASN 46 -2.783 3.562 11.685 359 H ALA 47 H ALA 47 -2.240 0.291 6.385 360 HA ALA 47 HA ALA 47 -1.430 -2.426 6.660 361 1HB ALA 47 1HB ALA 47 -2.640 -1.292 4.679 362 2HB ALA 47 2HB ALA 47 -1.455 -2.540 4.296 363 3HB ALA 47 3HB ALA 47 -1.031 -0.838 4.122 364 H LYS 48 H LYS 48 0.578 -3.397 6.631 365 HA LYS 48 HA LYS 48 2.944 -1.581 6.668 366 1HB LYS 48 1HB LYS 48 2.508 -4.411 7.647 367 2HB LYS 48 2HB LYS 48 4.082 -3.614 7.646 368 1HG LYS 48 1HG LYS 48 3.298 -1.893 9.138 369 2HG LYS 48 2HG LYS 48 1.631 -2.444 8.984 370 1HD LYS 48 1HD LYS 48 2.499 -3.265 11.092 371 2HD LYS 48 2HD LYS 48 2.326 -4.636 9.998 372 1HE LYS 48 1HE LYS 48 4.658 -4.756 9.596 373 2HE LYS 48 2HE LYS 48 4.938 -3.138 10.238 374 1HZ LYS 48 1HZ LYS 48 3.682 -4.859 12.140 375 2HZ LYS 48 2HZ LYS 48 5.172 -5.483 11.612 376 3HZ LYS 48 3HZ LYS 48 5.093 -3.929 12.294 377 H THR 49 H THR 49 1.391 -3.573 4.444 378 HA THR 49 HA THR 49 3.795 -3.572 2.755 379 HB THR 49 HB THR 49 2.495 -6.255 3.233 380 HG1 THR 49 HG1 THR 49 3.358 -6.217 5.132 381 1HG2 THR 49 1HG2 THR 49 3.987 -5.794 1.242 382 2HG2 THR 49 2HG2 THR 49 5.300 -5.506 2.383 383 3HG2 THR 49 3HG2 THR 49 4.544 -7.096 2.292 384 H VAL 50 H VAL 50 3.313 -4.021 0.533 385 HA VAL 50 HA VAL 50 0.769 -3.097 -0.364 386 HB VAL 50 HB VAL 50 2.933 -4.665 -1.773 387 1HG1 VAL 50 1HG1 VAL 50 0.406 -3.390 -2.823 388 2HG1 VAL 50 2HG1 VAL 50 1.800 -3.693 -3.858 389 3HG1 VAL 50 3HG1 VAL 50 0.979 -5.040 -3.070 390 1HG2 VAL 50 1HG2 VAL 50 2.241 -1.728 -1.560 391 2HG2 VAL 50 2HG2 VAL 50 3.753 -2.520 -1.117 392 3HG2 VAL 50 3HG2 VAL 50 3.308 -2.357 -2.815 393 H GLU 51 H GLU 51 2.087 -6.401 -0.048 394 HA GLU 51 HA GLU 51 -0.119 -7.744 -1.254 395 1HB GLU 51 1HB GLU 51 0.637 -9.729 0.008 396 2HB GLU 51 2HB GLU 51 2.007 -8.889 -0.717 397 1HG GLU 51 1HG GLU 51 2.451 -7.762 1.440 398 2HG GLU 51 2HG GLU 51 1.094 -8.621 2.166 399 H GLY 52 H GLY 52 0.410 -6.462 1.970 400 1HA GLY 52 1HA GLY 52 -1.061 -6.244 3.788 401 2HA GLY 52 2HA GLY 52 -1.974 -7.610 3.137 402 H VAL 53 H VAL 53 -1.178 -4.617 1.419 403 HA VAL 53 HA VAL 53 -3.716 -3.320 1.862 404 HB VAL 53 HB VAL 53 -1.584 -2.985 -0.263 405 1HG1 VAL 53 1HG1 VAL 53 -4.156 -1.468 0.208 406 2HG1 VAL 53 2HG1 VAL 53 -2.780 -0.740 -0.620 407 3HG1 VAL 53 3HG1 VAL 53 -3.565 -2.165 -1.301 408 1HG2 VAL 53 1HG2 VAL 53 -2.362 -1.375 2.189 409 2HG2 VAL 53 2HG2 VAL 53 -0.920 -2.373 2.017 410 3HG2 VAL 53 3HG2 VAL 53 -1.106 -0.920 1.037 411 H LYS 54 H LYS 54 -2.451 -5.179 -0.929 412 HA LYS 54 HA LYS 54 -4.925 -5.047 -2.401 413 1HB LYS 54 1HB LYS 54 -2.660 -5.526 -3.390 414 2HB LYS 54 2HB LYS 54 -2.744 -7.131 -2.663 415 1HG LYS 54 1HG LYS 54 -4.828 -7.587 -3.901 416 2HG LYS 54 2HG LYS 54 -4.746 -5.985 -4.633 417 1HD LYS 54 1HD LYS 54 -2.578 -6.564 -5.662 418 2HD LYS 54 2HD LYS 54 -2.666 -8.171 -4.939 419 1HE LYS 54 1HE LYS 54 -3.439 -8.199 -7.290 420 2HE LYS 54 2HE LYS 54 -4.740 -8.630 -6.180 421 1HZ LYS 54 1HZ LYS 54 -4.327 -5.840 -7.060 422 2HZ LYS 54 2HZ LYS 54 -5.243 -6.930 -7.987 423 3HZ LYS 54 3HZ LYS 54 -5.725 -6.550 -6.406 424 H ALA 55 H ALA 55 -3.550 -7.496 -0.216 425 HA ALA 55 HA ALA 55 -5.626 -9.437 -0.685 426 1HB ALA 55 1HB ALA 55 -4.763 -10.486 1.413 427 2HB ALA 55 2HB ALA 55 -3.727 -9.078 1.649 428 3HB ALA 55 3HB ALA 55 -3.489 -10.123 0.247 429 H LEU 56 H LEU 56 -5.378 -6.675 1.471 430 HA LEU 56 HA LEU 56 -7.508 -7.481 3.239 431 1HB LEU 56 1HB LEU 56 -5.789 -5.698 3.752 432 2HB LEU 56 2HB LEU 56 -6.606 -4.657 2.588 433 HG LEU 56 HG LEU 56 -8.749 -5.174 4.017 434 1HD1 LEU 56 1HD1 LEU 56 -7.710 -6.933 5.421 435 2HD1 LEU 56 2HD1 LEU 56 -6.549 -5.754 6.028 436 3HD1 LEU 56 3HD1 LEU 56 -8.262 -5.582 6.400 437 1HD2 LEU 56 1HD2 LEU 56 -6.477 -3.308 4.671 438 2HD2 LEU 56 2HD2 LEU 56 -8.079 -2.941 4.030 439 3HD2 LEU 56 3HD2 LEU 56 -7.885 -3.353 5.729 440 H ILE 57 H ILE 57 -7.358 -5.501 0.302 441 HA ILE 57 HA ILE 57 -10.145 -4.769 0.306 442 HB ILE 57 HB ILE 57 -8.244 -5.068 -2.035 443 1HG1 ILE 57 1HG1 ILE 57 -7.344 -3.463 -0.437 444 2HG1 ILE 57 2HG1 ILE 57 -8.002 -2.578 -1.807 445 1HG2 ILE 57 1HG2 ILE 57 -10.942 -3.760 -1.724 446 2HG2 ILE 57 2HG2 ILE 57 -9.837 -3.340 -3.034 447 3HG2 ILE 57 3HG2 ILE 57 -10.446 -4.988 -2.886 448 1HD1 ILE 57 1HD1 ILE 57 -10.190 -2.491 -0.339 449 2HD1 ILE 57 2HD1 ILE 57 -9.076 -2.812 0.989 450 3HD1 ILE 57 3HD1 ILE 57 -8.868 -1.374 -0.006 451 H ASP 58 H ASP 58 -8.312 -7.492 -1.012 452 HA ASP 58 HA ASP 58 -10.409 -8.629 -2.575 453 1HB ASP 58 1HB ASP 58 -8.108 -9.922 -1.085 454 2HB ASP 58 2HB ASP 58 -9.176 -10.808 -2.175 455 H GLU 59 H GLU 59 -9.621 -8.971 0.874 456 HA GLU 59 HA GLU 59 -11.685 -10.925 1.395 457 1HB GLU 59 1HB GLU 59 -10.173 -9.016 3.203 458 2HB GLU 59 2HB GLU 59 -11.329 -10.208 3.800 459 1HG GLU 59 1HG GLU 59 -8.934 -10.911 2.083 460 2HG GLU 59 2HG GLU 59 -8.930 -10.990 3.845 461 H ILE 60 H ILE 60 -11.467 -7.398 1.582 462 HA ILE 60 HA ILE 60 -14.080 -7.031 2.711 463 HB ILE 60 HB ILE 60 -12.308 -5.156 1.125 464 1HG1 ILE 60 1HG1 ILE 60 -12.883 -5.260 4.098 465 2HG1 ILE 60 2HG1 ILE 60 -11.496 -6.060 3.359 466 1HG2 ILE 60 1HG2 ILE 60 -14.899 -4.711 2.621 467 2HG2 ILE 60 2HG2 ILE 60 -13.772 -3.401 2.275 468 3HG2 ILE 60 3HG2 ILE 60 -14.527 -4.286 0.951 469 1HD1 ILE 60 1HD1 ILE 60 -12.067 -3.116 2.963 470 2HD1 ILE 60 2HD1 ILE 60 -11.069 -3.716 4.288 471 3HD1 ILE 60 3HD1 ILE 60 -10.572 -3.987 2.617 472 H LEU 61 H LEU 61 -12.861 -6.955 -0.644 473 HA LEU 61 HA LEU 61 -15.448 -6.325 -1.771 474 1HB LEU 61 1HB LEU 61 -12.945 -7.530 -2.992 475 2HB LEU 61 2HB LEU 61 -14.388 -7.153 -3.930 476 HG LEU 61 HG LEU 61 -12.726 -5.174 -2.335 477 1HD1 LEU 61 1HD1 LEU 61 -11.744 -6.086 -4.481 478 2HD1 LEU 61 2HD1 LEU 61 -13.132 -5.408 -5.330 479 3HD1 LEU 61 3HD1 LEU 61 -12.009 -4.340 -4.488 480 1HD2 LEU 61 1HD2 LEU 61 -15.370 -4.954 -3.758 481 2HD2 LEU 61 2HD2 LEU 61 -14.824 -4.161 -2.280 482 3HD2 LEU 61 3HD2 LEU 61 -14.262 -3.583 -3.846 483 H ALA 62 H ALA 62 -13.744 -9.327 -1.037 484 HA ALA 62 HA ALA 62 -15.481 -11.118 -2.405 485 1HB ALA 62 1HB ALA 62 -14.001 -11.553 0.209 486 2HB ALA 62 2HB ALA 62 -14.653 -12.822 -0.827 487 3HB ALA 62 3HB ALA 62 -13.328 -11.809 -1.400 488 H ALA 63 H ALA 63 -15.706 -9.682 0.843 489 HA ALA 63 HA ALA 63 -18.044 -11.178 1.624 490 1HB ALA 63 1HB ALA 63 -18.219 -9.578 3.453 491 2HB ALA 63 2HB ALA 63 -16.523 -10.006 3.226 492 3HB ALA 63 3HB ALA 63 -17.131 -8.464 2.623 493 H LEU 64 H LEU 64 -17.883 -9.351 -0.969 494 HA LEU 64 HA LEU 64 -20.648 -8.227 -0.631 495 1HB LEU 64 1HB LEU 64 -18.352 -6.985 -2.177 496 2HB LEU 64 2HB LEU 64 -19.993 -6.351 -2.084 497 HG LEU 64 HG LEU 64 -18.187 -6.769 0.318 498 1HD1 LEU 64 1HD1 LEU 64 -17.306 -5.027 -1.193 499 2HD1 LEU 64 2HD1 LEU 64 -18.878 -4.226 -1.187 500 3HD1 LEU 64 3HD1 LEU 64 -17.926 -4.316 0.295 501 1HD2 LEU 64 1HD2 LEU 64 -20.962 -5.644 -0.088 502 2HD2 LEU 64 2HD2 LEU 64 -20.391 -6.769 1.144 503 3HD2 LEU 64 3HD2 LEU 64 -19.964 -5.064 1.243 504 HA PRO 65 HA PRO 65 -20.325 -11.049 -4.320 505 1HB PRO 65 1HB PRO 65 -22.694 -12.429 -3.661 506 2HB PRO 65 2HB PRO 65 -21.047 -12.972 -3.323 507 1HG PRO 65 1HG PRO 65 -23.069 -11.984 -1.447 508 2HG PRO 65 2HG PRO 65 -21.544 -12.808 -1.103 509 1HD PRO 65 1HD PRO 65 -22.128 -9.999 -0.792 510 2HD PRO 65 2HD PRO 65 -20.573 -10.817 -0.511 No H/Q in entry = 510 Start of MODEL 2 1 H1 MET 1 H1 MET 1 31.633 -13.584 -7.996 2 H2 MET 1 H2 MET 1 33.195 -13.018 -7.641 3 H3 MET 1 H3 MET 1 32.541 -12.793 -9.191 4 HA MET 1 HA MET 1 32.662 -15.075 -9.703 5 1HB MET 1 1HB MET 1 35.133 -14.093 -8.245 6 2HB MET 1 2HB MET 1 35.105 -15.532 -9.268 7 1HG MET 1 1HG MET 1 34.413 -14.202 -11.194 8 2HG MET 1 2HG MET 1 34.303 -12.758 -10.191 9 1HE MET 1 1HE MET 1 35.592 -11.673 -12.007 10 2HE MET 1 2HE MET 1 37.306 -11.884 -12.365 11 3HE MET 1 3HE MET 1 36.123 -13.062 -12.955 12 H LYS 2 H LYS 2 34.160 -17.092 -8.566 13 HA LYS 2 HA LYS 2 32.365 -17.960 -6.422 14 1HB LYS 2 1HB LYS 2 34.105 -19.991 -6.501 15 2HB LYS 2 2HB LYS 2 32.873 -19.796 -7.742 16 1HG LYS 2 1HG LYS 2 35.103 -20.234 -8.718 17 2HG LYS 2 2HG LYS 2 34.477 -18.664 -9.206 18 1HD LYS 2 1HD LYS 2 35.947 -17.492 -7.787 19 2HD LYS 2 2HD LYS 2 36.251 -18.904 -6.775 20 1HE LYS 2 1HE LYS 2 38.207 -18.499 -8.162 21 2HE LYS 2 2HE LYS 2 37.419 -19.975 -8.720 22 1HZ LYS 2 1HZ LYS 2 36.487 -17.533 -9.963 23 2HZ LYS 2 2HZ LYS 2 38.096 -17.938 -10.312 24 3HZ LYS 2 3HZ LYS 2 36.850 -19.039 -10.659 25 H ALA 3 H ALA 3 35.254 -16.206 -6.523 26 HA ALA 3 HA ALA 3 36.571 -17.186 -4.166 27 1HB ALA 3 1HB ALA 3 37.698 -14.982 -4.150 28 2HB ALA 3 2HB ALA 3 37.678 -15.672 -5.774 29 3HB ALA 3 3HB ALA 3 36.547 -14.389 -5.346 30 H ILE 4 H ILE 4 34.296 -14.485 -4.657 31 HA ILE 4 HA ILE 4 33.628 -14.579 -1.728 32 HB ILE 4 HB ILE 4 33.582 -12.193 -3.603 33 1HG1 ILE 4 1HG1 ILE 4 35.366 -12.719 -1.209 34 2HG1 ILE 4 2HG1 ILE 4 35.861 -13.040 -2.870 35 1HG2 ILE 4 1HG2 ILE 4 32.937 -12.513 -0.659 36 2HG2 ILE 4 2HG2 ILE 4 33.158 -10.953 -1.452 37 3HG2 ILE 4 3HG2 ILE 4 31.832 -12.010 -1.938 38 1HD1 ILE 4 1HD1 ILE 4 34.805 -10.327 -2.070 39 2HD1 ILE 4 2HD1 ILE 4 36.501 -10.746 -1.837 40 3HD1 ILE 4 3HD1 ILE 4 35.807 -10.756 -3.457 41 H PHE 5 H PHE 5 31.506 -15.006 -1.292 42 HA PHE 5 HA PHE 5 29.492 -14.640 -3.497 43 1HB PHE 5 1HB PHE 5 30.206 -17.046 -3.075 44 2HB PHE 5 2HB PHE 5 29.492 -16.891 -1.472 45 HD1 PHE 5 HD1 PHE 5 27.110 -16.916 -1.156 46 HD2 PHE 5 HD2 PHE 5 28.782 -16.810 -5.112 47 HE1 PHE 5 HE1 PHE 5 24.878 -17.416 -2.114 48 HE2 PHE 5 HE2 PHE 5 26.550 -17.308 -6.069 49 HZ PHE 5 HZ PHE 5 24.598 -17.613 -4.570 50 H VAL 6 H VAL 6 28.576 -12.755 -2.659 51 HA VAL 6 HA VAL 6 26.964 -13.094 -0.191 52 HB VAL 6 HB VAL 6 28.873 -10.764 -0.594 53 1HG1 VAL 6 1HG1 VAL 6 26.755 -11.389 1.474 54 2HG1 VAL 6 2HG1 VAL 6 28.057 -10.240 1.777 55 3HG1 VAL 6 3HG1 VAL 6 26.905 -9.943 0.477 56 1HG2 VAL 6 1HG2 VAL 6 28.861 -13.092 1.349 57 2HG2 VAL 6 2HG2 VAL 6 30.102 -12.707 0.155 58 3HG2 VAL 6 3HG2 VAL 6 29.865 -11.656 1.552 59 H LEU 7 H LEU 7 27.513 -11.825 -3.294 60 HA LEU 7 HA LEU 7 25.627 -9.641 -3.258 61 1HB LEU 7 1HB LEU 7 26.904 -11.293 -5.445 62 2HB LEU 7 2HB LEU 7 25.684 -10.075 -5.815 63 HG LEU 7 HG LEU 7 27.080 -8.386 -4.581 64 1HD1 LEU 7 1HD1 LEU 7 28.919 -10.775 -4.387 65 2HD1 LEU 7 2HD1 LEU 7 29.541 -9.126 -4.302 66 3HD1 LEU 7 3HD1 LEU 7 28.387 -9.697 -3.097 67 1HD2 LEU 7 1HD2 LEU 7 27.260 -9.029 -7.155 68 2HD2 LEU 7 2HD2 LEU 7 28.420 -7.920 -6.435 69 3HD2 LEU 7 3HD2 LEU 7 28.855 -9.610 -6.684 70 H ASN 8 H ASN 8 25.289 -13.058 -3.332 71 HA ASN 8 HA ASN 8 22.970 -13.517 -4.812 72 1HB ASN 8 1HB ASN 8 24.322 -15.214 -3.506 73 2HB ASN 8 2HB ASN 8 23.466 -14.679 -2.061 74 2HD2 ASN 8 2HD2 ASN 8 21.723 -16.021 -1.603 75 1HD2 ASN 8 1HD2 ASN 8 20.750 -16.792 -2.761 76 H ALA 9 H ALA 9 20.843 -13.000 -4.593 77 HA ALA 9 HA ALA 9 19.961 -11.603 -2.083 78 1HB ALA 9 1HB ALA 9 18.533 -10.190 -3.488 79 2HB ALA 9 2HB ALA 9 20.213 -10.046 -4.004 80 3HB ALA 9 3HB ALA 9 19.088 -11.036 -4.934 81 H GLN 10 H GLN 10 18.002 -12.257 -1.255 82 HA GLN 10 HA GLN 10 16.920 -14.790 -2.142 83 1HB GLN 10 1HB GLN 10 16.870 -14.087 0.228 84 2HB GLN 10 2HB GLN 10 15.796 -12.753 -0.189 85 1HG GLN 10 1HG GLN 10 14.085 -14.337 -0.953 86 2HG GLN 10 2HG GLN 10 15.165 -15.691 -0.611 87 2HE2 GLN 10 2HE2 GLN 10 12.747 -15.707 0.740 88 1HE2 GLN 10 1HE2 GLN 10 12.972 -15.292 2.371 89 H HIS 11 H HIS 11 14.889 -15.159 -3.172 90 HA HIS 11 HA HIS 11 14.136 -13.246 -5.159 91 1HB HIS 11 1HB HIS 11 13.701 -15.678 -5.373 92 2HB HIS 11 2HB HIS 11 12.522 -15.573 -4.065 93 HD1 HIS 11 HD1 HIS 11 10.272 -14.386 -4.564 94 HD2 HIS 11 HD2 HIS 11 12.839 -14.549 -7.844 95 HE1 HIS 11 HE1 HIS 11 8.898 -13.714 -6.583 96 H ASP 12 H ASP 12 13.563 -11.256 -4.276 97 HA ASP 12 HA ASP 12 10.905 -11.134 -2.998 98 1HB ASP 12 1HB ASP 12 12.562 -11.337 -1.120 99 2HB ASP 12 2HB ASP 12 13.327 -9.852 -1.690 100 H GLU 13 H GLU 13 9.848 -9.236 -3.551 101 HA GLU 13 HA GLU 13 11.081 -7.602 -5.634 102 1HB GLU 13 1HB GLU 13 8.393 -7.478 -4.237 103 2HB GLU 13 2HB GLU 13 8.868 -6.382 -5.535 104 1HG GLU 13 1HG GLU 13 9.218 -8.309 -7.039 105 2HG GLU 13 2HG GLU 13 8.741 -9.407 -5.743 106 H ALA 14 H ALA 14 12.100 -5.670 -5.322 107 HA ALA 14 HA ALA 14 12.551 -4.676 -2.634 108 1HB ALA 14 1HB ALA 14 14.309 -4.337 -4.223 109 2HB ALA 14 2HB ALA 14 13.632 -2.742 -3.916 110 3HB ALA 14 3HB ALA 14 13.207 -3.610 -5.390 111 H VAL 15 H VAL 15 11.520 -2.966 -1.595 112 HA VAL 15 HA VAL 15 9.106 -1.842 -2.963 113 HB VAL 15 HB VAL 15 8.295 -1.304 -0.746 114 1HG1 VAL 15 1HG1 VAL 15 8.152 -3.687 -1.605 115 2HG1 VAL 15 2HG1 VAL 15 9.551 -4.055 -0.595 116 3HG1 VAL 15 3HG1 VAL 15 8.043 -3.520 0.148 117 1HG2 VAL 15 1HG2 VAL 15 11.112 -2.033 0.072 118 2HG2 VAL 15 2HG2 VAL 15 10.201 -0.571 0.449 119 3HG2 VAL 15 3HG2 VAL 15 9.788 -2.094 1.234 120 H ASP 16 H ASP 16 9.131 0.255 -3.590 121 HA ASP 16 HA ASP 16 11.438 1.962 -2.756 122 1HB ASP 16 1HB ASP 16 10.942 3.297 -4.714 123 2HB ASP 16 2HB ASP 16 10.964 1.604 -5.203 124 H ALA 17 H ALA 17 10.805 4.380 -2.565 125 HA ALA 17 HA ALA 17 8.588 4.542 -0.623 126 1HB ALA 17 1HB ALA 17 10.688 5.687 -0.093 127 2HB ALA 17 2HB ALA 17 10.578 6.626 -1.583 128 3HB ALA 17 3HB ALA 17 9.398 6.872 -0.294 129 H ASN 18 H ASN 18 7.277 3.959 -2.797 130 HA ASN 18 HA ASN 18 5.812 6.384 -3.455 131 1HB ASN 18 1HB ASN 18 7.789 6.454 -5.027 132 2HB ASN 18 2HB ASN 18 7.200 4.948 -5.733 133 2HD2 ASN 18 2HD2 ASN 18 4.595 6.886 -4.653 134 1HD2 ASN 18 1HD2 ASN 18 4.184 7.577 -6.147 135 H SER 19 H SER 19 6.444 3.069 -4.656 136 HA SER 19 HA SER 19 3.772 2.593 -5.542 137 1HB SER 19 1HB SER 19 4.395 0.260 -5.639 138 2HB SER 19 2HB SER 19 5.791 1.209 -6.138 139 HG SER 19 HG SER 19 5.699 -0.564 -4.235 140 H LEU 20 H LEU 20 5.352 2.047 -2.403 141 HA LEU 20 HA LEU 20 3.232 0.608 -1.172 142 1HB LEU 20 1HB LEU 20 5.391 0.744 -0.084 143 2HB LEU 20 2HB LEU 20 5.290 2.500 0.003 144 HG LEU 20 HG LEU 20 3.423 2.361 1.575 145 1HD1 LEU 20 1HD1 LEU 20 3.598 -0.583 0.927 146 2HD1 LEU 20 2HD1 LEU 20 2.884 -0.032 2.441 147 3HD1 LEU 20 3HD1 LEU 20 2.181 0.465 0.904 148 1HD2 LEU 20 1HD2 LEU 20 5.718 0.507 2.283 149 2HD2 LEU 20 2HD2 LEU 20 5.657 2.250 2.546 150 3HD2 LEU 20 3HD2 LEU 20 4.581 1.185 3.450 151 H ALA 21 H ALA 21 3.880 4.135 -1.170 152 HA ALA 21 HA ALA 21 1.457 4.757 0.242 153 1HB ALA 21 1HB ALA 21 3.086 6.548 -1.580 154 2HB ALA 21 2HB ALA 21 3.432 6.282 0.129 155 3HB ALA 21 3HB ALA 21 1.933 7.076 -0.356 156 H GLU 22 H GLU 22 2.332 4.717 -3.201 157 HA GLU 22 HA GLU 22 -0.101 5.787 -4.204 158 1HB GLU 22 1HB GLU 22 1.959 5.432 -5.568 159 2HB GLU 22 2HB GLU 22 1.659 3.695 -5.514 160 1HG GLU 22 1HG GLU 22 -0.519 4.026 -6.614 161 2HG GLU 22 2HG GLU 22 -0.234 5.764 -6.667 162 H ALA 23 H ALA 23 0.791 2.444 -3.384 163 HA ALA 23 HA ALA 23 -1.526 1.174 -4.427 164 1HB ALA 23 1HB ALA 23 0.003 0.405 -1.923 165 2HB ALA 23 2HB ALA 23 0.496 -0.017 -3.563 166 3HB ALA 23 3HB ALA 23 -1.008 -0.657 -2.903 167 H LYS 24 H LYS 24 -0.942 2.577 -1.189 168 HA LYS 24 HA LYS 24 -3.584 1.918 -0.217 169 1HB LYS 24 1HB LYS 24 -1.530 3.956 0.680 170 2HB LYS 24 2HB LYS 24 -3.044 3.663 1.539 171 1HG LYS 24 1HG LYS 24 -2.416 1.243 1.704 172 2HG LYS 24 2HG LYS 24 -0.851 1.638 1.003 173 1HD LYS 24 1HD LYS 24 -1.954 2.891 3.537 174 2HD LYS 24 2HD LYS 24 -0.830 1.536 3.513 175 1HE LYS 24 1HE LYS 24 -0.351 4.381 2.625 176 2HE LYS 24 2HE LYS 24 0.550 3.431 3.803 177 1HZ LYS 24 1HZ LYS 24 1.177 1.936 1.928 178 2HZ LYS 24 2HZ LYS 24 0.505 3.075 0.861 179 3HZ LYS 24 3HZ LYS 24 1.828 3.502 1.832 180 H VAL 25 H VAL 25 -2.156 4.787 -1.768 181 HA VAL 25 HA VAL 25 -4.449 6.471 -1.512 182 HB VAL 25 HB VAL 25 -2.237 6.410 -3.573 183 1HG1 VAL 25 1HG1 VAL 25 -4.472 8.411 -3.158 184 2HG1 VAL 25 2HG1 VAL 25 -3.003 8.770 -4.066 185 3HG1 VAL 25 3HG1 VAL 25 -4.102 7.514 -4.633 186 1HG2 VAL 25 1HG2 VAL 25 -1.662 6.945 -1.182 187 2HG2 VAL 25 2HG2 VAL 25 -1.339 8.270 -2.299 188 3HG2 VAL 25 3HG2 VAL 25 -2.773 8.311 -1.274 189 H LEU 26 H LEU 26 -3.412 4.344 -4.206 190 HA LEU 26 HA LEU 26 -5.730 4.817 -5.821 191 1HB LEU 26 1HB LEU 26 -3.837 2.451 -5.683 192 2HB LEU 26 2HB LEU 26 -5.111 2.600 -6.889 193 HG LEU 26 HG LEU 26 -2.895 4.628 -6.469 194 1HD1 LEU 26 1HD1 LEU 26 -2.127 2.392 -7.316 195 2HD1 LEU 26 2HD1 LEU 26 -3.224 2.581 -8.683 196 3HD1 LEU 26 3HD1 LEU 26 -1.878 3.700 -8.473 197 1HD2 LEU 26 1HD2 LEU 26 -5.253 4.428 -8.336 198 2HD2 LEU 26 2HD2 LEU 26 -4.587 5.846 -7.525 199 3HD2 LEU 26 3HD2 LEU 26 -3.768 5.170 -8.929 200 H ALA 27 H ALA 27 -5.022 2.413 -3.312 201 HA ALA 27 HA ALA 27 -7.490 0.959 -3.646 202 1HB ALA 27 1HB ALA 27 -5.412 0.113 -2.467 203 2HB ALA 27 2HB ALA 27 -5.836 1.166 -1.118 204 3HB ALA 27 3HB ALA 27 -6.917 -0.145 -1.589 205 H ASN 28 H ASN 28 -6.529 3.733 -1.679 206 HA ASN 28 HA ASN 28 -8.798 3.846 0.038 207 1HB ASN 28 1HB ASN 28 -6.721 5.234 0.271 208 2HB ASN 28 2HB ASN 28 -7.258 6.194 -1.109 209 2HD2 ASN 28 2HD2 ASN 28 -7.938 5.432 2.282 210 1HD2 ASN 28 1HD2 ASN 28 -9.043 6.694 2.527 211 H ARG 29 H ARG 29 -8.294 5.144 -3.242 212 HA ARG 29 HA ARG 29 -10.820 6.524 -3.361 213 1HB ARG 29 1HB ARG 29 -8.957 5.522 -5.525 214 2HB ARG 29 2HB ARG 29 -10.413 6.460 -5.860 215 1HG ARG 29 1HG ARG 29 -9.526 8.233 -4.292 216 2HG ARG 29 2HG ARG 29 -8.013 7.329 -4.229 217 1HD ARG 29 1HD ARG 29 -9.306 8.544 -6.686 218 2HD ARG 29 2HD ARG 29 -7.792 9.040 -5.929 219 HE ARG 29 HE ARG 29 -7.356 6.384 -6.557 220 1HH1 ARG 29 1HH1 ARG 29 -6.499 5.725 -8.545 221 2HH1 ARG 29 2HH1 ARG 29 -6.695 6.740 -9.935 222 1HH2 ARG 29 1HH2 ARG 29 -8.455 9.192 -8.228 223 2HH2 ARG 29 2HH2 ARG 29 -7.804 8.701 -9.756 224 H GLU 30 H GLU 30 -9.838 3.213 -4.199 225 HA GLU 30 HA GLU 30 -12.177 2.503 -5.647 226 1HB GLU 30 1HB GLU 30 -10.342 0.836 -3.913 227 2HB GLU 30 2HB GLU 30 -11.639 0.146 -4.891 228 1HG GLU 30 1HG GLU 30 -10.656 0.964 -6.918 229 2HG GLU 30 2HG GLU 30 -9.475 1.927 -6.030 230 H LEU 31 H LEU 31 -11.566 2.389 -2.139 231 HA LEU 31 HA LEU 31 -14.135 1.195 -1.547 232 1HB LEU 31 1HB LEU 31 -12.634 2.986 0.372 233 2HB LEU 31 2HB LEU 31 -13.611 1.558 0.724 234 HG LEU 31 HG LEU 31 -10.925 1.622 -0.655 235 1HD1 LEU 31 1HD1 LEU 31 -10.900 1.869 1.819 236 2HD1 LEU 31 2HD1 LEU 31 -11.818 0.369 1.959 237 3HD1 LEU 31 3HD1 LEU 31 -10.183 0.344 1.301 238 1HD2 LEU 31 1HD2 LEU 31 -12.914 -0.615 -0.201 239 2HD2 LEU 31 2HD2 LEU 31 -12.181 -0.111 -1.724 240 3HD2 LEU 31 3HD2 LEU 31 -11.203 -0.925 -0.502 241 H ASP 32 H ASP 32 -12.972 4.405 -2.149 242 HA ASP 32 HA ASP 32 -15.043 5.933 -0.968 243 1HB ASP 32 1HB ASP 32 -12.846 6.725 -2.008 244 2HB ASP 32 2HB ASP 32 -13.669 6.620 -3.565 245 H LYS 33 H LYS 33 -14.863 4.466 -4.252 246 HA LYS 33 HA LYS 33 -17.439 5.551 -5.018 247 1HB LYS 33 1HB LYS 33 -17.338 3.681 -6.783 248 2HB LYS 33 2HB LYS 33 -16.062 4.895 -6.834 249 1HG LYS 33 1HG LYS 33 -14.522 3.419 -5.691 250 2HG LYS 33 2HG LYS 33 -15.798 2.238 -5.405 251 1HD LYS 33 1HD LYS 33 -14.628 1.382 -7.278 252 2HD LYS 33 2HD LYS 33 -16.054 2.150 -7.971 253 1HE LYS 33 1HE LYS 33 -14.790 4.097 -8.613 254 2HE LYS 33 2HE LYS 33 -13.381 3.554 -7.703 255 1HZ LYS 33 1HZ LYS 33 -14.412 1.708 -9.694 256 2HZ LYS 33 2HZ LYS 33 -13.693 3.124 -10.298 257 3HZ LYS 33 3HZ LYS 33 -12.806 2.088 -9.288 258 H TYR 34 H TYR 34 -16.371 2.478 -3.591 259 HA TYR 34 HA TYR 34 -19.013 1.302 -3.596 260 1HB TYR 34 1HB TYR 34 -16.512 0.666 -2.008 261 2HB TYR 34 2HB TYR 34 -17.999 -0.274 -1.883 262 HD1 TYR 34 HD1 TYR 34 -19.060 -0.908 -4.288 263 HD2 TYR 34 HD2 TYR 34 -14.902 -0.111 -3.536 264 HE1 TYR 34 HE1 TYR 34 -18.446 -2.166 -6.330 265 HE2 TYR 34 HE2 TYR 34 -14.295 -1.367 -5.580 266 HH TYR 34 HH TYR 34 -16.106 -1.967 -7.978 267 H GLY 35 H GLY 35 -17.254 3.418 -1.419 268 1HA GLY 35 1HA GLY 35 -19.758 3.858 0.109 269 2HA GLY 35 2HA GLY 35 -18.315 4.869 0.170 270 H VAL 36 H VAL 36 -17.398 1.643 0.365 271 HA VAL 36 HA VAL 36 -17.782 1.389 3.280 272 HB VAL 36 HB VAL 36 -16.799 -0.817 2.992 273 1HG1 VAL 36 1HG1 VAL 36 -18.697 -0.113 0.738 274 2HG1 VAL 36 2HG1 VAL 36 -18.365 -1.747 1.308 275 3HG1 VAL 36 3HG1 VAL 36 -19.156 -0.588 2.372 276 1HG2 VAL 36 1HG2 VAL 36 -16.086 0.255 0.259 277 2HG2 VAL 36 2HG2 VAL 36 -15.010 -0.443 1.467 278 3HG2 VAL 36 3HG2 VAL 36 -16.140 -1.476 0.592 279 H SER 37 H SER 37 -16.063 3.544 2.183 280 HA SER 37 HA SER 37 -13.300 2.747 2.703 281 1HB SER 37 1HB SER 37 -14.278 5.599 2.599 282 2HB SER 37 2HB SER 37 -12.717 4.948 2.105 283 HG SER 37 HG SER 37 -15.158 4.993 0.786 284 H ASP 38 H ASP 38 -15.197 5.338 4.191 285 HA ASP 38 HA ASP 38 -14.303 6.347 6.288 286 1HB ASP 38 1HB ASP 38 -16.548 4.355 6.608 287 2HB ASP 38 2HB ASP 38 -16.092 5.493 7.875 288 H TYR 39 H TYR 39 -15.314 3.448 7.887 289 HA TYR 39 HA TYR 39 -13.068 3.433 9.615 290 1HB TYR 39 1HB TYR 39 -15.149 2.339 10.230 291 2HB TYR 39 2HB TYR 39 -14.979 1.195 8.899 292 HD1 TYR 39 HD1 TYR 39 -13.748 2.163 12.233 293 HD2 TYR 39 HD2 TYR 39 -13.308 -0.572 8.953 294 HE1 TYR 39 HE1 TYR 39 -12.370 0.674 13.660 295 HE2 TYR 39 HE2 TYR 39 -11.934 -2.059 10.374 296 HH TYR 39 HH TYR 39 -10.842 -1.077 13.551 297 H TYR 40 H TYR 40 -13.707 1.355 6.777 298 HA TYR 40 HA TYR 40 -11.306 -0.168 7.008 299 1HB TYR 40 1HB TYR 40 -12.941 0.486 4.546 300 2HB TYR 40 2HB TYR 40 -11.701 -0.762 4.632 301 HD1 TYR 40 HD1 TYR 40 -15.075 0.233 5.718 302 HD2 TYR 40 HD2 TYR 40 -12.047 -2.807 5.930 303 HE1 TYR 40 HE1 TYR 40 -16.735 -1.356 6.651 304 HE2 TYR 40 HE2 TYR 40 -13.707 -4.395 6.864 305 HH TYR 40 HH TYR 40 -16.041 -4.006 8.261 306 H LYS 41 H LYS 41 -11.795 3.088 5.834 307 HA LYS 41 HA LYS 41 -9.494 3.138 4.098 308 1HB LYS 41 1HB LYS 41 -10.092 5.322 3.698 309 2HB LYS 41 2HB LYS 41 -11.581 4.849 4.505 310 1HG LYS 41 1HG LYS 41 -10.550 5.643 6.681 311 2HG LYS 41 2HG LYS 41 -9.215 6.297 5.740 312 1HD LYS 41 1HD LYS 41 -12.075 7.026 5.097 313 2HD LYS 41 2HD LYS 41 -11.174 7.885 6.342 314 1HE LYS 41 1HE LYS 41 -10.296 7.570 3.455 315 2HE LYS 41 2HE LYS 41 -10.995 9.025 4.158 316 1HZ LYS 41 1HZ LYS 41 -8.880 8.162 5.784 317 2HZ LYS 41 2HZ LYS 41 -8.326 8.225 4.180 318 3HZ LYS 41 3HZ LYS 41 -9.011 9.604 4.900 319 H ASN 42 H ASN 42 -10.019 3.889 7.509 320 HA ASN 42 HA ASN 42 -7.361 4.841 8.005 321 1HB ASN 42 1HB ASN 42 -9.357 5.196 9.516 322 2HB ASN 42 2HB ASN 42 -9.204 3.507 10.003 323 2HD2 ASN 42 2HD2 ASN 42 -8.663 4.240 12.227 324 1HD2 ASN 42 1HD2 ASN 42 -7.115 4.843 12.571 325 H LEU 43 H LEU 43 -8.870 1.647 8.153 326 HA LEU 43 HA LEU 43 -6.715 0.255 9.369 327 1HB LEU 43 1HB LEU 43 -8.955 -0.728 9.044 328 2HB LEU 43 2HB LEU 43 -8.705 -0.733 7.301 329 HG LEU 43 HG LEU 43 -6.798 -2.276 7.570 330 1HD1 LEU 43 1HD1 LEU 43 -7.405 -1.836 10.489 331 2HD1 LEU 43 2HD1 LEU 43 -6.712 -3.372 9.968 332 3HD1 LEU 43 3HD1 LEU 43 -5.844 -1.869 9.670 333 1HD2 LEU 43 1HD2 LEU 43 -9.222 -3.056 7.373 334 2HD2 LEU 43 2HD2 LEU 43 -8.099 -4.230 8.061 335 3HD2 LEU 43 3HD2 LEU 43 -9.183 -3.323 9.116 336 H ILE 44 H ILE 44 -7.338 1.057 5.951 337 HA ILE 44 HA ILE 44 -5.137 -0.405 4.867 338 HB ILE 44 HB ILE 44 -6.455 2.165 3.932 339 1HG1 ILE 44 1HG1 ILE 44 -7.743 -0.119 4.083 340 2HG1 ILE 44 2HG1 ILE 44 -7.866 0.838 2.612 341 1HG2 ILE 44 1HG2 ILE 44 -4.384 0.398 2.631 342 2HG2 ILE 44 2HG2 ILE 44 -5.429 1.463 1.692 343 3HG2 ILE 44 3HG2 ILE 44 -4.326 2.142 2.889 344 1HD1 ILE 44 1HD1 ILE 44 -5.804 -1.360 2.925 345 2HD1 ILE 44 2HD1 ILE 44 -7.420 -1.663 2.296 346 3HD1 ILE 44 3HD1 ILE 44 -6.331 -0.568 1.446 347 H ASN 45 H ASN 45 -5.390 2.891 6.148 348 HA ASN 45 HA ASN 45 -2.755 3.762 5.563 349 1HB ASN 45 1HB ASN 45 -4.654 5.172 6.472 350 2HB ASN 45 2HB ASN 45 -4.333 4.460 8.054 351 2HD2 ASN 45 2HD2 ASN 45 -3.805 6.832 8.617 352 1HD2 ASN 45 1HD2 ASN 45 -2.229 7.379 8.302 353 H ASN 46 H ASN 46 -3.980 1.657 8.098 354 HA ASN 46 HA ASN 46 -1.426 1.683 9.567 355 1HB ASN 46 1HB ASN 46 -4.000 0.123 9.909 356 2HB ASN 46 2HB ASN 46 -2.592 -0.095 10.947 357 2HD2 ASN 46 2HD2 ASN 46 -5.122 0.909 11.934 358 1HD2 ASN 46 1HD2 ASN 46 -4.881 2.512 12.436 359 H ALA 47 H ALA 47 -2.168 0.392 6.694 360 HA ALA 47 HA ALA 47 -1.574 -2.384 6.891 361 1HB ALA 47 1HB ALA 47 -2.435 -1.234 4.839 362 2HB ALA 47 2HB ALA 47 -1.044 -2.271 4.517 363 3HB ALA 47 3HB ALA 47 -0.838 -0.521 4.614 364 H LYS 48 H LYS 48 0.325 -3.483 7.181 365 HA LYS 48 HA LYS 48 2.864 -1.882 7.321 366 1HB LYS 48 1HB LYS 48 1.997 -4.382 8.792 367 2HB LYS 48 2HB LYS 48 3.649 -3.764 8.816 368 1HG LYS 48 1HG LYS 48 2.823 -1.608 9.706 369 2HG LYS 48 2HG LYS 48 1.179 -2.246 9.707 370 1HD LYS 48 1HD LYS 48 3.498 -3.441 11.256 371 2HD LYS 48 2HD LYS 48 2.263 -2.392 11.950 372 1HE LYS 48 1HE LYS 48 1.348 -4.468 12.447 373 2HE LYS 48 2HE LYS 48 0.617 -4.199 10.865 374 1HZ LYS 48 1HZ LYS 48 3.179 -5.322 10.539 375 2HZ LYS 48 2HZ LYS 48 2.297 -6.272 11.638 376 3HZ LYS 48 3HZ LYS 48 1.675 -5.963 10.088 377 H THR 49 H THR 49 1.225 -4.269 5.547 378 HA THR 49 HA THR 49 3.797 -5.113 4.246 379 HB THR 49 HB THR 49 2.753 -7.352 3.875 380 HG1 THR 49 HG1 THR 49 0.858 -7.831 4.871 381 1HG2 THR 49 1HG2 THR 49 4.203 -6.662 5.948 382 2HG2 THR 49 2HG2 THR 49 2.684 -6.814 6.835 383 3HG2 THR 49 3HG2 THR 49 3.348 -8.203 5.974 384 H VAL 50 H VAL 50 3.725 -5.183 2.001 385 HA VAL 50 HA VAL 50 1.678 -3.657 0.664 386 HB VAL 50 HB VAL 50 3.794 -5.519 -0.423 387 1HG1 VAL 50 1HG1 VAL 50 1.938 -3.564 -1.789 388 2HG1 VAL 50 2HG1 VAL 50 3.428 -4.137 -2.537 389 3HG1 VAL 50 3HG1 VAL 50 2.147 -5.281 -2.137 390 1HG2 VAL 50 1HG2 VAL 50 4.488 -3.445 0.910 391 2HG2 VAL 50 2HG2 VAL 50 5.139 -3.569 -0.724 392 3HG2 VAL 50 3HG2 VAL 50 3.779 -2.498 -0.396 393 H GLU 51 H GLU 51 2.379 -7.144 0.858 394 HA GLU 51 HA GLU 51 0.353 -8.010 -0.947 395 1HB GLU 51 1HB GLU 51 1.554 -9.342 1.499 396 2HB GLU 51 2HB GLU 51 0.453 -10.161 0.391 397 1HG GLU 51 1HG GLU 51 2.686 -10.702 -0.318 398 2HG GLU 51 2HG GLU 51 2.042 -9.547 -1.484 399 H GLY 52 H GLY 52 0.309 -7.289 2.506 400 1HA GLY 52 1HA GLY 52 -1.482 -6.904 3.961 401 2HA GLY 52 2HA GLY 52 -2.369 -8.110 3.028 402 H VAL 53 H VAL 53 -1.019 -5.092 1.697 403 HA VAL 53 HA VAL 53 -3.410 -3.537 1.905 404 HB VAL 53 HB VAL 53 -1.130 -3.430 -0.086 405 1HG1 VAL 53 1HG1 VAL 53 -3.565 -1.671 0.229 406 2HG1 VAL 53 2HG1 VAL 53 -2.064 -1.049 -0.462 407 3HG1 VAL 53 3HG1 VAL 53 -2.913 -2.382 -1.248 408 1HG2 VAL 53 1HG2 VAL 53 -1.883 -1.739 2.318 409 2HG2 VAL 53 2HG2 VAL 53 -0.561 -2.904 2.251 410 3HG2 VAL 53 3HG2 VAL 53 -0.501 -1.444 1.263 411 H LYS 54 H LYS 54 -2.232 -5.536 -0.832 412 HA LYS 54 HA LYS 54 -4.684 -5.111 -2.333 413 1HB LYS 54 1HB LYS 54 -3.737 -6.946 -3.804 414 2HB LYS 54 2HB LYS 54 -2.700 -5.538 -3.592 415 1HG LYS 54 1HG LYS 54 -1.339 -6.688 -1.969 416 2HG LYS 54 2HG LYS 54 -2.463 -8.043 -1.908 417 1HD LYS 54 1HD LYS 54 -0.519 -8.614 -3.296 418 2HD LYS 54 2HD LYS 54 -1.979 -8.551 -4.280 419 1HE LYS 54 1HE LYS 54 -0.234 -6.109 -3.995 420 2HE LYS 54 2HE LYS 54 0.172 -7.368 -5.162 421 1HZ LYS 54 1HZ LYS 54 -2.583 -6.746 -5.307 422 2HZ LYS 54 2HZ LYS 54 -1.665 -5.327 -5.472 423 3HZ LYS 54 3HZ LYS 54 -1.396 -6.634 -6.518 424 H ALA 55 H ALA 55 -3.466 -7.681 -0.224 425 HA ALA 55 HA ALA 55 -5.589 -9.542 -0.812 426 1HB ALA 55 1HB ALA 55 -3.995 -9.367 1.755 427 2HB ALA 55 2HB ALA 55 -4.771 -10.795 1.068 428 3HB ALA 55 3HB ALA 55 -3.362 -10.089 0.275 429 H LEU 56 H LEU 56 -5.170 -7.021 1.634 430 HA LEU 56 HA LEU 56 -7.452 -7.630 3.212 431 1HB LEU 56 1HB LEU 56 -5.708 -6.020 3.910 432 2HB LEU 56 2HB LEU 56 -6.203 -4.926 2.621 433 HG LEU 56 HG LEU 56 -8.462 -4.768 3.645 434 1HD1 LEU 56 1HD1 LEU 56 -7.228 -6.740 5.561 435 2HD1 LEU 56 2HD1 LEU 56 -8.459 -5.621 6.146 436 3HD1 LEU 56 3HD1 LEU 56 -8.839 -6.743 4.843 437 1HD2 LEU 56 1HD2 LEU 56 -6.674 -3.147 4.219 438 2HD2 LEU 56 2HD2 LEU 56 -7.768 -3.410 5.576 439 3HD2 LEU 56 3HD2 LEU 56 -6.183 -4.179 5.561 440 H ILE 57 H ILE 57 -7.051 -5.464 0.415 441 HA ILE 57 HA ILE 57 -9.770 -4.622 0.244 442 HB ILE 57 HB ILE 57 -7.798 -5.035 -2.019 443 1HG1 ILE 57 1HG1 ILE 57 -7.129 -3.508 -0.006 444 2HG1 ILE 57 2HG1 ILE 57 -6.959 -2.865 -1.635 445 1HG2 ILE 57 1HG2 ILE 57 -10.402 -3.537 -1.779 446 2HG2 ILE 57 2HG2 ILE 57 -9.205 -3.114 -3.003 447 3HG2 ILE 57 3HG2 ILE 57 -9.917 -4.725 -2.987 448 1HD1 ILE 57 1HD1 ILE 57 -9.446 -2.393 0.033 449 2HD1 ILE 57 2HD1 ILE 57 -8.062 -1.312 0.072 450 3HD1 ILE 57 3HD1 ILE 57 -8.947 -1.552 -1.431 451 H ASP 58 H ASP 58 -8.065 -7.452 -1.037 452 HA ASP 58 HA ASP 58 -10.176 -8.406 -2.707 453 1HB ASP 58 1HB ASP 58 -8.036 -9.901 -1.163 454 2HB ASP 58 2HB ASP 58 -9.126 -10.678 -2.309 455 H GLU 59 H GLU 59 -9.542 -8.844 0.757 456 HA GLU 59 HA GLU 59 -11.764 -10.636 1.196 457 1HB GLU 59 1HB GLU 59 -10.165 -8.857 3.060 458 2HB GLU 59 2HB GLU 59 -11.426 -9.957 3.617 459 1HG GLU 59 1HG GLU 59 -9.035 -10.834 1.974 460 2HG GLU 59 2HG GLU 59 -9.103 -10.926 3.735 461 H ILE 60 H ILE 60 -11.288 -7.131 1.420 462 HA ILE 60 HA ILE 60 -13.903 -6.579 2.474 463 HB ILE 60 HB ILE 60 -11.996 -4.809 0.925 464 1HG1 ILE 60 1HG1 ILE 60 -12.539 -4.927 3.904 465 2HG1 ILE 60 2HG1 ILE 60 -11.215 -5.803 3.134 466 1HG2 ILE 60 1HG2 ILE 60 -14.542 -4.237 2.451 467 2HG2 ILE 60 2HG2 ILE 60 -13.335 -2.991 2.139 468 3HG2 ILE 60 3HG2 ILE 60 -14.146 -3.790 0.792 469 1HD1 ILE 60 1HD1 ILE 60 -11.605 -2.821 2.804 470 2HD1 ILE 60 2HD1 ILE 60 -10.612 -3.516 4.086 471 3HD1 ILE 60 3HD1 ILE 60 -10.180 -3.777 2.396 472 H LEU 61 H LEU 61 -12.569 -6.578 -0.833 473 HA LEU 61 HA LEU 61 -15.061 -5.757 -2.051 474 1HB LEU 61 1HB LEU 61 -12.613 -7.150 -3.182 475 2HB LEU 61 2HB LEU 61 -13.987 -6.662 -4.172 476 HG LEU 61 HG LEU 61 -12.239 -4.818 -2.510 477 1HD1 LEU 61 1HD1 LEU 61 -11.224 -5.787 -4.599 478 2HD1 LEU 61 2HD1 LEU 61 -12.539 -5.058 -5.519 479 3HD1 LEU 61 3HD1 LEU 61 -11.399 -4.031 -4.649 480 1HD2 LEU 61 1HD2 LEU 61 -14.804 -4.401 -4.028 481 2HD2 LEU 61 2HD2 LEU 61 -14.250 -3.644 -2.535 482 3HD2 LEU 61 3HD2 LEU 61 -13.593 -3.120 -4.083 483 H ALA 62 H ALA 62 -13.682 -8.823 -1.086 484 HA ALA 62 HA ALA 62 -15.429 -10.524 -2.583 485 1HB ALA 62 1HB ALA 62 -14.012 -10.934 0.065 486 2HB ALA 62 2HB ALA 62 -14.888 -12.210 -0.781 487 3HB ALA 62 3HB ALA 62 -13.472 -11.468 -1.527 488 H ALA 63 H ALA 63 -15.947 -8.553 0.230 489 HA ALA 63 HA ALA 63 -18.708 -9.709 0.508 490 1HB ALA 63 1HB ALA 63 -18.522 -9.146 2.950 491 2HB ALA 63 2HB ALA 63 -16.812 -8.804 2.691 492 3HB ALA 63 3HB ALA 63 -17.435 -10.434 2.433 493 H LEU 64 H LEU 64 -18.160 -7.482 -1.158 494 HA LEU 64 HA LEU 64 -18.516 -5.007 0.283 495 1HB LEU 64 1HB LEU 64 -19.017 -4.042 -1.945 496 2HB LEU 64 2HB LEU 64 -17.596 -5.073 -2.004 497 HG LEU 64 HG LEU 64 -19.511 -6.925 -2.597 498 1HD1 LEU 64 1HD1 LEU 64 -20.547 -4.272 -3.649 499 2HD1 LEU 64 2HD1 LEU 64 -21.026 -5.833 -4.307 500 3HD1 LEU 64 3HD1 LEU 64 -21.409 -5.428 -2.639 501 1HD2 LEU 64 1HD2 LEU 64 -18.123 -5.014 -4.499 502 2HD2 LEU 64 2HD2 LEU 64 -17.541 -6.589 -3.958 503 3HD2 LEU 64 3HD2 LEU 64 -18.947 -6.485 -5.017 504 HA PRO 65 HA PRO 65 -22.869 -5.373 1.200 505 1HB PRO 65 1HB PRO 65 -23.634 -2.692 0.614 506 2HB PRO 65 2HB PRO 65 -23.121 -3.329 2.180 507 1HG PRO 65 1HG PRO 65 -21.620 -1.650 0.275 508 2HG PRO 65 2HG PRO 65 -21.335 -1.912 2.000 509 1HD PRO 65 1HD PRO 65 -19.776 -2.977 -0.078 510 2HD PRO 65 2HD PRO 65 -19.794 -3.577 1.596 No H/Q in entry = 510 Start of MODEL 3 1 H1 MET 1 H1 MET 1 28.230 20.531 -0.815 2 H2 MET 1 H2 MET 1 28.782 19.728 -2.207 3 H3 MET 1 H3 MET 1 28.173 21.306 -2.326 4 HA MET 1 HA MET 1 25.978 20.615 -1.842 5 1HB MET 1 1HB MET 1 25.760 18.704 -3.623 6 2HB MET 1 2HB MET 1 26.344 20.286 -4.136 7 1HG MET 1 1HG MET 1 28.296 18.175 -3.230 8 2HG MET 1 2HG MET 1 27.672 18.167 -4.879 9 1HE MET 1 1HE MET 1 30.520 18.210 -4.342 10 2HE MET 1 2HE MET 1 31.410 19.729 -4.424 11 3HE MET 1 3HE MET 1 30.644 19.228 -2.909 12 H LYS 2 H LYS 2 28.175 18.954 -0.166 13 HA LYS 2 HA LYS 2 26.997 16.340 0.115 14 1HB LYS 2 1HB LYS 2 28.906 18.006 1.747 15 2HB LYS 2 2HB LYS 2 28.222 16.547 2.462 16 1HG LYS 2 1HG LYS 2 30.342 15.996 1.395 17 2HG LYS 2 2HG LYS 2 29.029 15.246 0.489 18 1HD LYS 2 1HD LYS 2 29.102 16.980 -1.190 19 2HD LYS 2 2HD LYS 2 30.244 17.925 -0.233 20 1HE LYS 2 1HE LYS 2 31.980 16.298 -0.536 21 2HE LYS 2 2HE LYS 2 30.850 15.129 -1.221 22 1HZ LYS 2 1HZ LYS 2 31.572 17.745 -2.427 23 2HZ LYS 2 2HZ LYS 2 32.142 16.233 -2.940 24 3HZ LYS 2 3HZ LYS 2 30.492 16.611 -3.088 25 H ALA 3 H ALA 3 25.384 15.632 1.508 26 HA ALA 3 HA ALA 3 23.659 17.739 2.659 27 1HB ALA 3 1HB ALA 3 22.194 15.672 3.180 28 2HB ALA 3 2HB ALA 3 23.345 14.772 2.191 29 3HB ALA 3 3HB ALA 3 22.422 16.098 1.483 30 H ILE 4 H ILE 4 22.546 16.612 4.833 31 HA ILE 4 HA ILE 4 24.842 16.313 6.742 32 HB ILE 4 HB ILE 4 22.953 17.011 8.417 33 1HG1 ILE 4 1HG1 ILE 4 21.269 16.757 6.348 34 2HG1 ILE 4 2HG1 ILE 4 21.006 17.973 7.590 35 1HG2 ILE 4 1HG2 ILE 4 24.322 18.822 6.429 36 2HG2 ILE 4 2HG2 ILE 4 23.330 19.473 7.735 37 3HG2 ILE 4 3HG2 ILE 4 24.754 18.503 8.110 38 1HD1 ILE 4 1HD1 ILE 4 22.649 18.690 5.171 39 2HD1 ILE 4 2HD1 ILE 4 20.891 18.659 5.056 40 3HD1 ILE 4 3HD1 ILE 4 21.681 19.728 6.212 41 H PHE 5 H PHE 5 21.586 15.656 7.739 42 HA PHE 5 HA PHE 5 22.272 13.032 8.669 43 1HB PHE 5 1HB PHE 5 19.610 14.423 8.311 44 2HB PHE 5 2HB PHE 5 19.772 12.824 9.037 45 HD1 PHE 5 HD1 PHE 5 20.911 12.516 11.179 46 HD2 PHE 5 HD2 PHE 5 20.431 16.420 9.453 47 HE1 PHE 5 HE1 PHE 5 21.514 13.549 13.349 48 HE2 PHE 5 HE2 PHE 5 21.035 17.455 11.625 49 HZ PHE 5 HZ PHE 5 21.575 16.018 13.574 50 H VAL 6 H VAL 6 20.563 14.159 5.758 51 HA VAL 6 HA VAL 6 19.923 11.431 4.922 52 HB VAL 6 HB VAL 6 19.908 13.981 3.278 53 1HG1 VAL 6 1HG1 VAL 6 19.741 11.732 2.096 54 2HG1 VAL 6 2HG1 VAL 6 18.237 11.471 2.981 55 3HG1 VAL 6 3HG1 VAL 6 18.372 12.812 1.845 56 1HG2 VAL 6 1HG2 VAL 6 17.843 12.760 5.126 57 2HG2 VAL 6 2HG2 VAL 6 18.528 14.383 5.203 58 3HG2 VAL 6 3HG2 VAL 6 17.433 13.949 3.890 59 H LEU 7 H LEU 7 21.642 10.133 4.397 60 HA LEU 7 HA LEU 7 23.375 10.930 2.177 61 1HB LEU 7 1HB LEU 7 24.434 11.928 4.248 62 2HB LEU 7 2HB LEU 7 24.646 10.292 4.858 63 HG LEU 7 HG LEU 7 25.698 11.126 2.143 64 1HD1 LEU 7 1HD1 LEU 7 26.913 11.554 4.867 65 2HD1 LEU 7 2HD1 LEU 7 27.940 11.323 3.451 66 3HD1 LEU 7 3HD1 LEU 7 26.809 12.673 3.508 67 1HD2 LEU 7 1HD2 LEU 7 25.957 8.721 3.898 68 2HD2 LEU 7 2HD2 LEU 7 26.033 8.856 2.145 69 3HD2 LEU 7 3HD2 LEU 7 27.442 9.254 3.118 70 H ASN 8 H ASN 8 22.740 8.580 4.782 71 HA ASN 8 HA ASN 8 24.084 6.357 3.643 72 1HB ASN 8 1HB ASN 8 21.529 6.366 5.283 73 2HB ASN 8 2HB ASN 8 22.575 4.971 5.018 74 2HD2 ASN 8 2HD2 ASN 8 21.898 7.033 7.418 75 1HD2 ASN 8 1HD2 ASN 8 23.432 7.232 8.119 76 H ALA 9 H ALA 9 23.719 5.350 1.748 77 HA ALA 9 HA ALA 9 21.395 5.902 0.119 78 1HB ALA 9 1HB ALA 9 23.519 3.751 -0.133 79 2HB ALA 9 2HB ALA 9 22.342 4.163 -1.380 80 3HB ALA 9 3HB ALA 9 23.560 5.342 -0.893 81 H GLN 10 H GLN 10 22.404 3.167 2.144 82 HA GLN 10 HA GLN 10 20.222 1.437 1.429 83 1HB GLN 10 1HB GLN 10 21.996 1.565 3.883 84 2HB GLN 10 2HB GLN 10 20.808 0.290 3.614 85 1HG GLN 10 1HG GLN 10 21.922 -0.424 1.596 86 2HG GLN 10 2HG GLN 10 23.004 0.969 1.641 87 2HE2 GLN 10 2HE2 GLN 10 23.998 -1.744 1.658 88 1HE2 GLN 10 1HE2 GLN 10 24.742 -2.017 3.159 89 H HIS 11 H HIS 11 18.168 1.248 2.333 90 HA HIS 11 HA HIS 11 17.466 2.673 4.787 91 1HB HIS 11 1HB HIS 11 17.416 4.346 2.752 92 2HB HIS 11 2HB HIS 11 15.920 3.516 2.331 93 HD1 HIS 11 HD1 HIS 11 17.274 6.109 4.526 94 HD2 HIS 11 HD2 HIS 11 13.932 3.617 4.551 95 HE1 HIS 11 HE1 HIS 11 15.659 7.095 6.208 96 H ASP 12 H ASP 12 15.129 2.243 5.344 97 HA ASP 12 HA ASP 12 14.460 -0.499 4.940 98 1HB ASP 12 1HB ASP 12 12.791 1.844 5.884 99 2HB ASP 12 2HB ASP 12 12.213 0.178 5.891 100 H GLU 13 H GLU 13 13.281 2.444 3.339 101 HA GLU 13 HA GLU 13 11.200 1.246 1.829 102 1HB GLU 13 1HB GLU 13 12.988 3.618 1.246 103 2HB GLU 13 2HB GLU 13 11.602 3.180 0.245 104 1HG GLU 13 1HG GLU 13 10.112 3.382 2.190 105 2HG GLU 13 2HG GLU 13 11.488 3.791 3.216 106 H ALA 14 H ALA 14 11.181 0.150 -0.115 107 HA ALA 14 HA ALA 14 13.583 -1.215 -0.941 108 1HB ALA 14 1HB ALA 14 12.210 -2.223 -2.640 109 2HB ALA 14 2HB ALA 14 11.219 -2.084 -1.189 110 3HB ALA 14 3HB ALA 14 11.008 -0.938 -2.512 111 H VAL 15 H VAL 15 13.096 -1.023 -3.836 112 HA VAL 15 HA VAL 15 14.858 1.196 -4.387 113 HB VAL 15 HB VAL 15 14.549 0.599 -6.750 114 1HG1 VAL 15 1HG1 VAL 15 16.042 -0.761 -5.290 115 2HG1 VAL 15 2HG1 VAL 15 14.697 -1.862 -4.985 116 3HG1 VAL 15 3HG1 VAL 15 15.353 -1.700 -6.614 117 1HG2 VAL 15 1HG2 VAL 15 12.305 -1.111 -5.642 118 2HG2 VAL 15 2HG2 VAL 15 12.195 0.147 -6.874 119 3HG2 VAL 15 3HG2 VAL 15 13.011 -1.372 -7.237 120 H ASP 16 H ASP 16 11.354 0.691 -4.738 121 HA ASP 16 HA ASP 16 11.071 3.651 -5.182 122 1HB ASP 16 1HB ASP 16 9.607 1.396 -6.585 123 2HB ASP 16 2HB ASP 16 9.090 3.082 -6.639 124 H ALA 17 H ALA 17 9.920 4.506 -3.533 125 HA ALA 17 HA ALA 17 8.227 2.738 -1.853 126 1HB ALA 17 1HB ALA 17 8.144 4.646 -0.319 127 2HB ALA 17 2HB ALA 17 8.931 5.671 -1.519 128 3HB ALA 17 3HB ALA 17 9.815 4.331 -0.787 129 H ASN 18 H ASN 18 7.864 4.819 -4.502 130 HA ASN 18 HA ASN 18 5.389 6.103 -3.961 131 1HB ASN 18 1HB ASN 18 6.796 6.639 -5.914 132 2HB ASN 18 2HB ASN 18 6.444 5.054 -6.604 133 2HD2 ASN 18 2HD2 ASN 18 5.142 5.635 -8.396 134 1HD2 ASN 18 1HD2 ASN 18 3.695 6.512 -8.264 135 H SER 19 H SER 19 6.070 2.872 -5.286 136 HA SER 19 HA SER 19 3.398 2.151 -5.930 137 1HB SER 19 1HB SER 19 5.381 0.843 -6.617 138 2HB SER 19 2HB SER 19 5.645 0.372 -4.941 139 HG SER 19 HG SER 19 4.450 -1.177 -6.200 140 H LEU 20 H LEU 20 5.214 1.750 -2.888 141 HA LEU 20 HA LEU 20 3.185 0.356 -1.457 142 1HB LEU 20 1HB LEU 20 5.501 0.596 -0.629 143 2HB LEU 20 2HB LEU 20 5.260 2.328 -0.430 144 HG LEU 20 HG LEU 20 3.421 1.832 1.209 145 1HD1 LEU 20 1HD1 LEU 20 4.285 -0.986 0.581 146 2HD1 LEU 20 2HD1 LEU 20 3.599 -0.593 2.156 147 3HD1 LEU 20 3HD1 LEU 20 2.652 -0.329 0.697 148 1HD2 LEU 20 1HD2 LEU 20 5.788 2.282 1.891 149 2HD2 LEU 20 2HD2 LEU 20 4.921 1.253 3.031 150 3HD2 LEU 20 3HD2 LEU 20 6.076 0.543 1.903 151 H ALA 21 H ALA 21 3.893 3.850 -1.620 152 HA ALA 21 HA ALA 21 1.588 4.582 -0.072 153 1HB ALA 21 1HB ALA 21 3.765 5.921 -0.520 154 2HB ALA 21 2HB ALA 21 2.968 6.429 -2.009 155 3HB ALA 21 3HB ALA 21 2.243 6.807 -0.445 156 H GLU 22 H GLU 22 2.240 4.505 -3.579 157 HA GLU 22 HA GLU 22 -0.223 5.690 -4.397 158 1HB GLU 22 1HB GLU 22 1.740 5.290 -5.902 159 2HB GLU 22 2HB GLU 22 1.362 3.567 -5.871 160 1HG GLU 22 1HG GLU 22 -0.868 4.029 -6.814 161 2HG GLU 22 2HG GLU 22 -0.501 5.754 -6.847 162 H ALA 23 H ALA 23 0.621 2.308 -3.710 163 HA ALA 23 HA ALA 23 -1.811 1.139 -4.603 164 1HB ALA 23 1HB ALA 23 -1.269 -0.687 -2.974 165 2HB ALA 23 2HB ALA 23 0.106 -0.243 -3.985 166 3HB ALA 23 3HB ALA 23 0.017 0.327 -2.319 167 H LYS 24 H LYS 24 -0.919 2.571 -1.472 168 HA LYS 24 HA LYS 24 -3.442 2.000 -0.192 169 1HB LYS 24 1HB LYS 24 -1.307 4.077 0.371 170 2HB LYS 24 2HB LYS 24 -2.690 3.777 1.423 171 1HG LYS 24 1HG LYS 24 -1.986 1.429 1.685 172 2HG LYS 24 2HG LYS 24 -0.598 1.729 0.637 173 1HD LYS 24 1HD LYS 24 0.234 3.433 2.218 174 2HD LYS 24 2HD LYS 24 -1.149 3.130 3.268 175 1HE LYS 24 1HE LYS 24 -0.439 0.803 3.576 176 2HE LYS 24 2HE LYS 24 0.919 1.058 2.480 177 1HZ LYS 24 1HZ LYS 24 1.624 2.880 4.032 178 2HZ LYS 24 2HZ LYS 24 0.469 2.298 5.132 179 3HZ LYS 24 3HZ LYS 24 1.758 1.305 4.653 180 H VAL 25 H VAL 25 -2.164 4.791 -1.991 181 HA VAL 25 HA VAL 25 -4.396 6.523 -1.522 182 HB VAL 25 HB VAL 25 -2.357 6.404 -3.755 183 1HG1 VAL 25 1HG1 VAL 25 -4.506 8.468 -3.193 184 2HG1 VAL 25 2HG1 VAL 25 -3.111 8.769 -4.226 185 3HG1 VAL 25 3HG1 VAL 25 -4.286 7.538 -4.678 186 1HG2 VAL 25 1HG2 VAL 25 -1.575 6.934 -1.439 187 2HG2 VAL 25 2HG2 VAL 25 -1.347 8.272 -2.566 188 3HG2 VAL 25 3HG2 VAL 25 -2.683 8.306 -1.416 189 H LEU 26 H LEU 26 -3.626 4.405 -4.290 190 HA LEU 26 HA LEU 26 -6.084 4.931 -5.675 191 1HB LEU 26 1HB LEU 26 -4.150 2.595 -5.820 192 2HB LEU 26 2HB LEU 26 -5.510 2.802 -6.922 193 HG LEU 26 HG LEU 26 -3.269 4.814 -6.532 194 1HD1 LEU 26 1HD1 LEU 26 -2.624 2.629 -7.628 195 2HD1 LEU 26 2HD1 LEU 26 -3.798 2.991 -8.893 196 3HD1 LEU 26 3HD1 LEU 26 -2.408 4.050 -8.651 197 1HD2 LEU 26 1HD2 LEU 26 -5.796 4.768 -8.169 198 2HD2 LEU 26 2HD2 LEU 26 -5.028 6.119 -7.335 199 3HD2 LEU 26 3HD2 LEU 26 -4.368 5.540 -8.860 200 H ALA 27 H ALA 27 -5.125 2.440 -3.348 201 HA ALA 27 HA ALA 27 -7.556 0.921 -3.542 202 1HB ALA 27 1HB ALA 27 -5.524 -0.012 -2.543 203 2HB ALA 27 2HB ALA 27 -5.575 1.199 -1.263 204 3HB ALA 27 3HB ALA 27 -6.829 -0.030 -1.361 205 H ASN 28 H ASN 28 -6.552 3.610 -1.440 206 HA ASN 28 HA ASN 28 -8.798 3.595 0.303 207 1HB ASN 28 1HB ASN 28 -6.758 4.928 0.707 208 2HB ASN 28 2HB ASN 28 -7.169 5.964 -0.660 209 2HD2 ASN 28 2HD2 ASN 28 -7.071 6.394 2.440 210 1HD2 ASN 28 1HD2 ASN 28 -8.548 7.164 2.765 211 H ARG 29 H ARG 29 -8.343 5.175 -2.853 212 HA ARG 29 HA ARG 29 -10.809 6.631 -2.836 213 1HB ARG 29 1HB ARG 29 -9.218 5.561 -5.182 214 2HB ARG 29 2HB ARG 29 -10.501 6.758 -5.298 215 1HG ARG 29 1HG ARG 29 -8.014 7.134 -3.607 216 2HG ARG 29 2HG ARG 29 -8.153 7.715 -5.262 217 1HD ARG 29 1HD ARG 29 -9.702 8.613 -2.827 218 2HD ARG 29 2HD ARG 29 -8.718 9.577 -3.920 219 HE ARG 29 HE ARG 29 -10.698 8.621 -5.574 220 1HH1 ARG 29 1HH1 ARG 29 -12.671 9.680 -5.887 221 2HH1 ARG 29 2HH1 ARG 29 -13.275 10.738 -4.656 222 1HH2 ARG 29 1HH2 ARG 29 -10.588 10.232 -2.526 223 2HH2 ARG 29 2HH2 ARG 29 -12.097 11.051 -2.754 224 H GLU 30 H GLU 30 -10.039 3.321 -3.833 225 HA GLU 30 HA GLU 30 -12.468 2.767 -5.203 226 1HB GLU 30 1HB GLU 30 -10.639 0.971 -3.589 227 2HB GLU 30 2HB GLU 30 -11.997 0.368 -4.540 228 1HG GLU 30 1HG GLU 30 -11.034 1.385 -6.570 229 2HG GLU 30 2HG GLU 30 -9.673 1.987 -5.624 230 H LEU 31 H LEU 31 -11.690 2.577 -1.728 231 HA LEU 31 HA LEU 31 -14.141 1.377 -0.879 232 1HB LEU 31 1HB LEU 31 -12.751 3.532 0.731 233 2HB LEU 31 2HB LEU 31 -13.577 2.083 1.307 234 HG LEU 31 HG LEU 31 -10.941 2.221 -0.166 235 1HD1 LEU 31 1HD1 LEU 31 -11.768 1.467 2.649 236 2HD1 LEU 31 2HD1 LEU 31 -10.194 1.053 1.976 237 3HD1 LEU 31 3HD1 LEU 31 -10.656 2.744 2.153 238 1HD2 LEU 31 1HD2 LEU 31 -12.719 -0.115 0.581 239 2HD2 LEU 31 2HD2 LEU 31 -12.000 0.249 -0.987 240 3HD2 LEU 31 3HD2 LEU 31 -10.985 -0.316 0.339 241 H ASP 32 H ASP 32 -13.172 4.764 -1.121 242 HA ASP 32 HA ASP 32 -15.667 5.946 -0.452 243 1HB ASP 32 1HB ASP 32 -13.275 6.823 -2.065 244 2HB ASP 32 2HB ASP 32 -14.681 7.880 -1.882 245 H LYS 33 H LYS 33 -14.319 4.861 -3.538 246 HA LYS 33 HA LYS 33 -16.348 5.867 -5.253 247 1HB LYS 33 1HB LYS 33 -14.200 4.920 -6.039 248 2HB LYS 33 2HB LYS 33 -14.712 3.324 -5.497 249 1HG LYS 33 1HG LYS 33 -16.606 3.387 -7.076 250 2HG LYS 33 2HG LYS 33 -16.096 4.988 -7.619 251 1HD LYS 33 1HD LYS 33 -13.929 4.055 -8.342 252 2HD LYS 33 2HD LYS 33 -14.437 2.455 -7.801 253 1HE LYS 33 1HE LYS 33 -16.159 2.339 -9.442 254 2HE LYS 33 2HE LYS 33 -16.007 4.053 -9.826 255 1HZ LYS 33 1HZ LYS 33 -13.498 2.945 -10.173 256 2HZ LYS 33 2HZ LYS 33 -14.584 1.860 -10.900 257 3HZ LYS 33 3HZ LYS 33 -14.556 3.489 -11.382 258 H TYR 34 H TYR 34 -16.080 2.655 -3.673 259 HA TYR 34 HA TYR 34 -18.669 1.781 -4.616 260 1HB TYR 34 1HB TYR 34 -16.888 0.796 -2.376 261 2HB TYR 34 2HB TYR 34 -18.404 0.014 -2.821 262 HD1 TYR 34 HD1 TYR 34 -18.674 -0.400 -5.459 263 HD2 TYR 34 HD2 TYR 34 -14.932 -0.008 -3.384 264 HE1 TYR 34 HE1 TYR 34 -17.528 -1.607 -7.296 265 HE2 TYR 34 HE2 TYR 34 -13.788 -1.212 -5.224 266 HH TYR 34 HH TYR 34 -14.819 -1.543 -8.127 267 H GLY 35 H GLY 35 -17.519 3.290 -1.615 268 1HA GLY 35 1HA GLY 35 -20.377 3.852 -0.888 269 2HA GLY 35 2HA GLY 35 -19.014 4.883 -0.459 270 H VAL 36 H VAL 36 -17.359 2.463 0.203 271 HA VAL 36 HA VAL 36 -18.704 1.091 2.381 272 HB VAL 36 HB VAL 36 -15.702 1.315 2.137 273 1HG1 VAL 36 1HG1 VAL 36 -16.701 0.016 4.001 274 2HG1 VAL 36 2HG1 VAL 36 -17.573 -0.973 2.831 275 3HG1 VAL 36 3HG1 VAL 36 -15.811 -1.022 2.889 276 1HG2 VAL 36 1HG2 VAL 36 -17.614 -0.166 0.322 277 2HG2 VAL 36 2HG2 VAL 36 -16.315 0.937 -0.129 278 3HG2 VAL 36 3HG2 VAL 36 -15.931 -0.658 0.516 279 H SER 37 H SER 37 -17.809 1.249 4.679 280 HA SER 37 HA SER 37 -18.109 3.897 5.676 281 1HB SER 37 1HB SER 37 -17.465 2.990 7.821 282 2HB SER 37 2HB SER 37 -18.416 1.763 6.992 283 HG SER 37 HG SER 37 -16.471 0.934 7.910 284 H ASP 38 H ASP 38 -16.443 5.202 6.793 285 HA ASP 38 HA ASP 38 -13.954 5.289 5.202 286 1HB ASP 38 1HB ASP 38 -13.590 7.448 6.331 287 2HB ASP 38 2HB ASP 38 -15.211 7.374 5.640 288 H TYR 39 H TYR 39 -14.702 3.369 7.610 289 HA TYR 39 HA TYR 39 -12.534 3.968 9.501 290 1HB TYR 39 1HB TYR 39 -14.527 2.939 10.400 291 2HB TYR 39 2HB TYR 39 -14.449 1.633 9.218 292 HD1 TYR 39 HD1 TYR 39 -12.990 3.009 12.311 293 HD2 TYR 39 HD2 TYR 39 -12.793 -0.144 9.402 294 HE1 TYR 39 HE1 TYR 39 -11.530 1.698 13.829 295 HE2 TYR 39 HE2 TYR 39 -11.338 -1.453 10.915 296 HH TYR 39 HH TYR 39 -9.914 -1.196 12.774 297 H TYR 40 H TYR 40 -13.208 1.493 7.028 298 HA TYR 40 HA TYR 40 -10.835 -0.030 7.368 299 1HB TYR 40 1HB TYR 40 -12.440 0.433 4.838 300 2HB TYR 40 2HB TYR 40 -11.275 -0.867 5.090 301 HD1 TYR 40 HD1 TYR 40 -14.691 -0.098 5.194 302 HD2 TYR 40 HD2 TYR 40 -11.670 -2.206 7.410 303 HE1 TYR 40 HE1 TYR 40 -16.442 -1.481 6.270 304 HE2 TYR 40 HE2 TYR 40 -13.426 -3.586 8.486 305 HH TYR 40 HH TYR 40 -15.638 -3.811 8.819 306 H LYS 41 H LYS 41 -11.371 2.946 5.502 307 HA LYS 41 HA LYS 41 -8.997 2.807 3.945 308 1HB LYS 41 1HB LYS 41 -9.336 5.100 3.472 309 2HB LYS 41 2HB LYS 41 -10.961 4.501 3.791 310 1HG LYS 41 1HG LYS 41 -10.557 5.232 6.229 311 2HG LYS 41 2HG LYS 41 -9.182 6.134 5.607 312 1HD LYS 41 1HD LYS 41 -12.008 6.438 4.550 313 2HD LYS 41 2HD LYS 41 -11.298 7.489 5.772 314 1HE LYS 41 1HE LYS 41 -9.414 7.948 4.136 315 2HE LYS 41 2HE LYS 41 -10.375 7.112 2.916 316 1HZ LYS 41 1HZ LYS 41 -11.961 8.997 4.306 317 2HZ LYS 41 2HZ LYS 41 -10.577 9.756 3.675 318 3HZ LYS 41 3HZ LYS 41 -11.624 8.901 2.646 319 H ASN 42 H ASN 42 -9.624 3.994 7.212 320 HA ASN 42 HA ASN 42 -7.018 5.024 7.687 321 1HB ASN 42 1HB ASN 42 -8.933 5.523 9.167 322 2HB ASN 42 2HB ASN 42 -8.985 3.832 9.663 323 2HD2 ASN 42 2HD2 ASN 42 -8.581 4.791 11.911 324 1HD2 ASN 42 1HD2 ASN 42 -6.977 5.125 12.358 325 H LEU 43 H LEU 43 -8.426 1.807 8.105 326 HA LEU 43 HA LEU 43 -6.224 0.589 9.419 327 1HB LEU 43 1HB LEU 43 -8.436 -0.484 9.212 328 2HB LEU 43 2HB LEU 43 -8.205 -0.640 7.473 329 HG LEU 43 HG LEU 43 -6.246 -2.091 7.859 330 1HD1 LEU 43 1HD1 LEU 43 -6.841 -1.397 10.731 331 2HD1 LEU 43 2HD1 LEU 43 -6.115 -2.959 10.354 332 3HD1 LEU 43 3HD1 LEU 43 -5.286 -1.473 9.902 333 1HD2 LEU 43 1HD2 LEU 43 -8.660 -2.956 7.776 334 2HD2 LEU 43 2HD2 LEU 43 -7.473 -4.034 8.509 335 3HD2 LEU 43 3HD2 LEU 43 -8.559 -3.094 9.532 336 H ILE 44 H ILE 44 -6.921 0.980 5.940 337 HA ILE 44 HA ILE 44 -4.656 -0.463 4.976 338 HB ILE 44 HB ILE 44 -6.219 1.846 3.794 339 1HG1 ILE 44 1HG1 ILE 44 -6.131 -1.090 3.055 340 2HG1 ILE 44 2HG1 ILE 44 -7.312 -0.415 4.176 341 1HG2 ILE 44 1HG2 ILE 44 -3.960 0.195 2.631 342 2HG2 ILE 44 2HG2 ILE 44 -5.128 1.046 1.617 343 3HG2 ILE 44 3HG2 ILE 44 -4.085 1.952 2.714 344 1HD1 ILE 44 1HD1 ILE 44 -7.890 1.239 2.288 345 2HD1 ILE 44 2HD1 ILE 44 -6.973 0.164 1.231 346 3HD1 ILE 44 3HD1 ILE 44 -8.404 -0.436 2.070 347 H ASN 45 H ASN 45 -5.035 2.934 5.943 348 HA ASN 45 HA ASN 45 -2.391 3.741 5.151 349 1HB ASN 45 1HB ASN 45 -4.330 4.844 7.203 350 2HB ASN 45 2HB ASN 45 -2.803 5.628 6.792 351 2HD2 ASN 45 2HD2 ASN 45 -2.605 5.514 4.089 352 1HD2 ASN 45 1HD2 ASN 45 -3.955 6.203 3.326 353 H ASN 46 H ASN 46 -3.619 1.910 7.809 354 HA ASN 46 HA ASN 46 -1.106 2.264 9.377 355 1HB ASN 46 1HB ASN 46 -3.374 2.397 10.496 356 2HB ASN 46 2HB ASN 46 -3.580 0.685 10.126 357 2HD2 ASN 46 2HD2 ASN 46 -3.630 0.652 12.657 358 1HD2 ASN 46 1HD2 ASN 46 -2.135 0.467 13.439 359 H ALA 47 H ALA 47 -1.952 0.448 6.833 360 HA ALA 47 HA ALA 47 -1.484 -2.251 7.635 361 1HB ALA 47 1HB ALA 47 -2.367 -1.438 5.387 362 2HB ALA 47 2HB ALA 47 -1.162 -2.724 5.307 363 3HB ALA 47 3HB ALA 47 -0.698 -1.057 4.969 364 H LYS 48 H LYS 48 0.402 -3.378 8.010 365 HA LYS 48 HA LYS 48 2.906 -1.799 8.138 366 1HB LYS 48 1HB LYS 48 3.675 -4.178 9.130 367 2HB LYS 48 2HB LYS 48 2.813 -2.999 10.112 368 1HG LYS 48 1HG LYS 48 1.821 -5.239 10.345 369 2HG LYS 48 2HG LYS 48 0.676 -4.122 9.609 370 1HD LYS 48 1HD LYS 48 1.136 -5.016 7.404 371 2HD LYS 48 2HD LYS 48 2.449 -6.010 8.033 372 1HE LYS 48 1HE LYS 48 -0.446 -6.261 8.898 373 2HE LYS 48 2HE LYS 48 0.318 -7.287 7.684 374 1HZ LYS 48 1HZ LYS 48 2.015 -7.829 9.417 375 2HZ LYS 48 2HZ LYS 48 1.024 -7.044 10.552 376 3HZ LYS 48 3HZ LYS 48 0.455 -8.418 9.739 377 H THR 49 H THR 49 1.382 -3.622 5.823 378 HA THR 49 HA THR 49 3.861 -3.863 4.297 379 HB THR 49 HB THR 49 2.326 -6.427 4.740 380 HG1 THR 49 HG1 THR 49 4.729 -5.746 6.047 381 1HG2 THR 49 1HG2 THR 49 3.890 -6.084 2.768 382 2HG2 THR 49 2HG2 THR 49 5.202 -5.946 3.939 383 3HG2 THR 49 3HG2 THR 49 4.287 -7.449 3.812 384 H VAL 50 H VAL 50 3.449 -4.166 2.053 385 HA VAL 50 HA VAL 50 0.857 -3.254 1.151 386 HB VAL 50 HB VAL 50 2.831 -2.676 -0.102 387 1HG1 VAL 50 1HG1 VAL 50 3.177 -5.665 -0.452 388 2HG1 VAL 50 2HG1 VAL 50 4.127 -4.445 -1.297 389 3HG1 VAL 50 3HG1 VAL 50 4.236 -4.587 0.458 390 1HG2 VAL 50 1HG2 VAL 50 0.670 -3.102 -1.336 391 2HG2 VAL 50 2HG2 VAL 50 2.118 -3.262 -2.328 392 3HG2 VAL 50 3HG2 VAL 50 1.291 -4.704 -1.740 393 H GLU 51 H GLU 51 2.306 -6.386 1.645 394 HA GLU 51 HA GLU 51 0.661 -7.942 -0.086 395 1HB GLU 51 1HB GLU 51 1.919 -8.600 2.598 396 2HB GLU 51 2HB GLU 51 1.104 -9.795 1.587 397 1HG GLU 51 1HG GLU 51 2.667 -9.330 -0.253 398 2HG GLU 51 2HG GLU 51 3.476 -8.109 0.731 399 H GLY 52 H GLY 52 0.169 -6.728 3.199 400 1HA GLY 52 1HA GLY 52 -1.756 -6.759 4.557 401 2HA GLY 52 2HA GLY 52 -2.424 -8.008 3.503 402 H VAL 53 H VAL 53 -1.256 -4.976 2.152 403 HA VAL 53 HA VAL 53 -3.703 -3.504 2.291 404 HB VAL 53 HB VAL 53 -1.379 -3.373 0.356 405 1HG1 VAL 53 1HG1 VAL 53 -3.878 -1.684 0.562 406 2HG1 VAL 53 2HG1 VAL 53 -2.380 -1.040 -0.114 407 3HG1 VAL 53 3HG1 VAL 53 -3.171 -2.419 -0.877 408 1HG2 VAL 53 1HG2 VAL 53 -0.919 -2.772 2.712 409 2HG2 VAL 53 2HG2 VAL 53 -0.830 -1.353 1.669 410 3HG2 VAL 53 3HG2 VAL 53 -2.253 -1.619 2.676 411 H LYS 54 H LYS 54 -2.412 -5.549 -0.373 412 HA LYS 54 HA LYS 54 -4.773 -5.200 -1.998 413 1HB LYS 54 1HB LYS 54 -3.846 -6.914 -3.423 414 2HB LYS 54 2HB LYS 54 -2.513 -5.904 -2.861 415 1HG LYS 54 1HG LYS 54 -2.149 -7.587 -1.008 416 2HG LYS 54 2HG LYS 54 -3.309 -8.635 -1.822 417 1HD LYS 54 1HD LYS 54 -1.885 -8.428 -3.905 418 2HD LYS 54 2HD LYS 54 -0.669 -7.630 -2.906 419 1HE LYS 54 1HE LYS 54 -0.486 -9.589 -1.476 420 2HE LYS 54 2HE LYS 54 -1.805 -10.383 -2.336 421 1HZ LYS 54 1HZ LYS 54 0.574 -9.457 -3.803 422 2HZ LYS 54 2HZ LYS 54 0.618 -10.932 -2.966 423 3HZ LYS 54 3HZ LYS 54 -0.520 -10.694 -4.205 424 H ALA 55 H ALA 55 -3.841 -7.540 0.463 425 HA ALA 55 HA ALA 55 -5.964 -9.417 -0.077 426 1HB ALA 55 1HB ALA 55 -4.709 -9.007 2.635 427 2HB ALA 55 2HB ALA 55 -5.293 -10.504 1.907 428 3HB ALA 55 3HB ALA 55 -3.807 -9.757 1.319 429 H LEU 56 H LEU 56 -5.722 -6.502 1.849 430 HA LEU 56 HA LEU 56 -8.158 -6.912 3.312 431 1HB LEU 56 1HB LEU 56 -6.422 -5.379 4.097 432 2HB LEU 56 2HB LEU 56 -6.663 -4.356 2.685 433 HG LEU 56 HG LEU 56 -8.925 -3.809 3.400 434 1HD1 LEU 56 1HD1 LEU 56 -8.408 -5.963 5.446 435 2HD1 LEU 56 2HD1 LEU 56 -9.556 -4.672 5.802 436 3HD1 LEU 56 3HD1 LEU 56 -9.819 -5.725 4.416 437 1HD2 LEU 56 1HD2 LEU 56 -6.768 -2.752 4.505 438 2HD2 LEU 56 2HD2 LEU 56 -8.356 -2.382 5.169 439 3HD2 LEU 56 3HD2 LEU 56 -7.329 -3.584 5.950 440 H ILE 57 H ILE 57 -7.374 -5.281 0.264 441 HA ILE 57 HA ILE 57 -10.099 -4.331 -0.133 442 HB ILE 57 HB ILE 57 -7.916 -4.808 -2.182 443 1HG1 ILE 57 1HG1 ILE 57 -7.070 -3.251 -0.526 444 2HG1 ILE 57 2HG1 ILE 57 -7.546 -2.314 -1.940 445 1HG2 ILE 57 1HG2 ILE 57 -10.511 -3.268 -2.218 446 2HG2 ILE 57 2HG2 ILE 57 -9.222 -2.975 -3.387 447 3HG2 ILE 57 3HG2 ILE 57 -9.992 -4.559 -3.301 448 1HD1 ILE 57 1HD1 ILE 57 -9.847 -2.086 -0.701 449 2HD1 ILE 57 2HD1 ILE 57 -8.918 -2.531 0.732 450 3HD1 ILE 57 3HD1 ILE 57 -8.497 -1.086 -0.180 451 H ASP 58 H ASP 58 -8.202 -7.152 -1.098 452 HA ASP 58 HA ASP 58 -10.204 -8.264 -2.848 453 1HB ASP 58 1HB ASP 58 -7.895 -9.519 -1.351 454 2HB ASP 58 2HB ASP 58 -8.910 -10.409 -2.484 455 H GLU 59 H GLU 59 -9.519 -8.726 0.624 456 HA GLU 59 HA GLU 59 -11.506 -10.799 0.928 457 1HB GLU 59 1HB GLU 59 -11.074 -10.680 3.260 458 2HB GLU 59 2HB GLU 59 -9.533 -10.268 2.513 459 1HG GLU 59 1HG GLU 59 -10.172 -7.860 2.736 460 2HG GLU 59 2HG GLU 59 -11.552 -8.356 3.703 461 H ILE 60 H ILE 60 -11.500 -7.288 1.280 462 HA ILE 60 HA ILE 60 -14.182 -7.125 2.309 463 HB ILE 60 HB ILE 60 -12.423 -5.103 0.898 464 1HG1 ILE 60 1HG1 ILE 60 -13.277 -5.246 3.798 465 2HG1 ILE 60 2HG1 ILE 60 -11.802 -6.005 3.205 466 1HG2 ILE 60 1HG2 ILE 60 -15.170 -4.829 2.136 467 2HG2 ILE 60 2HG2 ILE 60 -14.089 -3.451 1.928 468 3HG2 ILE 60 3HG2 ILE 60 -14.656 -4.348 0.520 469 1HD1 ILE 60 1HD1 ILE 60 -11.066 -3.789 2.316 470 2HD1 ILE 60 2HD1 ILE 60 -12.503 -3.059 3.033 471 3HD1 ILE 60 3HD1 ILE 60 -11.271 -3.782 4.068 472 H LEU 61 H LEU 61 -12.782 -6.953 -0.949 473 HA LEU 61 HA LEU 61 -15.396 -6.500 -2.187 474 1HB LEU 61 1HB LEU 61 -12.665 -7.151 -3.348 475 2HB LEU 61 2HB LEU 61 -14.100 -6.850 -4.330 476 HG LEU 61 HG LEU 61 -12.854 -4.901 -2.362 477 1HD1 LEU 61 1HD1 LEU 61 -11.686 -5.435 -4.625 478 2HD1 LEU 61 2HD1 LEU 61 -13.042 -4.580 -5.359 479 3HD1 LEU 61 3HD1 LEU 61 -11.982 -3.744 -4.225 480 1HD2 LEU 61 1HD2 LEU 61 -15.394 -4.861 -3.977 481 2HD2 LEU 61 2HD2 LEU 61 -15.084 -4.222 -2.363 482 3HD2 LEU 61 3HD2 LEU 61 -14.510 -3.348 -3.777 483 H ALA 62 H ALA 62 -13.762 -9.202 -0.970 484 HA ALA 62 HA ALA 62 -14.487 -11.223 -2.839 485 1HB ALA 62 1HB ALA 62 -14.257 -11.395 0.182 486 2HB ALA 62 2HB ALA 62 -14.317 -12.779 -0.909 487 3HB ALA 62 3HB ALA 62 -12.953 -11.663 -0.974 488 H ALA 63 H ALA 63 -16.271 -9.915 -0.034 489 HA ALA 63 HA ALA 63 -18.561 -11.630 -0.400 490 1HB ALA 63 1HB ALA 63 -17.959 -10.346 1.711 491 2HB ALA 63 2HB ALA 63 -19.649 -10.235 1.224 492 3HB ALA 63 3HB ALA 63 -18.548 -8.896 0.901 493 H LEU 64 H LEU 64 -17.762 -8.349 -1.513 494 HA LEU 64 HA LEU 64 -20.337 -7.916 -2.745 495 1HB LEU 64 1HB LEU 64 -17.637 -6.585 -3.061 496 2HB LEU 64 2HB LEU 64 -19.058 -6.039 -3.945 497 HG LEU 64 HG LEU 64 -19.247 -6.368 -0.952 498 1HD1 LEU 64 1HD1 LEU 64 -18.020 -3.994 -2.389 499 2HD1 LEU 64 2HD1 LEU 64 -18.510 -4.001 -0.694 500 3HD1 LEU 64 3HD1 LEU 64 -17.207 -5.057 -1.240 501 1HD2 LEU 64 1HD2 LEU 64 -21.207 -5.791 -2.516 502 2HD2 LEU 64 2HD2 LEU 64 -20.955 -4.707 -1.149 503 3HD2 LEU 64 3HD2 LEU 64 -20.415 -4.236 -2.759 504 HA PRO 65 HA PRO 65 -19.759 -10.308 -6.461 505 1HB PRO 65 1HB PRO 65 -20.866 -8.439 -8.308 506 2HB PRO 65 2HB PRO 65 -21.725 -9.734 -7.467 507 1HG PRO 65 1HG PRO 65 -21.747 -6.831 -6.930 508 2HG PRO 65 2HG PRO 65 -22.917 -8.067 -6.448 509 1HD PRO 65 1HD PRO 65 -21.091 -6.820 -4.722 510 2HD PRO 65 2HD PRO 65 -21.918 -8.362 -4.391 No H/Q in entry = 510 Start of MODEL 4 1 H1 MET 1 H1 MET 1 31.328 4.042 -9.020 2 H2 MET 1 H2 MET 1 30.369 4.864 -7.882 3 H3 MET 1 H3 MET 1 32.046 5.119 -7.919 4 HA MET 1 HA MET 1 32.538 3.106 -6.952 5 1HB MET 1 1HB MET 1 29.803 3.859 -5.869 6 2HB MET 1 2HB MET 1 30.999 2.868 -5.035 7 1HG MET 1 1HG MET 1 31.535 5.700 -5.963 8 2HG MET 1 2HG MET 1 30.986 5.297 -4.336 9 1HE MET 1 1HE MET 1 33.422 6.948 -4.691 10 2HE MET 1 2HE MET 1 34.998 6.178 -4.852 11 3HE MET 1 3HE MET 1 33.924 6.269 -6.245 12 H LYS 2 H LYS 2 32.528 1.191 -8.096 13 HA LYS 2 HA LYS 2 30.281 0.100 -9.458 14 1HB LYS 2 1HB LYS 2 32.602 -0.612 -9.908 15 2HB LYS 2 2HB LYS 2 32.682 -1.352 -8.309 16 1HG LYS 2 1HG LYS 2 30.982 -2.955 -8.872 17 2HG LYS 2 2HG LYS 2 30.604 -2.112 -10.374 18 1HD LYS 2 1HD LYS 2 31.977 -4.054 -10.893 19 2HD LYS 2 2HD LYS 2 32.924 -2.594 -11.178 20 1HE LYS 2 1HE LYS 2 34.190 -2.890 -9.200 21 2HE LYS 2 2HE LYS 2 33.032 -4.039 -8.528 22 1HZ LYS 2 1HZ LYS 2 33.618 -5.464 -10.532 23 2HZ LYS 2 2HZ LYS 2 34.961 -4.443 -10.730 24 3HZ LYS 2 3HZ LYS 2 34.784 -5.341 -9.302 25 H ALA 3 H ALA 3 31.498 -0.457 -6.161 26 HA ALA 3 HA ALA 3 28.824 -1.283 -5.311 27 1HB ALA 3 1HB ALA 3 29.639 -3.405 -6.223 28 2HB ALA 3 2HB ALA 3 29.576 -3.503 -4.462 29 3HB ALA 3 3HB ALA 3 31.121 -3.265 -5.278 30 H ILE 4 H ILE 4 28.736 -1.511 -2.935 31 HA ILE 4 HA ILE 4 31.167 -0.760 -1.437 32 HB ILE 4 HB ILE 4 30.299 1.418 -2.071 33 1HG1 ILE 4 1HG1 ILE 4 29.403 0.922 0.770 34 2HG1 ILE 4 2HG1 ILE 4 31.104 0.934 0.318 35 1HG2 ILE 4 1HG2 ILE 4 27.681 0.332 -1.007 36 2HG2 ILE 4 2HG2 ILE 4 27.973 2.054 -1.241 37 3HG2 ILE 4 3HG2 ILE 4 28.022 0.957 -2.619 38 1HD1 ILE 4 1HD1 ILE 4 30.663 3.240 -0.709 39 2HD1 ILE 4 2HD1 ILE 4 29.110 3.201 0.128 40 3HD1 ILE 4 3HD1 ILE 4 30.611 3.153 1.049 41 H PHE 5 H PHE 5 30.992 -1.273 0.802 42 HA PHE 5 HA PHE 5 29.305 -3.474 1.436 43 1HB PHE 5 1HB PHE 5 30.935 -1.570 3.122 44 2HB PHE 5 2HB PHE 5 29.988 -2.863 3.859 45 HD1 PHE 5 HD1 PHE 5 30.540 -5.214 3.471 46 HD2 PHE 5 HD2 PHE 5 32.880 -2.063 1.726 47 HE1 PHE 5 HE1 PHE 5 32.329 -6.843 2.933 48 HE2 PHE 5 HE2 PHE 5 34.671 -3.693 1.187 49 HZ PHE 5 HZ PHE 5 34.396 -6.083 1.791 50 H VAL 6 H VAL 6 28.960 -0.012 2.146 51 HA VAL 6 HA VAL 6 26.262 -0.536 3.318 52 HB VAL 6 HB VAL 6 26.479 1.953 3.944 53 1HG1 VAL 6 1HG1 VAL 6 28.446 -0.074 5.056 54 2HG1 VAL 6 2HG1 VAL 6 27.955 1.412 5.871 55 3HG1 VAL 6 3HG1 VAL 6 26.773 0.139 5.571 56 1HG2 VAL 6 1HG2 VAL 6 28.325 2.443 2.338 57 2HG2 VAL 6 2HG2 VAL 6 28.766 2.839 3.998 58 3HG2 VAL 6 3HG2 VAL 6 29.377 1.364 3.252 59 H LEU 7 H LEU 7 24.501 -0.112 2.098 60 HA LEU 7 HA LEU 7 24.841 1.462 -0.432 61 1HB LEU 7 1HB LEU 7 24.018 -0.963 -0.471 62 2HB LEU 7 2HB LEU 7 22.557 -0.388 0.316 63 HG LEU 7 HG LEU 7 23.545 0.877 -2.252 64 1HD1 LEU 7 1HD1 LEU 7 21.864 -1.617 -1.921 65 2HD1 LEU 7 2HD1 LEU 7 21.890 -0.665 -3.405 66 3HD1 LEU 7 3HD1 LEU 7 23.365 -1.442 -2.829 67 1HD2 LEU 7 1HD2 LEU 7 20.929 0.787 -0.733 68 2HD2 LEU 7 2HD2 LEU 7 21.809 2.184 -1.341 69 3HD2 LEU 7 3HD2 LEU 7 20.948 1.136 -2.459 70 H ASN 8 H ASN 8 24.138 3.537 -0.218 71 HA ASN 8 HA ASN 8 21.814 4.098 1.607 72 1HB ASN 8 1HB ASN 8 22.714 6.353 1.844 73 2HB ASN 8 2HB ASN 8 23.962 5.180 2.263 74 2HD2 ASN 8 2HD2 ASN 8 25.932 5.421 1.189 75 1HD2 ASN 8 1HD2 ASN 8 26.157 6.322 -0.232 76 H ALA 9 H ALA 9 22.741 3.874 -1.604 77 HA ALA 9 HA ALA 9 20.552 5.739 -2.481 78 1HB ALA 9 1HB ALA 9 23.162 4.998 -3.830 79 2HB ALA 9 2HB ALA 9 22.654 6.598 -3.291 80 3HB ALA 9 3HB ALA 9 21.844 5.829 -4.657 81 H GLN 10 H GLN 10 18.835 4.446 -2.930 82 HA GLN 10 HA GLN 10 19.315 1.836 -4.340 83 1HB GLN 10 1HB GLN 10 18.200 1.653 -2.135 84 2HB GLN 10 2HB GLN 10 16.940 2.754 -2.685 85 1HG GLN 10 1HG GLN 10 16.321 1.161 -4.472 86 2HG GLN 10 2HG GLN 10 17.584 0.059 -3.921 87 2HE2 GLN 10 2HE2 GLN 10 16.416 -1.646 -2.974 88 1HE2 GLN 10 1HE2 GLN 10 15.240 -1.444 -1.767 89 H HIS 11 H HIS 11 18.634 1.740 -6.428 90 HA HIS 11 HA HIS 11 16.399 3.506 -7.321 91 1HB HIS 11 1HB HIS 11 18.645 4.569 -7.853 92 2HB HIS 11 2HB HIS 11 18.965 3.187 -8.902 93 HD1 HIS 11 HD1 HIS 11 17.597 2.998 -11.091 94 HD2 HIS 11 HD2 HIS 11 16.613 6.343 -8.806 95 HE1 HIS 11 HE1 HIS 11 16.158 4.473 -12.564 96 H ASP 12 H ASP 12 17.334 0.473 -6.925 97 HA ASP 12 HA ASP 12 17.132 -0.781 -9.474 98 1HB ASP 12 1HB ASP 12 16.571 -2.821 -8.224 99 2HB ASP 12 2HB ASP 12 17.882 -1.955 -7.424 100 H GLU 13 H GLU 13 14.618 0.166 -7.141 101 HA GLU 13 HA GLU 13 12.642 0.385 -9.246 102 1HB GLU 13 1HB GLU 13 12.758 -2.110 -8.920 103 2HB GLU 13 2HB GLU 13 12.257 -1.866 -7.247 104 1HG GLU 13 1HG GLU 13 10.293 -2.404 -8.568 105 2HG GLU 13 2HG GLU 13 10.197 -0.709 -8.090 106 H ALA 14 H ALA 14 13.004 -0.236 -5.742 107 HA ALA 14 HA ALA 14 10.787 1.593 -5.128 108 1HB ALA 14 1HB ALA 14 11.349 1.062 -2.768 109 2HB ALA 14 2HB ALA 14 11.119 -0.397 -3.732 110 3HB ALA 14 3HB ALA 14 12.748 0.143 -3.323 111 H VAL 15 H VAL 15 11.851 3.473 -6.187 112 HA VAL 15 HA VAL 15 14.317 4.573 -5.241 113 HB VAL 15 HB VAL 15 11.884 5.849 -6.526 114 1HG1 VAL 15 1HG1 VAL 15 14.573 7.013 -5.785 115 2HG1 VAL 15 2HG1 VAL 15 13.552 7.717 -7.039 116 3HG1 VAL 15 3HG1 VAL 15 12.972 7.628 -5.376 117 1HG2 VAL 15 1HG2 VAL 15 13.160 4.200 -7.888 118 2HG2 VAL 15 2HG2 VAL 15 13.284 5.834 -8.539 119 3HG2 VAL 15 3HG2 VAL 15 14.627 5.144 -7.624 120 H ASP 16 H ASP 16 10.925 5.166 -4.286 121 HA ASP 16 HA ASP 16 11.893 6.130 -1.633 122 1HB ASP 16 1HB ASP 16 9.964 7.591 -3.457 123 2HB ASP 16 2HB ASP 16 10.137 7.948 -1.740 124 H ALA 17 H ALA 17 10.091 6.111 -0.005 125 HA ALA 17 HA ALA 17 8.520 3.693 -0.240 126 1HB ALA 17 1HB ALA 17 7.937 5.839 1.801 127 2HB ALA 17 2HB ALA 17 9.424 4.899 1.909 128 3HB ALA 17 3HB ALA 17 7.862 4.086 1.980 129 H ASN 18 H ASN 18 8.108 6.635 -1.669 130 HA ASN 18 HA ASN 18 5.357 7.255 -1.286 131 1HB ASN 18 1HB ASN 18 6.931 8.756 -2.470 132 2HB ASN 18 2HB ASN 18 7.027 7.598 -3.797 133 2HD2 ASN 18 2HD2 ASN 18 5.765 8.350 -5.509 134 1HD2 ASN 18 1HD2 ASN 18 4.235 9.068 -5.349 135 H SER 19 H SER 19 6.935 5.001 -3.559 136 HA SER 19 HA SER 19 4.608 4.339 -5.055 137 1HB SER 19 1HB SER 19 6.876 3.642 -5.739 138 2HB SER 19 2HB SER 19 6.958 2.552 -4.358 139 HG SER 19 HG SER 19 6.275 1.423 -6.186 140 H LEU 20 H LEU 20 5.948 2.820 -2.109 141 HA LEU 20 HA LEU 20 3.954 0.796 -1.855 142 1HB LEU 20 1HB LEU 20 6.159 1.121 -0.535 143 2HB LEU 20 2HB LEU 20 5.243 2.218 0.490 144 HG LEU 20 HG LEU 20 4.362 -0.632 -0.072 145 1HD1 LEU 20 1HD1 LEU 20 6.622 -0.513 1.047 146 2HD1 LEU 20 2HD1 LEU 20 5.851 0.362 2.371 147 3HD1 LEU 20 3HD1 LEU 20 5.373 -1.297 2.013 148 1HD2 LEU 20 1HD2 LEU 20 3.488 1.562 1.812 149 2HD2 LEU 20 2HD2 LEU 20 2.505 0.524 0.784 150 3HD2 LEU 20 3HD2 LEU 20 3.230 -0.126 2.248 151 H ALA 21 H ALA 21 4.143 4.067 -0.453 152 HA ALA 21 HA ALA 21 1.608 4.033 0.828 153 1HB ALA 21 1HB ALA 21 3.365 6.254 -0.212 154 2HB ALA 21 2HB ALA 21 3.094 5.769 1.461 155 3HB ALA 21 3HB ALA 21 1.817 6.590 0.563 156 H GLU 22 H GLU 22 2.562 4.683 -2.492 157 HA GLU 22 HA GLU 22 0.188 5.960 -3.395 158 1HB GLU 22 1HB GLU 22 2.332 5.712 -4.702 159 2HB GLU 22 2HB GLU 22 1.901 4.025 -4.978 160 1HG GLU 22 1HG GLU 22 1.184 5.301 -6.900 161 2HG GLU 22 2HG GLU 22 -0.251 4.807 -6.002 162 H ALA 23 H ALA 23 0.997 2.505 -3.060 163 HA ALA 23 HA ALA 23 -1.349 1.470 -4.301 164 1HB ALA 23 1HB ALA 23 -0.945 -0.552 -2.924 165 2HB ALA 23 2HB ALA 23 0.553 0.034 -3.645 166 3HB ALA 23 3HB ALA 23 0.209 0.351 -1.945 167 H LYS 24 H LYS 24 -0.706 2.515 -0.961 168 HA LYS 24 HA LYS 24 -3.300 1.824 0.072 169 1HB LYS 24 1HB LYS 24 -1.290 3.927 0.939 170 2HB LYS 24 2HB LYS 24 -2.732 3.504 1.860 171 1HG LYS 24 1HG LYS 24 -1.946 1.172 2.031 172 2HG LYS 24 2HG LYS 24 -0.499 1.592 1.111 173 1HD LYS 24 1HD LYS 24 0.133 3.228 2.850 174 2HD LYS 24 2HD LYS 24 -1.310 2.805 3.771 175 1HE LYS 24 1HE LYS 24 -0.521 0.564 4.127 176 2HE LYS 24 2HE LYS 24 0.811 0.790 2.994 177 1HZ LYS 24 1HZ LYS 24 1.704 2.500 4.466 178 2HZ LYS 24 2HZ LYS 24 0.440 2.231 5.565 179 3HZ LYS 24 3HZ LYS 24 1.576 1.005 5.263 180 H VAL 25 H VAL 25 -1.957 4.776 -1.390 181 HA VAL 25 HA VAL 25 -4.296 6.396 -1.030 182 HB VAL 25 HB VAL 25 -2.037 6.536 -3.042 183 1HG1 VAL 25 1HG1 VAL 25 -4.332 8.439 -2.519 184 2HG1 VAL 25 2HG1 VAL 25 -2.849 8.923 -3.340 185 3HG1 VAL 25 3HG1 VAL 25 -3.886 7.691 -4.053 186 1HG2 VAL 25 1HG2 VAL 25 -1.507 6.880 -0.612 187 2HG2 VAL 25 2HG2 VAL 25 -1.207 8.310 -1.599 188 3HG2 VAL 25 3HG2 VAL 25 -2.654 8.219 -0.596 189 H LEU 26 H LEU 26 -3.165 4.425 -3.795 190 HA LEU 26 HA LEU 26 -5.392 5.011 -5.491 191 1HB LEU 26 1HB LEU 26 -3.534 2.618 -5.362 192 2HB LEU 26 2HB LEU 26 -4.740 2.831 -6.630 193 HG LEU 26 HG LEU 26 -2.589 4.868 -5.980 194 1HD1 LEU 26 1HD1 LEU 26 -2.665 2.738 -8.138 195 2HD1 LEU 26 2HD1 LEU 26 -1.470 4.032 -8.038 196 3HD1 LEU 26 3HD1 LEU 26 -1.547 2.804 -6.775 197 1HD2 LEU 26 1HD2 LEU 26 -4.759 4.654 -8.060 198 2HD2 LEU 26 2HD2 LEU 26 -4.217 6.063 -7.152 199 3HD2 LEU 26 3HD2 LEU 26 -3.248 5.455 -8.488 200 H ALA 27 H ALA 27 -4.879 2.466 -3.066 201 HA ALA 27 HA ALA 27 -7.404 1.148 -3.602 202 1HB ALA 27 1HB ALA 27 -5.629 -0.100 -2.518 203 2HB ALA 27 2HB ALA 27 -5.556 1.071 -1.200 204 3HB ALA 27 3HB ALA 27 -6.975 0.040 -1.386 205 H ASN 28 H ASN 28 -6.366 3.765 -1.485 206 HA ASN 28 HA ASN 28 -8.607 3.842 0.259 207 1HB ASN 28 1HB ASN 28 -6.433 5.183 0.414 208 2HB ASN 28 2HB ASN 28 -7.151 6.289 -0.757 209 2HD2 ASN 28 2HD2 ASN 28 -6.685 6.019 2.482 210 1HD2 ASN 28 1HD2 ASN 28 -8.072 6.813 3.054 211 H ARG 29 H ARG 29 -8.111 5.473 -2.883 212 HA ARG 29 HA ARG 29 -10.691 6.766 -2.853 213 1HB ARG 29 1HB ARG 29 -8.749 6.143 -5.092 214 2HB ARG 29 2HB ARG 29 -10.237 7.061 -5.330 215 1HG ARG 29 1HG ARG 29 -9.500 8.704 -3.642 216 2HG ARG 29 2HG ARG 29 -8.010 7.791 -3.403 217 1HD ARG 29 1HD ARG 29 -7.405 8.154 -5.769 218 2HD ARG 29 2HD ARG 29 -8.896 9.066 -6.010 219 HE ARG 29 HE ARG 29 -7.651 10.361 -3.894 220 1HH1 ARG 29 1HH1 ARG 29 -6.226 12.088 -4.202 221 2HH1 ARG 29 2HH1 ARG 29 -5.380 12.237 -5.705 222 1HH2 ARG 29 1HH2 ARG 29 -6.796 9.394 -7.092 223 2HH2 ARG 29 2HH2 ARG 29 -5.702 10.713 -7.341 224 H GLU 30 H GLU 30 -9.559 3.617 -3.920 225 HA GLU 30 HA GLU 30 -11.737 2.903 -5.602 226 1HB GLU 30 1HB GLU 30 -9.654 1.581 -5.406 227 2HB GLU 30 2HB GLU 30 -10.105 1.123 -3.764 228 1HG GLU 30 1HG GLU 30 -12.141 0.020 -4.623 229 2HG GLU 30 2HG GLU 30 -11.697 0.483 -6.266 230 H LEU 31 H LEU 31 -11.385 2.656 -2.061 231 HA LEU 31 HA LEU 31 -13.806 1.218 -1.574 232 1HB LEU 31 1HB LEU 31 -12.823 3.404 0.274 233 2HB LEU 31 2HB LEU 31 -13.571 1.864 0.690 234 HG LEU 31 HG LEU 31 -10.801 2.320 -0.412 235 1HD1 LEU 31 1HD1 LEU 31 -11.118 2.675 2.021 236 2HD1 LEU 31 2HD1 LEU 31 -11.801 1.055 2.160 237 3HD1 LEU 31 3HD1 LEU 31 -10.111 1.263 1.701 238 1HD2 LEU 31 1HD2 LEU 31 -12.429 -0.213 -0.081 239 2HD2 LEU 31 2HD2 LEU 31 -11.545 0.334 -1.506 240 3HD2 LEU 31 3HD2 LEU 31 -10.665 -0.246 -0.091 241 H ASP 32 H ASP 32 -13.119 4.681 -1.656 242 HA ASP 32 HA ASP 32 -15.757 5.627 -1.215 243 1HB ASP 32 1HB ASP 32 -13.300 6.719 -2.574 244 2HB ASP 32 2HB ASP 32 -14.802 7.650 -2.576 245 H LYS 33 H LYS 33 -14.148 4.431 -4.103 246 HA LYS 33 HA LYS 33 -15.963 5.411 -6.061 247 1HB LYS 33 1HB LYS 33 -13.751 4.233 -6.470 248 2HB LYS 33 2HB LYS 33 -14.579 2.719 -6.117 249 1HG LYS 33 1HG LYS 33 -16.175 3.154 -7.939 250 2HG LYS 33 2HG LYS 33 -15.348 4.671 -8.301 251 1HD LYS 33 1HD LYS 33 -13.229 3.327 -8.627 252 2HD LYS 33 2HD LYS 33 -14.218 1.870 -8.517 253 1HE LYS 33 1HE LYS 33 -14.604 4.105 -10.524 254 2HE LYS 33 2HE LYS 33 -13.871 2.539 -10.866 255 1HZ LYS 33 1HZ LYS 33 -16.023 1.571 -9.975 256 2HZ LYS 33 2HZ LYS 33 -16.672 3.134 -10.130 257 3HZ LYS 33 3HZ LYS 33 -16.090 2.312 -11.499 258 H TYR 34 H TYR 34 -16.078 2.474 -4.035 259 HA TYR 34 HA TYR 34 -18.723 1.766 -5.191 260 1HB TYR 34 1HB TYR 34 -17.021 0.361 -3.108 261 2HB TYR 34 2HB TYR 34 -18.539 -0.254 -3.760 262 HD1 TYR 34 HD1 TYR 34 -18.713 -0.845 -6.187 263 HD2 TYR 34 HD2 TYR 34 -14.979 0.232 -4.357 264 HE1 TYR 34 HE1 TYR 34 -17.488 -1.826 -8.108 265 HE2 TYR 34 HE2 TYR 34 -13.754 -0.745 -6.277 266 HH TYR 34 HH TYR 34 -13.923 -1.885 -8.178 267 H GLY 35 H GLY 35 -17.548 3.736 -2.753 268 1HA GLY 35 1HA GLY 35 -20.210 4.055 -1.613 269 2HA GLY 35 2HA GLY 35 -18.774 4.966 -1.153 270 H VAL 36 H VAL 36 -17.295 2.346 -0.663 271 HA VAL 36 HA VAL 36 -18.704 0.927 1.410 272 HB VAL 36 HB VAL 36 -15.694 1.146 1.315 273 1HG1 VAL 36 1HG1 VAL 36 -17.031 -0.231 3.040 274 2HG1 VAL 36 2HG1 VAL 36 -17.424 -1.301 1.696 275 3HG1 VAL 36 3HG1 VAL 36 -15.743 -1.062 2.173 276 1HG2 VAL 36 1HG2 VAL 36 -17.534 -0.233 -0.647 277 2HG2 VAL 36 2HG2 VAL 36 -16.181 0.843 -0.986 278 3HG2 VAL 36 3HG2 VAL 36 -15.879 -0.783 -0.383 279 H SER 37 H SER 37 -18.139 1.004 3.752 280 HA SER 37 HA SER 37 -18.417 3.556 4.888 281 1HB SER 37 1HB SER 37 -18.065 2.532 6.972 282 2HB SER 37 2HB SER 37 -18.595 1.183 5.972 283 HG SER 37 HG SER 37 -16.093 1.774 7.032 284 H ASP 38 H ASP 38 -16.948 5.059 5.739 285 HA ASP 38 HA ASP 38 -14.402 5.275 4.397 286 1HB ASP 38 1HB ASP 38 -14.105 7.277 5.824 287 2HB ASP 38 2HB ASP 38 -15.715 7.246 5.103 288 H TYR 39 H TYR 39 -15.403 3.682 7.258 289 HA TYR 39 HA TYR 39 -13.081 3.861 8.879 290 1HB TYR 39 1HB TYR 39 -15.124 2.913 9.750 291 2HB TYR 39 2HB TYR 39 -15.101 1.632 8.538 292 HD1 TYR 39 HD1 TYR 39 -13.589 2.867 11.663 293 HD2 TYR 39 HD2 TYR 39 -13.523 -0.203 8.664 294 HE1 TYR 39 HE1 TYR 39 -12.183 1.453 13.140 295 HE2 TYR 39 HE2 TYR 39 -12.124 -1.613 10.129 296 HH TYR 39 HH TYR 39 -10.853 -0.392 13.195 297 H TYR 40 H TYR 40 -13.841 1.611 6.232 298 HA TYR 40 HA TYR 40 -11.646 -0.139 6.554 299 1HB TYR 40 1HB TYR 40 -13.153 0.709 4.073 300 2HB TYR 40 2HB TYR 40 -11.952 -0.581 4.083 301 HD1 TYR 40 HD1 TYR 40 -12.265 -2.463 5.866 302 HD2 TYR 40 HD2 TYR 40 -15.383 0.223 4.636 303 HE1 TYR 40 HE1 TYR 40 -13.969 -4.057 6.705 304 HE2 TYR 40 HE2 TYR 40 -17.088 -1.372 5.475 305 HH TYR 40 HH TYR 40 -16.765 -3.493 7.529 306 H LYS 41 H LYS 41 -11.755 3.016 4.876 307 HA LYS 41 HA LYS 41 -9.247 2.717 3.560 308 1HB LYS 41 1HB LYS 41 -9.513 4.922 2.908 309 2HB LYS 41 2HB LYS 41 -11.156 4.620 3.454 310 1HG LYS 41 1HG LYS 41 -10.625 5.638 5.644 311 2HG LYS 41 2HG LYS 41 -8.964 5.918 5.123 312 1HD LYS 41 1HD LYS 41 -10.270 7.966 4.854 313 2HD LYS 41 2HD LYS 41 -9.778 7.346 3.280 314 1HE LYS 41 1HE LYS 41 -11.940 6.685 2.714 315 2HE LYS 41 2HE LYS 41 -12.438 6.513 4.396 316 1HZ LYS 41 1HZ LYS 41 -12.297 8.938 4.615 317 2HZ LYS 41 2HZ LYS 41 -11.926 9.060 2.962 318 3HZ LYS 41 3HZ LYS 41 -13.438 8.462 3.448 319 H ASN 42 H ASN 42 -10.100 3.843 6.793 320 HA ASN 42 HA ASN 42 -7.445 4.608 7.523 321 1HB ASN 42 1HB ASN 42 -9.834 3.784 9.188 322 2HB ASN 42 2HB ASN 42 -8.319 4.348 9.892 323 2HD2 ASN 42 2HD2 ASN 42 -7.545 6.512 8.517 324 1HD2 ASN 42 1HD2 ASN 42 -8.761 7.692 8.415 325 H LEU 43 H LEU 43 -9.228 1.561 7.767 326 HA LEU 43 HA LEU 43 -7.358 0.157 9.368 327 1HB LEU 43 1HB LEU 43 -9.612 -0.703 8.862 328 2HB LEU 43 2HB LEU 43 -9.161 -0.911 7.172 329 HG LEU 43 HG LEU 43 -7.430 -2.547 7.830 330 1HD1 LEU 43 1HD1 LEU 43 -8.360 -1.775 10.595 331 2HD1 LEU 43 2HD1 LEU 43 -7.700 -3.385 10.307 332 3HD1 LEU 43 3HD1 LEU 43 -6.713 -1.961 9.991 333 1HD2 LEU 43 1HD2 LEU 43 -10.207 -3.058 8.943 334 2HD2 LEU 43 2HD2 LEU 43 -9.650 -3.401 7.306 335 3HD2 LEU 43 3HD2 LEU 43 -9.005 -4.319 8.666 336 H ILE 44 H ILE 44 -7.490 0.565 5.814 337 HA ILE 44 HA ILE 44 -5.293 -1.154 5.203 338 HB ILE 44 HB ILE 44 -6.337 1.331 3.818 339 1HG1 ILE 44 1HG1 ILE 44 -6.534 -1.600 3.072 340 2HG1 ILE 44 2HG1 ILE 44 -7.774 -0.751 3.996 341 1HG2 ILE 44 1HG2 ILE 44 -4.168 -0.626 3.009 342 2HG2 ILE 44 2HG2 ILE 44 -5.035 0.359 1.830 343 3HG2 ILE 44 3HG2 ILE 44 -4.065 1.134 3.084 344 1HD1 ILE 44 1HD1 ILE 44 -7.822 0.945 2.071 345 2HD1 ILE 44 2HD1 ILE 44 -6.886 -0.236 1.155 346 3HD1 ILE 44 3HD1 ILE 44 -8.500 -0.648 1.733 347 H ASN 45 H ASN 45 -5.403 2.270 6.115 348 HA ASN 45 HA ASN 45 -2.814 3.099 5.646 349 1HB ASN 45 1HB ASN 45 -4.652 4.429 6.755 350 2HB ASN 45 2HB ASN 45 -4.253 3.604 8.261 351 2HD2 ASN 45 2HD2 ASN 45 -3.598 5.782 9.117 352 1HD2 ASN 45 1HD2 ASN 45 -2.079 6.414 8.703 353 H ASN 46 H ASN 46 -3.782 0.621 7.930 354 HA ASN 46 HA ASN 46 -1.158 0.721 9.303 355 1HB ASN 46 1HB ASN 46 -2.033 -0.906 10.805 356 2HB ASN 46 2HB ASN 46 -3.359 0.209 10.491 357 2HD2 ASN 46 2HD2 ASN 46 -4.164 -2.243 11.378 358 1HD2 ASN 46 1HD2 ASN 46 -4.786 -3.190 10.114 359 H ALA 47 H ALA 47 -2.213 -0.530 6.415 360 HA ALA 47 HA ALA 47 -1.014 -3.162 6.519 361 1HB ALA 47 1HB ALA 47 -1.841 -1.344 4.252 362 2HB ALA 47 2HB ALA 47 -1.068 -2.901 3.960 363 3HB ALA 47 3HB ALA 47 -2.618 -2.829 4.797 364 H LYS 48 H LYS 48 1.089 -3.755 6.129 365 HA LYS 48 HA LYS 48 3.065 -1.553 5.625 366 1HB LYS 48 1HB LYS 48 3.486 -4.290 6.866 367 2HB LYS 48 2HB LYS 48 4.699 -3.022 6.719 368 1HG LYS 48 1HG LYS 48 2.095 -2.684 8.236 369 2HG LYS 48 2HG LYS 48 3.608 -3.169 8.996 370 1HD LYS 48 1HD LYS 48 4.606 -1.031 7.919 371 2HD LYS 48 2HD LYS 48 2.931 -0.538 7.676 372 1HE LYS 48 1HE LYS 48 2.485 -0.719 10.065 373 2HE LYS 48 2HE LYS 48 4.117 -1.323 10.351 374 1HZ LYS 48 1HZ LYS 48 4.105 1.127 8.880 375 2HZ LYS 48 2HZ LYS 48 3.340 1.292 10.384 376 3HZ LYS 48 3HZ LYS 48 4.940 0.724 10.304 377 H THR 49 H THR 49 1.900 -4.667 4.510 378 HA THR 49 HA THR 49 4.046 -4.769 2.429 379 HB THR 49 HB THR 49 3.276 -7.074 2.065 380 HG1 THR 49 HG1 THR 49 1.491 -7.805 2.981 381 1HG2 THR 49 1HG2 THR 49 4.902 -6.500 3.910 382 2HG2 THR 49 2HG2 THR 49 3.541 -6.530 5.031 383 3HG2 THR 49 3HG2 THR 49 4.006 -7.996 4.169 384 H VAL 50 H VAL 50 3.543 -4.560 0.263 385 HA VAL 50 HA VAL 50 1.172 -3.189 -0.526 386 HB VAL 50 HB VAL 50 3.171 -4.802 -2.113 387 1HG1 VAL 50 1HG1 VAL 50 0.826 -3.125 -3.015 388 2HG1 VAL 50 2HG1 VAL 50 2.211 -3.430 -4.065 389 3HG1 VAL 50 3HG1 VAL 50 1.230 -4.776 -3.485 390 1HG2 VAL 50 1HG2 VAL 50 2.777 -1.840 -1.608 391 2HG2 VAL 50 2HG2 VAL 50 4.140 -2.833 -1.092 392 3HG2 VAL 50 3HG2 VAL 50 3.901 -2.485 -2.804 393 H GLU 51 H GLU 51 2.073 -6.645 -0.834 394 HA GLU 51 HA GLU 51 -0.313 -7.459 -2.159 395 1HB GLU 51 1HB GLU 51 0.255 -9.710 -1.492 396 2HB GLU 51 2HB GLU 51 1.765 -8.872 -1.839 397 1HG GLU 51 1HG GLU 51 1.932 -8.356 0.638 398 2HG GLU 51 2HG GLU 51 0.571 -9.450 0.885 399 H GLY 52 H GLY 52 0.476 -6.988 1.237 400 1HA GLY 52 1HA GLY 52 -0.917 -6.826 3.113 401 2HA GLY 52 2HA GLY 52 -1.912 -8.070 2.352 402 H VAL 53 H VAL 53 -1.183 -4.969 0.809 403 HA VAL 53 HA VAL 53 -3.602 -3.645 1.688 404 HB VAL 53 HB VAL 53 -1.863 -3.139 -0.745 405 1HG1 VAL 53 1HG1 VAL 53 -4.134 -1.590 0.510 406 2HG1 VAL 53 2HG1 VAL 53 -2.940 -0.828 -0.539 407 3HG1 VAL 53 3HG1 VAL 53 -3.972 -2.112 -1.166 408 1HG2 VAL 53 1HG2 VAL 53 -0.753 -2.922 1.494 409 2HG2 VAL 53 2HG2 VAL 53 -0.852 -1.394 0.621 410 3HG2 VAL 53 3HG2 VAL 53 -1.973 -1.731 1.941 411 H LYS 54 H LYS 54 -2.760 -5.150 -1.460 412 HA LYS 54 HA LYS 54 -5.404 -4.928 -2.542 413 1HB LYS 54 1HB LYS 54 -3.400 -5.347 -3.936 414 2HB LYS 54 2HB LYS 54 -3.236 -6.942 -3.202 415 1HG LYS 54 1HG LYS 54 -5.331 -7.675 -4.131 416 2HG LYS 54 2HG LYS 54 -5.729 -6.042 -4.664 417 1HD LYS 54 1HD LYS 54 -4.937 -7.318 -6.580 418 2HD LYS 54 2HD LYS 54 -3.733 -6.097 -6.172 419 1HE LYS 54 1HE LYS 54 -2.287 -7.691 -5.180 420 2HE LYS 54 2HE LYS 54 -3.564 -8.903 -5.067 421 1HZ LYS 54 1HZ LYS 54 -2.916 -7.897 -7.725 422 2HZ LYS 54 2HZ LYS 54 -1.767 -8.910 -6.989 423 3HZ LYS 54 3HZ LYS 54 -3.352 -9.463 -7.232 424 H ALA 55 H ALA 55 -3.776 -7.497 -0.720 425 HA ALA 55 HA ALA 55 -5.819 -9.468 -0.951 426 1HB ALA 55 1HB ALA 55 -4.796 -10.442 1.106 427 2HB ALA 55 2HB ALA 55 -3.821 -8.982 1.275 428 3HB ALA 55 3HB ALA 55 -3.598 -10.033 -0.124 429 H LEU 56 H LEU 56 -5.489 -6.721 1.257 430 HA LEU 56 HA LEU 56 -7.581 -7.567 3.054 431 1HB LEU 56 1HB LEU 56 -5.848 -5.787 3.570 432 2HB LEU 56 2HB LEU 56 -6.717 -4.718 2.473 433 HG LEU 56 HG LEU 56 -8.815 -5.279 3.908 434 1HD1 LEU 56 1HD1 LEU 56 -6.573 -6.254 5.695 435 2HD1 LEU 56 2HD1 LEU 56 -8.113 -5.698 6.344 436 3HD1 LEU 56 3HD1 LEU 56 -8.065 -7.086 5.262 437 1HD2 LEU 56 1HD2 LEU 56 -6.500 -3.526 4.723 438 2HD2 LEU 56 2HD2 LEU 56 -8.056 -3.068 4.029 439 3HD2 LEU 56 3HD2 LEU 56 -7.961 -3.583 5.710 440 H ILE 57 H ILE 57 -7.476 -5.545 0.147 441 HA ILE 57 HA ILE 57 -10.204 -4.699 0.182 442 HB ILE 57 HB ILE 57 -8.463 -5.347 -2.220 443 1HG1 ILE 57 1HG1 ILE 57 -7.347 -3.685 -0.837 444 2HG1 ILE 57 2HG1 ILE 57 -8.033 -2.871 -2.238 445 1HG2 ILE 57 1HG2 ILE 57 -11.000 -3.738 -1.898 446 2HG2 ILE 57 2HG2 ILE 57 -9.971 -3.653 -3.330 447 3HG2 ILE 57 3HG2 ILE 57 -10.749 -5.172 -2.890 448 1HD1 ILE 57 1HD1 ILE 57 -10.105 -2.488 -0.659 449 2HD1 ILE 57 2HD1 ILE 57 -8.937 -2.790 0.627 450 3HD1 ILE 57 3HD1 ILE 57 -8.684 -1.457 -0.497 451 H ASP 58 H ASP 58 -8.588 -7.600 -1.040 452 HA ASP 58 HA ASP 58 -10.859 -8.779 -2.305 453 1HB ASP 58 1HB ASP 58 -8.449 -10.027 -0.955 454 2HB ASP 58 2HB ASP 58 -9.645 -10.959 -1.858 455 H GLU 59 H GLU 59 -9.735 -8.872 1.065 456 HA GLU 59 HA GLU 59 -11.795 -10.695 1.952 457 1HB GLU 59 1HB GLU 59 -10.044 -8.711 3.435 458 2HB GLU 59 2HB GLU 59 -11.161 -9.812 4.239 459 1HG GLU 59 1HG GLU 59 -8.957 -10.712 2.362 460 2HG GLU 59 2HG GLU 59 -8.805 -10.682 4.118 461 H ILE 60 H ILE 60 -11.443 -7.171 1.827 462 HA ILE 60 HA ILE 60 -13.919 -6.625 3.183 463 HB ILE 60 HB ILE 60 -12.283 -4.923 1.283 464 1HG1 ILE 60 1HG1 ILE 60 -12.513 -4.807 4.305 465 2HG1 ILE 60 2HG1 ILE 60 -11.231 -5.684 3.468 466 1HG2 ILE 60 1HG2 ILE 60 -14.676 -4.303 3.028 467 2HG2 ILE 60 2HG2 ILE 60 -13.572 -3.050 2.461 468 3HG2 ILE 60 3HG2 ILE 60 -14.490 -4.008 1.300 469 1HD1 ILE 60 1HD1 ILE 60 -11.823 -2.734 3.090 470 2HD1 ILE 60 2HD1 ILE 60 -10.545 -3.372 4.123 471 3HD1 ILE 60 3HD1 ILE 60 -10.482 -3.632 2.380 472 H LEU 61 H LEU 61 -13.031 -6.809 -0.270 473 HA LEU 61 HA LEU 61 -15.693 -6.175 -1.195 474 1HB LEU 61 1HB LEU 61 -13.352 -7.550 -2.550 475 2HB LEU 61 2HB LEU 61 -14.865 -7.188 -3.378 476 HG LEU 61 HG LEU 61 -13.001 -5.164 -2.089 477 1HD1 LEU 61 1HD1 LEU 61 -12.277 -6.267 -4.259 478 2HD1 LEU 61 2HD1 LEU 61 -13.706 -5.558 -5.010 479 3HD1 LEU 61 3HD1 LEU 61 -12.452 -4.513 -4.343 480 1HD2 LEU 61 1HD2 LEU 61 -15.764 -4.950 -3.263 481 2HD2 LEU 61 2HD2 LEU 61 -15.053 -4.072 -1.909 482 3HD2 LEU 61 3HD2 LEU 61 -14.634 -3.628 -3.559 483 H ALA 62 H ALA 62 -13.986 -9.211 -0.533 484 HA ALA 62 HA ALA 62 -16.071 -10.932 -1.514 485 1HB ALA 62 1HB ALA 62 -14.087 -11.542 0.694 486 2HB ALA 62 2HB ALA 62 -13.696 -11.632 -1.024 487 3HB ALA 62 3HB ALA 62 -14.918 -12.703 -0.340 488 H ALA 63 H ALA 63 -15.601 -9.209 1.499 489 HA ALA 63 HA ALA 63 -17.348 -10.704 3.168 490 1HB ALA 63 1HB ALA 63 -15.850 -8.892 3.975 491 2HB ALA 63 2HB ALA 63 -16.885 -7.707 3.180 492 3HB ALA 63 3HB ALA 63 -17.512 -8.667 4.519 493 H LEU 64 H LEU 64 -18.042 -8.049 0.891 494 HA LEU 64 HA LEU 64 -20.835 -7.904 1.565 495 1HB LEU 64 1HB LEU 64 -19.266 -7.032 -0.871 496 2HB LEU 64 2HB LEU 64 -20.985 -6.708 -0.692 497 HG LEU 64 HG LEU 64 -18.963 -5.899 1.413 498 1HD1 LEU 64 1HD1 LEU 64 -19.962 -4.300 -0.964 499 2HD1 LEU 64 2HD1 LEU 64 -19.043 -3.629 0.384 500 3HD1 LEU 64 3HD1 LEU 64 -18.303 -4.825 -0.680 501 1HD2 LEU 64 1HD2 LEU 64 -21.855 -5.227 0.816 502 2HD2 LEU 64 2HD2 LEU 64 -21.138 -5.759 2.335 503 3HD2 LEU 64 3HD2 LEU 64 -20.852 -4.124 1.756 504 HA PRO 65 HA PRO 65 -22.309 -11.532 -0.560 505 1HB PRO 65 1HB PRO 65 -24.700 -10.438 -1.637 506 2HB PRO 65 2HB PRO 65 -24.516 -11.219 -0.063 507 1HG PRO 65 1HG PRO 65 -24.765 -8.342 -0.701 508 2HG PRO 65 2HG PRO 65 -25.097 -9.186 0.818 509 1HD PRO 65 1HD PRO 65 -22.872 -7.548 0.346 510 2HD PRO 65 2HD PRO 65 -22.981 -8.770 1.636 No H/Q in entry = 510 Start of MODEL 5 1 H1 MET 1 H1 MET 1 34.640 -5.511 -24.378 2 H2 MET 1 H2 MET 1 35.382 -6.195 -23.012 3 H3 MET 1 H3 MET 1 35.382 -7.036 -24.484 4 HA MET 1 HA MET 1 33.292 -7.796 -24.237 5 1HB MET 1 1HB MET 1 34.098 -7.004 -21.427 6 2HB MET 1 2HB MET 1 32.709 -8.031 -21.783 7 1HG MET 1 1HG MET 1 34.195 -9.632 -22.943 8 2HG MET 1 2HG MET 1 35.583 -8.614 -22.561 9 1HE MET 1 1HE MET 1 36.117 -7.773 -20.434 10 2HE MET 1 2HE MET 1 34.784 -7.735 -19.282 11 3HE MET 1 3HE MET 1 36.196 -8.754 -18.973 12 H LYS 2 H LYS 2 31.018 -7.363 -23.635 13 HA LYS 2 HA LYS 2 30.413 -4.466 -23.821 14 1HB LYS 2 1HB LYS 2 27.971 -5.519 -23.952 15 2HB LYS 2 2HB LYS 2 29.044 -5.562 -25.348 16 1HG LYS 2 1HG LYS 2 27.994 -7.758 -24.952 17 2HG LYS 2 2HG LYS 2 29.743 -7.846 -24.773 18 1HD LYS 2 1HD LYS 2 29.599 -7.904 -22.396 19 2HD LYS 2 2HD LYS 2 27.911 -7.393 -22.410 20 1HE LYS 2 1HE LYS 2 27.254 -9.510 -23.461 21 2HE LYS 2 2HE LYS 2 28.941 -10.017 -23.530 22 1HZ LYS 2 1HZ LYS 2 27.959 -9.198 -20.921 23 2HZ LYS 2 2HZ LYS 2 27.308 -10.641 -21.533 24 3HZ LYS 2 3HZ LYS 2 28.989 -10.482 -21.344 25 H ALA 3 H ALA 3 30.998 -6.585 -21.383 26 HA ALA 3 HA ALA 3 28.845 -5.636 -19.572 27 1HB ALA 3 1HB ALA 3 29.733 -8.058 -19.670 28 2HB ALA 3 2HB ALA 3 29.563 -7.327 -18.075 29 3HB ALA 3 3HB ALA 3 31.153 -7.440 -18.830 30 H ILE 4 H ILE 4 29.173 -4.022 -18.117 31 HA ILE 4 HA ILE 4 31.960 -3.227 -17.396 32 HB ILE 4 HB ILE 4 31.385 -0.852 -17.705 33 1HG1 ILE 4 1HG1 ILE 4 28.790 -1.929 -18.861 34 2HG1 ILE 4 2HG1 ILE 4 28.946 -1.032 -17.351 35 1HG2 ILE 4 1HG2 ILE 4 32.367 -2.247 -19.576 36 2HG2 ILE 4 2HG2 ILE 4 30.736 -2.395 -20.226 37 3HG2 ILE 4 3HG2 ILE 4 31.495 -0.807 -20.106 38 1HD1 ILE 4 1HD1 ILE 4 30.050 0.819 -18.760 39 2HD1 ILE 4 2HD1 ILE 4 29.406 -0.034 -20.162 40 3HD1 ILE 4 3HD1 ILE 4 28.306 0.606 -18.941 41 H PHE 5 H PHE 5 31.801 -1.557 -15.492 42 HA PHE 5 HA PHE 5 30.557 -2.751 -13.283 43 1HB PHE 5 1HB PHE 5 32.264 -0.926 -13.155 44 2HB PHE 5 2HB PHE 5 31.028 0.226 -13.654 45 HD1 PHE 5 HD1 PHE 5 32.150 -2.031 -10.961 46 HD2 PHE 5 HD2 PHE 5 29.233 0.893 -12.145 47 HE1 PHE 5 HE1 PHE 5 31.401 -1.826 -8.607 48 HE2 PHE 5 HE2 PHE 5 28.483 1.096 -9.788 49 HZ PHE 5 HZ PHE 5 29.566 -0.264 -8.020 50 H VAL 6 H VAL 6 28.497 -2.681 -12.422 51 HA VAL 6 HA VAL 6 26.351 -1.781 -14.149 52 HB VAL 6 HB VAL 6 24.861 -2.576 -12.361 53 1HG1 VAL 6 1HG1 VAL 6 25.983 -4.200 -13.908 54 2HG1 VAL 6 2HG1 VAL 6 27.232 -4.437 -12.686 55 3HG1 VAL 6 3HG1 VAL 6 25.564 -4.899 -12.342 56 1HG2 VAL 6 1HG2 VAL 6 27.444 -2.748 -10.785 57 2HG2 VAL 6 2HG2 VAL 6 26.012 -1.797 -10.392 58 3HG2 VAL 6 3HG2 VAL 6 25.954 -3.554 -10.295 59 H LEU 7 H LEU 7 25.197 0.098 -14.059 60 HA LEU 7 HA LEU 7 24.999 1.736 -11.695 61 1HB LEU 7 1HB LEU 7 26.238 3.710 -12.552 62 2HB LEU 7 2HB LEU 7 27.297 2.339 -12.257 63 HG LEU 7 HG LEU 7 26.994 1.755 -14.741 64 1HD1 LEU 7 1HD1 LEU 7 25.466 4.303 -14.609 65 2HD1 LEU 7 2HD1 LEU 7 26.632 4.212 -15.927 66 3HD1 LEU 7 3HD1 LEU 7 25.381 2.991 -15.777 67 1HD2 LEU 7 1HD2 LEU 7 28.437 4.263 -13.839 68 2HD2 LEU 7 2HD2 LEU 7 29.087 2.625 -13.918 69 3HD2 LEU 7 3HD2 LEU 7 28.707 3.498 -15.403 70 H ASN 8 H ASN 8 24.249 0.906 -14.883 71 HA ASN 8 HA ASN 8 22.751 3.250 -15.651 72 1HB ASN 8 1HB ASN 8 21.800 1.791 -17.394 73 2HB ASN 8 2HB ASN 8 23.550 1.586 -17.290 74 2HD2 ASN 8 2HD2 ASN 8 21.803 -0.472 -18.340 75 1HD2 ASN 8 1HD2 ASN 8 21.878 -1.799 -17.284 76 H ALA 9 H ALA 9 21.879 0.211 -14.025 77 HA ALA 9 HA ALA 9 19.048 1.062 -13.829 78 1HB ALA 9 1HB ALA 9 19.392 -1.267 -14.326 79 2HB ALA 9 2HB ALA 9 18.800 -1.169 -12.668 80 3HB ALA 9 3HB ALA 9 20.514 -1.444 -12.975 81 H GLN 10 H GLN 10 17.980 1.336 -11.811 82 HA GLN 10 HA GLN 10 19.660 2.538 -9.734 83 1HB GLN 10 1HB GLN 10 16.669 2.143 -9.997 84 2HB GLN 10 2HB GLN 10 17.428 2.938 -8.617 85 1HG GLN 10 1HG GLN 10 18.454 4.598 -10.123 86 2HG GLN 10 2HG GLN 10 17.708 3.803 -11.510 87 2HE2 GLN 10 2HE2 GLN 10 17.257 6.578 -10.177 88 1HE2 GLN 10 1HE2 GLN 10 15.573 6.650 -9.977 89 H HIS 11 H HIS 11 19.302 1.903 -7.408 90 HA HIS 11 HA HIS 11 20.153 -0.629 -6.761 91 1HB HIS 11 1HB HIS 11 18.212 1.107 -5.212 92 2HB HIS 11 2HB HIS 11 19.038 -0.297 -4.533 93 HD1 HIS 11 HD1 HIS 11 21.800 -0.164 -4.852 94 HD2 HIS 11 HD2 HIS 11 19.683 3.428 -4.939 95 HE1 HIS 11 HE1 HIS 11 23.486 1.673 -4.407 96 H ASP 12 H ASP 12 19.181 -2.240 -8.065 97 HA ASP 12 HA ASP 12 16.376 -2.688 -8.316 98 1HB ASP 12 1HB ASP 12 18.739 -4.572 -8.523 99 2HB ASP 12 2HB ASP 12 17.085 -5.048 -8.910 100 H GLU 13 H GLU 13 18.751 -3.892 -5.959 101 HA GLU 13 HA GLU 13 17.069 -5.753 -4.649 102 1HB GLU 13 1HB GLU 13 18.547 -5.416 -2.670 103 2HB GLU 13 2HB GLU 13 19.448 -5.680 -4.158 104 1HG GLU 13 1HG GLU 13 18.811 -2.891 -3.164 105 2HG GLU 13 2HG GLU 13 20.242 -3.764 -2.623 106 H ALA 14 H ALA 14 16.934 -2.291 -4.650 107 HA ALA 14 HA ALA 14 15.751 -1.764 -2.142 108 1HB ALA 14 1HB ALA 14 14.808 0.213 -3.136 109 2HB ALA 14 2HB ALA 14 14.853 -0.502 -4.746 110 3HB ALA 14 3HB ALA 14 16.358 -0.063 -3.934 111 H VAL 15 H VAL 15 13.871 -2.486 -1.246 112 HA VAL 15 HA VAL 15 12.172 -4.366 -2.535 113 HB VAL 15 HB VAL 15 11.644 -2.567 -0.154 114 1HG1 VAL 15 1HG1 VAL 15 10.121 -4.924 -1.281 115 2HG1 VAL 15 2HG1 VAL 15 9.946 -4.397 0.393 116 3HG1 VAL 15 3HG1 VAL 15 9.510 -3.308 -0.925 117 1HG2 VAL 15 1HG2 VAL 15 12.692 -5.393 -0.461 118 2HG2 VAL 15 2HG2 VAL 15 13.509 -4.016 0.280 119 3HG2 VAL 15 3HG2 VAL 15 12.113 -4.745 1.073 120 H ASP 16 H ASP 16 11.597 -0.894 -1.862 121 HA ASP 16 HA ASP 16 10.203 -0.460 -4.335 122 1HB ASP 16 1HB ASP 16 7.921 -0.084 -3.323 123 2HB ASP 16 2HB ASP 16 8.413 -1.777 -3.375 124 H ALA 17 H ALA 17 8.531 1.636 -3.638 125 HA ALA 17 HA ALA 17 9.894 3.419 -1.754 126 1HB ALA 17 1HB ALA 17 11.385 3.748 -3.610 127 2HB ALA 17 2HB ALA 17 10.041 3.865 -4.746 128 3HB ALA 17 3HB ALA 17 10.315 5.149 -3.568 129 H ASN 18 H ASN 18 8.484 5.088 -4.351 130 HA ASN 18 HA ASN 18 6.267 5.985 -2.738 131 1HB ASN 18 1HB ASN 18 6.948 6.323 -5.666 132 2HB ASN 18 2HB ASN 18 5.530 7.064 -4.923 133 2HD2 ASN 18 2HD2 ASN 18 6.279 8.120 -2.600 134 1HD2 ASN 18 1HD2 ASN 18 7.624 9.146 -2.738 135 H SER 19 H SER 19 6.694 3.301 -4.868 136 HA SER 19 HA SER 19 4.030 2.903 -5.782 137 1HB SER 19 1HB SER 19 6.164 0.865 -5.071 138 2HB SER 19 2HB SER 19 4.693 0.501 -5.970 139 HG SER 19 HG SER 19 6.039 2.659 -6.953 140 H LEU 20 H LEU 20 5.615 1.936 -2.754 141 HA LEU 20 HA LEU 20 3.491 0.351 -1.713 142 1HB LEU 20 1HB LEU 20 5.973 0.854 -0.879 143 2HB LEU 20 2HB LEU 20 5.165 2.057 0.116 144 HG LEU 20 HG LEU 20 4.541 -0.913 0.046 145 1HD1 LEU 20 1HD1 LEU 20 5.807 0.849 2.164 146 2HD1 LEU 20 2HD1 LEU 20 5.398 -0.853 2.371 147 3HD1 LEU 20 3HD1 LEU 20 6.634 -0.380 1.208 148 1HD2 LEU 20 1HD2 LEU 20 3.241 1.440 1.425 149 2HD2 LEU 20 2HD2 LEU 20 2.477 0.126 0.527 150 3HD2 LEU 20 3HD2 LEU 20 3.152 -0.173 2.128 151 H ALA 21 H ALA 21 4.227 3.821 -1.152 152 HA ALA 21 HA ALA 21 1.885 4.341 0.394 153 1HB ALA 21 1HB ALA 21 4.007 5.797 0.120 154 2HB ALA 21 2HB ALA 21 3.240 6.403 -1.348 155 3HB ALA 21 3HB ALA 21 2.457 6.632 0.217 156 H GLU 22 H GLU 22 2.547 4.610 -3.080 157 HA GLU 22 HA GLU 22 0.098 5.828 -3.849 158 1HB GLU 22 1HB GLU 22 2.089 5.525 -5.334 159 2HB GLU 22 2HB GLU 22 1.705 3.806 -5.433 160 1HG GLU 22 1HG GLU 22 -0.483 4.323 -6.408 161 2HG GLU 22 2HG GLU 22 -0.156 6.052 -6.262 162 H ALA 23 H ALA 23 0.941 2.400 -3.381 163 HA ALA 23 HA ALA 23 -1.466 1.292 -4.404 164 1HB ALA 23 1HB ALA 23 0.020 0.186 -2.013 165 2HB ALA 23 2HB ALA 23 -0.893 -0.704 -3.232 166 3HB ALA 23 3HB ALA 23 0.647 0.046 -3.656 167 H LYS 24 H LYS 24 -0.683 2.479 -1.126 168 HA LYS 24 HA LYS 24 -3.259 1.779 -0.034 169 1HB LYS 24 1HB LYS 24 -1.194 3.825 0.829 170 2HB LYS 24 2HB LYS 24 -2.665 3.483 1.743 171 1HG LYS 24 1HG LYS 24 -2.001 1.108 1.921 172 2HG LYS 24 2HG LYS 24 -0.527 1.457 1.018 173 1HD LYS 24 1HD LYS 24 0.182 3.039 2.776 174 2HD LYS 24 2HD LYS 24 -1.291 2.688 3.681 175 1HE LYS 24 1HE LYS 24 -0.640 0.386 3.991 176 2HE LYS 24 2HE LYS 24 0.730 0.572 2.895 177 1HZ LYS 24 1HZ LYS 24 1.390 2.435 4.552 178 2HZ LYS 24 2HZ LYS 24 0.385 1.595 5.629 179 3HZ LYS 24 3HZ LYS 24 1.722 0.813 4.930 180 H VAL 25 H VAL 25 -1.938 4.686 -1.582 181 HA VAL 25 HA VAL 25 -4.230 6.351 -1.186 182 HB VAL 25 HB VAL 25 -2.099 6.351 -3.333 183 1HG1 VAL 25 1HG1 VAL 25 -4.380 8.254 -2.796 184 2HG1 VAL 25 2HG1 VAL 25 -2.913 8.776 -3.624 185 3HG1 VAL 25 3HG1 VAL 25 -3.917 7.506 -4.324 186 1HG2 VAL 25 1HG2 VAL 25 -1.528 6.804 -0.871 187 2HG2 VAL 25 2HG2 VAL 25 -1.059 8.052 -2.024 188 3HG2 VAL 25 3HG2 VAL 25 -2.497 8.268 -1.028 189 H LEU 26 H LEU 26 -3.273 4.276 -3.938 190 HA LEU 26 HA LEU 26 -5.628 4.781 -5.491 191 1HB LEU 26 1HB LEU 26 -3.717 2.426 -5.429 192 2HB LEU 26 2HB LEU 26 -5.010 2.586 -6.614 193 HG LEU 26 HG LEU 26 -2.820 4.641 -6.179 194 1HD1 LEU 26 1HD1 LEU 26 -3.117 2.489 -8.296 195 2HD1 LEU 26 2HD1 LEU 26 -1.901 3.767 -8.319 196 3HD1 LEU 26 3HD1 LEU 26 -1.881 2.552 -7.040 197 1HD2 LEU 26 1HD2 LEU 26 -5.178 4.421 -8.043 198 2HD2 LEU 26 2HD2 LEU 26 -4.537 5.840 -7.215 199 3HD2 LEU 26 3HD2 LEU 26 -3.708 5.199 -8.627 200 H ALA 27 H ALA 27 -4.858 2.322 -3.045 201 HA ALA 27 HA ALA 27 -7.355 0.894 -3.337 202 1HB ALA 27 1HB ALA 27 -5.310 -0.084 -2.281 203 2HB ALA 27 2HB ALA 27 -5.522 1.019 -0.922 204 3HB ALA 27 3HB ALA 27 -6.738 -0.215 -1.253 205 H ASN 28 H ASN 28 -6.271 3.608 -1.363 206 HA ASN 28 HA ASN 28 -8.441 3.716 0.467 207 1HB ASN 28 1HB ASN 28 -6.392 5.071 0.700 208 2HB ASN 28 2HB ASN 28 -6.842 6.002 -0.728 209 2HD2 ASN 28 2HD2 ASN 28 -7.583 5.463 2.681 210 1HD2 ASN 28 1HD2 ASN 28 -8.649 6.775 2.841 211 H ARG 29 H ARG 29 -8.054 5.391 -2.676 212 HA ARG 29 HA ARG 29 -10.705 6.529 -2.595 213 1HB ARG 29 1HB ARG 29 -10.300 7.050 -4.982 214 2HB ARG 29 2HB ARG 29 -8.943 7.523 -3.965 215 1HG ARG 29 1HG ARG 29 -7.764 5.437 -4.562 216 2HG ARG 29 2HG ARG 29 -9.120 4.969 -5.590 217 1HD ARG 29 1HD ARG 29 -7.241 6.041 -6.861 218 2HD ARG 29 2HD ARG 29 -8.772 6.898 -7.024 219 HE ARG 29 HE ARG 29 -7.518 8.131 -4.868 220 1HH1 ARG 29 1HH1 ARG 29 -6.186 9.935 -5.119 221 2HH1 ARG 29 2HH1 ARG 29 -5.401 10.210 -6.638 222 1HH2 ARG 29 1HH2 ARG 29 -6.741 7.388 -8.143 223 2HH2 ARG 29 2HH2 ARG 29 -5.714 8.768 -8.349 224 H GLU 30 H GLU 30 -9.460 3.435 -3.525 225 HA GLU 30 HA GLU 30 -11.484 2.625 -5.349 226 1HB GLU 30 1HB GLU 30 -9.373 1.358 -4.859 227 2HB GLU 30 2HB GLU 30 -10.077 0.874 -3.315 228 1HG GLU 30 1HG GLU 30 -11.952 -0.189 -4.494 229 2HG GLU 30 2HG GLU 30 -11.267 0.296 -6.043 230 H LEU 31 H LEU 31 -11.391 2.537 -1.809 231 HA LEU 31 HA LEU 31 -13.942 1.197 -1.497 232 1HB LEU 31 1HB LEU 31 -12.595 3.101 0.435 233 2HB LEU 31 2HB LEU 31 -13.767 1.845 0.827 234 HG LEU 31 HG LEU 31 -11.017 1.404 -0.335 235 1HD1 LEU 31 1HD1 LEU 31 -12.183 1.086 2.443 236 2HD1 LEU 31 2HD1 LEU 31 -10.715 0.244 1.945 237 3HD1 LEU 31 3HD1 LEU 31 -10.758 2.006 1.960 238 1HD2 LEU 31 1HD2 LEU 31 -13.342 -0.423 0.303 239 2HD2 LEU 31 2HD2 LEU 31 -12.305 -0.407 -1.125 240 3HD2 LEU 31 3HD2 LEU 31 -11.694 -1.036 0.401 241 H ASP 32 H ASP 32 -12.871 4.480 -1.885 242 HA ASP 32 HA ASP 32 -15.188 5.863 -1.043 243 1HB ASP 32 1HB ASP 32 -12.892 6.776 -1.648 244 2HB ASP 32 2HB ASP 32 -13.393 6.663 -3.333 245 H LYS 33 H LYS 33 -14.380 4.424 -4.218 246 HA LYS 33 HA LYS 33 -16.636 5.458 -5.623 247 1HB LYS 33 1HB LYS 33 -15.093 2.881 -5.982 248 2HB LYS 33 2HB LYS 33 -16.352 3.418 -7.093 249 1HG LYS 33 1HG LYS 33 -15.089 5.559 -7.409 250 2HG LYS 33 2HG LYS 33 -13.791 4.899 -6.415 251 1HD LYS 33 1HD LYS 33 -14.793 3.368 -8.820 252 2HD LYS 33 2HD LYS 33 -13.623 4.672 -9.017 253 1HE LYS 33 1HE LYS 33 -12.130 3.546 -7.381 254 2HE LYS 33 2HE LYS 33 -13.280 2.214 -7.274 255 1HZ LYS 33 1HZ LYS 33 -13.041 2.065 -9.772 256 2HZ LYS 33 2HZ LYS 33 -11.681 3.071 -9.608 257 3HZ LYS 33 3HZ LYS 33 -11.707 1.553 -8.853 258 H TYR 34 H TYR 34 -16.286 2.465 -3.704 259 HA TYR 34 HA TYR 34 -19.031 1.657 -4.221 260 1HB TYR 34 1HB TYR 34 -17.164 0.716 -2.024 261 2HB TYR 34 2HB TYR 34 -18.621 -0.104 -2.581 262 HD1 TYR 34 HD1 TYR 34 -18.603 -0.237 -5.394 263 HD2 TYR 34 HD2 TYR 34 -15.199 -0.304 -2.765 264 HE1 TYR 34 HE1 TYR 34 -17.272 -1.376 -7.139 265 HE2 TYR 34 HE2 TYR 34 -13.883 -1.457 -4.515 266 HH TYR 34 HH TYR 34 -13.826 -1.914 -6.770 267 H GLY 35 H GLY 35 -17.453 3.688 -1.870 268 1HA GLY 35 1HA GLY 35 -20.107 4.403 -0.778 269 2HA GLY 35 2HA GLY 35 -18.600 5.271 -0.491 270 H VAL 36 H VAL 36 -17.195 2.707 0.225 271 HA VAL 36 HA VAL 36 -18.537 1.506 2.461 272 HB VAL 36 HB VAL 36 -15.531 1.741 2.340 273 1HG1 VAL 36 1HG1 VAL 36 -16.880 0.471 4.135 274 2HG1 VAL 36 2HG1 VAL 36 -17.243 -0.692 2.861 275 3HG1 VAL 36 3HG1 VAL 36 -15.571 -0.404 3.343 276 1HG2 VAL 36 1HG2 VAL 36 -17.330 0.189 0.467 277 2HG2 VAL 36 2HG2 VAL 36 -16.022 1.294 0.047 278 3HG2 VAL 36 3HG2 VAL 36 -15.654 -0.275 0.763 279 H SER 37 H SER 37 -17.901 1.820 4.773 280 HA SER 37 HA SER 37 -18.147 4.534 5.587 281 1HB SER 37 1HB SER 37 -18.693 2.506 6.982 282 2HB SER 37 2HB SER 37 -16.964 2.275 7.223 283 HG SER 37 HG SER 37 -17.357 4.769 7.758 284 H ASP 38 H ASP 38 -16.556 5.860 6.747 285 HA ASP 38 HA ASP 38 -14.018 5.990 5.375 286 1HB ASP 38 1HB ASP 38 -13.524 7.843 6.911 287 2HB ASP 38 2HB ASP 38 -15.161 7.997 6.271 288 H TYR 39 H TYR 39 -15.107 4.214 8.077 289 HA TYR 39 HA TYR 39 -12.756 4.075 9.669 290 1HB TYR 39 1HB TYR 39 -14.863 3.171 10.468 291 2HB TYR 39 2HB TYR 39 -14.913 2.010 9.141 292 HD1 TYR 39 HD1 TYR 39 -13.447 0.075 9.095 293 HD2 TYR 39 HD2 TYR 39 -13.305 2.880 12.341 294 HE1 TYR 39 HE1 TYR 39 -12.124 -1.537 10.424 295 HE2 TYR 39 HE2 TYR 39 -11.977 1.265 13.678 296 HH TYR 39 HH TYR 39 -10.296 -0.948 12.740 297 H TYR 40 H TYR 40 -13.793 2.032 6.933 298 HA TYR 40 HA TYR 40 -11.583 0.257 6.954 299 1HB TYR 40 1HB TYR 40 -13.239 1.230 4.609 300 2HB TYR 40 2HB TYR 40 -12.162 -0.167 4.575 301 HD1 TYR 40 HD1 TYR 40 -12.697 -2.210 5.818 302 HD2 TYR 40 HD2 TYR 40 -15.331 1.183 5.862 303 HE1 TYR 40 HE1 TYR 40 -14.504 -3.623 6.763 304 HE2 TYR 40 HE2 TYR 40 -17.136 -0.229 6.806 305 HH TYR 40 HH TYR 40 -16.555 -3.641 7.638 306 H LYS 41 H LYS 41 -11.863 3.523 5.630 307 HA LYS 41 HA LYS 41 -9.585 3.502 3.905 308 1HB LYS 41 1HB LYS 41 -10.432 5.831 5.683 309 2HB LYS 41 2HB LYS 41 -9.596 5.919 4.137 310 1HG LYS 41 1HG LYS 41 -12.348 4.721 4.383 311 2HG LYS 41 2HG LYS 41 -12.101 6.450 4.176 312 1HD LYS 41 1HD LYS 41 -10.886 6.053 2.092 313 2HD LYS 41 2HD LYS 41 -11.085 4.307 2.298 314 1HE LYS 41 1HE LYS 41 -13.451 4.460 2.130 315 2HE LYS 41 2HE LYS 41 -13.424 6.215 2.266 316 1HZ LYS 41 1HZ LYS 41 -11.927 4.989 0.071 317 2HZ LYS 41 2HZ LYS 41 -13.621 5.033 -0.051 318 3HZ LYS 41 3HZ LYS 41 -12.748 6.476 0.128 319 H ASN 42 H ASN 42 -10.002 4.403 7.269 320 HA ASN 42 HA ASN 42 -7.278 4.946 7.866 321 1HB ASN 42 1HB ASN 42 -9.121 5.576 9.379 322 2HB ASN 42 2HB ASN 42 -9.427 3.873 9.718 323 2HD2 ASN 42 2HD2 ASN 42 -6.816 6.345 9.958 324 1HD2 ASN 42 1HD2 ASN 42 -6.071 5.638 11.310 325 H LEU 43 H LEU 43 -9.100 1.928 7.885 326 HA LEU 43 HA LEU 43 -7.140 0.310 9.151 327 1HB LEU 43 1HB LEU 43 -9.444 -0.459 8.726 328 2HB LEU 43 2HB LEU 43 -9.131 -0.452 6.992 329 HG LEU 43 HG LEU 43 -7.357 -2.153 7.313 330 1HD1 LEU 43 1HD1 LEU 43 -8.095 -1.739 10.203 331 2HD1 LEU 43 2HD1 LEU 43 -7.510 -3.316 9.676 332 3HD1 LEU 43 3HD1 LEU 43 -6.497 -1.890 9.473 333 1HD2 LEU 43 1HD2 LEU 43 -10.042 -2.853 8.544 334 2HD2 LEU 43 2HD2 LEU 43 -9.655 -2.875 6.825 335 3HD2 LEU 43 3HD2 LEU 43 -8.882 -4.023 7.916 336 H ILE 44 H ILE 44 -7.537 1.279 5.736 337 HA ILE 44 HA ILE 44 -5.474 -0.377 4.649 338 HB ILE 44 HB ILE 44 -6.141 2.447 3.762 339 1HG1 ILE 44 1HG1 ILE 44 -8.255 1.364 3.767 340 2HG1 ILE 44 2HG1 ILE 44 -7.686 1.218 2.113 341 1HG2 ILE 44 1HG2 ILE 44 -4.958 0.028 2.375 342 2HG2 ILE 44 2HG2 ILE 44 -5.494 1.475 1.520 343 3HG2 ILE 44 3HG2 ILE 44 -4.171 1.576 2.683 344 1HD1 ILE 44 1HD1 ILE 44 -6.768 -1.071 2.763 345 2HD1 ILE 44 2HD1 ILE 44 -7.686 -0.906 4.261 346 3HD1 ILE 44 3HD1 ILE 44 -8.526 -0.932 2.715 347 H ASN 45 H ASN 45 -5.372 2.849 6.129 348 HA ASN 45 HA ASN 45 -2.610 3.375 5.681 349 1HB ASN 45 1HB ASN 45 -4.496 4.249 7.890 350 2HB ASN 45 2HB ASN 45 -2.843 4.855 7.737 351 2HD2 ASN 45 2HD2 ASN 45 -5.177 6.556 7.464 352 1HD2 ASN 45 1HD2 ASN 45 -5.220 7.116 5.862 353 H ASN 46 H ASN 46 -4.284 1.626 8.264 354 HA ASN 46 HA ASN 46 -2.057 1.197 9.972 355 1HB ASN 46 1HB ASN 46 -4.382 0.724 10.640 356 2HB ASN 46 2HB ASN 46 -4.446 -0.606 9.483 357 2HD2 ASN 46 2HD2 ASN 46 -4.551 -2.391 10.927 358 1HD2 ASN 46 1HD2 ASN 46 -3.352 -2.736 12.078 359 H ALA 47 H ALA 47 -3.192 -0.673 7.151 360 HA ALA 47 HA ALA 47 -1.582 -2.942 7.364 361 1HB ALA 47 1HB ALA 47 -2.033 -1.386 4.799 362 2HB ALA 47 2HB ALA 47 -1.670 -3.106 4.939 363 3HB ALA 47 3HB ALA 47 -3.215 -2.480 5.515 364 H LYS 48 H LYS 48 0.573 -3.257 7.448 365 HA LYS 48 HA LYS 48 2.380 -0.971 6.832 366 1HB LYS 48 1HB LYS 48 4.035 -2.700 8.039 367 2HB LYS 48 2HB LYS 48 2.969 -1.648 8.964 368 1HG LYS 48 1HG LYS 48 2.838 -3.964 9.784 369 2HG LYS 48 2HG LYS 48 1.293 -3.456 9.114 370 1HD LYS 48 1HD LYS 48 1.727 -4.657 7.051 371 2HD LYS 48 2HD LYS 48 3.375 -5.018 7.570 372 1HE LYS 48 1HE LYS 48 1.966 -6.979 7.949 373 2HE LYS 48 2HE LYS 48 2.460 -6.298 9.499 374 1HZ LYS 48 1HZ LYS 48 -0.107 -5.640 8.169 375 2HZ LYS 48 2HZ LYS 48 0.057 -6.872 9.328 376 3HZ LYS 48 3HZ LYS 48 0.361 -5.256 9.753 377 H THR 49 H THR 49 1.150 -3.407 5.102 378 HA THR 49 HA THR 49 3.588 -3.553 3.414 379 HB THR 49 HB THR 49 2.063 -6.095 4.000 380 HG1 THR 49 HG1 THR 49 4.301 -5.019 5.364 381 1HG2 THR 49 1HG2 THR 49 3.617 -5.849 2.022 382 2HG2 THR 49 2HG2 THR 49 4.928 -5.603 3.174 383 3HG2 THR 49 3HG2 THR 49 4.057 -7.134 3.147 384 H VAL 50 H VAL 50 3.090 -3.533 1.261 385 HA VAL 50 HA VAL 50 0.409 -2.877 0.476 386 HB VAL 50 HB VAL 50 2.407 -2.045 -0.687 387 1HG1 VAL 50 1HG1 VAL 50 3.583 -4.335 -0.494 388 2HG1 VAL 50 2HG1 VAL 50 2.657 -4.790 -1.925 389 3HG1 VAL 50 3HG1 VAL 50 3.801 -3.450 -2.002 390 1HG2 VAL 50 1HG2 VAL 50 0.116 -2.296 -1.792 391 2HG2 VAL 50 2HG2 VAL 50 1.488 -2.165 -2.891 392 3HG2 VAL 50 3HG2 VAL 50 0.760 -3.741 -2.572 393 H GLU 51 H GLU 51 2.230 -5.914 0.415 394 HA GLU 51 HA GLU 51 0.530 -7.308 -1.401 395 1HB GLU 51 1HB GLU 51 1.452 -9.340 -0.499 396 2HB GLU 51 2HB GLU 51 2.744 -8.141 -0.459 397 1HG GLU 51 1HG GLU 51 2.123 -7.668 1.942 398 2HG GLU 51 2HG GLU 51 1.018 -9.041 1.866 399 H GLY 52 H GLY 52 0.285 -6.649 2.047 400 1HA GLY 52 1HA GLY 52 -1.464 -7.072 3.566 401 2HA GLY 52 2HA GLY 52 -2.125 -8.233 2.414 402 H VAL 53 H VAL 53 -1.381 -4.899 1.514 403 HA VAL 53 HA VAL 53 -3.944 -3.754 2.029 404 HB VAL 53 HB VAL 53 -1.837 -3.102 -0.046 405 1HG1 VAL 53 1HG1 VAL 53 -4.433 -1.711 0.630 406 2HG1 VAL 53 2HG1 VAL 53 -3.079 -0.859 -0.112 407 3HG1 VAL 53 3HG1 VAL 53 -3.844 -2.205 -0.958 408 1HG2 VAL 53 1HG2 VAL 53 -1.429 -2.837 2.491 409 2HG2 VAL 53 2HG2 VAL 53 -1.134 -1.423 1.482 410 3HG2 VAL 53 3HG2 VAL 53 -2.620 -1.541 2.422 411 H LYS 54 H LYS 54 -2.664 -5.218 -0.981 412 HA LYS 54 HA LYS 54 -5.100 -4.928 -2.453 413 1HB LYS 54 1HB LYS 54 -2.800 -6.879 -2.740 414 2HB LYS 54 2HB LYS 54 -4.121 -6.767 -3.898 415 1HG LYS 54 1HG LYS 54 -2.529 -4.319 -3.128 416 2HG LYS 54 2HG LYS 54 -1.947 -5.417 -4.375 417 1HD LYS 54 1HD LYS 54 -4.185 -5.128 -5.538 418 2HD LYS 54 2HD LYS 54 -4.539 -3.845 -4.382 419 1HE LYS 54 1HE LYS 54 -3.586 -2.942 -6.480 420 2HE LYS 54 2HE LYS 54 -2.542 -2.618 -5.097 421 1HZ LYS 54 1HZ LYS 54 -2.105 -5.095 -6.584 422 2HZ LYS 54 2HZ LYS 54 -1.614 -3.644 -7.317 423 3HZ LYS 54 3HZ LYS 54 -0.984 -4.089 -5.804 424 H ALA 55 H ALA 55 -3.849 -7.539 -0.410 425 HA ALA 55 HA ALA 55 -6.011 -9.366 -0.953 426 1HB ALA 55 1HB ALA 55 -4.333 -9.260 1.562 427 2HB ALA 55 2HB ALA 55 -5.140 -10.665 0.865 428 3HB ALA 55 3HB ALA 55 -3.749 -9.952 0.048 429 H LEU 56 H LEU 56 -5.517 -6.788 1.395 430 HA LEU 56 HA LEU 56 -7.647 -7.412 3.157 431 1HB LEU 56 1HB LEU 56 -5.946 -5.742 3.706 432 2HB LEU 56 2HB LEU 56 -6.488 -4.718 2.380 433 HG LEU 56 HG LEU 56 -8.663 -4.417 3.459 434 1HD1 LEU 56 1HD1 LEU 56 -7.542 -6.432 5.407 435 2HD1 LEU 56 2HD1 LEU 56 -8.777 -5.283 5.923 436 3HD1 LEU 56 3HD1 LEU 56 -9.122 -6.416 4.619 437 1HD2 LEU 56 1HD2 LEU 56 -6.602 -3.026 4.087 438 2HD2 LEU 56 2HD2 LEU 56 -7.940 -3.004 5.235 439 3HD2 LEU 56 3HD2 LEU 56 -6.524 -4.003 5.554 440 H ILE 57 H ILE 57 -7.600 -5.277 0.287 441 HA ILE 57 HA ILE 57 -10.416 -4.699 0.355 442 HB ILE 57 HB ILE 57 -8.253 -4.537 -1.721 443 1HG1 ILE 57 1HG1 ILE 57 -8.924 -2.138 -1.716 444 2HG1 ILE 57 2HG1 ILE 57 -10.196 -2.517 -0.562 445 1HG2 ILE 57 1HG2 ILE 57 -11.214 -4.332 -2.242 446 2HG2 ILE 57 2HG2 ILE 57 -10.037 -3.494 -3.255 447 3HG2 ILE 57 3HG2 ILE 57 -10.004 -5.252 -3.134 448 1HD1 ILE 57 1HD1 ILE 57 -7.246 -2.987 -0.056 449 2HD1 ILE 57 2HD1 ILE 57 -8.145 -1.577 0.515 450 3HD1 ILE 57 3HD1 ILE 57 -8.560 -3.189 1.106 451 H ASP 58 H ASP 58 -8.468 -7.291 -1.052 452 HA ASP 58 HA ASP 58 -10.489 -8.469 -2.678 453 1HB ASP 58 1HB ASP 58 -8.103 -9.149 -2.751 454 2HB ASP 58 2HB ASP 58 -8.272 -9.862 -1.149 455 H GLU 59 H GLU 59 -9.737 -8.876 0.776 456 HA GLU 59 HA GLU 59 -11.740 -10.932 1.187 457 1HB GLU 59 1HB GLU 59 -10.340 -9.045 3.102 458 2HB GLU 59 2HB GLU 59 -11.474 -10.290 3.626 459 1HG GLU 59 1HG GLU 59 -10.070 -12.021 2.569 460 2HG GLU 59 2HG GLU 59 -8.930 -10.779 2.046 461 H ILE 60 H ILE 60 -11.655 -7.417 1.497 462 HA ILE 60 HA ILE 60 -14.302 -7.159 2.568 463 HB ILE 60 HB ILE 60 -12.602 -5.198 1.007 464 1HG1 ILE 60 1HG1 ILE 60 -13.097 -5.382 3.990 465 2HG1 ILE 60 2HG1 ILE 60 -11.713 -6.138 3.203 466 1HG2 ILE 60 1HG2 ILE 60 -15.133 -4.842 2.635 467 2HG2 ILE 60 2HG2 ILE 60 -14.085 -3.505 2.158 468 3HG2 ILE 60 3HG2 ILE 60 -14.902 -4.469 0.927 469 1HD1 ILE 60 1HD1 ILE 60 -12.315 -3.211 2.788 470 2HD1 ILE 60 2HD1 ILE 60 -11.399 -3.760 4.192 471 3HD1 ILE 60 3HD1 ILE 60 -10.788 -4.066 2.567 472 H LEU 61 H LEU 61 -13.014 -6.827 -0.748 473 HA LEU 61 HA LEU 61 -15.624 -6.436 -1.919 474 1HB LEU 61 1HB LEU 61 -12.890 -7.079 -3.015 475 2HB LEU 61 2HB LEU 61 -14.300 -7.138 -4.075 476 HG LEU 61 HG LEU 61 -13.507 -4.736 -2.394 477 1HD1 LEU 61 1HD1 LEU 61 -11.959 -5.446 -4.362 478 2HD1 LEU 61 2HD1 LEU 61 -13.289 -4.938 -5.399 479 3HD1 LEU 61 3HD1 LEU 61 -12.523 -3.777 -4.317 480 1HD2 LEU 61 1HD2 LEU 61 -15.816 -5.367 -4.195 481 2HD2 LEU 61 2HD2 LEU 61 -15.739 -4.300 -2.793 482 3HD2 LEU 61 3HD2 LEU 61 -15.124 -3.754 -4.348 483 H ALA 62 H ALA 62 -13.697 -9.260 -1.140 484 HA ALA 62 HA ALA 62 -15.391 -11.075 -2.690 485 1HB ALA 62 1HB ALA 62 -13.355 -11.646 -0.511 486 2HB ALA 62 2HB ALA 62 -13.027 -11.637 -2.243 487 3HB ALA 62 3HB ALA 62 -14.100 -12.856 -1.556 488 H ALA 63 H ALA 63 -15.676 -9.429 0.239 489 HA ALA 63 HA ALA 63 -18.037 -11.058 0.975 490 1HB ALA 63 1HB ALA 63 -17.301 -11.185 3.349 491 2HB ALA 63 2HB ALA 63 -15.741 -10.507 2.883 492 3HB ALA 63 3HB ALA 63 -16.232 -12.089 2.277 493 H LEU 64 H LEU 64 -18.647 -8.819 -0.026 494 HA LEU 64 HA LEU 64 -18.265 -6.443 1.515 495 1HB LEU 64 1HB LEU 64 -20.298 -7.281 -0.553 496 2HB LEU 64 2HB LEU 64 -20.402 -5.705 0.223 497 HG LEU 64 HG LEU 64 -17.794 -6.597 -1.014 498 1HD1 LEU 64 1HD1 LEU 64 -19.528 -6.922 -2.749 499 2HD1 LEU 64 2HD1 LEU 64 -20.088 -5.269 -2.492 500 3HD1 LEU 64 3HD1 LEU 64 -18.474 -5.563 -3.139 501 1HD2 LEU 64 1HD2 LEU 64 -19.142 -3.914 -0.535 502 2HD2 LEU 64 2HD2 LEU 64 -17.728 -4.551 0.303 503 3HD2 LEU 64 3HD2 LEU 64 -17.618 -4.112 -1.398 504 HA PRO 65 HA PRO 65 -20.939 -6.986 5.029 505 1HB PRO 65 1HB PRO 65 -22.416 -4.505 4.454 506 2HB PRO 65 2HB PRO 65 -21.330 -4.869 5.799 507 1HG PRO 65 1HG PRO 65 -20.771 -3.233 3.521 508 2HG PRO 65 2HG PRO 65 -19.651 -3.688 4.809 509 1HD PRO 65 1HD PRO 65 -19.582 -4.558 2.072 510 2HD PRO 65 2HD PRO 65 -18.540 -5.116 3.402 No H/Q in entry = 510 Start of MODEL 6 1 H1 MET 1 H1 MET 1 29.122 -3.959 -10.367 2 H2 MET 1 H2 MET 1 30.207 -4.924 -9.486 3 H3 MET 1 H3 MET 1 30.797 -3.737 -10.544 4 HA MET 1 HA MET 1 30.262 -4.927 -12.433 5 1HB MET 1 1HB MET 1 31.075 -6.823 -10.215 6 2HB MET 1 2HB MET 1 30.997 -7.325 -11.902 7 1HG MET 1 1HG MET 1 33.262 -6.685 -11.556 8 2HG MET 1 2HG MET 1 32.536 -5.324 -12.404 9 1HE MET 1 1HE MET 1 33.106 -6.947 -9.052 10 2HE MET 1 2HE MET 1 34.715 -6.292 -9.385 11 3HE MET 1 3HE MET 1 33.776 -5.683 -8.024 12 H LYS 2 H LYS 2 28.555 -5.761 -13.532 13 HA LYS 2 HA LYS 2 26.104 -6.450 -12.161 14 1HB LYS 2 1HB LYS 2 26.915 -6.901 -15.052 15 2HB LYS 2 2HB LYS 2 25.271 -7.000 -14.427 16 1HG LYS 2 1HG LYS 2 26.988 -4.508 -14.224 17 2HG LYS 2 2HG LYS 2 25.853 -4.799 -15.540 18 1HD LYS 2 1HD LYS 2 24.089 -5.155 -13.661 19 2HD LYS 2 2HD LYS 2 25.260 -4.361 -12.611 20 1HE LYS 2 1HE LYS 2 24.194 -3.184 -15.192 21 2HE LYS 2 2HE LYS 2 23.619 -2.760 -13.579 22 1HZ LYS 2 1HZ LYS 2 26.287 -2.489 -13.338 23 2HZ LYS 2 2HZ LYS 2 26.035 -1.973 -14.938 24 3HZ LYS 2 3HZ LYS 2 25.212 -1.218 -13.659 25 H ALA 3 H ALA 3 25.223 -8.496 -11.774 26 HA ALA 3 HA ALA 3 26.362 -10.915 -12.881 27 1HB ALA 3 1HB ALA 3 28.152 -10.388 -11.280 28 2HB ALA 3 2HB ALA 3 27.268 -11.823 -10.758 29 3HB ALA 3 3HB ALA 3 26.968 -10.270 -9.978 30 H ILE 4 H ILE 4 23.809 -9.349 -11.951 31 HA ILE 4 HA ILE 4 22.457 -11.664 -10.591 32 HB ILE 4 HB ILE 4 20.813 -10.023 -9.781 33 1HG1 ILE 4 1HG1 ILE 4 21.883 -7.503 -10.126 34 2HG1 ILE 4 2HG1 ILE 4 22.299 -8.237 -11.672 35 1HG2 ILE 4 1HG2 ILE 4 22.907 -10.537 -8.506 36 2HG2 ILE 4 2HG2 ILE 4 23.653 -9.112 -9.230 37 3HG2 ILE 4 3HG2 ILE 4 22.260 -8.933 -8.163 38 1HD1 ILE 4 1HD1 ILE 4 19.768 -9.021 -11.630 39 2HD1 ILE 4 2HD1 ILE 4 19.594 -7.690 -10.490 40 3HD1 ILE 4 3HD1 ILE 4 20.181 -7.380 -12.123 41 H PHE 5 H PHE 5 20.831 -12.656 -11.694 42 HA PHE 5 HA PHE 5 20.115 -11.573 -14.382 43 1HB PHE 5 1HB PHE 5 19.831 -14.319 -13.136 44 2HB PHE 5 2HB PHE 5 19.177 -13.895 -14.718 45 HD1 PHE 5 HD1 PHE 5 22.247 -14.459 -12.762 46 HD2 PHE 5 HD2 PHE 5 20.650 -13.402 -16.608 47 HE1 PHE 5 HE1 PHE 5 24.474 -14.831 -13.790 48 HE2 PHE 5 HE2 PHE 5 22.875 -13.775 -17.635 49 HZ PHE 5 HZ PHE 5 24.788 -14.489 -16.226 50 H VAL 6 H VAL 6 18.928 -11.384 -11.314 51 HA VAL 6 HA VAL 6 16.056 -11.515 -12.188 52 HB VAL 6 HB VAL 6 15.513 -11.686 -9.808 53 1HG1 VAL 6 1HG1 VAL 6 17.718 -13.577 -10.682 54 2HG1 VAL 6 2HG1 VAL 6 16.606 -13.878 -9.345 55 3HG1 VAL 6 3HG1 VAL 6 15.992 -13.768 -10.994 56 1HG2 VAL 6 1HG2 VAL 6 18.496 -11.292 -9.497 57 2HG2 VAL 6 2HG2 VAL 6 17.192 -10.372 -8.749 58 3HG2 VAL 6 3HG2 VAL 6 17.518 -12.024 -8.224 59 H LEU 7 H LEU 7 14.942 -9.621 -12.296 60 HA LEU 7 HA LEU 7 15.764 -7.300 -10.687 61 1HB LEU 7 1HB LEU 7 17.187 -7.276 -12.792 62 2HB LEU 7 2HB LEU 7 15.702 -7.082 -13.715 63 HG LEU 7 HG LEU 7 16.196 -5.165 -11.440 64 1HD1 LEU 7 1HD1 LEU 7 18.365 -5.257 -12.640 65 2HD1 LEU 7 2HD1 LEU 7 17.529 -4.908 -14.153 66 3HD1 LEU 7 3HD1 LEU 7 17.555 -3.706 -12.862 67 1HD2 LEU 7 1HD2 LEU 7 14.942 -4.970 -14.200 68 2HD2 LEU 7 2HD2 LEU 7 14.119 -4.893 -12.642 69 3HD2 LEU 7 3HD2 LEU 7 15.181 -3.582 -13.142 70 H ASN 8 H ASN 8 13.708 -8.422 -13.399 71 HA ASN 8 HA ASN 8 11.622 -6.512 -12.987 72 1HB ASN 8 1HB ASN 8 10.210 -8.060 -14.281 73 2HB ASN 8 2HB ASN 8 11.802 -7.912 -15.026 74 2HD2 ASN 8 2HD2 ASN 8 13.184 -9.778 -15.034 75 1HD2 ASN 8 1HD2 ASN 8 12.668 -11.300 -14.486 76 H ALA 9 H ALA 9 12.142 -9.769 -11.638 77 HA ALA 9 HA ALA 9 9.659 -9.791 -10.151 78 1HB ALA 9 1HB ALA 9 10.767 -11.894 -10.637 79 2HB ALA 9 2HB ALA 9 10.755 -11.670 -8.888 80 3HB ALA 9 3HB ALA 9 12.229 -11.363 -9.806 81 H GLN 10 H GLN 10 13.043 -9.458 -9.029 82 HA GLN 10 HA GLN 10 12.053 -7.685 -6.812 83 1HB GLN 10 1HB GLN 10 14.274 -9.754 -6.799 84 2HB GLN 10 2HB GLN 10 14.008 -8.586 -5.503 85 1HG GLN 10 1HG GLN 10 11.883 -10.515 -6.475 86 2HG GLN 10 2HG GLN 10 12.943 -10.845 -5.105 87 2HE2 GLN 10 2HE2 GLN 10 13.051 -8.428 -3.765 88 1HE2 GLN 10 1HE2 GLN 10 11.498 -7.950 -3.273 89 H HIS 11 H HIS 11 12.867 -5.645 -7.031 90 HA HIS 11 HA HIS 11 14.803 -4.975 -9.035 91 1HB HIS 11 1HB HIS 11 13.861 -3.418 -6.608 92 2HB HIS 11 2HB HIS 11 14.840 -2.741 -7.909 93 HD1 HIS 11 HD1 HIS 11 11.536 -2.587 -6.951 94 HD2 HIS 11 HD2 HIS 11 13.296 -3.734 -10.550 95 HE1 HIS 11 HE1 HIS 11 9.750 -2.347 -8.729 96 H ASP 12 H ASP 12 15.094 -5.138 -5.473 97 HA ASP 12 HA ASP 12 17.773 -6.188 -5.584 98 1HB ASP 12 1HB ASP 12 18.139 -3.771 -6.291 99 2HB ASP 12 2HB ASP 12 17.583 -3.300 -4.686 100 H GLU 13 H GLU 13 18.787 -5.873 -3.220 101 HA GLU 13 HA GLU 13 16.948 -7.022 -1.366 102 1HB GLU 13 1HB GLU 13 19.590 -5.592 -0.932 103 2HB GLU 13 2HB GLU 13 18.709 -6.413 0.355 104 1HG GLU 13 1HG GLU 13 20.275 -8.018 -0.441 105 2HG GLU 13 2HG GLU 13 18.736 -8.488 -1.159 106 H ALA 14 H ALA 14 18.025 -3.678 -1.866 107 HA ALA 14 HA ALA 14 16.401 -2.667 0.349 108 1HB ALA 14 1HB ALA 14 18.569 -1.621 -0.602 109 2HB ALA 14 2HB ALA 14 17.238 -0.525 -0.233 110 3HB ALA 14 3HB ALA 14 17.548 -1.007 -1.903 111 H VAL 15 H VAL 15 14.581 -1.148 -0.032 112 HA VAL 15 HA VAL 15 13.157 -1.615 -2.636 113 HB VAL 15 HB VAL 15 11.049 -1.779 -1.378 114 1HG1 VAL 15 1HG1 VAL 15 12.356 -3.834 -1.879 115 2HG1 VAL 15 2HG1 VAL 15 13.161 -3.681 -0.317 116 3HG1 VAL 15 3HG1 VAL 15 11.426 -3.988 -0.388 117 1HG2 VAL 15 1HG2 VAL 15 12.894 -1.504 1.012 118 2HG2 VAL 15 2HG2 VAL 15 11.566 -0.434 0.560 119 3HG2 VAL 15 3HG2 VAL 15 11.227 -2.068 1.131 120 H ASP 16 H ASP 16 11.564 0.071 -3.131 121 HA ASP 16 HA ASP 16 12.539 2.729 -2.323 122 1HB ASP 16 1HB ASP 16 10.985 3.564 -4.026 123 2HB ASP 16 2HB ASP 16 11.934 2.234 -4.691 124 H ALA 17 H ALA 17 10.538 4.378 -2.014 125 HA ALA 17 HA ALA 17 8.625 3.163 -0.039 126 1HB ALA 17 1HB ALA 17 8.893 5.172 1.350 127 2HB ALA 17 2HB ALA 17 10.072 5.818 0.208 128 3HB ALA 17 3HB ALA 17 10.446 4.364 1.133 129 H ASN 18 H ASN 18 8.365 4.008 -2.945 130 HA ASN 18 HA ASN 18 6.315 6.181 -2.620 131 1HB ASN 18 1HB ASN 18 8.269 6.556 -4.196 132 2HB ASN 18 2HB ASN 18 7.608 5.261 -5.195 133 2HD2 ASN 18 2HD2 ASN 18 6.427 6.149 -6.891 134 1HD2 ASN 18 1HD2 ASN 18 5.412 7.506 -6.771 135 H SER 19 H SER 19 6.893 2.991 -4.098 136 HA SER 19 HA SER 19 4.362 2.736 -5.372 137 1HB SER 19 1HB SER 19 4.823 0.368 -5.476 138 2HB SER 19 2HB SER 19 6.341 1.227 -5.719 139 HG SER 19 HG SER 19 6.930 0.754 -3.648 140 H LEU 20 H LEU 20 5.352 1.941 -2.051 141 HA LEU 20 HA LEU 20 2.975 0.596 -1.274 142 1HB LEU 20 1HB LEU 20 4.915 0.529 0.161 143 2HB LEU 20 2HB LEU 20 4.922 2.284 0.318 144 HG LEU 20 HG LEU 20 2.855 2.247 1.583 145 1HD1 LEU 20 1HD1 LEU 20 2.788 -0.636 0.700 146 2HD1 LEU 20 2HD1 LEU 20 1.957 -0.150 2.177 147 3HD1 LEU 20 3HD1 LEU 20 1.509 0.572 0.635 148 1HD2 LEU 20 1HD2 LEU 20 4.825 0.123 2.481 149 2HD2 LEU 20 2HD2 LEU 20 4.845 1.836 2.902 150 3HD2 LEU 20 3HD2 LEU 20 3.561 0.793 3.513 151 H ALA 21 H ALA 21 3.809 4.066 -0.950 152 HA ALA 21 HA ALA 21 1.344 4.848 0.199 153 1HB ALA 21 1HB ALA 21 3.243 6.390 -1.590 154 2HB ALA 21 2HB ALA 21 3.241 6.366 0.174 155 3HB ALA 21 3HB ALA 21 1.908 7.122 -0.700 156 H GLU 22 H GLU 22 2.332 4.698 -3.232 157 HA GLU 22 HA GLU 22 -0.105 5.707 -4.309 158 1HB GLU 22 1HB GLU 22 2.021 5.354 -5.602 159 2HB GLU 22 2HB GLU 22 1.701 3.620 -5.559 160 1HG GLU 22 1HG GLU 22 -0.444 3.977 -6.710 161 2HG GLU 22 2HG GLU 22 -0.138 5.712 -6.754 162 H ALA 23 H ALA 23 0.860 2.394 -3.423 163 HA ALA 23 HA ALA 23 -1.429 1.073 -4.477 164 1HB ALA 23 1HB ALA 23 -0.107 0.207 -1.906 165 2HB ALA 23 2HB ALA 23 0.736 0.066 -3.448 166 3HB ALA 23 3HB ALA 23 -0.782 -0.793 -3.193 167 H LYS 24 H LYS 24 -0.877 2.545 -1.265 168 HA LYS 24 HA LYS 24 -3.503 1.847 -0.279 169 1HB LYS 24 1HB LYS 24 -1.511 3.960 0.581 170 2HB LYS 24 2HB LYS 24 -3.025 3.654 1.433 171 1HG LYS 24 1HG LYS 24 -2.334 1.268 1.712 172 2HG LYS 24 2HG LYS 24 -0.780 1.664 0.981 173 1HD LYS 24 1HD LYS 24 -1.885 3.033 3.451 174 2HD LYS 24 2HD LYS 24 -0.754 1.686 3.500 175 1HE LYS 24 1HE LYS 24 0.723 3.157 1.938 176 2HE LYS 24 2HE LYS 24 -0.298 4.485 2.486 177 1HZ LYS 24 1HZ LYS 24 0.888 2.657 4.456 178 2HZ LYS 24 2HZ LYS 24 1.839 3.890 3.785 179 3HZ LYS 24 3HZ LYS 24 0.422 4.280 4.637 180 H VAL 25 H VAL 25 -2.146 4.711 -1.897 181 HA VAL 25 HA VAL 25 -4.476 6.346 -1.683 182 HB VAL 25 HB VAL 25 -2.290 6.260 -3.773 183 1HG1 VAL 25 1HG1 VAL 25 -4.600 8.177 -3.410 184 2HG1 VAL 25 2HG1 VAL 25 -3.139 8.608 -4.297 185 3HG1 VAL 25 3HG1 VAL 25 -4.154 7.284 -4.864 186 1HG2 VAL 25 1HG2 VAL 25 -1.773 6.898 -1.352 187 2HG2 VAL 25 2HG2 VAL 25 -1.345 8.100 -2.569 188 3HG2 VAL 25 3HG2 VAL 25 -2.806 8.305 -1.603 189 H LEU 26 H LEU 26 -3.392 4.163 -4.297 190 HA LEU 26 HA LEU 26 -5.704 4.499 -5.941 191 1HB LEU 26 1HB LEU 26 -3.751 2.196 -5.666 192 2HB LEU 26 2HB LEU 26 -5.006 2.253 -6.901 193 HG LEU 26 HG LEU 26 -2.870 4.375 -6.522 194 1HD1 LEU 26 1HD1 LEU 26 -1.902 2.226 -7.241 195 2HD1 LEU 26 2HD1 LEU 26 -3.070 2.134 -8.559 196 3HD1 LEU 26 3HD1 LEU 26 -1.846 3.404 -8.551 197 1HD2 LEU 26 1HD2 LEU 26 -5.186 4.021 -8.409 198 2HD2 LEU 26 2HD2 LEU 26 -4.555 5.494 -7.674 199 3HD2 LEU 26 3HD2 LEU 26 -3.712 4.759 -9.032 200 H ALA 27 H ALA 27 -4.982 2.212 -3.323 201 HA ALA 27 HA ALA 27 -7.514 0.803 -3.639 202 1HB ALA 27 1HB ALA 27 -5.537 -0.321 -2.686 203 2HB ALA 27 2HB ALA 27 -5.543 0.810 -1.334 204 3HB ALA 27 3HB ALA 27 -6.875 -0.326 -1.539 205 H ASN 28 H ASN 28 -6.272 3.348 -1.492 206 HA ASN 28 HA ASN 28 -8.472 3.448 0.300 207 1HB ASN 28 1HB ASN 28 -6.357 4.640 0.702 208 2HB ASN 28 2HB ASN 28 -6.703 5.721 -0.648 209 2HD2 ASN 28 2HD2 ASN 28 -6.445 6.360 2.300 210 1HD2 ASN 28 1HD2 ASN 28 -7.904 7.120 2.717 211 H ARG 29 H ARG 29 -7.956 5.262 -2.751 212 HA ARG 29 HA ARG 29 -10.486 6.640 -2.562 213 1HB ARG 29 1HB ARG 29 -10.086 7.339 -4.845 214 2HB ARG 29 2HB ARG 29 -8.556 7.404 -3.974 215 1HG ARG 29 1HG ARG 29 -8.059 5.092 -4.866 216 2HG ARG 29 2HG ARG 29 -9.482 5.254 -5.896 217 1HD ARG 29 1HD ARG 29 -8.473 7.405 -6.778 218 2HD ARG 29 2HD ARG 29 -6.996 6.983 -5.913 219 HE ARG 29 HE ARG 29 -7.551 4.725 -7.425 220 1HH1 ARG 29 1HH1 ARG 29 -6.785 4.444 -9.536 221 2HH1 ARG 29 2HH1 ARG 29 -6.362 5.833 -10.480 222 1HH2 ARG 29 1HH2 ARG 29 -7.169 8.104 -7.988 223 2HH2 ARG 29 2HH2 ARG 29 -6.578 7.904 -9.604 224 H GLU 30 H GLU 30 -9.523 3.505 -3.735 225 HA GLU 30 HA GLU 30 -11.731 2.950 -5.444 226 1HB GLU 30 1HB GLU 30 -9.739 1.486 -5.276 227 2HB GLU 30 2HB GLU 30 -10.214 1.036 -3.641 228 1HG GLU 30 1HG GLU 30 -12.315 0.082 -4.499 229 2HG GLU 30 2HG GLU 30 -11.855 0.537 -6.140 230 H LEU 31 H LEU 31 -11.371 2.638 -1.922 231 HA LEU 31 HA LEU 31 -13.930 1.402 -1.460 232 1HB LEU 31 1HB LEU 31 -12.576 3.268 0.501 233 2HB LEU 31 2HB LEU 31 -13.546 1.832 0.838 234 HG LEU 31 HG LEU 31 -10.777 1.938 -0.365 235 1HD1 LEU 31 1HD1 LEU 31 -11.070 2.145 2.139 236 2HD1 LEU 31 2HD1 LEU 31 -11.806 0.543 2.124 237 3HD1 LEU 31 3HD1 LEU 31 -10.126 0.745 1.634 238 1HD2 LEU 31 1HD2 LEU 31 -12.783 -0.318 -0.151 239 2HD2 LEU 31 2HD2 LEU 31 -11.842 0.182 -1.557 240 3HD2 LEU 31 3HD2 LEU 31 -11.050 -0.640 -0.214 241 H ASP 32 H ASP 32 -12.846 4.680 -1.896 242 HA ASP 32 HA ASP 32 -15.086 6.077 -0.870 243 1HB ASP 32 1HB ASP 32 -12.827 6.984 -1.683 244 2HB ASP 32 2HB ASP 32 -13.511 6.912 -3.307 245 H LYS 33 H LYS 33 -14.530 4.565 -4.041 246 HA LYS 33 HA LYS 33 -16.830 5.607 -5.363 247 1HB LYS 33 1HB LYS 33 -15.559 2.868 -5.673 248 2HB LYS 33 2HB LYS 33 -16.661 3.624 -6.823 249 1HG LYS 33 1HG LYS 33 -15.056 5.467 -7.155 250 2HG LYS 33 2HG LYS 33 -13.950 4.708 -6.008 251 1HD LYS 33 1HD LYS 33 -14.045 2.632 -7.497 252 2HD LYS 33 2HD LYS 33 -14.843 3.647 -8.697 253 1HE LYS 33 1HE LYS 33 -12.829 5.256 -8.357 254 2HE LYS 33 2HE LYS 33 -12.043 3.861 -7.612 255 1HZ LYS 33 1HZ LYS 33 -13.182 2.912 -9.925 256 2HZ LYS 33 2HZ LYS 33 -12.504 4.407 -10.363 257 3HZ LYS 33 3HZ LYS 33 -11.531 3.212 -9.654 258 H TYR 34 H TYR 34 -16.414 2.752 -3.281 259 HA TYR 34 HA TYR 34 -19.230 1.992 -3.550 260 1HB TYR 34 1HB TYR 34 -17.072 0.986 -1.670 261 2HB TYR 34 2HB TYR 34 -18.652 0.237 -1.908 262 HD1 TYR 34 HD1 TYR 34 -19.242 -0.789 -4.095 263 HD2 TYR 34 HD2 TYR 34 -15.320 0.772 -3.311 264 HE1 TYR 34 HE1 TYR 34 -18.364 -1.995 -6.077 265 HE2 TYR 34 HE2 TYR 34 -14.443 -0.423 -5.298 266 HH TYR 34 HH TYR 34 -15.899 -1.363 -7.669 267 H GLY 35 H GLY 35 -17.478 4.217 -1.660 268 1HA GLY 35 1HA GLY 35 -19.845 5.030 -0.226 269 2HA GLY 35 2HA GLY 35 -18.221 5.667 0.033 270 H VAL 36 H VAL 36 -17.123 2.942 0.571 271 HA VAL 36 HA VAL 36 -18.517 1.696 2.719 272 HB VAL 36 HB VAL 36 -15.503 1.774 2.693 273 1HG1 VAL 36 1HG1 VAL 36 -17.009 0.394 4.290 274 2HG1 VAL 36 2HG1 VAL 36 -17.337 -0.618 2.883 275 3HG1 VAL 36 3HG1 VAL 36 -15.686 -0.444 3.480 276 1HG2 VAL 36 1HG2 VAL 36 -17.310 0.533 0.609 277 2HG2 VAL 36 2HG2 VAL 36 -15.925 1.594 0.350 278 3HG2 VAL 36 3HG2 VAL 36 -15.676 -0.059 0.907 279 H SER 37 H SER 37 -17.854 1.787 5.061 280 HA SER 37 HA SER 37 -17.996 4.460 6.050 281 1HB SER 37 1HB SER 37 -17.711 3.477 8.249 282 2HB SER 37 2HB SER 37 -18.735 2.411 7.294 283 HG SER 37 HG SER 37 -16.078 1.889 6.985 284 H ASP 38 H ASP 38 -16.358 5.531 7.426 285 HA ASP 38 HA ASP 38 -13.819 5.719 6.095 286 1HB ASP 38 1HB ASP 38 -14.975 7.561 7.398 287 2HB ASP 38 2HB ASP 38 -14.480 6.726 8.871 288 H TYR 39 H TYR 39 -14.989 3.597 8.498 289 HA TYR 39 HA TYR 39 -12.642 3.098 10.020 290 1HB TYR 39 1HB TYR 39 -14.777 2.184 10.708 291 2HB TYR 39 2HB TYR 39 -14.914 1.260 9.214 292 HD1 TYR 39 HD1 TYR 39 -13.565 -0.732 8.829 293 HD2 TYR 39 HD2 TYR 39 -13.231 1.497 12.486 294 HE1 TYR 39 HE1 TYR 39 -12.347 -2.622 9.869 295 HE2 TYR 39 HE2 TYR 39 -12.011 -0.396 13.527 296 HH TYR 39 HH TYR 39 -11.884 -3.496 12.113 297 H TYR 40 H TYR 40 -13.796 1.452 7.042 298 HA TYR 40 HA TYR 40 -11.532 -0.289 6.821 299 1HB TYR 40 1HB TYR 40 -13.345 0.816 4.654 300 2HB TYR 40 2HB TYR 40 -12.214 -0.518 4.439 301 HD1 TYR 40 HD1 TYR 40 -15.372 0.558 5.962 302 HD2 TYR 40 HD2 TYR 40 -12.607 -2.696 5.507 303 HE1 TYR 40 HE1 TYR 40 -17.083 -1.012 6.816 304 HE2 TYR 40 HE2 TYR 40 -14.319 -4.271 6.368 305 HH TYR 40 HH TYR 40 -17.563 -3.506 6.604 306 H LYS 41 H LYS 41 -12.119 2.979 5.500 307 HA LYS 41 HA LYS 41 -9.799 3.110 3.855 308 1HB LYS 41 1HB LYS 41 -11.342 5.259 5.331 309 2HB LYS 41 2HB LYS 41 -10.040 5.603 4.193 310 1HG LYS 41 1HG LYS 41 -11.244 4.562 2.378 311 2HG LYS 41 2HG LYS 41 -12.461 3.925 3.481 312 1HD LYS 41 1HD LYS 41 -13.518 5.812 2.546 313 2HD LYS 41 2HD LYS 41 -12.914 6.416 4.083 314 1HE LYS 41 1HE LYS 41 -12.382 8.016 2.329 315 2HE LYS 41 2HE LYS 41 -10.892 7.282 2.912 316 1HZ LYS 41 1HZ LYS 41 -11.905 5.674 0.866 317 2HZ LYS 41 2HZ LYS 41 -11.934 7.278 0.310 318 3HZ LYS 41 3HZ LYS 41 -10.480 6.600 0.860 319 H ASN 42 H ASN 42 -10.352 4.015 7.222 320 HA ASN 42 HA ASN 42 -7.751 4.991 7.773 321 1HB ASN 42 1HB ASN 42 -9.654 5.304 9.314 322 2HB ASN 42 2HB ASN 42 -9.668 3.570 9.644 323 2HD2 ASN 42 2HD2 ASN 42 -9.059 3.739 11.883 324 1HD2 ASN 42 1HD2 ASN 42 -7.532 4.297 12.371 325 H LEU 43 H LEU 43 -9.081 1.715 7.899 326 HA LEU 43 HA LEU 43 -6.838 0.451 9.086 327 1HB LEU 43 1HB LEU 43 -9.024 -0.657 8.783 328 2HB LEU 43 2HB LEU 43 -8.790 -0.648 7.037 329 HG LEU 43 HG LEU 43 -6.798 -2.076 7.291 330 1HD1 LEU 43 1HD1 LEU 43 -7.422 -1.707 10.217 331 2HD1 LEU 43 2HD1 LEU 43 -6.614 -3.176 9.670 332 3HD1 LEU 43 3HD1 LEU 43 -5.864 -1.608 9.396 333 1HD2 LEU 43 1HD2 LEU 43 -9.178 -2.993 7.109 334 2HD2 LEU 43 2HD2 LEU 43 -7.979 -4.103 7.772 335 3HD2 LEU 43 3HD2 LEU 43 -9.100 -3.272 8.848 336 H ILE 44 H ILE 44 -7.536 1.235 5.677 337 HA ILE 44 HA ILE 44 -5.289 -0.110 4.526 338 HB ILE 44 HB ILE 44 -6.567 2.492 3.614 339 1HG1 ILE 44 1HG1 ILE 44 -8.319 0.857 3.740 340 2HG1 ILE 44 2HG1 ILE 44 -7.845 0.958 2.052 341 1HG2 ILE 44 1HG2 ILE 44 -4.854 0.429 2.208 342 2HG2 ILE 44 2HG2 ILE 44 -5.770 1.674 1.359 343 3HG2 ILE 44 3HG2 ILE 44 -4.483 2.133 2.473 344 1HD1 ILE 44 1HD1 ILE 44 -6.250 -1.017 2.604 345 2HD1 ILE 44 2HD1 ILE 44 -7.254 -1.218 4.042 346 3HD1 ILE 44 3HD1 ILE 44 -7.973 -1.356 2.443 347 H ASN 45 H ASN 45 -5.621 3.136 5.912 348 HA ASN 45 HA ASN 45 -3.058 4.127 5.216 349 1HB ASN 45 1HB ASN 45 -4.905 4.674 7.549 350 2HB ASN 45 2HB ASN 45 -3.351 5.495 7.394 351 2HD2 ASN 45 2HD2 ASN 45 -3.121 6.126 4.754 352 1HD2 ASN 45 1HD2 ASN 45 -4.436 7.055 4.217 353 H ASN 46 H ASN 46 -4.078 1.948 7.786 354 HA ASN 46 HA ASN 46 -1.312 1.856 8.885 355 1HB ASN 46 1HB ASN 46 -3.362 2.016 10.387 356 2HB ASN 46 2HB ASN 46 -3.765 0.378 9.872 357 2HD2 ASN 46 2HD2 ASN 46 -3.412 -0.219 12.219 358 1HD2 ASN 46 1HD2 ASN 46 -1.826 -0.482 12.766 359 H ALA 47 H ALA 47 -1.414 0.843 6.333 360 HA ALA 47 HA ALA 47 -2.014 -1.978 6.220 361 1HB ALA 47 1HB ALA 47 -1.839 -0.617 4.178 362 2HB ALA 47 2HB ALA 47 -0.134 -0.315 4.516 363 3HB ALA 47 3HB ALA 47 -0.681 -1.946 4.129 364 H LYS 48 H LYS 48 -0.918 -3.526 7.306 365 HA LYS 48 HA LYS 48 1.641 -3.041 8.550 366 1HB LYS 48 1HB LYS 48 -0.020 -4.627 9.477 367 2HB LYS 48 2HB LYS 48 0.214 -5.675 8.079 368 1HG LYS 48 1HG LYS 48 2.575 -5.971 8.651 369 2HG LYS 48 2HG LYS 48 2.414 -4.856 10.003 370 1HD LYS 48 1HD LYS 48 0.575 -7.237 9.902 371 2HD LYS 48 2HD LYS 48 2.253 -7.504 10.364 372 1HE LYS 48 1HE LYS 48 0.962 -7.126 12.378 373 2HE LYS 48 2HE LYS 48 1.994 -5.723 12.120 374 1HZ LYS 48 1HZ LYS 48 -0.749 -5.775 11.047 375 2HZ LYS 48 2HZ LYS 48 -0.477 -5.374 12.671 376 3HZ LYS 48 3HZ LYS 48 0.222 -4.438 11.438 377 H THR 49 H THR 49 0.653 -4.789 5.613 378 HA THR 49 HA THR 49 3.511 -4.721 4.742 379 HB THR 49 HB THR 49 1.800 -7.170 4.289 380 HG1 THR 49 HG1 THR 49 3.633 -7.502 6.209 381 1HG2 THR 49 1HG2 THR 49 3.920 -6.716 2.982 382 2HG2 THR 49 2HG2 THR 49 4.796 -6.828 4.509 383 3HG2 THR 49 3HG2 THR 49 3.920 -8.229 3.890 384 H VAL 50 H VAL 50 3.779 -4.701 2.453 385 HA VAL 50 HA VAL 50 1.826 -3.258 0.973 386 HB VAL 50 HB VAL 50 3.917 -5.062 -0.249 387 1HG1 VAL 50 1HG1 VAL 50 2.345 -3.940 -1.784 388 2HG1 VAL 50 2HG1 VAL 50 2.762 -2.382 -1.071 389 3HG1 VAL 50 3HG1 VAL 50 3.976 -3.295 -1.966 390 1HG2 VAL 50 1HG2 VAL 50 4.229 -2.395 1.138 391 2HG2 VAL 50 2HG2 VAL 50 5.121 -3.884 1.436 392 3HG2 VAL 50 3HG2 VAL 50 5.392 -2.975 -0.051 393 H GLU 51 H GLU 51 2.695 -6.720 0.823 394 HA GLU 51 HA GLU 51 0.788 -7.440 -1.158 395 1HB GLU 51 1HB GLU 51 1.062 -9.741 -0.306 396 2HB GLU 51 2HB GLU 51 2.623 -8.933 -0.436 397 1HG GLU 51 1HG GLU 51 2.530 -8.389 1.984 398 2HG GLU 51 2HG GLU 51 0.994 -9.249 2.105 399 H GLY 52 H GLY 52 0.518 -6.953 2.300 400 1HA GLY 52 1HA GLY 52 -1.353 -6.945 3.709 401 2HA GLY 52 2HA GLY 52 -2.077 -8.140 2.630 402 H VAL 53 H VAL 53 -0.985 -5.082 1.326 403 HA VAL 53 HA VAL 53 -3.385 -3.569 1.698 404 HB VAL 53 HB VAL 53 -1.364 -3.424 -0.561 405 1HG1 VAL 53 1HG1 VAL 53 -3.685 -1.687 0.251 406 2HG1 VAL 53 2HG1 VAL 53 -2.250 -0.929 -0.438 407 3HG1 VAL 53 3HG1 VAL 53 -3.139 -2.136 -1.363 408 1HG2 VAL 53 1HG2 VAL 53 -0.508 -3.160 1.818 409 2HG2 VAL 53 2HG2 VAL 53 -0.233 -1.771 0.770 410 3HG2 VAL 53 3HG2 VAL 53 -1.541 -1.739 1.953 411 H LYS 54 H LYS 54 -2.337 -5.519 -1.123 412 HA LYS 54 HA LYS 54 -4.848 -5.159 -2.515 413 1HB LYS 54 1HB LYS 54 -2.570 -7.117 -2.874 414 2HB LYS 54 2HB LYS 54 -3.970 -7.053 -3.946 415 1HG LYS 54 1HG LYS 54 -3.492 -4.681 -4.442 416 2HG LYS 54 2HG LYS 54 -2.089 -4.743 -3.375 417 1HD LYS 54 1HD LYS 54 -1.083 -6.496 -4.780 418 2HD LYS 54 2HD LYS 54 -2.481 -6.446 -5.853 419 1HE LYS 54 1HE LYS 54 -2.006 -4.093 -6.385 420 2HE LYS 54 2HE LYS 54 -0.623 -4.116 -5.289 421 1HZ LYS 54 1HZ LYS 54 0.182 -6.058 -6.685 422 2HZ LYS 54 2HZ LYS 54 -0.974 -5.575 -7.834 423 3HZ LYS 54 3HZ LYS 54 0.272 -4.514 -7.389 424 H ALA 55 H ALA 55 -3.546 -7.756 -0.456 425 HA ALA 55 HA ALA 55 -5.713 -9.592 -0.885 426 1HB ALA 55 1HB ALA 55 -4.904 -10.649 1.249 427 2HB ALA 55 2HB ALA 55 -3.786 -9.299 1.439 428 3HB ALA 55 3HB ALA 55 -3.626 -10.389 0.062 429 H LEU 56 H LEU 56 -5.253 -6.954 1.404 430 HA LEU 56 HA LEU 56 -7.460 -7.596 3.102 431 1HB LEU 56 1HB LEU 56 -5.661 -6.067 3.778 432 2HB LEU 56 2HB LEU 56 -6.141 -4.927 2.524 433 HG LEU 56 HG LEU 56 -8.325 -4.622 3.614 434 1HD1 LEU 56 1HD1 LEU 56 -7.249 -6.767 5.449 435 2HD1 LEU 56 2HD1 LEU 56 -8.440 -5.606 6.037 436 3HD1 LEU 56 3HD1 LEU 56 -8.837 -6.662 4.687 437 1HD2 LEU 56 1HD2 LEU 56 -6.257 -3.303 4.279 438 2HD2 LEU 56 2HD2 LEU 56 -7.530 -3.356 5.496 439 3HD2 LEU 56 3HD2 LEU 56 -6.107 -4.381 5.666 440 H ILE 57 H ILE 57 -7.190 -5.552 0.191 441 HA ILE 57 HA ILE 57 -9.937 -4.651 0.267 442 HB ILE 57 HB ILE 57 -8.187 -5.028 -2.183 443 1HG1 ILE 57 1HG1 ILE 57 -7.202 -3.609 -0.244 444 2HG1 ILE 57 2HG1 ILE 57 -7.245 -2.883 -1.845 445 1HG2 ILE 57 1HG2 ILE 57 -10.683 -3.439 -1.603 446 2HG2 ILE 57 2HG2 ILE 57 -9.606 -2.997 -2.928 447 3HG2 ILE 57 3HG2 ILE 57 -10.379 -4.579 -2.911 448 1HD1 ILE 57 1HD1 ILE 57 -9.494 -2.451 0.130 449 2HD1 ILE 57 2HD1 ILE 57 -8.057 -1.441 0.132 450 3HD1 ILE 57 3HD1 ILE 57 -9.088 -1.498 -1.293 451 H ASP 58 H ASP 58 -8.243 -7.421 -1.087 452 HA ASP 58 HA ASP 58 -10.375 -8.486 -2.652 453 1HB ASP 58 1HB ASP 58 -8.055 -9.342 -2.750 454 2HB ASP 58 2HB ASP 58 -8.225 -9.976 -1.112 455 H GLU 59 H GLU 59 -9.586 -8.860 0.795 456 HA GLU 59 HA GLU 59 -11.704 -10.753 1.317 457 1HB GLU 59 1HB GLU 59 -10.133 -8.897 3.129 458 2HB GLU 59 2HB GLU 59 -11.323 -10.055 3.724 459 1HG GLU 59 1HG GLU 59 -10.059 -11.899 2.678 460 2HG GLU 59 2HG GLU 59 -8.865 -10.744 2.084 461 H ILE 60 H ILE 60 -11.386 -7.232 1.495 462 HA ILE 60 HA ILE 60 -13.994 -6.784 2.602 463 HB ILE 60 HB ILE 60 -12.213 -4.974 0.946 464 1HG1 ILE 60 1HG1 ILE 60 -12.710 -4.972 3.935 465 2HG1 ILE 60 2HG1 ILE 60 -11.378 -5.860 3.196 466 1HG2 ILE 60 1HG2 ILE 60 -14.736 -4.443 2.537 467 2HG2 ILE 60 2HG2 ILE 60 -13.618 -3.168 2.051 468 3HG2 ILE 60 3HG2 ILE 60 -14.458 -4.119 0.826 469 1HD1 ILE 60 1HD1 ILE 60 -11.793 -2.928 2.611 470 2HD1 ILE 60 2HD1 ILE 60 -10.908 -3.453 4.042 471 3HD1 ILE 60 3HD1 ILE 60 -10.325 -3.890 2.439 472 H LEU 61 H LEU 61 -12.745 -6.939 -0.724 473 HA LEU 61 HA LEU 61 -15.271 -6.255 -1.962 474 1HB LEU 61 1HB LEU 61 -12.813 -7.681 -3.022 475 2HB LEU 61 2HB LEU 61 -14.212 -7.297 -4.023 476 HG LEU 61 HG LEU 61 -12.557 -5.271 -2.489 477 1HD1 LEU 61 1HD1 LEU 61 -12.621 -6.053 -5.420 478 2HD1 LEU 61 2HD1 LEU 61 -11.806 -4.616 -4.803 479 3HD1 LEU 61 3HD1 LEU 61 -11.260 -6.220 -4.312 480 1HD2 LEU 61 1HD2 LEU 61 -15.042 -5.107 -4.181 481 2HD2 LEU 61 2HD2 LEU 61 -14.605 -4.187 -2.741 482 3HD2 LEU 61 3HD2 LEU 61 -13.876 -3.788 -4.291 483 H ALA 62 H ALA 62 -13.822 -9.225 -0.800 484 HA ALA 62 HA ALA 62 -15.471 -11.093 -2.164 485 1HB ALA 62 1HB ALA 62 -14.077 -11.140 0.512 486 2HB ALA 62 2HB ALA 62 -15.058 -12.504 -0.025 487 3HB ALA 62 3HB ALA 62 -13.651 -12.005 -0.963 488 H ALA 63 H ALA 63 -16.126 -8.978 0.552 489 HA ALA 63 HA ALA 63 -18.436 -10.276 1.597 490 1HB ALA 63 1HB ALA 63 -17.456 -8.419 2.801 491 2HB ALA 63 2HB ALA 63 -17.704 -7.338 1.430 492 3HB ALA 63 3HB ALA 63 -19.090 -7.947 2.336 493 H LEU 64 H LEU 64 -18.036 -7.985 -1.088 494 HA LEU 64 HA LEU 64 -20.852 -7.777 -1.658 495 1HB LEU 64 1HB LEU 64 -18.389 -7.264 -3.352 496 2HB LEU 64 2HB LEU 64 -20.020 -6.872 -3.880 497 HG LEU 64 HG LEU 64 -18.968 -5.840 -1.241 498 1HD1 LEU 64 1HD1 LEU 64 -18.594 -4.606 -3.986 499 2HD1 LEU 64 2HD1 LEU 64 -18.342 -3.745 -2.467 500 3HD1 LEU 64 3HD1 LEU 64 -17.322 -5.124 -2.880 501 1HD2 LEU 64 1HD2 LEU 64 -21.115 -4.963 -3.201 502 2HD2 LEU 64 2HD2 LEU 64 -21.339 -5.525 -1.545 503 3HD2 LEU 64 3HD2 LEU 64 -20.578 -3.966 -1.852 504 HA PRO 65 HA PRO 65 -21.446 -11.707 -3.680 505 1HB PRO 65 1HB PRO 65 -23.093 -10.813 -5.824 506 2HB PRO 65 2HB PRO 65 -23.634 -11.389 -4.243 507 1HG PRO 65 1HG PRO 65 -23.499 -8.624 -5.271 508 2HG PRO 65 2HG PRO 65 -24.456 -9.275 -3.934 509 1HD PRO 65 1HD PRO 65 -22.183 -7.653 -3.648 510 2HD PRO 65 2HD PRO 65 -22.864 -8.691 -2.371 No H/Q in entry = 510 Start of MODEL 7 1 H1 MET 1 H1 MET 1 34.776 -5.391 21.981 2 H2 MET 1 H2 MET 1 33.617 -5.429 23.223 3 H3 MET 1 H3 MET 1 34.524 -6.818 22.862 4 HA MET 1 HA MET 1 33.385 -7.251 20.921 5 1HB MET 1 1HB MET 1 31.485 -5.998 22.920 6 2HB MET 1 2HB MET 1 30.940 -6.921 21.520 7 1HG MET 1 1HG MET 1 32.241 -8.874 22.300 8 2HG MET 1 2HG MET 1 32.780 -7.955 23.702 9 1HE MET 1 1HE MET 1 31.548 -7.206 25.539 10 2HE MET 1 2HE MET 1 30.180 -6.371 24.811 11 3HE MET 1 3HE MET 1 29.908 -7.631 26.019 12 H LYS 2 H LYS 2 32.945 -6.421 18.926 13 HA LYS 2 HA LYS 2 33.162 -3.599 18.425 14 1HB LYS 2 1HB LYS 2 32.213 -5.904 16.696 15 2HB LYS 2 2HB LYS 2 32.408 -4.257 16.096 16 1HG LYS 2 1HG LYS 2 34.767 -4.271 16.601 17 2HG LYS 2 2HG LYS 2 34.624 -5.802 17.463 18 1HD LYS 2 1HD LYS 2 35.552 -6.166 15.213 19 2HD LYS 2 2HD LYS 2 33.969 -6.925 15.360 20 1HE LYS 2 1HE LYS 2 34.181 -4.113 14.301 21 2HE LYS 2 2HE LYS 2 34.500 -5.481 13.237 22 1HZ LYS 2 1HZ LYS 2 32.195 -6.083 14.658 23 2HZ LYS 2 2HZ LYS 2 32.021 -4.482 14.124 24 3HZ LYS 2 3HZ LYS 2 32.331 -5.720 13.004 25 H ALA 3 H ALA 3 31.543 -2.061 18.047 26 HA ALA 3 HA ALA 3 28.701 -2.940 18.086 27 1HB ALA 3 1HB ALA 3 29.957 -1.022 20.068 28 2HB ALA 3 2HB ALA 3 28.217 -1.148 19.807 29 3HB ALA 3 3HB ALA 3 29.119 -2.532 20.427 30 H ILE 4 H ILE 4 29.259 -2.204 15.792 31 HA ILE 4 HA ILE 4 29.320 0.759 15.480 32 HB ILE 4 HB ILE 4 29.355 -1.277 13.244 33 1HG1 ILE 4 1HG1 ILE 4 31.634 -0.390 15.039 34 2HG1 ILE 4 2HG1 ILE 4 31.071 -2.037 14.765 35 1HG2 ILE 4 1HG2 ILE 4 29.123 1.227 12.826 36 2HG2 ILE 4 2HG2 ILE 4 30.736 1.408 13.507 37 3HG2 ILE 4 3HG2 ILE 4 30.498 0.463 12.038 38 1HD1 ILE 4 1HD1 ILE 4 31.678 -1.717 12.317 39 2HD1 ILE 4 2HD1 ILE 4 32.477 -0.218 12.793 40 3HD1 ILE 4 3HD1 ILE 4 33.045 -1.761 13.429 41 H PHE 5 H PHE 5 27.036 -1.607 15.868 42 HA PHE 5 HA PHE 5 25.141 -0.972 13.801 43 1HB PHE 5 1HB PHE 5 23.507 -2.117 15.237 44 2HB PHE 5 2HB PHE 5 25.013 -3.032 15.170 45 HD1 PHE 5 HD1 PHE 5 26.521 -3.134 17.086 46 HD2 PHE 5 HD2 PHE 5 22.848 -0.914 17.265 47 HE1 PHE 5 HE1 PHE 5 26.720 -3.004 19.554 48 HE2 PHE 5 HE2 PHE 5 23.048 -0.783 19.734 49 HZ PHE 5 HZ PHE 5 24.984 -1.827 20.878 50 H VAL 6 H VAL 6 26.247 0.845 16.432 51 HA VAL 6 HA VAL 6 23.999 2.181 17.425 52 HB VAL 6 HB VAL 6 25.485 4.163 17.714 53 1HG1 VAL 6 1HG1 VAL 6 25.553 2.223 19.286 54 2HG1 VAL 6 2HG1 VAL 6 26.862 1.532 18.326 55 3HG1 VAL 6 3HG1 VAL 6 27.101 3.063 19.167 56 1HG2 VAL 6 1HG2 VAL 6 27.381 2.474 16.054 57 2HG2 VAL 6 2HG2 VAL 6 26.705 4.040 15.608 58 3HG2 VAL 6 3HG2 VAL 6 27.852 3.923 16.942 59 H LEU 7 H LEU 7 24.994 2.041 14.187 60 HA LEU 7 HA LEU 7 24.134 4.683 13.359 61 1HB LEU 7 1HB LEU 7 24.384 2.134 11.734 62 2HB LEU 7 2HB LEU 7 24.220 3.761 11.077 63 HG LEU 7 HG LEU 7 26.502 2.823 12.842 64 1HD1 LEU 7 1HD1 LEU 7 26.373 3.359 9.858 65 2HD1 LEU 7 2HD1 LEU 7 27.835 2.962 10.761 66 3HD1 LEU 7 3HD1 LEU 7 26.538 1.775 10.615 67 1HD2 LEU 7 1HD2 LEU 7 25.772 5.460 11.568 68 2HD2 LEU 7 2HD2 LEU 7 26.397 5.142 13.186 69 3HD2 LEU 7 3HD2 LEU 7 27.471 5.045 11.794 70 H ASN 8 H ASN 8 22.315 2.558 14.865 71 HA ASN 8 HA ASN 8 20.100 2.003 13.160 72 1HB ASN 8 1HB ASN 8 20.244 2.481 16.152 73 2HB ASN 8 2HB ASN 8 18.782 1.944 15.327 74 2HD2 ASN 8 2HD2 ASN 8 20.267 0.374 17.320 75 1HD2 ASN 8 1HD2 ASN 8 20.811 -1.027 16.532 76 H ALA 9 H ALA 9 18.323 3.257 12.570 77 HA ALA 9 HA ALA 9 18.565 6.175 13.101 78 1HB ALA 9 1HB ALA 9 16.585 4.824 11.259 79 2HB ALA 9 2HB ALA 9 18.240 5.171 10.760 80 3HB ALA 9 3HB ALA 9 17.160 6.490 11.211 81 H GLN 10 H GLN 10 17.586 6.687 15.020 82 HA GLN 10 HA GLN 10 15.372 5.305 16.174 83 1HB GLN 10 1HB GLN 10 16.386 8.138 16.541 84 2HB GLN 10 2HB GLN 10 15.102 7.433 17.523 85 1HG GLN 10 1HG GLN 10 17.840 6.175 17.213 86 2HG GLN 10 2HG GLN 10 17.416 7.261 18.538 87 2HE2 GLN 10 2HE2 GLN 10 14.888 6.468 19.282 88 1HE2 GLN 10 1HE2 GLN 10 14.878 4.836 19.748 89 H HIS 11 H HIS 11 15.567 8.129 14.044 90 HA HIS 11 HA HIS 11 12.681 8.556 14.032 91 1HB HIS 11 1HB HIS 11 14.852 9.616 12.196 92 2HB HIS 11 2HB HIS 11 13.186 10.194 12.246 93 HD1 HIS 11 HD1 HIS 11 16.401 10.244 14.179 94 HD2 HIS 11 HD2 HIS 11 12.540 11.778 14.528 95 HE1 HIS 11 HE1 HIS 11 16.473 11.946 16.054 96 H ASP 12 H ASP 12 11.949 8.831 11.439 97 HA ASP 12 HA ASP 12 12.389 6.115 10.221 98 1HB ASP 12 1HB ASP 12 10.095 6.501 11.201 99 2HB ASP 12 2HB ASP 12 9.885 7.817 10.048 100 H GLU 13 H GLU 13 14.197 7.366 9.115 101 HA GLU 13 HA GLU 13 13.293 9.270 7.031 102 1HB GLU 13 1HB GLU 13 16.029 8.253 7.846 103 2HB GLU 13 2HB GLU 13 15.766 9.337 6.480 104 1HG GLU 13 1HG GLU 13 14.829 9.949 9.296 105 2HG GLU 13 2HG GLU 13 16.373 10.500 8.645 106 H ALA 14 H ALA 14 11.976 7.365 6.098 107 HA ALA 14 HA ALA 14 13.560 5.319 4.701 108 1HB ALA 14 1HB ALA 14 10.619 5.884 4.297 109 2HB ALA 14 2HB ALA 14 11.483 4.365 4.062 110 3HB ALA 14 3HB ALA 14 11.214 4.984 5.692 111 H VAL 15 H VAL 15 14.646 5.938 2.925 112 HA VAL 15 HA VAL 15 14.088 8.242 1.349 113 HB VAL 15 HB VAL 15 16.267 6.989 1.438 114 1HG1 VAL 15 1HG1 VAL 15 15.148 4.725 1.196 115 2HG1 VAL 15 2HG1 VAL 15 14.928 5.099 -0.513 116 3HG1 VAL 15 3HG1 VAL 15 16.552 4.977 0.158 117 1HG2 VAL 15 1HG2 VAL 15 14.997 7.482 -1.270 118 2HG2 VAL 15 2HG2 VAL 15 15.941 8.626 -0.317 119 3HG2 VAL 15 3HG2 VAL 15 16.723 7.215 -1.028 120 H ASP 16 H ASP 16 13.131 4.838 0.938 121 HA ASP 16 HA ASP 16 11.496 5.593 -1.444 122 1HB ASP 16 1HB ASP 16 11.254 3.172 -1.780 123 2HB ASP 16 2HB ASP 16 12.959 3.594 -1.622 124 H ALA 17 H ALA 17 9.285 5.647 -1.318 125 HA ALA 17 HA ALA 17 7.756 4.187 0.637 126 1HB ALA 17 1HB ALA 17 8.652 5.832 2.197 127 2HB ALA 17 2HB ALA 17 6.943 6.171 1.927 128 3HB ALA 17 3HB ALA 17 8.172 7.150 1.128 129 H ASN 18 H ASN 18 8.098 6.339 -1.987 130 HA ASN 18 HA ASN 18 5.435 7.281 -2.314 131 1HB ASN 18 1HB ASN 18 7.335 8.105 -3.662 132 2HB ASN 18 2HB ASN 18 7.450 6.535 -4.458 133 2HD2 ASN 18 2HD2 ASN 18 4.718 8.776 -3.680 134 1HD2 ASN 18 1HD2 ASN 18 4.057 8.741 -5.242 135 H SER 19 H SER 19 6.982 4.275 -3.477 136 HA SER 19 HA SER 19 4.704 3.271 -4.874 137 1HB SER 19 1HB SER 19 7.010 2.322 -5.055 138 2HB SER 19 2HB SER 19 6.837 1.670 -3.427 139 HG SER 19 HG SER 19 5.880 0.738 -5.787 140 H LEU 20 H LEU 20 5.790 2.746 -1.515 141 HA LEU 20 HA LEU 20 3.666 1.021 -0.752 142 1HB LEU 20 1HB LEU 20 5.685 1.363 0.623 143 2HB LEU 20 2HB LEU 20 5.196 3.026 0.936 144 HG LEU 20 HG LEU 20 3.154 2.220 2.067 145 1HD1 LEU 20 1HD1 LEU 20 4.219 -0.447 1.149 146 2HD1 LEU 20 2HD1 LEU 20 3.263 -0.357 2.630 147 3HD1 LEU 20 3HD1 LEU 20 2.566 0.168 1.101 148 1HD2 LEU 20 1HD2 LEU 20 5.716 0.925 3.052 149 2HD2 LEU 20 2HD2 LEU 20 5.198 2.577 3.388 150 3HD2 LEU 20 3HD2 LEU 20 4.282 1.217 4.037 151 H ALA 21 H ALA 21 3.945 4.571 -0.426 152 HA ALA 21 HA ALA 21 1.366 4.964 0.703 153 1HB ALA 21 1HB ALA 21 3.041 6.833 -0.994 154 2HB ALA 21 2HB ALA 21 3.082 6.707 0.764 155 3HB ALA 21 3HB ALA 21 1.638 7.320 -0.042 156 H GLU 22 H GLU 22 2.455 4.920 -2.689 157 HA GLU 22 HA GLU 22 0.012 5.788 -3.847 158 1HB GLU 22 1HB GLU 22 2.215 5.489 -5.053 159 2HB GLU 22 2HB GLU 22 1.901 3.753 -5.054 160 1HG GLU 22 1HG GLU 22 1.126 4.632 -7.165 161 2HG GLU 22 2HG GLU 22 -0.296 4.234 -6.200 162 H ALA 23 H ALA 23 1.094 2.531 -2.909 163 HA ALA 23 HA ALA 23 -1.126 1.107 -3.987 164 1HB ALA 23 1HB ALA 23 -0.591 -0.552 -2.107 165 2HB ALA 23 2HB ALA 23 0.730 -0.180 -3.214 166 3HB ALA 23 3HB ALA 23 0.679 0.570 -1.618 167 H LYS 24 H LYS 24 -0.642 2.654 -0.825 168 HA LYS 24 HA LYS 24 -3.219 1.908 0.239 169 1HB LYS 24 1HB LYS 24 -1.263 4.114 0.945 170 2HB LYS 24 2HB LYS 24 -2.726 3.775 1.873 171 1HG LYS 24 1HG LYS 24 -1.958 1.459 2.250 172 2HG LYS 24 2HG LYS 24 -0.492 1.797 1.327 173 1HD LYS 24 1HD LYS 24 0.129 3.552 2.943 174 2HD LYS 24 2HD LYS 24 -1.331 3.216 3.869 175 1HE LYS 24 1HE LYS 24 0.675 2.077 4.812 176 2HE LYS 24 2HE LYS 24 -0.577 0.941 4.314 177 1HZ LYS 24 1HZ LYS 24 1.216 1.577 2.184 178 2HZ LYS 24 2HZ LYS 24 2.032 0.916 3.515 179 3HZ LYS 24 3HZ LYS 24 0.756 0.059 2.792 180 H VAL 25 H VAL 25 -1.994 4.763 -1.497 181 HA VAL 25 HA VAL 25 -4.396 6.312 -1.286 182 HB VAL 25 HB VAL 25 -2.160 6.326 -3.320 183 1HG1 VAL 25 1HG1 VAL 25 -4.562 8.135 -3.023 184 2HG1 VAL 25 2HG1 VAL 25 -3.090 8.646 -3.850 185 3HG1 VAL 25 3HG1 VAL 25 -4.020 7.279 -4.466 186 1HG2 VAL 25 1HG2 VAL 25 -1.748 6.972 -0.880 187 2HG2 VAL 25 2HG2 VAL 25 -1.320 8.189 -2.083 188 3HG2 VAL 25 3HG2 VAL 25 -2.818 8.344 -1.167 189 H LEU 26 H LEU 26 -3.183 4.162 -3.873 190 HA LEU 26 HA LEU 26 -5.455 4.446 -5.575 191 1HB LEU 26 1HB LEU 26 -3.478 2.175 -5.233 192 2HB LEU 26 2HB LEU 26 -4.705 2.201 -6.497 193 HG LEU 26 HG LEU 26 -2.647 4.394 -6.098 194 1HD1 LEU 26 1HD1 LEU 26 -2.645 2.043 -8.016 195 2HD1 LEU 26 2HD1 LEU 26 -1.494 3.380 -8.050 196 3HD1 LEU 26 3HD1 LEU 26 -1.533 2.285 -6.668 197 1HD2 LEU 26 1HD2 LEU 26 -4.796 3.829 -8.142 198 2HD2 LEU 26 2HD2 LEU 26 -4.364 5.357 -7.376 199 3HD2 LEU 26 3HD2 LEU 26 -3.338 4.686 -8.638 200 H ALA 27 H ALA 27 -4.772 2.198 -2.909 201 HA ALA 27 HA ALA 27 -7.181 0.646 -3.250 202 1HB ALA 27 1HB ALA 27 -5.174 -0.084 -1.912 203 2HB ALA 27 2HB ALA 27 -5.621 1.105 -0.689 204 3HB ALA 27 3HB ALA 27 -6.701 -0.244 -1.043 205 H ASN 28 H ASN 28 -6.356 3.548 -1.410 206 HA ASN 28 HA ASN 28 -8.740 3.772 0.129 207 1HB ASN 28 1HB ASN 28 -6.628 5.154 0.371 208 2HB ASN 28 2HB ASN 28 -7.141 6.065 -1.048 209 2HD2 ASN 28 2HD2 ASN 28 -7.851 5.429 2.357 210 1HD2 ASN 28 1HD2 ASN 28 -8.978 6.687 2.541 211 H ARG 29 H ARG 29 -7.952 4.842 -3.156 212 HA ARG 29 HA ARG 29 -10.373 6.272 -3.671 213 1HB ARG 29 1HB ARG 29 -8.535 4.788 -5.575 214 2HB ARG 29 2HB ARG 29 -9.778 5.933 -6.069 215 1HG ARG 29 1HG ARG 29 -7.630 6.722 -4.096 216 2HG ARG 29 2HG ARG 29 -7.343 6.806 -5.832 217 1HD ARG 29 1HD ARG 29 -9.438 8.226 -6.016 218 2HD ARG 29 2HD ARG 29 -9.464 8.289 -4.255 219 HE ARG 29 HE ARG 29 -6.903 9.109 -4.893 220 1HH1 ARG 29 1HH1 ARG 29 -6.381 11.281 -5.256 221 2HH1 ARG 29 2HH1 ARG 29 -7.614 12.376 -5.782 222 1HH2 ARG 29 1HH2 ARG 29 -10.111 9.971 -5.812 223 2HH2 ARG 29 2HH2 ARG 29 -9.726 11.635 -6.096 224 H GLU 30 H GLU 30 -9.542 2.845 -3.954 225 HA GLU 30 HA GLU 30 -11.814 2.000 -5.436 226 1HB GLU 30 1HB GLU 30 -10.157 0.564 -3.349 227 2HB GLU 30 2HB GLU 30 -11.416 -0.228 -4.298 228 1HG GLU 30 1HG GLU 30 -10.272 0.287 -6.365 229 2HG GLU 30 2HG GLU 30 -9.086 1.277 -5.514 230 H LEU 31 H LEU 31 -11.395 2.489 -1.946 231 HA LEU 31 HA LEU 31 -13.889 1.393 -1.119 232 1HB LEU 31 1HB LEU 31 -12.640 3.849 0.139 233 2HB LEU 31 2HB LEU 31 -13.557 2.565 0.928 234 HG LEU 31 HG LEU 31 -10.791 2.359 -0.276 235 1HD1 LEU 31 1HD1 LEU 31 -11.848 2.049 2.550 236 2HD1 LEU 31 2HD1 LEU 31 -10.178 1.765 2.059 237 3HD1 LEU 31 3HD1 LEU 31 -10.867 3.384 1.945 238 1HD2 LEU 31 1HD2 LEU 31 -12.705 0.247 0.744 239 2HD2 LEU 31 2HD2 LEU 31 -11.826 0.275 -0.784 240 3HD2 LEU 31 3HD2 LEU 31 -10.961 -0.018 0.725 241 H ASP 32 H ASP 32 -12.972 4.664 -2.103 242 HA ASP 32 HA ASP 32 -15.500 5.920 -1.786 243 1HB ASP 32 1HB ASP 32 -13.382 7.134 -2.145 244 2HB ASP 32 2HB ASP 32 -13.295 6.496 -3.786 245 H LYS 33 H LYS 33 -14.092 4.145 -4.526 246 HA LYS 33 HA LYS 33 -16.105 4.710 -6.445 247 1HB LYS 33 1HB LYS 33 -14.333 2.286 -6.059 248 2HB LYS 33 2HB LYS 33 -15.380 2.493 -7.459 249 1HG LYS 33 1HG LYS 33 -13.467 4.694 -6.695 250 2HG LYS 33 2HG LYS 33 -12.865 3.292 -7.575 251 1HD LYS 33 1HD LYS 33 -15.358 4.576 -8.642 252 2HD LYS 33 2HD LYS 33 -13.855 5.472 -8.840 253 1HE LYS 33 1HE LYS 33 -14.332 3.995 -10.782 254 2HE LYS 33 2HE LYS 33 -12.827 3.560 -9.973 255 1HZ LYS 33 1HZ LYS 33 -14.162 1.902 -8.692 256 2HZ LYS 33 2HZ LYS 33 -15.458 2.217 -9.743 257 3HZ LYS 33 3HZ LYS 33 -14.013 1.570 -10.351 258 H TYR 34 H TYR 34 -15.958 2.149 -3.969 259 HA TYR 34 HA TYR 34 -18.691 1.254 -4.788 260 1HB TYR 34 1HB TYR 34 -16.892 -0.060 -2.751 261 2HB TYR 34 2HB TYR 34 -18.222 -0.777 -3.659 262 HD1 TYR 34 HD1 TYR 34 -14.776 -0.765 -3.477 263 HD2 TYR 34 HD2 TYR 34 -17.912 -0.246 -6.372 264 HE1 TYR 34 HE1 TYR 34 -13.207 -1.381 -5.295 265 HE2 TYR 34 HE2 TYR 34 -16.338 -0.855 -8.184 266 HH TYR 34 HH TYR 34 -13.459 -2.381 -7.680 267 H GLY 35 H GLY 35 -17.303 3.402 -2.665 268 1HA GLY 35 1HA GLY 35 -19.753 3.863 -1.268 269 2HA GLY 35 2HA GLY 35 -18.199 4.580 -0.850 270 H VAL 36 H VAL 36 -16.824 2.068 -0.308 271 HA VAL 36 HA VAL 36 -18.340 0.546 1.630 272 HB VAL 36 HB VAL 36 -15.324 0.779 1.642 273 1HG1 VAL 36 1HG1 VAL 36 -17.284 -1.467 2.207 274 2HG1 VAL 36 2HG1 VAL 36 -15.528 -1.627 2.255 275 3HG1 VAL 36 3HG1 VAL 36 -16.351 -0.573 3.405 276 1HG2 VAL 36 1HG2 VAL 36 -17.063 -0.831 -0.255 277 2HG2 VAL 36 2HG2 VAL 36 -15.997 0.502 -0.696 278 3HG2 VAL 36 3HG2 VAL 36 -15.315 -1.006 -0.091 279 H SER 37 H SER 37 -17.784 0.526 4.004 280 HA SER 37 HA SER 37 -18.205 3.006 5.228 281 1HB SER 37 1HB SER 37 -16.807 0.543 6.298 282 2HB SER 37 2HB SER 37 -17.211 1.933 7.300 283 HG SER 37 HG SER 37 -19.153 0.715 5.662 284 H ASP 38 H ASP 38 -16.885 4.660 5.938 285 HA ASP 38 HA ASP 38 -14.319 4.983 4.666 286 1HB ASP 38 1HB ASP 38 -15.726 6.540 6.850 287 2HB ASP 38 2HB ASP 38 -14.183 7.033 6.150 288 H TYR 39 H TYR 39 -15.279 3.414 7.544 289 HA TYR 39 HA TYR 39 -13.039 3.868 9.235 290 1HB TYR 39 1HB TYR 39 -15.006 2.741 10.079 291 2HB TYR 39 2HB TYR 39 -14.825 1.442 8.900 292 HD1 TYR 39 HD1 TYR 39 -13.096 -0.250 9.137 293 HD2 TYR 39 HD2 TYR 39 -13.518 2.900 12.025 294 HE1 TYR 39 HE1 TYR 39 -11.627 -1.487 10.697 295 HE2 TYR 39 HE2 TYR 39 -12.048 1.659 13.591 296 HH TYR 39 HH TYR 39 -10.026 -0.642 12.778 297 H TYR 40 H TYR 40 -13.544 1.361 6.742 298 HA TYR 40 HA TYR 40 -11.175 -0.098 7.093 299 1HB TYR 40 1HB TYR 40 -12.669 0.569 4.546 300 2HB TYR 40 2HB TYR 40 -11.360 -0.608 4.631 301 HD1 TYR 40 HD1 TYR 40 -11.581 -2.541 6.317 302 HD2 TYR 40 HD2 TYR 40 -14.867 -0.044 5.136 303 HE1 TYR 40 HE1 TYR 40 -13.177 -4.268 7.106 304 HE2 TYR 40 HE2 TYR 40 -16.464 -1.767 5.925 305 HH TYR 40 HH TYR 40 -15.321 -4.903 7.155 306 H LYS 41 H LYS 41 -11.466 3.170 5.871 307 HA LYS 41 HA LYS 41 -9.058 3.134 4.299 308 1HB LYS 41 1HB LYS 41 -9.344 5.437 4.053 309 2HB LYS 41 2HB LYS 41 -10.991 4.921 4.397 310 1HG LYS 41 1HG LYS 41 -10.459 5.422 6.865 311 2HG LYS 41 2HG LYS 41 -9.020 6.242 6.271 312 1HD LYS 41 1HD LYS 41 -11.866 6.881 5.447 313 2HD LYS 41 2HD LYS 41 -10.882 7.834 6.557 314 1HE LYS 41 1HE LYS 41 -9.162 7.943 4.618 315 2HE LYS 41 2HE LYS 41 -10.500 7.421 3.593 316 1HZ LYS 41 1HZ LYS 41 -11.794 9.306 4.482 317 2HZ LYS 41 2HZ LYS 41 -10.410 9.839 5.312 318 3HZ LYS 41 3HZ LYS 41 -10.421 9.794 3.613 319 H ASN 42 H ASN 42 -9.743 3.872 7.696 320 HA ASN 42 HA ASN 42 -7.098 4.709 8.359 321 1HB ASN 42 1HB ASN 42 -9.024 5.093 9.861 322 2HB ASN 42 2HB ASN 42 -9.165 3.353 10.119 323 2HD2 ASN 42 2HD2 ASN 42 -8.777 4.108 12.485 324 1HD2 ASN 42 1HD2 ASN 42 -7.163 4.243 12.995 325 H LEU 43 H LEU 43 -8.674 1.545 8.292 326 HA LEU 43 HA LEU 43 -6.508 0.065 9.413 327 1HB LEU 43 1HB LEU 43 -8.784 -0.861 9.156 328 2HB LEU 43 2HB LEU 43 -8.609 -0.810 7.404 329 HG LEU 43 HG LEU 43 -6.726 -2.398 7.539 330 1HD1 LEU 43 1HD1 LEU 43 -7.205 -2.048 10.496 331 2HD1 LEU 43 2HD1 LEU 43 -6.567 -3.579 9.896 332 3HD1 LEU 43 3HD1 LEU 43 -5.677 -2.086 9.613 333 1HD2 LEU 43 1HD2 LEU 43 -9.124 -3.165 7.369 334 2HD2 LEU 43 2HD2 LEU 43 -8.045 -4.356 8.097 335 3HD2 LEU 43 3HD2 LEU 43 -9.116 -3.397 9.117 336 H ILE 44 H ILE 44 -7.268 1.037 6.073 337 HA ILE 44 HA ILE 44 -5.126 -0.396 4.808 338 HB ILE 44 HB ILE 44 -6.546 2.177 4.051 339 1HG1 ILE 44 1HG1 ILE 44 -7.758 -0.142 4.116 340 2HG1 ILE 44 2HG1 ILE 44 -7.958 0.881 2.700 341 1HG2 ILE 44 1HG2 ILE 44 -4.423 0.602 2.605 342 2HG2 ILE 44 2HG2 ILE 44 -5.587 1.590 1.722 343 3HG2 ILE 44 3HG2 ILE 44 -4.505 2.339 2.896 344 1HD1 ILE 44 1HD1 ILE 44 -5.909 -1.356 2.881 345 2HD1 ILE 44 2HD1 ILE 44 -7.503 -1.532 2.156 346 3HD1 ILE 44 3HD1 ILE 44 -6.337 -0.423 1.447 347 H ASN 45 H ASN 45 -5.335 2.849 6.238 348 HA ASN 45 HA ASN 45 -2.855 3.891 5.465 349 1HB ASN 45 1HB ASN 45 -4.369 4.217 8.062 350 2HB ASN 45 2HB ASN 45 -2.934 5.157 7.659 351 2HD2 ASN 45 2HD2 ASN 45 -3.233 5.875 5.053 352 1HD2 ASN 45 1HD2 ASN 45 -4.687 6.715 4.800 353 H ASN 46 H ASN 46 -3.537 1.448 7.904 354 HA ASN 46 HA ASN 46 -0.631 1.372 8.645 355 1HB ASN 46 1HB ASN 46 -1.359 0.119 10.625 356 2HB ASN 46 2HB ASN 46 -2.222 1.652 10.518 357 2HD2 ASN 46 2HD2 ASN 46 -4.236 1.087 11.447 358 1HD2 ASN 46 1HD2 ASN 46 -5.235 -0.149 10.852 359 H ALA 47 H ALA 47 -1.751 0.202 6.152 360 HA ALA 47 HA ALA 47 -2.145 -2.598 6.386 361 1HB ALA 47 1HB ALA 47 -2.367 -1.067 4.301 362 2HB ALA 47 2HB ALA 47 -1.792 -2.715 4.058 363 3HB ALA 47 3HB ALA 47 -0.647 -1.375 4.069 364 H LYS 48 H LYS 48 -0.741 -4.312 6.583 365 HA LYS 48 HA LYS 48 1.851 -3.861 7.715 366 1HB LYS 48 1HB LYS 48 0.539 -6.334 6.581 367 2HB LYS 48 2HB LYS 48 2.113 -6.358 7.375 368 1HG LYS 48 1HG LYS 48 1.103 -5.390 9.411 369 2HG LYS 48 2HG LYS 48 -0.473 -5.378 8.625 370 1HD LYS 48 1HD LYS 48 1.105 -7.941 8.855 371 2HD LYS 48 2HD LYS 48 0.120 -7.373 10.200 372 1HE LYS 48 1HE LYS 48 -0.861 -7.966 7.388 373 2HE LYS 48 2HE LYS 48 -1.188 -8.914 8.834 374 1HZ LYS 48 1HZ LYS 48 -2.172 -6.803 9.770 375 2HZ LYS 48 2HZ LYS 48 -2.130 -6.186 8.191 376 3HZ LYS 48 3HZ LYS 48 -3.056 -7.567 8.538 377 H THR 49 H THR 49 0.832 -4.784 4.421 378 HA THR 49 HA THR 49 3.411 -3.808 3.395 379 HB THR 49 HB THR 49 4.136 -6.017 3.881 380 HG1 THR 49 HG1 THR 49 4.402 -5.257 1.663 381 1HG2 THR 49 1HG2 THR 49 1.440 -6.858 2.808 382 2HG2 THR 49 2HG2 THR 49 2.756 -8.000 3.080 383 3HG2 THR 49 3HG2 THR 49 2.080 -7.097 4.433 384 H VAL 50 H VAL 50 3.439 -4.057 0.921 385 HA VAL 50 HA VAL 50 1.052 -2.902 -0.153 386 HB VAL 50 HB VAL 50 2.152 -3.169 -2.344 387 1HG1 VAL 50 1HG1 VAL 50 2.833 -1.361 -0.737 388 2HG1 VAL 50 2HG1 VAL 50 4.146 -2.404 -0.194 389 3HG1 VAL 50 3HG1 VAL 50 4.111 -1.825 -1.859 390 1HG2 VAL 50 1HG2 VAL 50 4.001 -4.942 -0.731 391 2HG2 VAL 50 2HG2 VAL 50 3.125 -5.345 -2.207 392 3HG2 VAL 50 3HG2 VAL 50 4.490 -4.229 -2.268 393 H GLU 51 H GLU 51 2.305 -6.224 -0.233 394 HA GLU 51 HA GLU 51 0.422 -7.283 -2.081 395 1HB GLU 51 1HB GLU 51 1.847 -8.557 0.270 396 2HB GLU 51 2HB GLU 51 0.872 -9.471 -0.882 397 1HG GLU 51 1HG GLU 51 2.297 -8.671 -2.731 398 2HG GLU 51 2HG GLU 51 3.276 -7.759 -1.582 399 H GLY 52 H GLY 52 0.239 -6.808 1.424 400 1HA GLY 52 1HA GLY 52 -1.568 -7.008 2.907 401 2HA GLY 52 2HA GLY 52 -2.318 -8.099 1.745 402 H VAL 53 H VAL 53 -1.375 -4.822 0.842 403 HA VAL 53 HA VAL 53 -3.814 -3.493 1.455 404 HB VAL 53 HB VAL 53 -1.764 -2.997 -0.719 405 1HG1 VAL 53 1HG1 VAL 53 -4.227 -1.424 0.068 406 2HG1 VAL 53 2HG1 VAL 53 -2.852 -0.673 -0.742 407 3HG1 VAL 53 3HG1 VAL 53 -3.751 -1.961 -1.543 408 1HG2 VAL 53 1HG2 VAL 53 -1.165 -2.754 1.744 409 2HG2 VAL 53 2HG2 VAL 53 -0.951 -1.297 0.775 410 3HG2 VAL 53 3HG2 VAL 53 -2.360 -1.460 1.823 411 H LYS 54 H LYS 54 -2.833 -5.072 -1.619 412 HA LYS 54 HA LYS 54 -5.390 -4.594 -2.873 413 1HB LYS 54 1HB LYS 54 -3.162 -6.553 -3.493 414 2HB LYS 54 2HB LYS 54 -4.588 -6.343 -4.512 415 1HG LYS 54 1HG LYS 54 -4.055 -3.948 -4.771 416 2HG LYS 54 2HG LYS 54 -2.628 -4.155 -3.756 417 1HD LYS 54 1HD LYS 54 -1.701 -5.765 -5.381 418 2HD LYS 54 2HD LYS 54 -3.126 -5.555 -6.400 419 1HE LYS 54 1HE LYS 54 -1.223 -4.149 -7.166 420 2HE LYS 54 2HE LYS 54 -2.611 -3.176 -6.680 421 1HZ LYS 54 1HZ LYS 54 -0.524 -3.840 -4.714 422 2HZ LYS 54 2HZ LYS 54 -0.271 -2.570 -5.813 423 3HZ LYS 54 3HZ LYS 54 -1.589 -2.520 -4.742 424 H ALA 55 H ALA 55 -4.013 -7.346 -1.108 425 HA ALA 55 HA ALA 55 -6.240 -9.114 -1.569 426 1HB ALA 55 1HB ALA 55 -5.229 -10.514 0.135 427 2HB ALA 55 2HB ALA 55 -4.255 -9.164 0.717 428 3HB ALA 55 3HB ALA 55 -3.949 -9.848 -0.879 429 H LEU 56 H LEU 56 -5.538 -6.735 0.950 430 HA LEU 56 HA LEU 56 -7.504 -7.559 2.827 431 1HB LEU 56 1HB LEU 56 -5.714 -5.820 3.231 432 2HB LEU 56 2HB LEU 56 -6.653 -4.704 2.249 433 HG LEU 56 HG LEU 56 -8.611 -5.158 3.833 434 1HD1 LEU 56 1HD1 LEU 56 -6.372 -6.565 5.296 435 2HD1 LEU 56 2HD1 LEU 56 -7.699 -5.828 6.189 436 3HD1 LEU 56 3HD1 LEU 56 -8.027 -7.107 5.026 437 1HD2 LEU 56 1HD2 LEU 56 -7.277 -3.082 3.891 438 2HD2 LEU 56 2HD2 LEU 56 -7.746 -3.567 5.518 439 3HD2 LEU 56 3HD2 LEU 56 -6.103 -3.860 4.950 440 H ILE 57 H ILE 57 -7.691 -5.286 0.096 441 HA ILE 57 HA ILE 57 -10.446 -4.582 0.407 442 HB ILE 57 HB ILE 57 -8.858 -4.849 -2.164 443 1HG1 ILE 57 1HG1 ILE 57 -7.681 -3.347 -0.654 444 2HG1 ILE 57 2HG1 ILE 57 -8.489 -2.379 -1.882 445 1HG2 ILE 57 1HG2 ILE 57 -11.413 -3.400 -1.453 446 2HG2 ILE 57 2HG2 ILE 57 -10.487 -3.055 -2.914 447 3HG2 ILE 57 3HG2 ILE 57 -11.184 -4.656 -2.668 448 1HD1 ILE 57 1HD1 ILE 57 -10.445 -2.259 -0.136 449 2HD1 ILE 57 2HD1 ILE 57 -9.197 -2.718 1.022 450 3HD1 ILE 57 3HD1 ILE 57 -9.028 -1.235 0.087 451 H ASP 58 H ASP 58 -8.821 -7.265 -1.258 452 HA ASP 58 HA ASP 58 -11.125 -8.294 -2.587 453 1HB ASP 58 1HB ASP 58 -8.665 -9.695 -1.510 454 2HB ASP 58 2HB ASP 58 -9.888 -10.505 -2.488 455 H GLU 59 H GLU 59 -9.904 -8.859 0.709 456 HA GLU 59 HA GLU 59 -11.942 -10.807 1.356 457 1HB GLU 59 1HB GLU 59 -10.152 -9.077 3.083 458 2HB GLU 59 2HB GLU 59 -11.269 -10.274 3.739 459 1HG GLU 59 1HG GLU 59 -9.154 -10.935 1.676 460 2HG GLU 59 2HG GLU 59 -8.902 -11.111 3.413 461 H ILE 60 H ILE 60 -11.606 -7.304 1.756 462 HA ILE 60 HA ILE 60 -14.024 -6.973 3.255 463 HB ILE 60 HB ILE 60 -12.501 -5.005 1.527 464 1HG1 ILE 60 1HG1 ILE 60 -12.541 -5.331 4.541 465 2HG1 ILE 60 2HG1 ILE 60 -11.321 -6.078 3.511 466 1HG2 ILE 60 1HG2 ILE 60 -14.743 -4.646 3.535 467 2HG2 ILE 60 2HG2 ILE 60 -13.708 -3.322 2.997 468 3HG2 ILE 60 3HG2 ILE 60 -14.739 -4.165 1.840 469 1HD1 ILE 60 1HD1 ILE 60 -11.908 -3.104 3.605 470 2HD1 ILE 60 2HD1 ILE 60 -10.571 -3.891 4.445 471 3HD1 ILE 60 3HD1 ILE 60 -10.626 -3.888 2.682 472 H LEU 61 H LEU 61 -13.328 -6.592 -0.237 473 HA LEU 61 HA LEU 61 -16.070 -5.944 -0.886 474 1HB LEU 61 1HB LEU 61 -13.765 -6.950 -2.586 475 2HB LEU 61 2HB LEU 61 -15.340 -6.525 -3.253 476 HG LEU 61 HG LEU 61 -13.507 -4.657 -1.712 477 1HD1 LEU 61 1HD1 LEU 61 -12.876 -5.386 -4.107 478 2HD1 LEU 61 2HD1 LEU 61 -14.298 -4.479 -4.624 479 3HD1 LEU 61 3HD1 LEU 61 -12.978 -3.653 -3.797 480 1HD2 LEU 61 1HD2 LEU 61 -16.316 -4.393 -2.758 481 2HD2 LEU 61 2HD2 LEU 61 -15.600 -3.725 -1.292 482 3HD2 LEU 61 3HD2 LEU 61 -15.261 -2.984 -2.852 483 H ALA 62 H ALA 62 -14.229 -8.948 -0.709 484 HA ALA 62 HA ALA 62 -16.106 -10.660 -1.985 485 1HB ALA 62 1HB ALA 62 -14.086 -11.153 0.210 486 2HB ALA 62 2HB ALA 62 -13.942 -11.542 -1.505 487 3HB ALA 62 3HB ALA 62 -15.063 -12.447 -0.486 488 H ALA 63 H ALA 63 -15.952 -9.511 1.382 489 HA ALA 63 HA ALA 63 -18.031 -11.214 2.372 490 1HB ALA 63 1HB ALA 63 -18.254 -9.217 4.079 491 2HB ALA 63 2HB ALA 63 -16.783 -10.189 4.069 492 3HB ALA 63 3HB ALA 63 -16.803 -8.617 3.272 493 H LEU 64 H LEU 64 -18.014 -8.029 0.847 494 HA LEU 64 HA LEU 64 -20.969 -8.275 0.421 495 1HB LEU 64 1HB LEU 64 -21.034 -5.758 0.715 496 2HB LEU 64 2HB LEU 64 -20.785 -6.693 2.186 497 HG LEU 64 HG LEU 64 -18.292 -5.883 0.744 498 1HD1 LEU 64 1HD1 LEU 64 -19.993 -3.866 2.242 499 2HD1 LEU 64 2HD1 LEU 64 -18.335 -3.605 1.700 500 3HD1 LEU 64 3HD1 LEU 64 -19.625 -3.829 0.517 501 1HD2 LEU 64 1HD2 LEU 64 -18.547 -7.097 3.019 502 2HD2 LEU 64 2HD2 LEU 64 -17.409 -5.754 2.940 503 3HD2 LEU 64 3HD2 LEU 64 -19.000 -5.521 3.663 504 HA PRO 65 HA PRO 65 -18.637 -7.310 -3.486 505 1HB PRO 65 1HB PRO 65 -20.165 -9.225 -4.946 506 2HB PRO 65 2HB PRO 65 -18.504 -9.407 -4.372 507 1HG PRO 65 1HG PRO 65 -20.876 -10.755 -3.409 508 2HG PRO 65 2HG PRO 65 -19.204 -10.986 -2.890 509 1HD PRO 65 1HD PRO 65 -21.354 -9.595 -1.483 510 2HD PRO 65 2HD PRO 65 -19.708 -9.954 -0.904 No H/Q in entry = 510 Start of MODEL 8 1 H1 MET 1 H1 MET 1 19.417 -10.120 -4.832 2 H2 MET 1 H2 MET 1 20.097 -10.963 -6.140 3 H3 MET 1 H3 MET 1 20.107 -11.649 -4.585 4 HA MET 1 HA MET 1 22.270 -10.879 -4.845 5 1HB MET 1 1HB MET 1 22.758 -8.625 -5.732 6 2HB MET 1 2HB MET 1 21.831 -9.570 -6.898 7 1HG MET 1 1HG MET 1 19.740 -8.484 -6.003 8 2HG MET 1 2HG MET 1 20.768 -7.434 -5.028 9 1HE MET 1 1HE MET 1 18.555 -6.713 -7.250 10 2HE MET 1 2HE MET 1 19.356 -5.484 -6.275 11 3HE MET 1 3HE MET 1 19.288 -5.316 -8.035 12 H LYS 2 H LYS 2 19.528 -9.897 -3.245 13 HA LYS 2 HA LYS 2 20.957 -8.065 -1.376 14 1HB LYS 2 1HB LYS 2 18.678 -7.447 -2.206 15 2HB LYS 2 2HB LYS 2 18.037 -8.889 -1.419 16 1HG LYS 2 1HG LYS 2 18.841 -8.067 0.762 17 2HG LYS 2 2HG LYS 2 19.491 -6.624 -0.017 18 1HD LYS 2 1HD LYS 2 17.220 -6.006 -0.770 19 2HD LYS 2 2HD LYS 2 16.568 -7.447 0.014 20 1HE LYS 2 1HE LYS 2 17.347 -6.630 2.198 21 2HE LYS 2 2HE LYS 2 18.048 -5.207 1.429 22 1HZ LYS 2 1HZ LYS 2 15.257 -5.701 0.825 23 2HZ LYS 2 2HZ LYS 2 15.581 -5.290 2.439 24 3HZ LYS 2 3HZ LYS 2 16.053 -4.244 1.187 25 H ALA 3 H ALA 3 21.910 -8.960 0.358 26 HA ALA 3 HA ALA 3 21.264 -11.714 1.165 27 1HB ALA 3 1HB ALA 3 23.615 -10.670 1.089 28 2HB ALA 3 2HB ALA 3 23.200 -11.586 2.538 29 3HB ALA 3 3HB ALA 3 23.160 -9.823 2.568 30 H ILE 4 H ILE 4 20.425 -12.286 3.222 31 HA ILE 4 HA ILE 4 18.466 -10.487 4.316 32 HB ILE 4 HB ILE 4 19.667 -13.006 5.511 33 1HG1 ILE 4 1HG1 ILE 4 17.070 -12.666 3.977 34 2HG1 ILE 4 2HG1 ILE 4 18.570 -13.225 3.233 35 1HG2 ILE 4 1HG2 ILE 4 17.300 -11.278 6.237 36 2HG2 ILE 4 2HG2 ILE 4 17.325 -12.992 6.652 37 3HG2 ILE 4 3HG2 ILE 4 18.567 -11.914 7.284 38 1HD1 ILE 4 1HD1 ILE 4 17.220 -14.549 5.606 39 2HD1 ILE 4 2HD1 ILE 4 17.105 -15.116 3.939 40 3HD1 ILE 4 3HD1 ILE 4 18.662 -15.127 4.770 41 H PHE 5 H PHE 5 21.723 -11.469 5.359 42 HA PHE 5 HA PHE 5 21.671 -10.016 7.844 43 1HB PHE 5 1HB PHE 5 23.306 -11.804 7.392 44 2HB PHE 5 2HB PHE 5 24.020 -10.836 6.104 45 HD1 PHE 5 HD1 PHE 5 25.318 -8.818 6.611 46 HD2 PHE 5 HD2 PHE 5 23.653 -11.246 9.739 47 HE1 PHE 5 HE1 PHE 5 26.781 -7.689 8.265 48 HE2 PHE 5 HE2 PHE 5 25.113 -10.113 11.394 49 HZ PHE 5 HZ PHE 5 26.676 -8.336 10.657 50 H VAL 6 H VAL 6 21.328 -7.846 7.860 51 HA VAL 6 HA VAL 6 23.025 -6.138 6.092 52 HB VAL 6 HB VAL 6 20.043 -5.784 6.535 53 1HG1 VAL 6 1HG1 VAL 6 22.135 -4.144 5.086 54 2HG1 VAL 6 2HG1 VAL 6 20.404 -3.952 4.809 55 3HG1 VAL 6 3HG1 VAL 6 21.082 -3.625 6.403 56 1HG2 VAL 6 1HG2 VAL 6 21.687 -6.607 4.122 57 2HG2 VAL 6 2HG2 VAL 6 20.437 -7.553 4.931 58 3HG2 VAL 6 3HG2 VAL 6 20.000 -6.104 4.025 59 H LEU 7 H LEU 7 24.025 -4.597 7.290 60 HA LEU 7 HA LEU 7 23.465 -4.325 10.118 61 1HB LEU 7 1HB LEU 7 25.021 -2.146 9.600 62 2HB LEU 7 2HB LEU 7 25.685 -3.763 9.800 63 HG LEU 7 HG LEU 7 24.759 -2.926 7.057 64 1HD1 LEU 7 1HD1 LEU 7 27.309 -2.033 8.418 65 2HD1 LEU 7 2HD1 LEU 7 27.134 -2.095 6.664 66 3HD1 LEU 7 3HD1 LEU 7 26.099 -1.031 7.615 67 1HD2 LEU 7 1HD2 LEU 7 25.671 -5.266 7.823 68 2HD2 LEU 7 2HD2 LEU 7 26.277 -4.571 6.322 69 3HD2 LEU 7 3HD2 LEU 7 27.246 -4.477 7.791 70 H ASN 8 H ASN 8 22.093 -2.870 11.103 71 HA ASN 8 HA ASN 8 20.137 -1.476 9.574 72 1HB ASN 8 1HB ASN 8 19.531 -0.372 11.693 73 2HB ASN 8 2HB ASN 8 19.811 -2.094 11.948 74 2HD2 ASN 8 2HD2 ASN 8 21.267 -2.613 13.592 75 1HD2 ASN 8 1HD2 ASN 8 22.391 -1.535 14.267 76 H ALA 9 H ALA 9 20.066 0.642 8.815 77 HA ALA 9 HA ALA 9 22.068 2.607 9.631 78 1HB ALA 9 1HB ALA 9 23.393 1.274 8.046 79 2HB ALA 9 2HB ALA 9 22.135 1.460 6.823 80 3HB ALA 9 3HB ALA 9 23.051 2.865 7.367 81 H GLN 10 H GLN 10 21.658 4.710 8.596 82 HA GLN 10 HA GLN 10 18.811 5.116 8.112 83 1HB GLN 10 1HB GLN 10 19.479 7.510 7.818 84 2HB GLN 10 2HB GLN 10 20.067 6.821 9.331 85 1HG GLN 10 1HG GLN 10 22.257 6.347 8.178 86 2HG GLN 10 2HG GLN 10 21.653 7.238 6.782 87 2HE2 GLN 10 2HE2 GLN 10 23.952 8.069 8.399 88 1HE2 GLN 10 1HE2 GLN 10 23.548 9.554 9.112 89 H HIS 11 H HIS 11 21.565 4.444 6.193 90 HA HIS 11 HA HIS 11 20.698 5.719 3.747 91 1HB HIS 11 1HB HIS 11 22.580 3.380 4.187 92 2HB HIS 11 2HB HIS 11 22.417 4.294 2.686 93 HD1 HIS 11 HD1 HIS 11 23.683 4.598 6.218 94 HD2 HIS 11 HD2 HIS 11 23.643 6.860 2.715 95 HE1 HIS 11 HE1 HIS 11 25.249 6.549 6.608 96 H ASP 12 H ASP 12 20.312 2.435 5.091 97 HA ASP 12 HA ASP 12 18.514 1.749 2.786 98 1HB ASP 12 1HB ASP 12 20.083 0.018 4.709 99 2HB ASP 12 2HB ASP 12 18.888 -0.621 3.580 100 H GLU 13 H GLU 13 16.390 1.767 3.211 101 HA GLU 13 HA GLU 13 15.258 0.537 5.565 102 1HB GLU 13 1HB GLU 13 14.147 2.659 6.402 103 2HB GLU 13 2HB GLU 13 15.882 2.561 6.704 104 1HG GLU 13 1HG GLU 13 16.312 3.921 4.689 105 2HG GLU 13 2HG GLU 13 14.577 4.022 4.392 106 H ALA 14 H ALA 14 12.834 0.673 5.494 107 HA ALA 14 HA ALA 14 11.925 0.586 2.710 108 1HB ALA 14 1HB ALA 14 9.768 -0.120 3.697 109 2HB ALA 14 2HB ALA 14 11.105 -1.065 4.352 110 3HB ALA 14 3HB ALA 14 10.394 0.236 5.308 111 H VAL 15 H VAL 15 12.707 3.126 3.024 112 HA VAL 15 HA VAL 15 10.521 4.827 3.984 113 HB VAL 15 HB VAL 15 12.854 5.574 4.191 114 1HG1 VAL 15 1HG1 VAL 15 13.602 4.396 2.078 115 2HG1 VAL 15 2HG1 VAL 15 12.875 5.719 1.166 116 3HG1 VAL 15 3HG1 VAL 15 14.219 6.037 2.263 117 1HG2 VAL 15 1HG2 VAL 15 10.870 7.175 3.729 118 2HG2 VAL 15 2HG2 VAL 15 12.499 7.810 3.509 119 3HG2 VAL 15 3HG2 VAL 15 11.544 7.326 2.107 120 H ASP 16 H ASP 16 11.111 3.076 1.169 121 HA ASP 16 HA ASP 16 10.356 4.702 -0.964 122 1HB ASP 16 1HB ASP 16 10.920 2.261 -1.109 123 2HB ASP 16 2HB ASP 16 9.316 1.897 -0.470 124 H ALA 17 H ALA 17 8.699 6.137 -0.990 125 HA ALA 17 HA ALA 17 6.107 5.390 0.326 126 1HB ALA 17 1HB ALA 17 7.055 7.398 1.273 127 2HB ALA 17 2HB ALA 17 7.334 8.080 -0.330 128 3HB ALA 17 3HB ALA 17 5.686 7.870 0.265 129 H ASN 18 H ASN 18 7.256 4.931 -2.570 130 HA ASN 18 HA ASN 18 5.123 6.332 -4.114 131 1HB ASN 18 1HB ASN 18 7.543 4.711 -4.945 132 2HB ASN 18 2HB ASN 18 6.341 5.321 -6.086 133 2HD2 ASN 18 2HD2 ASN 18 5.787 7.844 -4.948 134 1HD2 ASN 18 1HD2 ASN 18 7.185 8.806 -5.016 135 H SER 19 H SER 19 6.298 3.059 -3.366 136 HA SER 19 HA SER 19 4.138 1.783 -4.850 137 1HB SER 19 1HB SER 19 6.056 0.670 -2.788 138 2HB SER 19 2HB SER 19 4.998 -0.291 -3.815 139 HG SER 19 HG SER 19 6.223 0.157 -5.516 140 H LEU 20 H LEU 20 4.915 2.054 -1.358 141 HA LEU 20 HA LEU 20 2.499 0.883 -0.421 142 1HB LEU 20 1HB LEU 20 4.342 2.941 0.826 143 2HB LEU 20 2HB LEU 20 2.995 2.211 1.697 144 HG LEU 20 HG LEU 20 5.009 0.424 0.331 145 1HD1 LEU 20 1HD1 LEU 20 5.350 1.827 2.997 146 2HD1 LEU 20 2HD1 LEU 20 6.252 0.382 2.538 147 3HD1 LEU 20 3HD1 LEU 20 6.445 1.872 1.616 148 1HD2 LEU 20 1HD2 LEU 20 2.939 -0.534 1.338 149 2HD2 LEU 20 2HD2 LEU 20 4.385 -1.089 2.177 150 3HD2 LEU 20 3HD2 LEU 20 3.383 0.174 2.889 151 H ALA 21 H ALA 21 3.317 4.323 -0.910 152 HA ALA 21 HA ALA 21 0.791 5.333 -0.125 153 1HB ALA 21 1HB ALA 21 2.542 6.579 -2.244 154 2HB ALA 21 2HB ALA 21 2.948 6.636 -0.528 155 3HB ALA 21 3HB ALA 21 1.466 7.393 -1.108 156 H GLU 22 H GLU 22 2.001 4.581 -3.421 157 HA GLU 22 HA GLU 22 -0.419 5.294 -4.741 158 1HB GLU 22 1HB GLU 22 1.733 4.855 -5.914 159 2HB GLU 22 2HB GLU 22 1.556 3.138 -5.549 160 1HG GLU 22 1HG GLU 22 -0.559 3.081 -6.808 161 2HG GLU 22 2HG GLU 22 -0.394 4.798 -7.172 162 H ALA 23 H ALA 23 0.644 2.107 -3.495 163 HA ALA 23 HA ALA 23 -1.710 0.701 -4.279 164 1HB ALA 23 1HB ALA 23 -1.113 -0.865 -2.404 165 2HB ALA 23 2HB ALA 23 0.241 -0.520 -3.480 166 3HB ALA 23 3HB ALA 23 0.137 0.276 -1.909 167 H LYS 24 H LYS 24 -0.887 2.392 -1.250 168 HA LYS 24 HA LYS 24 -3.455 1.927 -0.022 169 1HB LYS 24 1HB LYS 24 -1.259 3.944 0.499 170 2HB LYS 24 2HB LYS 24 -2.693 3.781 1.514 171 1HG LYS 24 1HG LYS 24 -2.144 1.417 1.934 172 2HG LYS 24 2HG LYS 24 -0.711 1.568 0.918 173 1HD LYS 24 1HD LYS 24 0.194 3.292 2.419 174 2HD LYS 24 2HD LYS 24 -1.238 3.166 3.436 175 1HE LYS 24 1HE LYS 24 -0.714 0.894 4.024 176 2HE LYS 24 2HE LYS 24 0.583 0.828 2.831 177 1HZ LYS 24 1HZ LYS 24 1.267 2.971 4.298 178 2HZ LYS 24 2HZ LYS 24 0.566 1.973 5.480 179 3HZ LYS 24 3HZ LYS 24 1.866 1.402 4.553 180 H VAL 25 H VAL 25 -2.102 4.640 -1.915 181 HA VAL 25 HA VAL 25 -4.364 6.360 -1.533 182 HB VAL 25 HB VAL 25 -2.267 6.269 -3.708 183 1HG1 VAL 25 1HG1 VAL 25 -4.592 8.147 -3.262 184 2HG1 VAL 25 2HG1 VAL 25 -3.134 8.680 -4.100 185 3HG1 VAL 25 3HG1 VAL 25 -4.093 7.354 -4.756 186 1HG2 VAL 25 1HG2 VAL 25 -1.811 6.917 -1.180 187 2HG2 VAL 25 2HG2 VAL 25 -1.144 7.913 -2.473 188 3HG2 VAL 25 3HG2 VAL 25 -2.603 8.424 -1.626 189 H LEU 26 H LEU 26 -3.505 4.155 -4.219 190 HA LEU 26 HA LEU 26 -5.922 4.650 -5.691 191 1HB LEU 26 1HB LEU 26 -4.075 2.242 -5.681 192 2HB LEU 26 2HB LEU 26 -5.361 2.502 -6.856 193 HG LEU 26 HG LEU 26 -2.988 4.336 -6.393 194 1HD1 LEU 26 1HD1 LEU 26 -2.552 2.099 -7.495 195 2HD1 LEU 26 2HD1 LEU 26 -3.646 2.595 -8.784 196 3HD1 LEU 26 3HD1 LEU 26 -2.159 3.498 -8.496 197 1HD2 LEU 26 1HD2 LEU 26 -5.471 4.543 -8.086 198 2HD2 LEU 26 2HD2 LEU 26 -4.603 5.806 -7.213 199 3HD2 LEU 26 3HD2 LEU 26 -3.959 5.187 -8.731 200 H ALA 27 H ALA 27 -5.061 2.208 -3.245 201 HA ALA 27 HA ALA 27 -7.570 0.783 -3.456 202 1HB ALA 27 1HB ALA 27 -5.528 -0.221 -2.470 203 2HB ALA 27 2HB ALA 27 -5.622 0.927 -1.134 204 3HB ALA 27 3HB ALA 27 -6.886 -0.283 -1.349 205 H ASN 28 H ASN 28 -6.378 3.362 -1.324 206 HA ASN 28 HA ASN 28 -8.630 3.508 0.404 207 1HB ASN 28 1HB ASN 28 -6.506 4.667 0.848 208 2HB ASN 28 2HB ASN 28 -6.791 5.730 -0.528 209 2HD2 ASN 28 2HD2 ASN 28 -6.520 6.744 2.156 210 1HD2 ASN 28 1HD2 ASN 28 -8.013 7.404 2.619 211 H ARG 29 H ARG 29 -8.012 5.071 -2.727 212 HA ARG 29 HA ARG 29 -10.414 6.665 -2.685 213 1HB ARG 29 1HB ARG 29 -8.610 5.749 -4.938 214 2HB ARG 29 2HB ARG 29 -9.977 6.838 -5.175 215 1HG ARG 29 1HG ARG 29 -9.014 8.408 -3.544 216 2HG ARG 29 2HG ARG 29 -7.640 7.334 -3.307 217 1HD ARG 29 1HD ARG 29 -7.184 7.516 -5.779 218 2HD ARG 29 2HD ARG 29 -8.420 8.764 -5.869 219 HE ARG 29 HE ARG 29 -5.694 9.098 -5.009 220 1HH1 ARG 29 1HH1 ARG 29 -5.009 10.813 -3.743 221 2HH1 ARG 29 2HH1 ARG 29 -6.180 11.806 -2.942 222 1HH2 ARG 29 1HH2 ARG 29 -8.903 10.054 -4.163 223 2HH2 ARG 29 2HH2 ARG 29 -8.376 11.373 -3.174 224 H GLU 30 H GLU 30 -9.680 3.388 -3.752 225 HA GLU 30 HA GLU 30 -12.008 2.928 -5.316 226 1HB GLU 30 1HB GLU 30 -10.093 1.368 -5.238 227 2HB GLU 30 2HB GLU 30 -10.486 0.973 -3.565 228 1HG GLU 30 1HG GLU 30 -12.682 0.106 -4.275 229 2HG GLU 30 2HG GLU 30 -12.306 0.516 -5.949 230 H LEU 31 H LEU 31 -11.483 2.656 -1.809 231 HA LEU 31 HA LEU 31 -14.060 1.543 -1.192 232 1HB LEU 31 1HB LEU 31 -12.515 3.424 0.611 233 2HB LEU 31 2HB LEU 31 -13.576 2.093 1.077 234 HG LEU 31 HG LEU 31 -10.875 1.901 -0.262 235 1HD1 LEU 31 1HD1 LEU 31 -11.951 0.956 2.415 236 2HD1 LEU 31 2HD1 LEU 31 -10.336 0.608 1.802 237 3HD1 LEU 31 3HD1 LEU 31 -10.803 2.271 2.158 238 1HD2 LEU 31 1HD2 LEU 31 -13.033 -0.169 0.219 239 2HD2 LEU 31 2HD2 LEU 31 -12.154 0.167 -1.272 240 3HD2 LEU 31 3HD2 LEU 31 -11.337 -0.628 0.072 241 H ASP 32 H ASP 32 -12.838 4.836 -1.465 242 HA ASP 32 HA ASP 32 -15.134 6.224 -0.550 243 1HB ASP 32 1HB ASP 32 -12.927 7.264 -0.939 244 2HB ASP 32 2HB ASP 32 -13.126 7.025 -2.674 245 H LYS 33 H LYS 33 -14.282 4.994 -3.778 246 HA LYS 33 HA LYS 33 -16.460 6.144 -5.207 247 1HB LYS 33 1HB LYS 33 -14.545 5.030 -6.309 248 2HB LYS 33 2HB LYS 33 -15.084 3.480 -5.665 249 1HG LYS 33 1HG LYS 33 -17.119 3.563 -6.948 250 2HG LYS 33 2HG LYS 33 -16.811 5.231 -7.430 251 1HD LYS 33 1HD LYS 33 -16.216 3.765 -9.280 252 2HD LYS 33 2HD LYS 33 -14.742 4.461 -8.609 253 1HE LYS 33 1HE LYS 33 -14.145 2.447 -7.524 254 2HE LYS 33 2HE LYS 33 -15.774 1.785 -7.664 255 1HZ LYS 33 1HZ LYS 33 -15.343 2.004 -10.176 256 2HZ LYS 33 2HZ LYS 33 -13.703 2.072 -9.738 257 3HZ LYS 33 3HZ LYS 33 -14.631 0.711 -9.335 258 H TYR 34 H TYR 34 -16.175 2.942 -3.641 259 HA TYR 34 HA TYR 34 -18.921 2.217 -4.162 260 1HB TYR 34 1HB TYR 34 -16.867 1.156 -2.209 261 2HB TYR 34 2HB TYR 34 -18.473 0.451 -2.402 262 HD1 TYR 34 HD1 TYR 34 -15.123 0.348 -3.561 263 HD2 TYR 34 HD2 TYR 34 -19.186 -0.047 -4.899 264 HE1 TYR 34 HE1 TYR 34 -14.349 -0.918 -5.550 265 HE2 TYR 34 HE2 TYR 34 -18.410 -1.312 -6.885 266 HH TYR 34 HH TYR 34 -15.030 -1.566 -7.693 267 H GLY 35 H GLY 35 -17.272 3.819 -1.472 268 1HA GLY 35 1HA GLY 35 -19.914 4.677 -0.435 269 2HA GLY 35 2HA GLY 35 -18.348 5.324 0.056 270 H VAL 36 H VAL 36 -17.198 2.630 0.450 271 HA VAL 36 HA VAL 36 -18.781 1.199 2.393 272 HB VAL 36 HB VAL 36 -15.766 1.083 2.365 273 1HG1 VAL 36 1HG1 VAL 36 -17.980 -0.988 2.545 274 2HG1 VAL 36 2HG1 VAL 36 -16.260 -1.365 2.536 275 3HG1 VAL 36 3HG1 VAL 36 -16.949 -0.438 3.864 276 1HG2 VAL 36 1HG2 VAL 36 -17.637 0.223 0.151 277 2HG2 VAL 36 2HG2 VAL 36 -16.169 1.191 0.024 278 3HG2 VAL 36 3HG2 VAL 36 -16.059 -0.532 0.382 279 H SER 37 H SER 37 -17.639 0.908 4.730 280 HA SER 37 HA SER 37 -18.007 3.362 6.111 281 1HB SER 37 1HB SER 37 -18.185 1.170 7.226 282 2HB SER 37 2HB SER 37 -16.458 0.912 7.003 283 HG SER 37 HG SER 37 -17.596 2.079 9.013 284 H ASP 38 H ASP 38 -16.594 4.942 6.778 285 HA ASP 38 HA ASP 38 -14.171 5.353 5.308 286 1HB ASP 38 1HB ASP 38 -15.634 7.130 6.381 287 2HB ASP 38 2HB ASP 38 -14.933 6.666 7.930 288 H TYR 39 H TYR 39 -14.846 3.607 8.211 289 HA TYR 39 HA TYR 39 -12.337 3.772 9.532 290 1HB TYR 39 1HB TYR 39 -14.220 2.735 10.637 291 2HB TYR 39 2HB TYR 39 -14.349 1.511 9.372 292 HD1 TYR 39 HD1 TYR 39 -12.749 -0.297 9.192 293 HD2 TYR 39 HD2 TYR 39 -12.411 2.644 12.300 294 HE1 TYR 39 HE1 TYR 39 -11.122 -1.734 10.366 295 HE2 TYR 39 HE2 TYR 39 -10.778 1.201 13.486 296 HH TYR 39 HH TYR 39 -10.176 -2.080 12.508 297 H TYR 40 H TYR 40 -13.410 1.636 6.901 298 HA TYR 40 HA TYR 40 -11.158 -0.078 6.840 299 1HB TYR 40 1HB TYR 40 -12.989 0.856 4.619 300 2HB TYR 40 2HB TYR 40 -11.773 -0.404 4.411 301 HD1 TYR 40 HD1 TYR 40 -11.800 -2.278 6.322 302 HD2 TYR 40 HD2 TYR 40 -15.147 0.182 5.224 303 HE1 TYR 40 HE1 TYR 40 -13.352 -3.955 7.286 304 HE2 TYR 40 HE2 TYR 40 -16.697 -1.495 6.191 305 HH TYR 40 HH TYR 40 -16.661 -3.297 7.835 306 H LYS 41 H LYS 41 -11.576 3.147 5.328 307 HA LYS 41 HA LYS 41 -9.177 2.949 3.774 308 1HB LYS 41 1HB LYS 41 -9.624 5.107 3.092 309 2HB LYS 41 2HB LYS 41 -11.196 4.732 3.783 310 1HG LYS 41 1HG LYS 41 -10.608 5.897 5.853 311 2HG LYS 41 2HG LYS 41 -8.964 6.161 5.284 312 1HD LYS 41 1HD LYS 41 -10.394 8.172 4.994 313 2HD LYS 41 2HD LYS 41 -9.746 7.567 3.472 314 1HE LYS 41 1HE LYS 41 -11.819 6.735 2.769 315 2HE LYS 41 2HE LYS 41 -12.453 6.646 4.411 316 1HZ LYS 41 1HZ LYS 41 -11.840 9.158 2.953 317 2HZ LYS 41 2HZ LYS 41 -13.390 8.499 3.146 318 3HZ LYS 41 3HZ LYS 41 -12.523 9.038 4.504 319 H ASN 42 H ASN 42 -9.837 4.056 7.068 320 HA ASN 42 HA ASN 42 -7.227 5.040 7.619 321 1HB ASN 42 1HB ASN 42 -9.306 3.771 9.424 322 2HB ASN 42 2HB ASN 42 -7.815 4.495 10.028 323 2HD2 ASN 42 2HD2 ASN 42 -8.461 6.328 7.380 324 1HD2 ASN 42 1HD2 ASN 42 -9.420 7.541 8.079 325 H LEU 43 H LEU 43 -8.641 1.809 7.798 326 HA LEU 43 HA LEU 43 -6.390 0.475 8.938 327 1HB LEU 43 1HB LEU 43 -8.634 -0.550 8.765 328 2HB LEU 43 2HB LEU 43 -8.491 -0.573 7.010 329 HG LEU 43 HG LEU 43 -6.538 -2.072 7.187 330 1HD1 LEU 43 1HD1 LEU 43 -6.989 -1.615 10.129 331 2HD1 LEU 43 2HD1 LEU 43 -6.300 -3.144 9.586 332 3HD1 LEU 43 3HD1 LEU 43 -5.475 -1.632 9.223 333 1HD2 LEU 43 1HD2 LEU 43 -9.000 -2.875 7.179 334 2HD2 LEU 43 2HD2 LEU 43 -7.771 -4.040 7.673 335 3HD2 LEU 43 3HD2 LEU 43 -8.753 -3.224 8.891 336 H ILE 44 H ILE 44 -7.277 1.252 5.597 337 HA ILE 44 HA ILE 44 -5.145 -0.144 4.304 338 HB ILE 44 HB ILE 44 -6.602 2.391 3.497 339 1HG1 ILE 44 1HG1 ILE 44 -7.874 0.137 3.808 340 2HG1 ILE 44 2HG1 ILE 44 -8.114 1.039 2.319 341 1HG2 ILE 44 1HG2 ILE 44 -4.682 0.612 1.989 342 2HG2 ILE 44 2HG2 ILE 44 -5.817 1.684 1.170 343 3HG2 ILE 44 3HG2 ILE 44 -4.584 2.355 2.238 344 1HD1 ILE 44 1HD1 ILE 44 -5.921 -1.004 2.349 345 2HD1 ILE 44 2HD1 ILE 44 -7.585 -1.577 2.289 346 3HD1 ILE 44 3HD1 ILE 44 -6.978 -0.504 1.032 347 H ASN 45 H ASN 45 -5.369 3.110 5.675 348 HA ASN 45 HA ASN 45 -2.891 4.116 4.743 349 1HB ASN 45 1HB ASN 45 -4.461 4.704 7.261 350 2HB ASN 45 2HB ASN 45 -3.022 5.610 6.787 351 2HD2 ASN 45 2HD2 ASN 45 -5.699 6.766 6.951 352 1HD2 ASN 45 1HD2 ASN 45 -6.131 7.253 5.383 353 H ASN 46 H ASN 46 -3.640 2.185 7.643 354 HA ASN 46 HA ASN 46 -0.722 2.087 8.285 355 1HB ASN 46 1HB ASN 46 -1.374 1.268 10.458 356 2HB ASN 46 2HB ASN 46 -2.361 2.680 10.089 357 2HD2 ASN 46 2HD2 ASN 46 -3.694 1.398 11.881 358 1HD2 ASN 46 1HD2 ASN 46 -4.854 0.314 11.281 359 H ALA 47 H ALA 47 -2.118 0.549 6.055 360 HA ALA 47 HA ALA 47 -2.438 -2.170 6.700 361 1HB ALA 47 1HB ALA 47 -2.638 -0.900 4.397 362 2HB ALA 47 2HB ALA 47 -0.964 -1.412 4.184 363 3HB ALA 47 3HB ALA 47 -2.232 -2.616 4.415 364 H LYS 48 H LYS 48 -1.021 -3.826 7.149 365 HA LYS 48 HA LYS 48 1.530 -3.226 8.231 366 1HB LYS 48 1HB LYS 48 0.225 -5.252 8.798 367 2HB LYS 48 2HB LYS 48 0.519 -5.878 7.176 368 1HG LYS 48 1HG LYS 48 2.889 -6.000 7.565 369 2HG LYS 48 2HG LYS 48 2.739 -5.118 9.083 370 1HD LYS 48 1HD LYS 48 2.967 -7.460 9.628 371 2HD LYS 48 2HD LYS 48 1.299 -6.993 9.950 372 1HE LYS 48 1HE LYS 48 2.062 -8.150 7.272 373 2HE LYS 48 2HE LYS 48 1.740 -9.205 8.646 374 1HZ LYS 48 1HZ LYS 48 -0.295 -7.350 8.634 375 2HZ LYS 48 2HZ LYS 48 -0.096 -7.795 7.009 376 3HZ LYS 48 3HZ LYS 48 -0.398 -8.985 8.183 377 H THR 49 H THR 49 0.642 -4.443 5.006 378 HA THR 49 HA THR 49 3.152 -3.396 3.929 379 HB THR 49 HB THR 49 2.732 -6.340 3.441 380 HG1 THR 49 HG1 THR 49 2.786 -6.388 5.602 381 1HG2 THR 49 1HG2 THR 49 5.179 -4.557 3.642 382 2HG2 THR 49 2HG2 THR 49 5.199 -6.274 3.238 383 3HG2 THR 49 3HG2 THR 49 4.430 -5.119 2.147 384 H VAL 50 H VAL 50 3.237 -3.894 1.494 385 HA VAL 50 HA VAL 50 0.801 -3.090 0.260 386 HB VAL 50 HB VAL 50 3.244 -4.451 -0.882 387 1HG1 VAL 50 1HG1 VAL 50 0.824 -3.244 -2.226 388 2HG1 VAL 50 2HG1 VAL 50 2.367 -3.422 -3.060 389 3HG1 VAL 50 3HG1 VAL 50 1.516 -4.848 -2.469 390 1HG2 VAL 50 1HG2 VAL 50 2.339 -1.568 -0.695 391 2HG2 VAL 50 2HG2 VAL 50 3.770 -2.289 0.042 392 3HG2 VAL 50 3HG2 VAL 50 3.682 -2.097 -1.708 393 H GLU 51 H GLU 51 2.270 -6.310 0.665 394 HA GLU 51 HA GLU 51 0.419 -7.745 -0.952 395 1HB GLU 51 1HB GLU 51 1.956 -8.576 1.527 396 2HB GLU 51 2HB GLU 51 1.018 -9.701 0.544 397 1HG GLU 51 1HG GLU 51 2.374 -9.113 -1.432 398 2HG GLU 51 2HG GLU 51 3.316 -7.989 -0.450 399 H GLY 52 H GLY 52 0.320 -6.744 2.436 400 1HA GLY 52 1HA GLY 52 -1.457 -6.717 3.968 401 2HA GLY 52 2HA GLY 52 -2.172 -8.048 3.053 402 H VAL 53 H VAL 53 -1.312 -4.916 1.628 403 HA VAL 53 HA VAL 53 -3.887 -3.691 1.888 404 HB VAL 53 HB VAL 53 -1.677 -3.309 -0.148 405 1HG1 VAL 53 1HG1 VAL 53 -4.292 -1.828 0.222 406 2HG1 VAL 53 2HG1 VAL 53 -2.905 -1.122 -0.607 407 3HG1 VAL 53 3HG1 VAL 53 -3.674 -2.571 -1.255 408 1HG2 VAL 53 1HG2 VAL 53 -1.247 -2.694 2.240 409 2HG2 VAL 53 2HG2 VAL 53 -1.218 -1.301 1.159 410 3HG2 VAL 53 3HG2 VAL 53 -2.630 -1.603 2.170 411 H LYS 54 H LYS 54 -2.489 -5.587 -0.823 412 HA LYS 54 HA LYS 54 -4.886 -5.532 -2.410 413 1HB LYS 54 1HB LYS 54 -2.573 -6.136 -3.233 414 2HB LYS 54 2HB LYS 54 -2.759 -7.692 -2.423 415 1HG LYS 54 1HG LYS 54 -4.839 -8.091 -3.746 416 2HG LYS 54 2HG LYS 54 -4.544 -6.587 -4.615 417 1HD LYS 54 1HD LYS 54 -2.558 -8.877 -4.504 418 2HD LYS 54 2HD LYS 54 -3.724 -8.663 -5.807 419 1HE LYS 54 1HE LYS 54 -2.734 -6.276 -6.034 420 2HE LYS 54 2HE LYS 54 -1.393 -6.895 -5.069 421 1HZ LYS 54 1HZ LYS 54 -2.157 -8.645 -7.210 422 2HZ LYS 54 2HZ LYS 54 -1.629 -7.125 -7.752 423 3HZ LYS 54 3HZ LYS 54 -0.622 -8.076 -6.769 424 H ALA 55 H ALA 55 -3.658 -7.823 0.016 425 HA ALA 55 HA ALA 55 -5.779 -9.747 -0.334 426 1HB ALA 55 1HB ALA 55 -5.046 -10.555 1.931 427 2HB ALA 55 2HB ALA 55 -3.943 -9.182 2.010 428 3HB ALA 55 3HB ALA 55 -3.726 -10.417 0.770 429 H LEU 56 H LEU 56 -5.337 -6.915 1.703 430 HA LEU 56 HA LEU 56 -7.590 -7.244 3.395 431 1HB LEU 56 1HB LEU 56 -5.873 -5.585 3.882 432 2HB LEU 56 2HB LEU 56 -6.231 -4.725 2.387 433 HG LEU 56 HG LEU 56 -8.459 -4.149 3.204 434 1HD1 LEU 56 1HD1 LEU 56 -7.678 -5.973 5.482 435 2HD1 LEU 56 2HD1 LEU 56 -8.885 -4.710 5.716 436 3HD1 LEU 56 3HD1 LEU 56 -9.160 -5.978 4.525 437 1HD2 LEU 56 1HD2 LEU 56 -6.386 -2.813 3.874 438 2HD2 LEU 56 2HD2 LEU 56 -7.805 -2.586 4.897 439 3HD2 LEU 56 3HD2 LEU 56 -6.485 -3.624 5.437 440 H ILE 57 H ILE 57 -7.261 -5.457 0.324 441 HA ILE 57 HA ILE 57 -10.045 -4.751 0.156 442 HB ILE 57 HB ILE 57 -8.016 -5.090 -2.070 443 1HG1 ILE 57 1HG1 ILE 57 -7.220 -3.438 -0.462 444 2HG1 ILE 57 2HG1 ILE 57 -7.810 -2.594 -1.890 445 1HG2 ILE 57 1HG2 ILE 57 -10.739 -3.802 -1.942 446 2HG2 ILE 57 2HG2 ILE 57 -9.567 -3.404 -3.198 447 3HG2 ILE 57 3HG2 ILE 57 -10.170 -5.053 -3.045 448 1HD1 ILE 57 1HD1 ILE 57 -10.081 -2.506 -0.540 449 2HD1 ILE 57 2HD1 ILE 57 -9.029 -2.762 0.850 450 3HD1 ILE 57 3HD1 ILE 57 -8.798 -1.353 -0.182 451 H ASP 58 H ASP 58 -8.136 -7.486 -1.080 452 HA ASP 58 HA ASP 58 -10.198 -8.643 -2.679 453 1HB ASP 58 1HB ASP 58 -7.926 -9.929 -1.149 454 2HB ASP 58 2HB ASP 58 -8.970 -10.813 -2.256 455 H GLU 59 H GLU 59 -9.469 -8.975 0.781 456 HA GLU 59 HA GLU 59 -11.522 -10.949 1.265 457 1HB GLU 59 1HB GLU 59 -9.880 -9.115 3.007 458 2HB GLU 59 2HB GLU 59 -11.213 -10.034 3.701 459 1HG GLU 59 1HG GLU 59 -8.959 -11.176 3.847 460 2HG GLU 59 2HG GLU 59 -10.213 -12.126 3.053 461 H ILE 60 H ILE 60 -11.345 -7.419 1.456 462 HA ILE 60 HA ILE 60 -13.986 -7.078 2.522 463 HB ILE 60 HB ILE 60 -12.194 -5.218 0.946 464 1HG1 ILE 60 1HG1 ILE 60 -12.921 -5.176 3.883 465 2HG1 ILE 60 2HG1 ILE 60 -11.522 -6.062 3.270 466 1HG2 ILE 60 1HG2 ILE 60 -14.857 -4.752 2.305 467 2HG2 ILE 60 2HG2 ILE 60 -13.732 -3.443 1.946 468 3HG2 ILE 60 3HG2 ILE 60 -14.422 -4.398 0.634 469 1HD1 ILE 60 1HD1 ILE 60 -12.024 -3.100 2.854 470 2HD1 ILE 60 2HD1 ILE 60 -10.906 -3.781 4.034 471 3HD1 ILE 60 3HD1 ILE 60 -10.609 -3.999 2.309 472 H LEU 61 H LEU 61 -12.706 -6.828 -0.809 473 HA LEU 61 HA LEU 61 -15.262 -6.385 -2.024 474 1HB LEU 61 1HB LEU 61 -12.684 -7.536 -3.137 475 2HB LEU 61 2HB LEU 61 -14.104 -7.216 -4.131 476 HG LEU 61 HG LEU 61 -12.560 -5.164 -2.512 477 1HD1 LEU 61 1HD1 LEU 61 -11.507 -6.113 -4.632 478 2HD1 LEU 61 2HD1 LEU 61 -12.854 -5.398 -5.515 479 3HD1 LEU 61 3HD1 LEU 61 -11.743 -4.364 -4.619 480 1HD2 LEU 61 1HD2 LEU 61 -15.154 -5.048 -4.031 481 2HD2 LEU 61 2HD2 LEU 61 -14.686 -4.213 -2.551 482 3HD2 LEU 61 3HD2 LEU 61 -14.087 -3.646 -4.103 483 H ALA 62 H ALA 62 -13.439 -9.335 -1.310 484 HA ALA 62 HA ALA 62 -15.019 -11.213 -2.669 485 1HB ALA 62 1HB ALA 62 -13.690 -11.447 0.045 486 2HB ALA 62 2HB ALA 62 -14.339 -12.813 -0.862 487 3HB ALA 62 3HB ALA 62 -12.989 -11.883 -1.514 488 H ALA 63 H ALA 63 -15.896 -9.237 0.046 489 HA ALA 63 HA ALA 63 -18.030 -10.970 1.003 490 1HB ALA 63 1HB ALA 63 -17.119 -9.349 2.547 491 2HB ALA 63 2HB ALA 63 -17.441 -8.028 1.425 492 3HB ALA 63 3HB ALA 63 -18.781 -8.872 2.199 493 H LEU 64 H LEU 64 -18.079 -7.824 -0.690 494 HA LEU 64 HA LEU 64 -20.845 -8.149 -1.457 495 1HB LEU 64 1HB LEU 64 -19.960 -6.199 -3.145 496 2HB LEU 64 2HB LEU 64 -20.392 -5.890 -1.469 497 HG LEU 64 HG LEU 64 -17.574 -6.761 -2.072 498 1HD1 LEU 64 1HD1 LEU 64 -18.735 -4.021 -2.613 499 2HD1 LEU 64 2HD1 LEU 64 -17.017 -4.283 -2.311 500 3HD1 LEU 64 3HD1 LEU 64 -17.791 -5.035 -3.706 501 1HD2 LEU 64 1HD2 LEU 64 -18.596 -6.346 0.269 502 2HD2 LEU 64 2HD2 LEU 64 -17.070 -5.541 -0.088 503 3HD2 LEU 64 3HD2 LEU 64 -18.581 -4.638 -0.161 504 HA PRO 65 HA PRO 65 -20.352 -10.629 -5.099 505 1HB PRO 65 1HB PRO 65 -22.012 -9.175 -6.887 506 2HB PRO 65 2HB PRO 65 -22.519 -10.475 -5.802 507 1HG PRO 65 1HG PRO 65 -22.915 -7.555 -5.529 508 2HG PRO 65 2HG PRO 65 -23.824 -8.882 -4.796 509 1HD PRO 65 1HD PRO 65 -22.010 -7.241 -3.432 510 2HD PRO 65 2HD PRO 65 -22.538 -8.851 -2.881 No H/Q in entry = 510 Start of MODEL 9 1 H1 MET 1 H1 MET 1 22.374 14.505 6.424 2 H2 MET 1 H2 MET 1 22.873 15.616 7.609 3 H3 MET 1 H3 MET 1 22.719 16.113 5.994 4 HA MET 1 HA MET 1 24.601 14.957 5.305 5 1HB MET 1 1HB MET 1 25.046 16.041 8.101 6 2HB MET 1 2HB MET 1 26.350 15.599 7.000 7 1HG MET 1 1HG MET 1 25.485 17.221 5.338 8 2HG MET 1 2HG MET 1 24.204 17.674 6.462 9 1HE MET 1 1HE MET 1 27.766 17.060 5.888 10 2HE MET 1 2HE MET 1 27.949 18.757 5.427 11 3HE MET 1 3HE MET 1 28.697 18.157 6.904 12 H LYS 2 H LYS 2 24.745 12.751 5.116 13 HA LYS 2 HA LYS 2 24.472 11.006 7.450 14 1HB LYS 2 1HB LYS 2 24.855 9.189 5.854 15 2HB LYS 2 2HB LYS 2 23.669 10.320 5.202 16 1HG LYS 2 1HG LYS 2 25.644 11.483 4.044 17 2HG LYS 2 2HG LYS 2 26.589 10.056 4.460 18 1HD LYS 2 1HD LYS 2 23.976 9.934 2.926 19 2HD LYS 2 2HD LYS 2 25.555 10.004 2.148 20 1HE LYS 2 1HE LYS 2 24.543 7.835 4.008 21 2HE LYS 2 2HE LYS 2 24.892 7.682 2.290 22 1HZ LYS 2 1HZ LYS 2 27.226 8.496 2.999 23 2HZ LYS 2 2HZ LYS 2 26.763 7.963 4.540 24 3HZ LYS 2 3HZ LYS 2 26.798 6.870 3.241 25 H ALA 3 H ALA 3 26.140 10.184 8.652 26 HA ALA 3 HA ALA 3 28.847 9.966 7.610 27 1HB ALA 3 1HB ALA 3 28.318 12.023 9.776 28 2HB ALA 3 2HB ALA 3 28.709 12.408 8.101 29 3HB ALA 3 3HB ALA 3 29.893 11.584 9.115 30 H ILE 4 H ILE 4 26.399 9.228 9.780 31 HA ILE 4 HA ILE 4 28.202 8.040 11.820 32 HB ILE 4 HB ILE 4 26.060 7.435 12.959 33 1HG1 ILE 4 1HG1 ILE 4 24.767 9.043 10.734 34 2HG1 ILE 4 2HG1 ILE 4 24.715 7.284 10.829 35 1HG2 ILE 4 1HG2 ILE 4 26.375 10.329 12.111 36 2HG2 ILE 4 2HG2 ILE 4 25.419 9.781 13.487 37 3HG2 ILE 4 3HG2 ILE 4 27.168 9.551 13.480 38 1HD1 ILE 4 1HD1 ILE 4 23.676 7.484 13.097 39 2HD1 ILE 4 2HD1 ILE 4 23.607 9.231 12.872 40 3HD1 ILE 4 3HD1 ILE 4 22.678 8.169 11.814 41 H PHE 5 H PHE 5 27.993 5.741 12.356 42 HA PHE 5 HA PHE 5 28.131 4.033 10.083 43 1HB PHE 5 1HB PHE 5 29.074 3.643 12.439 44 2HB PHE 5 2HB PHE 5 27.453 3.115 12.887 45 HD1 PHE 5 HD1 PHE 5 26.936 0.836 12.649 46 HD2 PHE 5 HD2 PHE 5 30.004 2.565 10.186 47 HE1 PHE 5 HE1 PHE 5 27.396 -1.388 11.659 48 HE2 PHE 5 HE2 PHE 5 30.465 0.337 9.201 49 HZ PHE 5 HZ PHE 5 29.160 -1.639 9.934 50 H VAL 6 H VAL 6 26.114 2.285 12.052 51 HA VAL 6 HA VAL 6 23.569 3.249 10.913 52 HB VAL 6 HB VAL 6 23.169 0.767 10.096 53 1HG1 VAL 6 1HG1 VAL 6 23.338 2.860 8.655 54 2HG1 VAL 6 2HG1 VAL 6 25.055 2.496 8.475 55 3HG1 VAL 6 3HG1 VAL 6 23.845 1.364 7.872 56 1HG2 VAL 6 1HG2 VAL 6 25.358 -0.015 11.048 57 2HG2 VAL 6 2HG2 VAL 6 25.177 -0.356 9.327 58 3HG2 VAL 6 3HG2 VAL 6 26.176 0.993 9.854 59 H LEU 7 H LEU 7 22.337 3.271 12.742 60 HA LEU 7 HA LEU 7 21.757 0.815 14.130 61 1HB LEU 7 1HB LEU 7 22.673 1.371 16.335 62 2HB LEU 7 2HB LEU 7 23.956 1.248 15.136 63 HG LEU 7 HG LEU 7 23.356 3.934 14.956 64 1HD1 LEU 7 1HD1 LEU 7 21.769 3.629 16.935 65 2HD1 LEU 7 2HD1 LEU 7 23.196 3.292 17.912 66 3HD1 LEU 7 3HD1 LEU 7 23.008 4.864 17.139 67 1HD2 LEU 7 1HD2 LEU 7 25.287 2.635 16.904 68 2HD2 LEU 7 2HD2 LEU 7 25.608 2.968 15.202 69 3HD2 LEU 7 3HD2 LEU 7 25.376 4.302 16.334 70 H ASN 8 H ASN 8 21.723 4.384 14.419 71 HA ASN 8 HA ASN 8 19.388 4.455 16.098 72 1HB ASN 8 1HB ASN 8 20.582 6.507 14.215 73 2HB ASN 8 2HB ASN 8 19.207 6.839 15.267 74 2HD2 ASN 8 2HD2 ASN 8 22.398 7.430 15.169 75 1HD2 ASN 8 1HD2 ASN 8 22.795 7.325 16.816 76 H ALA 9 H ALA 9 19.862 4.575 12.580 77 HA ALA 9 HA ALA 9 16.892 4.499 12.193 78 1HB ALA 9 1HB ALA 9 18.059 6.299 11.004 79 2HB ALA 9 2HB ALA 9 17.420 5.126 9.851 80 3HB ALA 9 3HB ALA 9 19.138 5.124 10.252 81 H GLN 10 H GLN 10 16.400 2.315 12.387 82 HA GLN 10 HA GLN 10 18.032 0.210 11.261 83 1HB GLN 10 1HB GLN 10 16.108 -1.247 11.762 84 2HB GLN 10 2HB GLN 10 16.463 -0.192 13.130 85 1HG GLN 10 1HG GLN 10 14.709 1.396 12.264 86 2HG GLN 10 2HG GLN 10 14.279 0.178 11.064 87 2HE2 GLN 10 2HE2 GLN 10 12.225 -0.455 11.887 88 1HE2 GLN 10 1HE2 GLN 10 12.007 -1.136 13.426 89 H HIS 11 H HIS 11 15.388 2.186 10.057 90 HA HIS 11 HA HIS 11 15.124 0.525 7.612 91 1HB HIS 11 1HB HIS 11 13.289 2.075 7.049 92 2HB HIS 11 2HB HIS 11 13.080 1.411 8.671 93 HD1 HIS 11 HD1 HIS 11 14.132 3.028 10.648 94 HD2 HIS 11 HD2 HIS 11 13.230 4.840 7.003 95 HE1 HIS 11 HE1 HIS 11 14.007 5.518 11.098 96 H ASP 12 H ASP 12 16.597 0.898 6.047 97 HA ASP 12 HA ASP 12 17.540 3.711 5.566 98 1HB ASP 12 1HB ASP 12 18.856 1.034 5.026 99 2HB ASP 12 2HB ASP 12 19.473 2.567 4.408 100 H GLU 13 H GLU 13 15.224 1.779 4.486 101 HA GLU 13 HA GLU 13 15.691 1.421 1.701 102 1HB GLU 13 1HB GLU 13 13.121 1.853 3.247 103 2HB GLU 13 2HB GLU 13 13.164 1.447 1.532 104 1HG GLU 13 1HG GLU 13 14.422 -0.613 2.048 105 2HG GLU 13 2HG GLU 13 14.376 -0.209 3.765 106 H ALA 14 H ALA 14 15.409 2.775 -0.062 107 HA ALA 14 HA ALA 14 14.098 5.367 0.190 108 1HB ALA 14 1HB ALA 14 16.311 5.864 1.192 109 2HB ALA 14 2HB ALA 14 17.096 5.277 -0.273 110 3HB ALA 14 3HB ALA 14 16.086 6.722 -0.333 111 H VAL 15 H VAL 15 15.407 2.793 -1.557 112 HA VAL 15 HA VAL 15 15.672 3.933 -4.165 113 HB VAL 15 HB VAL 15 14.959 1.129 -3.261 114 1HG1 VAL 15 1HG1 VAL 15 15.487 2.273 -6.009 115 2HG1 VAL 15 2HG1 VAL 15 15.762 0.568 -5.647 116 3HG1 VAL 15 3HG1 VAL 15 14.145 1.253 -5.489 117 1HG2 VAL 15 1HG2 VAL 15 17.208 2.018 -2.637 118 2HG2 VAL 15 2HG2 VAL 15 17.307 0.668 -3.768 119 3HG2 VAL 15 3HG2 VAL 15 17.532 2.320 -4.344 120 H ASP 16 H ASP 16 12.896 2.556 -2.433 121 HA ASP 16 HA ASP 16 11.091 3.873 -4.420 122 1HB ASP 16 1HB ASP 16 9.649 1.885 -4.454 123 2HB ASP 16 2HB ASP 16 11.269 1.467 -5.013 124 H ALA 17 H ALA 17 8.982 4.337 -3.542 125 HA ALA 17 HA ALA 17 8.223 3.759 -0.842 126 1HB ALA 17 1HB ALA 17 9.993 5.197 -0.119 127 2HB ALA 17 2HB ALA 17 9.615 6.398 -1.353 128 3HB ALA 17 3HB ALA 17 8.518 6.155 0.007 129 H ASN 18 H ASN 18 8.046 5.975 -3.591 130 HA ASN 18 HA ASN 18 5.519 7.160 -3.015 131 1HB ASN 18 1HB ASN 18 7.022 7.965 -4.815 132 2HB ASN 18 2HB ASN 18 6.710 6.486 -5.724 133 2HD2 ASN 18 2HD2 ASN 18 5.125 9.436 -4.464 134 1HD2 ASN 18 1HD2 ASN 18 3.812 9.382 -5.539 135 H SER 19 H SER 19 6.374 4.134 -4.662 136 HA SER 19 HA SER 19 3.777 3.425 -5.571 137 1HB SER 19 1HB SER 19 5.916 2.247 -6.173 138 2HB SER 19 2HB SER 19 5.924 1.539 -4.560 139 HG SER 19 HG SER 19 3.570 1.326 -6.024 140 H LEU 20 H LEU 20 5.371 2.865 -2.435 141 HA LEU 20 HA LEU 20 3.340 1.218 -1.328 142 1HB LEU 20 1HB LEU 20 5.531 1.500 -0.244 143 2HB LEU 20 2HB LEU 20 5.171 3.197 0.068 144 HG LEU 20 HG LEU 20 3.309 2.571 1.532 145 1HD1 LEU 20 1HD1 LEU 20 3.966 -0.199 0.533 146 2HD1 LEU 20 2HD1 LEU 20 3.219 0.011 2.116 147 3HD1 LEU 20 3HD1 LEU 20 2.393 0.584 0.672 148 1HD2 LEU 20 1HD2 LEU 20 5.893 1.081 2.097 149 2HD2 LEU 20 2HD2 LEU 20 5.499 2.727 2.590 150 3HD2 LEU 20 3HD2 LEU 20 4.635 1.361 3.300 151 H ALA 21 H ALA 21 3.742 4.759 -1.233 152 HA ALA 21 HA ALA 21 1.299 5.227 0.202 153 1HB ALA 21 1HB ALA 21 3.092 6.973 -1.487 154 2HB ALA 21 2HB ALA 21 2.915 6.972 0.267 155 3HB ALA 21 3HB ALA 21 1.615 7.595 -0.750 156 H GLU 22 H GLU 22 2.161 5.292 -3.256 157 HA GLU 22 HA GLU 22 -0.380 6.150 -4.227 158 1HB GLU 22 1HB GLU 22 1.693 6.057 -5.611 159 2HB GLU 22 2HB GLU 22 1.597 4.296 -5.590 160 1HG GLU 22 1HG GLU 22 -0.605 4.392 -6.687 161 2HG GLU 22 2HG GLU 22 -0.527 6.155 -6.700 162 H ALA 23 H ALA 23 0.892 2.920 -3.484 163 HA ALA 23 HA ALA 23 -1.300 1.416 -4.493 164 1HB ALA 23 1HB ALA 23 -0.601 -0.232 -2.623 165 2HB ALA 23 2HB ALA 23 0.612 0.171 -3.837 166 3HB ALA 23 3HB ALA 23 0.667 0.936 -2.249 167 H LYS 24 H LYS 24 -0.746 2.819 -1.247 168 HA LYS 24 HA LYS 24 -3.242 1.958 -0.136 169 1HB LYS 24 1HB LYS 24 -1.459 4.320 0.535 170 2HB LYS 24 2HB LYS 24 -2.862 3.841 1.500 171 1HG LYS 24 1HG LYS 24 -1.888 1.604 1.827 172 2HG LYS 24 2HG LYS 24 -0.482 2.071 0.865 173 1HD LYS 24 1HD LYS 24 0.039 3.854 2.487 174 2HD LYS 24 2HD LYS 24 -1.360 3.386 3.447 175 1HE LYS 24 1HE LYS 24 -0.414 1.187 3.858 176 2HE LYS 24 2HE LYS 24 0.931 1.527 2.771 177 1HZ LYS 24 1HZ LYS 24 1.257 3.546 4.358 178 2HZ LYS 24 2HZ LYS 24 0.400 2.574 5.458 179 3HZ LYS 24 3HZ LYS 24 1.854 2.014 4.788 180 H VAL 25 H VAL 25 -2.299 4.885 -1.935 181 HA VAL 25 HA VAL 25 -4.844 6.219 -1.695 182 HB VAL 25 HB VAL 25 -2.634 6.426 -3.755 183 1HG1 VAL 25 1HG1 VAL 25 -5.207 7.986 -3.452 184 2HG1 VAL 25 2HG1 VAL 25 -3.805 8.633 -4.303 185 3HG1 VAL 25 3HG1 VAL 25 -4.597 7.171 -4.892 186 1HG2 VAL 25 1HG2 VAL 25 -2.337 7.155 -1.279 187 2HG2 VAL 25 2HG2 VAL 25 -1.921 8.325 -2.531 188 3HG2 VAL 25 3HG2 VAL 25 -3.456 8.459 -1.674 189 H LEU 26 H LEU 26 -3.458 4.165 -4.280 190 HA LEU 26 HA LEU 26 -5.788 4.166 -5.924 191 1HB LEU 26 1HB LEU 26 -3.626 2.072 -5.526 192 2HB LEU 26 2HB LEU 26 -4.855 1.976 -6.786 193 HG LEU 26 HG LEU 26 -2.951 4.311 -6.443 194 1HD1 LEU 26 1HD1 LEU 26 -2.822 1.909 -8.289 195 2HD1 LEU 26 2HD1 LEU 26 -1.798 3.337 -8.439 196 3HD1 LEU 26 3HD1 LEU 26 -1.682 2.314 -7.007 197 1HD2 LEU 26 1HD2 LEU 26 -5.115 3.600 -8.419 198 2HD2 LEU 26 2HD2 LEU 26 -4.720 5.164 -7.708 199 3HD2 LEU 26 3HD2 LEU 26 -3.710 4.503 -8.986 200 H ALA 27 H ALA 27 -4.798 2.123 -3.216 201 HA ALA 27 HA ALA 27 -7.114 0.380 -3.356 202 1HB ALA 27 1HB ALA 27 -4.916 0.885 -1.366 203 2HB ALA 27 2HB ALA 27 -5.265 -0.576 -2.283 204 3HB ALA 27 3HB ALA 27 -6.288 -0.126 -0.923 205 H ASN 28 H ASN 28 -6.177 3.012 -1.123 206 HA ASN 28 HA ASN 28 -8.591 3.048 0.372 207 1HB ASN 28 1HB ASN 28 -6.538 4.214 1.076 208 2HB ASN 28 2HB ASN 28 -6.714 5.341 -0.269 209 2HD2 ASN 28 2HD2 ASN 28 -6.734 6.131 2.538 210 1HD2 ASN 28 1HD2 ASN 28 -8.268 6.779 2.868 211 H ARG 29 H ARG 29 -7.660 4.944 -2.510 212 HA ARG 29 HA ARG 29 -10.093 6.430 -2.667 213 1HB ARG 29 1HB ARG 29 -7.813 6.728 -3.930 214 2HB ARG 29 2HB ARG 29 -8.521 5.647 -5.124 215 1HG ARG 29 1HG ARG 29 -9.828 8.193 -4.130 216 2HG ARG 29 2HG ARG 29 -8.854 8.101 -5.590 217 1HD ARG 29 1HD ARG 29 -10.609 6.041 -6.036 218 2HD ARG 29 2HD ARG 29 -11.630 7.145 -5.121 219 HE ARG 29 HE ARG 29 -10.962 7.439 -7.848 220 1HH1 ARG 29 1HH1 ARG 29 -10.906 9.402 -8.930 221 2HH1 ARG 29 2HH1 ARG 29 -10.823 10.878 -8.027 222 1HH2 ARG 29 1HH2 ARG 29 -10.827 9.311 -4.944 223 2HH2 ARG 29 2HH2 ARG 29 -10.770 10.824 -5.778 224 H GLU 30 H GLU 30 -9.211 3.210 -3.758 225 HA GLU 30 HA GLU 30 -11.376 2.717 -5.544 226 1HB GLU 30 1HB GLU 30 -9.366 1.229 -5.186 227 2HB GLU 30 2HB GLU 30 -10.084 0.717 -3.663 228 1HG GLU 30 1HG GLU 30 -10.688 -0.935 -5.291 229 2HG GLU 30 2HG GLU 30 -12.138 0.022 -4.989 230 H LEU 31 H LEU 31 -11.156 2.396 -2.018 231 HA LEU 31 HA LEU 31 -13.748 1.201 -1.657 232 1HB LEU 31 1HB LEU 31 -12.435 3.047 0.351 233 2HB LEU 31 2HB LEU 31 -13.442 1.631 0.655 234 HG LEU 31 HG LEU 31 -10.632 1.674 -0.460 235 1HD1 LEU 31 1HD1 LEU 31 -11.842 0.506 2.067 236 2HD1 LEU 31 2HD1 LEU 31 -10.158 0.324 1.573 237 3HD1 LEU 31 3HD1 LEU 31 -10.792 1.919 1.978 238 1HD2 LEU 31 1HD2 LEU 31 -12.668 -0.557 -0.228 239 2HD2 LEU 31 2HD2 LEU 31 -11.753 -0.067 -1.654 240 3HD2 LEU 31 3HD2 LEU 31 -10.936 -0.879 -0.318 241 H ASP 32 H ASP 32 -12.587 4.510 -1.852 242 HA ASP 32 HA ASP 32 -14.895 5.873 -0.968 243 1HB ASP 32 1HB ASP 32 -12.717 6.943 -1.293 244 2HB ASP 32 2HB ASP 32 -12.854 6.715 -3.035 245 H LYS 33 H LYS 33 -14.067 4.876 -4.345 246 HA LYS 33 HA LYS 33 -16.353 6.126 -5.502 247 1HB LYS 33 1HB LYS 33 -16.102 4.269 -7.298 248 2HB LYS 33 2HB LYS 33 -14.772 5.403 -7.079 249 1HG LYS 33 1HG LYS 33 -13.597 3.789 -5.667 250 2HG LYS 33 2HG LYS 33 -14.936 2.650 -5.817 251 1HD LYS 33 1HD LYS 33 -13.318 3.733 -8.146 252 2HD LYS 33 2HD LYS 33 -13.041 2.170 -7.386 253 1HE LYS 33 1HE LYS 33 -14.444 1.499 -9.102 254 2HE LYS 33 2HE LYS 33 -15.669 1.885 -7.894 255 1HZ LYS 33 1HZ LYS 33 -15.363 4.267 -8.950 256 2HZ LYS 33 2HZ LYS 33 -14.892 3.349 -10.300 257 3HZ LYS 33 3HZ LYS 33 -16.428 3.124 -9.617 258 H TYR 34 H TYR 34 -16.003 2.887 -4.060 259 HA TYR 34 HA TYR 34 -18.700 2.083 -4.730 260 1HB TYR 34 1HB TYR 34 -16.728 1.064 -2.673 261 2HB TYR 34 2HB TYR 34 -18.315 0.337 -2.927 262 HD1 TYR 34 HD1 TYR 34 -14.920 0.282 -3.963 263 HD2 TYR 34 HD2 TYR 34 -18.927 -0.194 -5.437 264 HE1 TYR 34 HE1 TYR 34 -14.054 -0.979 -5.916 265 HE2 TYR 34 HE2 TYR 34 -18.061 -1.455 -7.388 266 HH TYR 34 HH TYR 34 -14.585 -1.805 -7.953 267 H GLY 35 H GLY 35 -17.263 3.866 -2.061 268 1HA GLY 35 1HA GLY 35 -20.008 4.511 -1.105 269 2HA GLY 35 2HA GLY 35 -18.542 5.408 -0.713 270 H VAL 36 H VAL 36 -17.425 2.444 -0.290 271 HA VAL 36 HA VAL 36 -18.696 1.284 1.926 272 HB VAL 36 HB VAL 36 -15.684 1.454 1.890 273 1HG1 VAL 36 1HG1 VAL 36 -16.838 0.062 3.577 274 2HG1 VAL 36 2HG1 VAL 36 -17.654 -0.821 2.288 275 3HG1 VAL 36 3HG1 VAL 36 -15.903 -0.933 2.462 276 1HG2 VAL 36 1HG2 VAL 36 -17.463 0.167 -0.190 277 2HG2 VAL 36 2HG2 VAL 36 -16.065 1.213 -0.438 278 3HG2 VAL 36 3HG2 VAL 36 -15.838 -0.437 0.136 279 H SER 37 H SER 37 -17.812 1.384 4.271 280 HA SER 37 HA SER 37 -18.188 4.024 5.286 281 1HB SER 37 1HB SER 37 -17.640 3.094 7.444 282 2HB SER 37 2HB SER 37 -18.530 1.861 6.556 283 HG SER 37 HG SER 37 -16.754 0.846 7.344 284 H ASP 38 H ASP 38 -16.575 5.328 6.471 285 HA ASP 38 HA ASP 38 -14.007 5.412 5.002 286 1HB ASP 38 1HB ASP 38 -13.706 7.580 6.134 287 2HB ASP 38 2HB ASP 38 -15.284 7.503 5.349 288 H TYR 39 H TYR 39 -14.937 3.556 7.417 289 HA TYR 39 HA TYR 39 -12.821 4.139 9.379 290 1HB TYR 39 1HB TYR 39 -14.901 3.274 10.244 291 2HB TYR 39 2HB TYR 39 -14.868 1.917 9.120 292 HD1 TYR 39 HD1 TYR 39 -13.445 3.321 12.213 293 HD2 TYR 39 HD2 TYR 39 -13.337 0.049 9.435 294 HE1 TYR 39 HE1 TYR 39 -12.141 1.980 13.842 295 HE2 TYR 39 HE2 TYR 39 -12.037 -1.289 11.056 296 HH TYR 39 HH TYR 39 -11.724 -0.439 14.313 297 H TYR 40 H TYR 40 -13.526 1.650 6.939 298 HA TYR 40 HA TYR 40 -11.272 -0.019 7.449 299 1HB TYR 40 1HB TYR 40 -12.735 0.456 4.836 300 2HB TYR 40 2HB TYR 40 -11.677 -0.908 5.185 301 HD1 TYR 40 HD1 TYR 40 -15.024 0.055 5.057 302 HD2 TYR 40 HD2 TYR 40 -12.280 -2.107 7.563 303 HE1 TYR 40 HE1 TYR 40 -16.920 -1.166 6.080 304 HE2 TYR 40 HE2 TYR 40 -14.179 -3.324 8.589 305 HH TYR 40 HH TYR 40 -17.056 -2.479 8.708 306 H LYS 41 H LYS 41 -11.557 2.930 5.498 307 HA LYS 41 HA LYS 41 -9.168 2.612 3.998 308 1HB LYS 41 1HB LYS 41 -9.328 4.936 3.519 309 2HB LYS 41 2HB LYS 41 -10.995 4.413 3.741 310 1HG LYS 41 1HG LYS 41 -10.707 5.116 6.196 311 2HG LYS 41 2HG LYS 41 -9.245 5.940 5.674 312 1HD LYS 41 1HD LYS 41 -11.958 6.418 4.408 313 2HD LYS 41 2HD LYS 41 -11.312 7.402 5.720 314 1HE LYS 41 1HE LYS 41 -9.269 7.814 4.272 315 2HE LYS 41 2HE LYS 41 -10.147 7.048 2.947 316 1HZ LYS 41 1HZ LYS 41 -11.276 9.302 4.493 317 2HZ LYS 41 2HZ LYS 41 -10.314 9.543 3.114 318 3HZ LYS 41 3HZ LYS 41 -11.785 8.702 2.991 319 H ASN 42 H ASN 42 -9.765 3.918 7.236 320 HA ASN 42 HA ASN 42 -7.104 4.799 7.720 321 1HB ASN 42 1HB ASN 42 -8.998 5.445 9.165 322 2HB ASN 42 2HB ASN 42 -9.157 3.771 9.702 323 2HD2 ASN 42 2HD2 ASN 42 -8.696 4.678 11.936 324 1HD2 ASN 42 1HD2 ASN 42 -7.083 4.958 12.383 325 H LEU 43 H LEU 43 -8.703 1.682 8.201 326 HA LEU 43 HA LEU 43 -6.576 0.364 9.548 327 1HB LEU 43 1HB LEU 43 -8.851 -0.572 9.385 328 2HB LEU 43 2HB LEU 43 -8.645 -0.784 7.649 329 HG LEU 43 HG LEU 43 -6.808 -2.363 8.032 330 1HD1 LEU 43 1HD1 LEU 43 -7.233 -1.537 10.900 331 2HD1 LEU 43 2HD1 LEU 43 -6.626 -3.156 10.546 332 3HD1 LEU 43 3HD1 LEU 43 -5.722 -1.743 10.013 333 1HD2 LEU 43 1HD2 LEU 43 -9.291 -3.043 8.090 334 2HD2 LEU 43 2HD2 LEU 43 -8.140 -4.190 8.777 335 3HD2 LEU 43 3HD2 LEU 43 -9.097 -3.158 9.840 336 H ILE 44 H ILE 44 -7.231 0.805 6.081 337 HA ILE 44 HA ILE 44 -5.141 -0.866 5.083 338 HB ILE 44 HB ILE 44 -6.234 1.722 3.933 339 1HG1 ILE 44 1HG1 ILE 44 -7.814 -0.328 4.443 340 2HG1 ILE 44 2HG1 ILE 44 -7.921 0.481 2.885 341 1HG2 ILE 44 1HG2 ILE 44 -4.524 -0.478 2.774 342 2HG2 ILE 44 2HG2 ILE 44 -5.469 0.608 1.755 343 3HG2 ILE 44 3HG2 ILE 44 -4.206 1.256 2.800 344 1HD1 ILE 44 1HD1 ILE 44 -6.065 -1.868 3.215 345 2HD1 ILE 44 2HD1 ILE 44 -7.788 -2.136 2.962 346 3HD1 ILE 44 3HD1 ILE 44 -6.845 -1.264 1.756 347 H ASN 45 H ASN 45 -5.172 2.523 6.121 348 HA ASN 45 HA ASN 45 -2.609 3.332 5.372 349 1HB ASN 45 1HB ASN 45 -4.374 4.708 6.575 350 2HB ASN 45 2HB ASN 45 -3.850 3.929 8.067 351 2HD2 ASN 45 2HD2 ASN 45 -3.463 6.578 8.185 352 1HD2 ASN 45 1HD2 ASN 45 -1.849 7.013 7.892 353 H ASN 46 H ASN 46 -3.586 1.243 8.044 354 HA ASN 46 HA ASN 46 -0.980 1.106 9.289 355 1HB ASN 46 1HB ASN 46 -3.166 0.480 10.392 356 2HB ASN 46 2HB ASN 46 -3.187 -0.971 9.390 357 2HD2 ASN 46 2HD2 ASN 46 -3.064 -2.076 11.619 358 1HD2 ASN 46 1HD2 ASN 46 -1.523 -2.306 12.295 359 H ALA 47 H ALA 47 -2.527 -0.557 6.629 360 HA ALA 47 HA ALA 47 -1.072 -2.917 6.402 361 1HB ALA 47 1HB ALA 47 -1.622 -1.080 4.060 362 2HB ALA 47 2HB ALA 47 -2.871 -2.056 4.831 363 3HB ALA 47 3HB ALA 47 -1.505 -2.840 4.042 364 H LYS 48 H LYS 48 1.079 -2.683 7.157 365 HA LYS 48 HA LYS 48 2.912 -0.698 6.188 366 1HB LYS 48 1HB LYS 48 3.280 -1.963 8.278 367 2HB LYS 48 2HB LYS 48 3.486 -3.442 7.338 368 1HG LYS 48 1HG LYS 48 5.457 -2.563 6.252 369 2HG LYS 48 2HG LYS 48 5.189 -0.969 6.951 370 1HD LYS 48 1HD LYS 48 6.929 -2.153 8.212 371 2HD LYS 48 2HD LYS 48 5.503 -1.912 9.219 372 1HE LYS 48 1HE LYS 48 6.617 -4.262 9.215 373 2HE LYS 48 2HE LYS 48 4.862 -4.175 9.071 374 1HZ LYS 48 1HZ LYS 48 6.510 -4.146 6.637 375 2HZ LYS 48 2HZ LYS 48 6.236 -5.622 7.432 376 3HZ LYS 48 3HZ LYS 48 4.923 -4.714 6.859 377 H THR 49 H THR 49 2.218 -4.032 5.146 378 HA THR 49 HA THR 49 4.156 -3.719 2.896 379 HB THR 49 HB THR 49 4.313 -5.759 4.290 380 HG1 THR 49 HG1 THR 49 4.755 -5.738 1.993 381 1HG2 THR 49 1HG2 THR 49 1.780 -5.780 4.721 382 2HG2 THR 49 2HG2 THR 49 1.641 -6.556 3.145 383 3HG2 THR 49 3HG2 THR 49 2.552 -7.340 4.434 384 H VAL 50 H VAL 50 3.495 -3.876 0.755 385 HA VAL 50 HA VAL 50 0.889 -2.907 0.103 386 HB VAL 50 HB VAL 50 2.953 -4.257 -1.640 387 1HG1 VAL 50 1HG1 VAL 50 0.475 -2.648 -2.301 388 2HG1 VAL 50 2HG1 VAL 50 1.766 -2.954 -3.463 389 3HG1 VAL 50 3HG1 VAL 50 0.843 -4.301 -2.797 390 1HG2 VAL 50 1HG2 VAL 50 2.389 -1.360 -0.953 391 2HG2 VAL 50 2HG2 VAL 50 3.853 -2.270 -0.590 392 3HG2 VAL 50 3HG2 VAL 50 3.460 -1.864 -2.260 393 H GLU 51 H GLU 51 2.238 -6.224 -0.029 394 HA GLU 51 HA GLU 51 0.051 -7.406 -1.395 395 1HB GLU 51 1HB GLU 51 0.746 -9.532 -0.356 396 2HB GLU 51 2HB GLU 51 2.146 -8.631 -0.936 397 1HG GLU 51 1HG GLU 51 2.543 -7.781 1.347 398 2HG GLU 51 2HG GLU 51 1.150 -8.688 1.932 399 H GLY 52 H GLY 52 0.376 -6.324 1.904 400 1HA GLY 52 1HA GLY 52 -1.127 -6.437 3.721 401 2HA GLY 52 2HA GLY 52 -1.994 -7.718 2.872 402 H VAL 53 H VAL 53 -1.354 -4.761 1.149 403 HA VAL 53 HA VAL 53 -3.739 -3.336 1.938 404 HB VAL 53 HB VAL 53 -2.016 -3.153 -0.550 405 1HG1 VAL 53 1HG1 VAL 53 -4.338 -1.470 0.401 406 2HG1 VAL 53 2HG1 VAL 53 -3.132 -0.865 -0.735 407 3HG1 VAL 53 3HG1 VAL 53 -4.130 -2.252 -1.165 408 1HG2 VAL 53 1HG2 VAL 53 -1.062 -2.572 1.761 409 2HG2 VAL 53 2HG2 VAL 53 -0.962 -1.310 0.533 410 3HG2 VAL 53 3HG2 VAL 53 -2.209 -1.233 1.779 411 H LYS 54 H LYS 54 -3.012 -5.140 -1.078 412 HA LYS 54 HA LYS 54 -5.741 -5.039 -2.007 413 1HB LYS 54 1HB LYS 54 -3.391 -6.774 -2.784 414 2HB LYS 54 2HB LYS 54 -4.946 -6.831 -3.611 415 1HG LYS 54 1HG LYS 54 -4.761 -4.390 -4.071 416 2HG LYS 54 2HG LYS 54 -3.163 -4.392 -3.332 417 1HD LYS 54 1HD LYS 54 -3.819 -6.273 -5.602 418 2HD LYS 54 2HD LYS 54 -3.320 -4.614 -5.919 419 1HE LYS 54 1HE LYS 54 -1.735 -6.694 -4.378 420 2HE LYS 54 2HE LYS 54 -1.364 -6.070 -5.981 421 1HZ LYS 54 1HZ LYS 54 -1.558 -3.810 -4.578 422 2HZ LYS 54 2HZ LYS 54 -0.953 -4.856 -3.386 423 3HZ LYS 54 3HZ LYS 54 -0.099 -4.640 -4.839 424 H ALA 55 H ALA 55 -3.857 -7.506 -0.280 425 HA ALA 55 HA ALA 55 -5.756 -9.608 -0.420 426 1HB ALA 55 1HB ALA 55 -3.779 -8.949 1.782 427 2HB ALA 55 2HB ALA 55 -4.618 -10.490 1.608 428 3HB ALA 55 3HB ALA 55 -3.471 -9.966 0.375 429 H LEU 56 H LEU 56 -5.483 -6.938 1.923 430 HA LEU 56 HA LEU 56 -7.555 -7.909 3.660 431 1HB LEU 56 1HB LEU 56 -5.883 -6.218 4.354 432 2HB LEU 56 2HB LEU 56 -6.563 -5.079 3.199 433 HG LEU 56 HG LEU 56 -8.761 -5.241 4.417 434 1HD1 LEU 56 1HD1 LEU 56 -7.076 -7.020 6.186 435 2HD1 LEU 56 2HD1 LEU 56 -8.440 -6.124 6.853 436 3HD1 LEU 56 3HD1 LEU 56 -8.704 -7.301 5.570 437 1HD2 LEU 56 1HD2 LEU 56 -6.274 -4.331 5.883 438 2HD2 LEU 56 2HD2 LEU 56 -7.365 -3.356 4.901 439 3HD2 LEU 56 3HD2 LEU 56 -7.902 -3.979 6.458 440 H ILE 57 H ILE 57 -7.524 -5.710 0.875 441 HA ILE 57 HA ILE 57 -10.349 -5.089 1.060 442 HB ILE 57 HB ILE 57 -8.391 -4.819 -1.220 443 1HG1 ILE 57 1HG1 ILE 57 -9.602 -2.718 0.605 444 2HG1 ILE 57 2HG1 ILE 57 -8.025 -3.450 0.887 445 1HG2 ILE 57 1HG2 ILE 57 -11.273 -3.972 -0.912 446 2HG2 ILE 57 2HG2 ILE 57 -10.183 -3.178 -2.050 447 3HG2 ILE 57 3HG2 ILE 57 -10.536 -4.895 -2.221 448 1HD1 ILE 57 1HD1 ILE 57 -8.534 -2.285 -1.822 449 2HD1 ILE 57 2HD1 ILE 57 -8.295 -1.172 -0.476 450 3HD1 ILE 57 3HD1 ILE 57 -7.043 -2.345 -0.880 451 H ASP 58 H ASP 58 -8.434 -7.599 -0.431 452 HA ASP 58 HA ASP 58 -10.341 -8.546 -2.328 453 1HB ASP 58 1HB ASP 58 -8.001 -9.364 -2.229 454 2HB ASP 58 2HB ASP 58 -8.348 -10.150 -0.689 455 H GLU 59 H GLU 59 -9.917 -9.159 1.126 456 HA GLU 59 HA GLU 59 -12.042 -11.113 1.311 457 1HB GLU 59 1HB GLU 59 -10.686 -9.354 3.379 458 2HB GLU 59 2HB GLU 59 -11.906 -10.563 3.785 459 1HG GLU 59 1HG GLU 59 -9.358 -11.184 2.266 460 2HG GLU 59 2HG GLU 59 -9.540 -11.394 4.008 461 H ILE 60 H ILE 60 -11.804 -7.606 1.747 462 HA ILE 60 HA ILE 60 -14.514 -7.263 2.638 463 HB ILE 60 HB ILE 60 -12.641 -5.295 1.301 464 1HG1 ILE 60 1HG1 ILE 60 -13.257 -5.690 4.244 465 2HG1 ILE 60 2HG1 ILE 60 -11.856 -6.402 3.448 466 1HG2 ILE 60 1HG2 ILE 60 -15.251 -4.968 2.791 467 2HG2 ILE 60 2HG2 ILE 60 -14.111 -3.640 2.581 468 3HG2 ILE 60 3HG2 ILE 60 -14.849 -4.398 1.171 469 1HD1 ILE 60 1HD1 ILE 60 -12.276 -3.458 3.094 470 2HD1 ILE 60 2HD1 ILE 60 -11.725 -4.023 4.671 471 3HD1 ILE 60 3HD1 ILE 60 -10.775 -4.378 3.231 472 H LEU 61 H LEU 61 -12.964 -7.093 -0.567 473 HA LEU 61 HA LEU 61 -15.390 -6.310 -1.935 474 1HB LEU 61 1HB LEU 61 -12.770 -7.493 -2.872 475 2HB LEU 61 2HB LEU 61 -14.105 -7.213 -3.991 476 HG LEU 61 HG LEU 61 -12.861 -5.084 -2.222 477 1HD1 LEU 61 1HD1 LEU 61 -11.382 -6.047 -4.064 478 2HD1 LEU 61 2HD1 LEU 61 -12.564 -5.428 -5.217 479 3HD1 LEU 61 3HD1 LEU 61 -11.687 -4.313 -4.172 480 1HD2 LEU 61 1HD2 LEU 61 -15.143 -5.127 -4.177 481 2HD2 LEU 61 2HD2 LEU 61 -14.949 -4.187 -2.697 482 3HD2 LEU 61 3HD2 LEU 61 -14.112 -3.698 -4.166 483 H ALA 62 H ALA 62 -14.003 -9.371 -0.957 484 HA ALA 62 HA ALA 62 -15.514 -11.103 -2.634 485 1HB ALA 62 1HB ALA 62 -14.629 -11.564 0.232 486 2HB ALA 62 2HB ALA 62 -15.107 -12.817 -0.913 487 3HB ALA 62 3HB ALA 62 -13.645 -11.872 -1.199 488 H ALA 63 H ALA 63 -16.310 -9.588 0.482 489 HA ALA 63 HA ALA 63 -18.835 -10.933 0.806 490 1HB ALA 63 1HB ALA 63 -17.584 -9.721 2.629 491 2HB ALA 63 2HB ALA 63 -18.056 -8.202 1.867 492 3HB ALA 63 3HB ALA 63 -19.288 -9.283 2.519 493 H LEU 64 H LEU 64 -17.845 -8.764 -1.519 494 HA LEU 64 HA LEU 64 -20.668 -7.892 -2.062 495 1HB LEU 64 1HB LEU 64 -18.134 -6.290 -2.522 496 2HB LEU 64 2HB LEU 64 -19.765 -5.775 -2.938 497 HG LEU 64 HG LEU 64 -19.064 -6.553 -0.103 498 1HD1 LEU 64 1HD1 LEU 64 -18.631 -3.898 -1.484 499 2HD1 LEU 64 2HD1 LEU 64 -18.795 -4.041 0.266 500 3HD1 LEU 64 3HD1 LEU 64 -17.462 -4.844 -0.563 501 1HD2 LEU 64 1HD2 LEU 64 -21.188 -4.806 -1.393 502 2HD2 LEU 64 2HD2 LEU 64 -21.435 -6.328 -0.538 503 3HD2 LEU 64 3HD2 LEU 64 -20.924 -4.894 0.347 504 HA PRO 65 HA PRO 65 -18.789 -10.337 -5.602 505 1HB PRO 65 1HB PRO 65 -21.613 -11.070 -6.062 506 2HB PRO 65 2HB PRO 65 -20.213 -12.120 -5.815 507 1HG PRO 65 1HG PRO 65 -22.236 -11.729 -3.954 508 2HG PRO 65 2HG PRO 65 -20.615 -12.321 -3.568 509 1HD PRO 65 1HD PRO 65 -21.810 -9.673 -2.995 510 2HD PRO 65 2HD PRO 65 -20.384 -10.445 -2.258 No H/Q in entry = 510 Start of MODEL 10 1 H1 MET 1 H1 MET 1 18.965 13.027 -26.241 2 H2 MET 1 H2 MET 1 19.715 14.549 -26.332 3 H3 MET 1 H3 MET 1 19.653 13.723 -24.852 4 HA MET 1 HA MET 1 17.575 14.391 -24.393 5 1HB MET 1 1HB MET 1 18.333 16.256 -26.662 6 2HB MET 1 2HB MET 1 16.972 16.531 -25.577 7 1HG MET 1 1HG MET 1 18.535 16.502 -23.645 8 2HG MET 1 2HG MET 1 19.883 16.307 -24.764 9 1HE MET 1 1HE MET 1 20.389 17.695 -26.625 10 2HE MET 1 2HE MET 1 18.915 18.413 -27.291 11 3HE MET 1 3HE MET 1 20.213 19.447 -26.700 12 H LYS 2 H LYS 2 18.138 13.309 -27.601 13 HA LYS 2 HA LYS 2 15.550 13.601 -28.749 14 1HB LYS 2 1HB LYS 2 17.700 11.509 -29.162 15 2HB LYS 2 2HB LYS 2 16.245 11.608 -30.151 16 1HG LYS 2 1HG LYS 2 16.837 13.967 -30.725 17 2HG LYS 2 2HG LYS 2 18.342 13.777 -29.828 18 1HD LYS 2 1HD LYS 2 17.613 11.858 -32.043 19 2HD LYS 2 2HD LYS 2 18.388 13.397 -32.403 20 1HE LYS 2 1HE LYS 2 19.485 11.228 -30.584 21 2HE LYS 2 2HE LYS 2 20.088 11.654 -32.182 22 1HZ LYS 2 1HZ LYS 2 20.035 14.016 -30.797 23 2HZ LYS 2 2HZ LYS 2 20.615 12.889 -29.670 24 3HZ LYS 2 3HZ LYS 2 21.410 13.085 -31.159 25 H ALA 3 H ALA 3 16.934 11.065 -26.684 26 HA ALA 3 HA ALA 3 14.229 9.777 -26.491 27 1HB ALA 3 1HB ALA 3 15.939 8.233 -27.259 28 2HB ALA 3 2HB ALA 3 17.014 8.708 -25.946 29 3HB ALA 3 3HB ALA 3 15.532 7.821 -25.594 30 H ILE 4 H ILE 4 13.483 9.189 -24.354 31 HA ILE 4 HA ILE 4 14.591 10.951 -22.203 32 HB ILE 4 HB ILE 4 11.938 9.478 -22.273 33 1HG1 ILE 4 1HG1 ILE 4 11.055 11.851 -22.646 34 2HG1 ILE 4 2HG1 ILE 4 12.712 12.313 -23.017 35 1HG2 ILE 4 1HG2 ILE 4 12.864 10.077 -20.013 36 2HG2 ILE 4 2HG2 ILE 4 12.909 11.763 -20.529 37 3HG2 ILE 4 3HG2 ILE 4 11.366 10.920 -20.398 38 1HD1 ILE 4 1HD1 ILE 4 11.762 9.930 -24.511 39 2HD1 ILE 4 2HD1 ILE 4 10.904 11.428 -24.875 40 3HD1 ILE 4 3HD1 ILE 4 12.651 11.343 -25.073 41 H PHE 5 H PHE 5 15.274 10.070 -20.261 42 HA PHE 5 HA PHE 5 16.408 7.515 -20.180 43 1HB PHE 5 1HB PHE 5 16.886 9.289 -18.529 44 2HB PHE 5 2HB PHE 5 15.266 9.103 -17.858 45 HD1 PHE 5 HD1 PHE 5 18.633 7.685 -18.071 46 HD2 PHE 5 HD2 PHE 5 14.626 7.030 -16.673 47 HE1 PHE 5 HE1 PHE 5 19.443 5.849 -16.613 48 HE2 PHE 5 HE2 PHE 5 15.433 5.194 -15.216 49 HZ PHE 5 HZ PHE 5 17.843 4.604 -15.184 50 H VAL 6 H VAL 6 15.546 5.519 -20.065 51 HA VAL 6 HA VAL 6 13.165 4.888 -18.542 52 HB VAL 6 HB VAL 6 12.161 5.923 -20.591 53 1HG1 VAL 6 1HG1 VAL 6 14.121 5.082 -22.048 54 2HG1 VAL 6 2HG1 VAL 6 13.236 3.558 -22.126 55 3HG1 VAL 6 3HG1 VAL 6 12.505 5.035 -22.753 56 1HG2 VAL 6 1HG2 VAL 6 11.239 3.785 -19.281 57 2HG2 VAL 6 2HG2 VAL 6 10.453 4.345 -20.755 58 3HG2 VAL 6 3HG2 VAL 6 11.563 2.980 -20.815 59 H LEU 7 H LEU 7 15.909 4.036 -18.698 60 HA LEU 7 HA LEU 7 16.191 1.589 -20.173 61 1HB LEU 7 1HB LEU 7 17.595 2.461 -17.627 62 2HB LEU 7 2HB LEU 7 18.117 1.155 -18.689 63 HG LEU 7 HG LEU 7 17.856 4.069 -19.501 64 1HD1 LEU 7 1HD1 LEU 7 20.294 2.348 -18.940 65 2HD1 LEU 7 2HD1 LEU 7 20.339 3.986 -19.592 66 3HD1 LEU 7 3HD1 LEU 7 19.731 3.702 -17.962 67 1HD2 LEU 7 1HD2 LEU 7 18.544 1.528 -20.976 68 2HD2 LEU 7 2HD2 LEU 7 17.560 2.894 -21.506 69 3HD2 LEU 7 3HD2 LEU 7 19.312 3.040 -21.465 70 H ASN 8 H ASN 8 16.222 -0.598 -19.258 71 HA ASN 8 HA ASN 8 13.870 -1.125 -17.679 72 1HB ASN 8 1HB ASN 8 14.679 -3.492 -17.726 73 2HB ASN 8 2HB ASN 8 14.625 -2.752 -19.326 74 2HD2 ASN 8 2HD2 ASN 8 16.659 -2.310 -20.402 75 1HD2 ASN 8 1HD2 ASN 8 18.137 -2.897 -19.808 76 H ALA 9 H ALA 9 14.849 0.471 -15.948 77 HA ALA 9 HA ALA 9 15.707 -1.209 -13.710 78 1HB ALA 9 1HB ALA 9 17.510 0.955 -14.833 79 2HB ALA 9 2HB ALA 9 17.891 -0.756 -14.638 80 3HB ALA 9 3HB ALA 9 17.698 0.271 -13.218 81 H GLN 10 H GLN 10 15.628 0.028 -11.657 82 HA GLN 10 HA GLN 10 13.672 2.275 -11.851 83 1HB GLN 10 1HB GLN 10 13.442 1.815 -9.347 84 2HB GLN 10 2HB GLN 10 12.867 0.545 -10.425 85 1HG GLN 10 1HG GLN 10 15.709 0.485 -9.408 86 2HG GLN 10 2HG GLN 10 14.397 -0.101 -8.392 87 2HE2 GLN 10 2HE2 GLN 10 13.138 -1.976 -9.194 88 1HE2 GLN 10 1HE2 GLN 10 13.792 -3.004 -10.375 89 H HIS 11 H HIS 11 14.192 4.312 -11.136 90 HA HIS 11 HA HIS 11 16.931 5.062 -10.844 91 1HB HIS 11 1HB HIS 11 16.050 7.265 -10.160 92 2HB HIS 11 2HB HIS 11 15.181 6.648 -11.565 93 HD1 HIS 11 HD1 HIS 11 12.874 5.276 -10.892 94 HD2 HIS 11 HD2 HIS 11 14.370 7.969 -8.085 95 HE1 HIS 11 HE1 HIS 11 10.969 5.786 -9.302 96 H ASP 12 H ASP 12 14.387 4.405 -8.462 97 HA ASP 12 HA ASP 12 16.069 5.098 -6.188 98 1HB ASP 12 1HB ASP 12 13.449 3.593 -6.435 99 2HB ASP 12 2HB ASP 12 14.230 3.929 -4.890 100 H GLU 13 H GLU 13 17.285 3.692 -4.917 101 HA GLU 13 HA GLU 13 18.273 1.287 -6.114 102 1HB GLU 13 1HB GLU 13 18.423 2.339 -3.277 103 2HB GLU 13 2HB GLU 13 19.269 0.888 -3.816 104 1HG GLU 13 1HG GLU 13 19.580 3.597 -5.138 105 2HG GLU 13 2HG GLU 13 20.669 2.987 -3.892 106 H ALA 14 H ALA 14 15.827 1.859 -3.592 107 HA ALA 14 HA ALA 14 15.415 -0.938 -3.007 108 1HB ALA 14 1HB ALA 14 13.382 1.283 -2.680 109 2HB ALA 14 2HB ALA 14 14.716 1.033 -1.555 110 3HB ALA 14 3HB ALA 14 13.492 -0.220 -1.764 111 H VAL 15 H VAL 15 14.036 -2.404 -3.977 112 HA VAL 15 HA VAL 15 13.205 -1.972 -6.668 113 HB VAL 15 HB VAL 15 13.601 -4.211 -5.559 114 1HG1 VAL 15 1HG1 VAL 15 12.150 -3.590 -3.544 115 2HG1 VAL 15 2HG1 VAL 15 10.758 -3.907 -4.580 116 3HG1 VAL 15 3HG1 VAL 15 11.898 -5.202 -4.216 117 1HG2 VAL 15 1HG2 VAL 15 12.447 -3.899 -7.769 118 2HG2 VAL 15 2HG2 VAL 15 11.933 -5.348 -6.904 119 3HG2 VAL 15 3HG2 VAL 15 10.905 -3.915 -6.912 120 H ASP 16 H ASP 16 11.432 -1.750 -3.600 121 HA ASP 16 HA ASP 16 9.204 -0.359 -5.060 122 1HB ASP 16 1HB ASP 16 9.032 -2.397 -2.823 123 2HB ASP 16 2HB ASP 16 7.680 -1.379 -3.317 124 H ALA 17 H ALA 17 8.463 1.509 -4.064 125 HA ALA 17 HA ALA 17 9.104 2.103 -1.272 126 1HB ALA 17 1HB ALA 17 11.234 2.745 -2.159 127 2HB ALA 17 2HB ALA 17 10.332 4.244 -1.936 128 3HB ALA 17 3HB ALA 17 10.489 3.540 -3.546 129 H ASN 18 H ASN 18 8.743 4.385 -3.957 130 HA ASN 18 HA ASN 18 6.640 5.851 -2.723 131 1HB ASN 18 1HB ASN 18 8.032 6.764 -4.546 132 2HB ASN 18 2HB ASN 18 7.310 5.615 -5.673 133 2HD2 ASN 18 2HD2 ASN 18 6.626 8.497 -3.704 134 1HD2 ASN 18 1HD2 ASN 18 5.179 8.901 -4.493 135 H SER 19 H SER 19 6.565 3.185 -5.065 136 HA SER 19 HA SER 19 3.808 3.206 -5.669 137 1HB SER 19 1HB SER 19 4.081 0.893 -6.317 138 2HB SER 19 2HB SER 19 5.555 1.756 -6.748 139 HG SER 19 HG SER 19 5.870 -0.274 -5.618 140 H LEU 20 H LEU 20 5.473 2.024 -2.792 141 HA LEU 20 HA LEU 20 3.375 0.427 -1.728 142 1HB LEU 20 1HB LEU 20 5.625 0.414 -0.757 143 2HB LEU 20 2HB LEU 20 5.451 2.101 -0.278 144 HG LEU 20 HG LEU 20 3.591 1.494 1.232 145 1HD1 LEU 20 1HD1 LEU 20 4.053 -1.226 0.014 146 2HD1 LEU 20 2HD1 LEU 20 3.387 -1.086 1.641 147 3HD1 LEU 20 3HD1 LEU 20 2.531 -0.373 0.275 148 1HD2 LEU 20 1HD2 LEU 20 6.106 -0.172 1.558 149 2HD2 LEU 20 2HD2 LEU 20 5.849 1.469 2.150 150 3HD2 LEU 20 3HD2 LEU 20 4.936 0.130 2.842 151 H ALA 21 H ALA 21 4.082 3.896 -1.203 152 HA ALA 21 HA ALA 21 1.749 4.321 0.414 153 1HB ALA 21 1HB ALA 21 3.613 6.159 -1.086 154 2HB ALA 21 2HB ALA 21 3.472 5.927 0.657 155 3HB ALA 21 3HB ALA 21 2.205 6.782 -0.223 156 H GLU 22 H GLU 22 2.430 4.715 -3.048 157 HA GLU 22 HA GLU 22 -0.022 5.961 -3.777 158 1HB GLU 22 1HB GLU 22 1.944 5.751 -5.287 159 2HB GLU 22 2HB GLU 22 1.632 4.021 -5.416 160 1HG GLU 22 1HG GLU 22 -0.589 4.476 -6.369 161 2HG GLU 22 2HG GLU 22 -0.303 6.211 -6.225 162 H ALA 23 H ALA 23 0.825 2.523 -3.419 163 HA ALA 23 HA ALA 23 -1.550 1.399 -4.471 164 1HB ALA 23 1HB ALA 23 -1.037 -0.560 -3.096 165 2HB ALA 23 2HB ALA 23 0.460 0.090 -3.767 166 3HB ALA 23 3HB ALA 23 0.038 0.403 -2.083 167 H LYS 24 H LYS 24 -0.843 2.614 -1.202 168 HA LYS 24 HA LYS 24 -3.417 1.909 -0.110 169 1HB LYS 24 1HB LYS 24 -1.381 4.001 0.716 170 2HB LYS 24 2HB LYS 24 -2.812 3.588 1.664 171 1HG LYS 24 1HG LYS 24 -2.050 1.246 1.803 172 2HG LYS 24 2HG LYS 24 -0.616 1.656 0.861 173 1HD LYS 24 1HD LYS 24 0.074 3.262 2.601 174 2HD LYS 24 2HD LYS 24 -1.357 2.851 3.547 175 1HE LYS 24 1HE LYS 24 -0.600 0.588 3.857 176 2HE LYS 24 2HE LYS 24 0.712 0.810 2.698 177 1HZ LYS 24 1HZ LYS 24 1.032 2.822 4.530 178 2HZ LYS 24 2HZ LYS 24 0.622 1.466 5.468 179 3HZ LYS 24 3HZ LYS 24 1.956 1.404 4.419 180 H VAL 25 H VAL 25 -2.103 4.816 -1.668 181 HA VAL 25 HA VAL 25 -4.413 6.468 -1.275 182 HB VAL 25 HB VAL 25 -2.235 6.511 -3.377 183 1HG1 VAL 25 1HG1 VAL 25 -4.526 8.414 -2.863 184 2HG1 VAL 25 2HG1 VAL 25 -3.053 8.915 -3.695 185 3HG1 VAL 25 3HG1 VAL 25 -4.070 7.649 -4.387 186 1HG2 VAL 25 1HG2 VAL 25 -1.554 6.948 -1.025 187 2HG2 VAL 25 2HG2 VAL 25 -1.375 8.381 -2.038 188 3HG2 VAL 25 3HG2 VAL 25 -2.748 8.242 -0.939 189 H LEU 26 H LEU 26 -3.388 4.482 -4.074 190 HA LEU 26 HA LEU 26 -5.719 4.994 -5.648 191 1HB LEU 26 1HB LEU 26 -3.783 2.666 -5.611 192 2HB LEU 26 2HB LEU 26 -5.061 2.835 -6.811 193 HG LEU 26 HG LEU 26 -2.932 4.926 -6.285 194 1HD1 LEU 26 1HD1 LEU 26 -2.002 2.785 -7.167 195 2HD1 LEU 26 2HD1 LEU 26 -3.103 2.906 -8.540 196 3HD1 LEU 26 3HD1 LEU 26 -1.840 4.117 -8.314 197 1HD2 LEU 26 1HD2 LEU 26 -5.250 4.688 -8.193 198 2HD2 LEU 26 2HD2 LEU 26 -4.631 6.108 -7.354 199 3HD2 LEU 26 3HD2 LEU 26 -3.784 5.481 -8.762 200 H ALA 27 H ALA 27 -4.987 2.475 -3.258 201 HA ALA 27 HA ALA 27 -7.395 0.969 -3.661 202 1HB ALA 27 1HB ALA 27 -5.274 0.277 -2.378 203 2HB ALA 27 2HB ALA 27 -5.927 1.206 -1.029 204 3HB ALA 27 3HB ALA 27 -6.818 -0.180 -1.660 205 H ASN 28 H ASN 28 -6.589 3.726 -1.590 206 HA ASN 28 HA ASN 28 -8.957 3.770 -0.014 207 1HB ASN 28 1HB ASN 28 -6.829 5.181 0.249 208 2HB ASN 28 2HB ASN 28 -7.507 6.238 -0.989 209 2HD2 ASN 28 2HD2 ASN 28 -7.698 5.328 2.370 210 1HD2 ASN 28 1HD2 ASN 28 -8.955 6.385 2.795 211 H ARG 29 H ARG 29 -8.267 5.160 -3.205 212 HA ARG 29 HA ARG 29 -10.668 6.643 -3.526 213 1HB ARG 29 1HB ARG 29 -8.876 5.279 -5.549 214 2HB ARG 29 2HB ARG 29 -10.220 6.328 -6.001 215 1HG ARG 29 1HG ARG 29 -9.222 8.174 -4.700 216 2HG ARG 29 2HG ARG 29 -7.875 7.128 -4.250 217 1HD ARG 29 1HD ARG 29 -7.279 6.867 -6.632 218 2HD ARG 29 2HD ARG 29 -8.622 7.919 -7.082 219 HE ARG 29 HE ARG 29 -7.153 9.451 -5.302 220 1HH1 ARG 29 1HH1 ARG 29 -5.474 10.813 -5.961 221 2HH1 ARG 29 2HH1 ARG 29 -4.638 10.480 -7.441 222 1HH2 ARG 29 1HH2 ARG 29 -6.513 7.660 -8.180 223 2HH2 ARG 29 2HH2 ARG 29 -5.225 8.697 -8.696 224 H GLU 30 H GLU 30 -9.966 3.224 -4.224 225 HA GLU 30 HA GLU 30 -12.398 2.617 -5.559 226 1HB GLU 30 1HB GLU 30 -10.605 0.912 -3.812 227 2HB GLU 30 2HB GLU 30 -11.970 0.263 -4.723 228 1HG GLU 30 1HG GLU 30 -10.981 1.093 -6.819 229 2HG GLU 30 2HG GLU 30 -9.622 1.766 -5.919 230 H LEU 31 H LEU 31 -11.632 2.664 -2.081 231 HA LEU 31 HA LEU 31 -14.093 1.556 -1.156 232 1HB LEU 31 1HB LEU 31 -12.679 3.796 0.308 233 2HB LEU 31 2HB LEU 31 -13.519 2.396 0.977 234 HG LEU 31 HG LEU 31 -10.888 2.413 -0.507 235 1HD1 LEU 31 1HD1 LEU 31 -11.717 1.865 2.350 236 2HD1 LEU 31 2HD1 LEU 31 -10.165 1.341 1.704 237 3HD1 LEU 31 3HD1 LEU 31 -10.558 3.057 1.763 238 1HD2 LEU 31 1HD2 LEU 31 -12.679 0.143 0.400 239 2HD2 LEU 31 2HD2 LEU 31 -12.007 0.418 -1.207 240 3HD2 LEU 31 3HD2 LEU 31 -10.953 -0.085 0.115 241 H ASP 32 H ASP 32 -13.107 4.927 -1.637 242 HA ASP 32 HA ASP 32 -15.610 6.129 -1.017 243 1HB ASP 32 1HB ASP 32 -13.229 6.902 -2.698 244 2HB ASP 32 2HB ASP 32 -14.647 7.956 -2.623 245 H LYS 33 H LYS 33 -14.273 4.836 -4.034 246 HA LYS 33 HA LYS 33 -16.383 5.630 -5.780 247 1HB LYS 33 1HB LYS 33 -14.220 4.702 -6.544 248 2HB LYS 33 2HB LYS 33 -14.645 3.144 -5.848 249 1HG LYS 33 1HG LYS 33 -16.577 2.982 -7.367 250 2HG LYS 33 2HG LYS 33 -16.152 4.546 -8.070 251 1HD LYS 33 1HD LYS 33 -14.015 3.676 -8.839 252 2HD LYS 33 2HD LYS 33 -14.307 2.140 -8.022 253 1HE LYS 33 1HE LYS 33 -16.284 1.767 -9.462 254 2HE LYS 33 2HE LYS 33 -15.946 3.279 -10.301 255 1HZ LYS 33 1HZ LYS 33 -13.673 1.528 -10.128 256 2HZ LYS 33 2HZ LYS 33 -14.970 0.853 -10.994 257 3HZ LYS 33 3HZ LYS 33 -14.316 2.342 -11.474 258 H TYR 34 H TYR 34 -15.913 2.579 -3.957 259 HA TYR 34 HA TYR 34 -18.512 1.529 -4.674 260 1HB TYR 34 1HB TYR 34 -16.565 0.786 -2.475 261 2HB TYR 34 2HB TYR 34 -18.072 -0.080 -2.770 262 HD1 TYR 34 HD1 TYR 34 -18.470 -0.699 -5.360 263 HD2 TYR 34 HD2 TYR 34 -14.642 -0.047 -3.520 264 HE1 TYR 34 HE1 TYR 34 -17.380 -2.011 -7.157 265 HE2 TYR 34 HE2 TYR 34 -13.556 -1.355 -5.319 266 HH TYR 34 HH TYR 34 -14.989 -2.078 -8.194 267 H GLY 35 H GLY 35 -17.243 3.294 -1.872 268 1HA GLY 35 1HA GLY 35 -20.021 4.038 -1.137 269 2HA GLY 35 2HA GLY 35 -18.550 4.786 -0.512 270 H VAL 36 H VAL 36 -17.342 2.080 -0.022 271 HA VAL 36 HA VAL 36 -19.019 0.654 1.832 272 HB VAL 36 HB VAL 36 -16.913 -0.482 2.485 273 1HG1 VAL 36 1HG1 VAL 36 -17.478 -0.052 -0.454 274 2HG1 VAL 36 2HG1 VAL 36 -16.323 -1.254 0.123 275 3HG1 VAL 36 3HG1 VAL 36 -18.025 -1.380 0.570 276 1HG2 VAL 36 1HG2 VAL 36 -15.423 1.484 2.336 277 2HG2 VAL 36 2HG2 VAL 36 -14.822 0.159 1.342 278 3HG2 VAL 36 3HG2 VAL 36 -15.651 1.518 0.588 279 H SER 37 H SER 37 -17.876 0.314 4.177 280 HA SER 37 HA SER 37 -18.430 2.682 5.647 281 1HB SER 37 1HB SER 37 -18.491 0.439 6.663 282 2HB SER 37 2HB SER 37 -16.748 0.296 6.466 283 HG SER 37 HG SER 37 -16.459 1.587 8.115 284 H ASP 38 H ASP 38 -17.129 4.319 6.410 285 HA ASP 38 HA ASP 38 -14.656 4.857 5.025 286 1HB ASP 38 1HB ASP 38 -16.096 6.680 5.774 287 2HB ASP 38 2HB ASP 38 -15.905 6.176 7.453 288 H TYR 39 H TYR 39 -15.407 3.130 7.919 289 HA TYR 39 HA TYR 39 -13.032 3.534 9.421 290 1HB TYR 39 1HB TYR 39 -14.926 2.382 10.394 291 2HB TYR 39 2HB TYR 39 -14.825 1.102 9.186 292 HD1 TYR 39 HD1 TYR 39 -13.295 2.528 12.223 293 HD2 TYR 39 HD2 TYR 39 -13.055 -0.568 9.257 294 HE1 TYR 39 HE1 TYR 39 -11.681 1.291 13.644 295 HE2 TYR 39 HE2 TYR 39 -11.445 -1.805 10.673 296 HH TYR 39 HH TYR 39 -10.879 -1.928 13.136 297 H TYR 40 H TYR 40 -13.730 1.038 6.952 298 HA TYR 40 HA TYR 40 -11.302 -0.369 7.116 299 1HB TYR 40 1HB TYR 40 -12.938 0.206 4.631 300 2HB TYR 40 2HB TYR 40 -11.724 -1.061 4.783 301 HD1 TYR 40 HD1 TYR 40 -12.064 -2.558 7.039 302 HD2 TYR 40 HD2 TYR 40 -15.160 -0.467 4.910 303 HE1 TYR 40 HE1 TYR 40 -13.761 -4.083 8.006 304 HE2 TYR 40 HE2 TYR 40 -16.853 -1.996 5.879 305 HH TYR 40 HH TYR 40 -16.831 -3.513 8.230 306 H LYS 41 H LYS 41 -11.796 2.848 5.833 307 HA LYS 41 HA LYS 41 -9.510 2.802 4.074 308 1HB LYS 41 1HB LYS 41 -9.984 5.034 3.652 309 2HB LYS 41 2HB LYS 41 -11.543 4.511 4.273 310 1HG LYS 41 1HG LYS 41 -10.728 5.277 6.579 311 2HG LYS 41 2HG LYS 41 -9.374 6.031 5.750 312 1HD LYS 41 1HD LYS 41 -12.216 6.610 4.905 313 2HD LYS 41 2HD LYS 41 -11.470 7.485 6.239 314 1HE LYS 41 1HE LYS 41 -10.375 7.309 3.417 315 2HE LYS 41 2HE LYS 41 -11.178 8.709 4.124 316 1HZ LYS 41 1HZ LYS 41 -9.423 8.665 5.874 317 2HZ LYS 41 2HZ LYS 41 -8.604 7.494 4.955 318 3HZ LYS 41 3HZ LYS 41 -8.859 9.051 4.322 319 H ASN 42 H ASN 42 -9.981 3.719 7.459 320 HA ASN 42 HA ASN 42 -7.286 4.655 7.806 321 1HB ASN 42 1HB ASN 42 -7.785 4.538 10.228 322 2HB ASN 42 2HB ASN 42 -9.081 5.335 9.337 323 2HD2 ASN 42 2HD2 ASN 42 -10.880 4.737 10.630 324 1HD2 ASN 42 1HD2 ASN 42 -11.337 3.126 10.911 325 H LEU 43 H LEU 43 -8.791 1.508 7.908 326 HA LEU 43 HA LEU 43 -6.745 0.142 9.377 327 1HB LEU 43 1HB LEU 43 -8.972 -0.831 8.967 328 2HB LEU 43 2HB LEU 43 -8.628 -0.905 7.242 329 HG LEU 43 HG LEU 43 -6.758 -2.457 7.673 330 1HD1 LEU 43 1HD1 LEU 43 -7.535 -1.930 10.541 331 2HD1 LEU 43 2HD1 LEU 43 -6.795 -3.468 10.097 332 3HD1 LEU 43 3HD1 LEU 43 -5.926 -1.964 9.816 333 1HD2 LEU 43 1HD2 LEU 43 -9.224 -3.185 7.413 334 2HD2 LEU 43 2HD2 LEU 43 -8.104 -4.370 8.087 335 3HD2 LEU 43 3HD2 LEU 43 -9.190 -3.478 9.151 336 H ILE 44 H ILE 44 -7.158 0.824 5.906 337 HA ILE 44 HA ILE 44 -4.909 -0.701 4.999 338 HB ILE 44 HB ILE 44 -6.260 1.769 3.887 339 1HG1 ILE 44 1HG1 ILE 44 -6.275 -1.101 2.940 340 2HG1 ILE 44 2HG1 ILE 44 -7.481 -0.460 4.056 341 1HG2 ILE 44 1HG2 ILE 44 -4.031 0.064 2.761 342 2HG2 ILE 44 2HG2 ILE 44 -5.068 1.058 1.740 343 3HG2 ILE 44 3HG2 ILE 44 -4.050 1.814 2.967 344 1HD1 ILE 44 1HD1 ILE 44 -7.864 1.375 2.270 345 2HD1 ILE 44 2HD1 ILE 44 -6.983 0.301 1.181 346 3HD1 ILE 44 3HD1 ILE 44 -8.480 -0.241 1.935 347 H ASN 45 H ASN 45 -5.227 2.616 6.170 348 HA ASN 45 HA ASN 45 -2.561 3.467 5.655 349 1HB ASN 45 1HB ASN 45 -4.567 4.232 7.793 350 2HB ASN 45 2HB ASN 45 -3.003 5.030 7.628 351 2HD2 ASN 45 2HD2 ASN 45 -3.807 4.147 4.528 352 1HD2 ASN 45 1HD2 ASN 45 -4.606 5.559 4.030 353 H ASN 46 H ASN 46 -4.008 1.642 8.323 354 HA ASN 46 HA ASN 46 -1.632 1.629 9.968 355 1HB ASN 46 1HB ASN 46 -4.076 -0.159 9.889 356 2HB ASN 46 2HB ASN 46 -2.796 -0.320 11.094 357 2HD2 ASN 46 2HD2 ASN 46 -5.524 0.421 11.768 358 1HD2 ASN 46 1HD2 ASN 46 -5.487 2.004 12.381 359 H ALA 47 H ALA 47 -2.612 -0.151 7.160 360 HA ALA 47 HA ALA 47 -1.048 -2.524 7.585 361 1HB ALA 47 1HB ALA 47 -2.855 -2.122 5.802 362 2HB ALA 47 2HB ALA 47 -1.412 -2.988 5.276 363 3HB ALA 47 3HB ALA 47 -1.607 -1.279 4.886 364 H LYS 48 H LYS 48 1.126 -2.853 7.355 365 HA LYS 48 HA LYS 48 2.794 -0.550 6.400 366 1HB LYS 48 1HB LYS 48 3.396 -2.810 8.324 367 2HB LYS 48 2HB LYS 48 4.620 -1.696 7.712 368 1HG LYS 48 1HG LYS 48 3.348 0.213 8.624 369 2HG LYS 48 2HG LYS 48 2.125 -0.899 9.238 370 1HD LYS 48 1HD LYS 48 3.823 -1.993 10.655 371 2HD LYS 48 2HD LYS 48 5.049 -0.880 10.045 372 1HE LYS 48 1HE LYS 48 3.784 1.028 10.951 373 2HE LYS 48 2HE LYS 48 2.540 -0.071 11.545 374 1HZ LYS 48 1HZ LYS 48 5.368 -0.403 12.326 375 2HZ LYS 48 2HZ LYS 48 4.352 0.674 13.157 376 3HZ LYS 48 3HZ LYS 48 3.973 -0.978 13.108 377 H THR 49 H THR 49 1.514 -3.126 5.033 378 HA THR 49 HA THR 49 3.905 -3.565 3.328 379 HB THR 49 HB THR 49 2.319 -5.969 4.237 380 HG1 THR 49 HG1 THR 49 4.028 -6.242 5.789 381 1HG2 THR 49 1HG2 THR 49 3.856 -6.090 2.276 382 2HG2 THR 49 2HG2 THR 49 5.183 -5.597 3.327 383 3HG2 THR 49 3HG2 THR 49 4.366 -7.136 3.602 384 H VAL 50 H VAL 50 3.374 -4.018 1.193 385 HA VAL 50 HA VAL 50 0.727 -3.273 0.323 386 HB VAL 50 HB VAL 50 2.687 -2.801 -1.034 387 1HG1 VAL 50 1HG1 VAL 50 3.917 -4.894 -0.336 388 2HG1 VAL 50 2HG1 VAL 50 2.896 -5.791 -1.459 389 3HG1 VAL 50 3HG1 VAL 50 3.995 -4.553 -2.065 390 1HG2 VAL 50 1HG2 VAL 50 0.426 -3.236 -2.095 391 2HG2 VAL 50 2HG2 VAL 50 1.804 -3.478 -3.170 392 3HG2 VAL 50 3HG2 VAL 50 0.991 -4.869 -2.454 393 H GLU 51 H GLU 51 2.359 -6.412 0.715 394 HA GLU 51 HA GLU 51 0.498 -7.980 -0.737 395 1HB GLU 51 1HB GLU 51 1.256 -9.871 0.562 396 2HB GLU 51 2HB GLU 51 2.648 -8.822 0.305 397 1HG GLU 51 1HG GLU 51 2.183 -7.791 2.565 398 2HG GLU 51 2HG GLU 51 0.963 -9.039 2.817 399 H GLY 52 H GLY 52 0.401 -6.689 2.536 400 1HA GLY 52 1HA GLY 52 -1.352 -6.604 4.096 401 2HA GLY 52 2HA GLY 52 -2.091 -7.968 3.255 402 H VAL 53 H VAL 53 -1.208 -4.859 1.751 403 HA VAL 53 HA VAL 53 -3.806 -3.666 1.935 404 HB VAL 53 HB VAL 53 -1.604 -3.286 -0.117 405 1HG1 VAL 53 1HG1 VAL 53 -4.191 -1.791 0.364 406 2HG1 VAL 53 2HG1 VAL 53 -2.828 -1.075 -0.492 407 3HG1 VAL 53 3HG1 VAL 53 -3.622 -2.508 -1.143 408 1HG2 VAL 53 1HG2 VAL 53 -1.151 -2.730 2.318 409 2HG2 VAL 53 2HG2 VAL 53 -0.997 -1.367 1.209 410 3HG2 VAL 53 3HG2 VAL 53 -2.439 -1.534 2.208 411 H LYS 54 H LYS 54 -2.309 -5.582 -0.685 412 HA LYS 54 HA LYS 54 -4.611 -5.540 -2.391 413 1HB LYS 54 1HB LYS 54 -2.257 -6.171 -3.056 414 2HB LYS 54 2HB LYS 54 -2.506 -7.711 -2.235 415 1HG LYS 54 1HG LYS 54 -4.436 -8.185 -3.693 416 2HG LYS 54 2HG LYS 54 -4.192 -6.643 -4.518 417 1HD LYS 54 1HD LYS 54 -1.907 -7.381 -5.166 418 2HD LYS 54 2HD LYS 54 -2.221 -8.944 -4.412 419 1HE LYS 54 1HE LYS 54 -2.621 -8.976 -6.872 420 2HE LYS 54 2HE LYS 54 -4.075 -9.353 -5.947 421 1HZ LYS 54 1HZ LYS 54 -3.449 -6.598 -6.819 422 2HZ LYS 54 2HZ LYS 54 -4.297 -7.681 -7.817 423 3HZ LYS 54 3HZ LYS 54 -4.939 -7.229 -6.310 424 H ALA 55 H ALA 55 -3.555 -7.801 0.139 425 HA ALA 55 HA ALA 55 -5.711 -9.687 -0.294 426 1HB ALA 55 1HB ALA 55 -3.883 -9.183 2.063 427 2HB ALA 55 2HB ALA 55 -3.747 -10.466 0.862 428 3HB ALA 55 3HB ALA 55 -5.075 -10.482 2.023 429 H LEU 56 H LEU 56 -5.582 -6.589 1.180 430 HA LEU 56 HA LEU 56 -7.819 -7.123 2.965 431 1HB LEU 56 1HB LEU 56 -6.073 -5.331 3.364 432 2HB LEU 56 2HB LEU 56 -6.801 -4.432 2.036 433 HG LEU 56 HG LEU 56 -9.032 -4.731 3.331 434 1HD1 LEU 56 1HD1 LEU 56 -7.003 -5.396 5.475 435 2HD1 LEU 56 2HD1 LEU 56 -8.612 -4.786 5.842 436 3HD1 LEU 56 3HD1 LEU 56 -8.429 -6.323 5.011 437 1HD2 LEU 56 1HD2 LEU 56 -6.785 -2.942 4.286 438 2HD2 LEU 56 2HD2 LEU 56 -8.048 -2.558 3.113 439 3HD2 LEU 56 3HD2 LEU 56 -8.458 -2.760 4.814 440 H ILE 57 H ILE 57 -7.558 -4.760 0.274 441 HA ILE 57 HA ILE 57 -10.266 -4.378 -0.198 442 HB ILE 57 HB ILE 57 -8.358 -4.797 -2.508 443 1HG1 ILE 57 1HG1 ILE 57 -7.089 -3.488 -0.919 444 2HG1 ILE 57 2HG1 ILE 57 -7.714 -2.374 -2.134 445 1HG2 ILE 57 1HG2 ILE 57 -10.839 -4.226 -2.793 446 2HG2 ILE 57 2HG2 ILE 57 -10.445 -2.652 -2.107 447 3HG2 ILE 57 3HG2 ILE 57 -9.686 -3.173 -3.611 448 1HD1 ILE 57 1HD1 ILE 57 -9.718 -2.063 -0.507 449 2HD1 ILE 57 2HD1 ILE 57 -8.652 -2.783 0.699 450 3HD1 ILE 57 3HD1 ILE 57 -8.188 -1.285 -0.107 451 H ASP 58 H ASP 58 -8.260 -7.058 -1.384 452 HA ASP 58 HA ASP 58 -10.249 -8.299 -2.994 453 1HB ASP 58 1HB ASP 58 -7.932 -9.465 -1.422 454 2HB ASP 58 2HB ASP 58 -8.923 -10.409 -2.536 455 H GLU 59 H GLU 59 -9.523 -8.549 0.485 456 HA GLU 59 HA GLU 59 -11.667 -10.492 0.851 457 1HB GLU 59 1HB GLU 59 -10.820 -10.859 2.964 458 2HB GLU 59 2HB GLU 59 -9.388 -10.207 2.181 459 1HG GLU 59 1HG GLU 59 -9.922 -7.986 3.089 460 2HG GLU 59 2HG GLU 59 -11.322 -8.660 3.914 461 H ILE 60 H ILE 60 -11.324 -6.993 1.174 462 HA ILE 60 HA ILE 60 -13.750 -6.633 2.712 463 HB ILE 60 HB ILE 60 -12.738 -4.664 0.635 464 1HG1 ILE 60 1HG1 ILE 60 -10.823 -5.153 1.948 465 2HG1 ILE 60 2HG1 ILE 60 -11.458 -3.641 2.554 466 1HG2 ILE 60 1HG2 ILE 60 -14.945 -4.263 1.717 467 2HG2 ILE 60 2HG2 ILE 60 -14.150 -4.283 3.291 468 3HG2 ILE 60 3HG2 ILE 60 -13.759 -3.022 2.122 469 1HD1 ILE 60 1HD1 ILE 60 -12.744 -5.173 4.242 470 2HD1 ILE 60 2HD1 ILE 60 -11.519 -6.361 3.803 471 3HD1 ILE 60 3HD1 ILE 60 -11.037 -4.828 4.517 472 H LEU 61 H LEU 61 -13.013 -6.452 -0.743 473 HA LEU 61 HA LEU 61 -15.677 -6.048 -1.657 474 1HB LEU 61 1HB LEU 61 -13.243 -7.261 -3.004 475 2HB LEU 61 2HB LEU 61 -14.737 -6.861 -3.857 476 HG LEU 61 HG LEU 61 -13.050 -4.892 -2.279 477 1HD1 LEU 61 1HD1 LEU 61 -13.320 -5.323 -5.271 478 2HD1 LEU 61 2HD1 LEU 61 -12.419 -4.012 -4.507 479 3HD1 LEU 61 3HD1 LEU 61 -11.893 -5.683 -4.298 480 1HD2 LEU 61 1HD2 LEU 61 -15.654 -4.698 -3.774 481 2HD2 LEU 61 2HD2 LEU 61 -15.155 -3.898 -2.283 482 3HD2 LEU 61 3HD2 LEU 61 -14.554 -3.324 -3.832 483 H ALA 62 H ALA 62 -13.822 -9.028 -1.097 484 HA ALA 62 HA ALA 62 -15.749 -10.829 -2.199 485 1HB ALA 62 1HB ALA 62 -13.757 -11.233 0.052 486 2HB ALA 62 2HB ALA 62 -13.487 -11.572 -1.657 487 3HB ALA 62 3HB ALA 62 -14.649 -12.531 -0.741 488 H ALA 63 H ALA 63 -15.654 -9.049 0.782 489 HA ALA 63 HA ALA 63 -17.390 -10.629 2.382 490 1HB ALA 63 1HB ALA 63 -16.046 -8.552 3.055 491 2HB ALA 63 2HB ALA 63 -17.370 -7.607 2.373 492 3HB ALA 63 3HB ALA 63 -17.667 -8.690 3.733 493 H LEU 64 H LEU 64 -18.109 -8.188 -0.100 494 HA LEU 64 HA LEU 64 -20.896 -7.985 0.357 495 1HB LEU 64 1HB LEU 64 -19.426 -7.844 -2.292 496 2HB LEU 64 2HB LEU 64 -21.026 -7.184 -1.975 497 HG LEU 64 HG LEU 64 -18.581 -6.351 -0.398 498 1HD1 LEU 64 1HD1 LEU 64 -18.217 -5.853 -2.786 499 2HD1 LEU 64 2HD1 LEU 64 -19.776 -5.031 -2.851 500 3HD1 LEU 64 3HD1 LEU 64 -18.473 -4.372 -1.863 501 1HD2 LEU 64 1HD2 LEU 64 -21.392 -5.274 -0.741 502 2HD2 LEU 64 2HD2 LEU 64 -20.572 -5.727 0.753 503 3HD2 LEU 64 3HD2 LEU 64 -20.084 -4.275 -0.113 504 HA PRO 65 HA PRO 65 -22.341 -12.025 -0.898 505 1HB PRO 65 1HB PRO 65 -24.760 -11.221 -2.136 506 2HB PRO 65 2HB PRO 65 -24.538 -11.612 -0.426 507 1HG PRO 65 1HG PRO 65 -24.814 -8.961 -1.718 508 2HG PRO 65 2HG PRO 65 -25.143 -9.434 -0.046 509 1HD PRO 65 1HD PRO 65 -22.926 -7.939 -0.878 510 2HD PRO 65 2HD PRO 65 -23.024 -8.847 0.652 No H/Q in entry = 510 Start of MODEL 11 1 H1 MET 1 H1 MET 1 27.654 14.829 -0.892 2 H2 MET 1 H2 MET 1 26.833 16.252 -1.324 3 H3 MET 1 H3 MET 1 27.865 15.492 -2.440 4 HA MET 1 HA MET 1 29.338 17.028 -1.757 5 1HB MET 1 1HB MET 1 29.168 18.120 0.479 6 2HB MET 1 2HB MET 1 27.674 18.251 -0.449 7 1HG MET 1 1HG MET 1 26.855 16.178 0.760 8 2HG MET 1 2HG MET 1 28.269 16.316 1.804 9 1HE MET 1 1HE MET 1 25.435 18.430 0.192 10 2HE MET 1 2HE MET 1 24.682 17.231 1.239 11 3HE MET 1 3HE MET 1 24.545 18.953 1.618 12 H LYS 2 H LYS 2 31.164 17.101 0.033 13 HA LYS 2 HA LYS 2 31.858 14.264 0.661 14 1HB LYS 2 1HB LYS 2 33.540 16.786 0.515 15 2HB LYS 2 2HB LYS 2 34.160 15.210 1.007 16 1HG LYS 2 1HG LYS 2 33.634 14.247 -1.144 17 2HG LYS 2 2HG LYS 2 32.765 15.700 -1.634 18 1HD LYS 2 1HD LYS 2 35.028 15.629 -2.637 19 2HD LYS 2 2HD LYS 2 34.847 17.003 -1.548 20 1HE LYS 2 1HE LYS 2 36.999 15.553 -1.358 21 2HE LYS 2 2HE LYS 2 36.166 16.009 0.127 22 1HZ LYS 2 1HZ LYS 2 35.775 13.445 -1.322 23 2HZ LYS 2 2HZ LYS 2 36.751 13.642 0.054 24 3HZ LYS 2 3HZ LYS 2 35.075 13.880 0.163 25 H ALA 3 H ALA 3 31.533 13.613 2.723 26 HA ALA 3 HA ALA 3 32.317 15.271 4.987 27 1HB ALA 3 1HB ALA 3 29.863 15.023 5.949 28 2HB ALA 3 2HB ALA 3 30.251 16.360 4.866 29 3HB ALA 3 3HB ALA 3 29.421 14.934 4.245 30 H ILE 4 H ILE 4 30.643 12.391 3.774 31 HA ILE 4 HA ILE 4 31.843 10.827 6.030 32 HB ILE 4 HB ILE 4 29.630 9.395 5.758 33 1HG1 ILE 4 1HG1 ILE 4 27.661 10.816 5.288 34 2HG1 ILE 4 2HG1 ILE 4 28.719 12.161 4.880 35 1HG2 ILE 4 1HG2 ILE 4 29.765 12.051 7.214 36 2HG2 ILE 4 2HG2 ILE 4 28.553 10.807 7.523 37 3HG2 ILE 4 3HG2 ILE 4 30.256 10.477 7.841 38 1HD1 ILE 4 1HD1 ILE 4 29.050 9.539 3.443 39 2HD1 ILE 4 2HD1 ILE 4 27.751 10.635 2.971 40 3HD1 ILE 4 3HD1 ILE 4 29.425 11.172 2.892 41 H PHE 5 H PHE 5 32.136 8.537 5.516 42 HA PHE 5 HA PHE 5 32.605 8.105 2.582 43 1HB PHE 5 1HB PHE 5 34.579 8.024 4.161 44 2HB PHE 5 2HB PHE 5 33.837 6.614 4.917 45 HD1 PHE 5 HD1 PHE 5 33.681 4.475 3.728 46 HD2 PHE 5 HD2 PHE 5 35.446 7.924 1.877 47 HE1 PHE 5 HE1 PHE 5 34.626 3.033 1.949 48 HE2 PHE 5 HE2 PHE 5 36.393 6.483 0.096 49 HZ PHE 5 HZ PHE 5 35.983 4.037 0.132 50 H VAL 6 H VAL 6 31.071 6.816 5.464 51 HA VAL 6 HA VAL 6 29.965 4.534 3.852 52 HB VAL 6 HB VAL 6 30.301 4.807 6.851 53 1HG1 VAL 6 1HG1 VAL 6 29.184 2.627 5.073 54 2HG1 VAL 6 2HG1 VAL 6 29.707 2.326 6.730 55 3HG1 VAL 6 3HG1 VAL 6 28.380 3.445 6.413 56 1HG2 VAL 6 1HG2 VAL 6 31.760 3.124 4.787 57 2HG2 VAL 6 2HG2 VAL 6 32.438 4.481 5.687 58 3HG2 VAL 6 3HG2 VAL 6 31.983 3.003 6.531 59 H LEU 7 H LEU 7 27.861 4.766 3.337 60 HA LEU 7 HA LEU 7 25.981 5.912 5.318 61 1HB LEU 7 1HB LEU 7 26.922 7.698 3.596 62 2HB LEU 7 2HB LEU 7 25.800 6.927 2.478 63 HG LEU 7 HG LEU 7 25.078 8.108 5.180 64 1HD1 LEU 7 1HD1 LEU 7 25.606 9.799 3.455 65 2HD1 LEU 7 2HD1 LEU 7 24.448 9.040 2.362 66 3HD1 LEU 7 3HD1 LEU 7 23.888 9.800 3.851 67 1HD2 LEU 7 1HD2 LEU 7 23.524 6.564 3.103 68 2HD2 LEU 7 2HD2 LEU 7 23.526 6.373 4.856 69 3HD2 LEU 7 3HD2 LEU 7 22.703 7.747 4.121 70 H ASN 8 H ASN 8 24.349 4.410 5.416 71 HA ASN 8 HA ASN 8 23.962 2.557 3.146 72 1HB ASN 8 1HB ASN 8 22.585 2.686 5.849 73 2HB ASN 8 2HB ASN 8 22.364 1.410 4.653 74 2HD2 ASN 8 2HD2 ASN 8 23.878 1.792 7.485 75 1HD2 ASN 8 1HD2 ASN 8 25.304 0.912 7.215 76 H ALA 9 H ALA 9 22.218 2.606 1.768 77 HA ALA 9 HA ALA 9 20.751 5.042 1.463 78 1HB ALA 9 1HB ALA 9 20.094 2.307 0.331 79 2HB ALA 9 2HB ALA 9 19.504 3.856 -0.274 80 3HB ALA 9 3HB ALA 9 21.218 3.457 -0.395 81 H GLN 10 H GLN 10 19.881 1.932 2.937 82 HA GLN 10 HA GLN 10 17.118 2.609 3.381 83 1HB GLN 10 1HB GLN 10 17.427 0.766 5.255 84 2HB GLN 10 2HB GLN 10 17.482 0.311 3.555 85 1HG GLN 10 1HG GLN 10 20.032 1.116 4.952 86 2HG GLN 10 2HG GLN 10 19.386 -0.508 5.186 87 2HE2 GLN 10 2HE2 GLN 10 18.418 -1.215 2.709 88 1HE2 GLN 10 1HE2 GLN 10 19.651 -1.173 1.543 89 H HIS 11 H HIS 11 20.038 3.543 4.981 90 HA HIS 11 HA HIS 11 18.644 4.260 7.489 91 1HB HIS 11 1HB HIS 11 21.497 4.615 6.538 92 2HB HIS 11 2HB HIS 11 20.916 5.189 8.098 93 HD1 HIS 11 HD1 HIS 11 19.648 1.959 6.666 94 HD2 HIS 11 HD2 HIS 11 22.393 3.221 9.540 95 HE1 HIS 11 HE1 HIS 11 20.317 -0.105 7.973 96 H ASP 12 H ASP 12 18.797 5.606 4.471 97 HA ASP 12 HA ASP 12 18.073 8.258 5.538 98 1HB ASP 12 1HB ASP 12 20.604 8.210 5.216 99 2HB ASP 12 2HB ASP 12 20.290 8.055 3.487 100 H GLU 13 H GLU 13 19.019 8.754 2.429 101 HA GLU 13 HA GLU 13 16.375 8.939 1.409 102 1HB GLU 13 1HB GLU 13 18.391 10.125 0.485 103 2HB GLU 13 2HB GLU 13 18.916 8.590 -0.208 104 1HG GLU 13 1HG GLU 13 17.728 9.837 -1.920 105 2HG GLU 13 2HG GLU 13 16.728 8.467 -1.438 106 H ALA 14 H ALA 14 15.109 7.529 0.239 107 HA ALA 14 HA ALA 14 16.104 4.710 -0.038 108 1HB ALA 14 1HB ALA 14 13.280 5.797 0.208 109 2HB ALA 14 2HB ALA 14 13.689 4.100 -0.041 110 3HB ALA 14 3HB ALA 14 14.169 4.912 1.449 111 H VAL 15 H VAL 15 15.637 3.622 -2.035 112 HA VAL 15 HA VAL 15 15.896 5.211 -4.379 113 HB VAL 15 HB VAL 15 14.961 2.355 -3.988 114 1HG1 VAL 15 1HG1 VAL 15 15.483 3.936 -6.512 115 2HG1 VAL 15 2HG1 VAL 15 15.574 2.175 -6.472 116 3HG1 VAL 15 3HG1 VAL 15 14.054 2.988 -6.098 117 1HG2 VAL 15 1HG2 VAL 15 17.294 2.853 -3.348 118 2HG2 VAL 15 2HG2 VAL 15 17.238 1.836 -4.788 119 3HG2 VAL 15 3HG2 VAL 15 17.580 3.560 -4.938 120 H ASP 16 H ASP 16 13.008 3.526 -3.082 121 HA ASP 16 HA ASP 16 11.294 5.646 -4.200 122 1HB ASP 16 1HB ASP 16 11.166 2.775 -5.157 123 2HB ASP 16 2HB ASP 16 9.842 3.922 -5.366 124 H ALA 17 H ALA 17 10.876 5.911 -1.894 125 HA ALA 17 HA ALA 17 9.546 3.677 -0.484 126 1HB ALA 17 1HB ALA 17 10.221 6.515 0.347 127 2HB ALA 17 2HB ALA 17 11.070 5.043 0.823 128 3HB ALA 17 3HB ALA 17 9.429 5.341 1.397 129 H ASN 18 H ASN 18 8.702 6.418 -2.387 130 HA ASN 18 HA ASN 18 6.096 6.923 -1.250 131 1HB ASN 18 1HB ASN 18 5.690 8.233 -3.258 132 2HB ASN 18 2HB ASN 18 7.339 8.534 -2.712 133 2HD2 ASN 18 2HD2 ASN 18 5.651 8.019 -5.497 134 1HD2 ASN 18 1HD2 ASN 18 6.847 7.252 -6.428 135 H SER 19 H SER 19 7.338 4.457 -3.332 136 HA SER 19 HA SER 19 5.003 3.804 -4.817 137 1HB SER 19 1HB SER 19 7.248 2.063 -3.773 138 2HB SER 19 2HB SER 19 5.999 1.477 -4.867 139 HG SER 19 HG SER 19 7.764 2.185 -6.060 140 H LEU 20 H LEU 20 6.015 2.827 -1.547 141 HA LEU 20 HA LEU 20 3.923 0.944 -1.081 142 1HB LEU 20 1HB LEU 20 6.050 1.567 0.344 143 2HB LEU 20 2HB LEU 20 4.977 2.733 1.113 144 HG LEU 20 HG LEU 20 4.401 -0.239 0.876 145 1HD1 LEU 20 1HD1 LEU 20 6.355 0.305 2.338 146 2HD1 LEU 20 2HD1 LEU 20 5.301 1.346 3.296 147 3HD1 LEU 20 3HD1 LEU 20 4.998 -0.390 3.225 148 1HD2 LEU 20 1HD2 LEU 20 2.959 2.104 2.111 149 2HD2 LEU 20 2HD2 LEU 20 2.310 0.786 1.137 150 3HD2 LEU 20 3HD2 LEU 20 2.772 0.494 2.809 151 H ALA 21 H ALA 21 4.108 4.432 -0.357 152 HA ALA 21 HA ALA 21 1.519 4.703 0.748 153 1HB ALA 21 1HB ALA 21 3.016 6.779 -0.870 154 2HB ALA 21 2HB ALA 21 3.327 6.435 0.831 155 3HB ALA 21 3HB ALA 21 1.763 7.079 0.335 156 H GLU 22 H GLU 22 2.598 4.861 -2.644 157 HA GLU 22 HA GLU 22 0.157 5.799 -3.754 158 1HB GLU 22 1HB GLU 22 2.354 5.538 -4.979 159 2HB GLU 22 2HB GLU 22 2.020 3.808 -5.061 160 1HG GLU 22 1HG GLU 22 -0.091 4.261 -6.246 161 2HG GLU 22 2HG GLU 22 0.233 5.993 -6.167 162 H ALA 23 H ALA 23 1.206 2.472 -2.996 163 HA ALA 23 HA ALA 23 -1.037 1.155 -4.164 164 1HB ALA 23 1HB ALA 23 -0.533 -0.679 -2.536 165 2HB ALA 23 2HB ALA 23 0.900 -0.121 -3.398 166 3HB ALA 23 3HB ALA 23 0.615 0.393 -1.734 167 H LYS 24 H LYS 24 -0.541 2.569 -0.948 168 HA LYS 24 HA LYS 24 -3.131 1.804 0.071 169 1HB LYS 24 1HB LYS 24 -1.147 3.941 0.893 170 2HB LYS 24 2HB LYS 24 -2.634 3.607 1.783 171 1HG LYS 24 1HG LYS 24 -1.947 1.326 2.204 172 2HG LYS 24 2HG LYS 24 -0.542 1.509 1.152 173 1HD LYS 24 1HD LYS 24 0.478 3.086 2.655 174 2HD LYS 24 2HD LYS 24 -0.991 3.192 3.629 175 1HE LYS 24 1HE LYS 24 0.992 1.633 4.411 176 2HE LYS 24 2HE LYS 24 -0.678 1.088 4.579 177 1HZ LYS 24 1HZ LYS 24 0.680 0.530 2.053 178 2HZ LYS 24 2HZ LYS 24 1.152 -0.377 3.410 179 3HZ LYS 24 3HZ LYS 24 -0.466 -0.393 2.895 180 H VAL 25 H VAL 25 -1.869 4.717 -1.545 181 HA VAL 25 HA VAL 25 -4.272 6.261 -1.265 182 HB VAL 25 HB VAL 25 -2.028 6.385 -3.289 183 1HG1 VAL 25 1HG1 VAL 25 -4.424 8.183 -2.887 184 2HG1 VAL 25 2HG1 VAL 25 -2.958 8.722 -3.706 185 3HG1 VAL 25 3HG1 VAL 25 -3.904 7.392 -4.375 186 1HG2 VAL 25 1HG2 VAL 25 -1.549 6.895 -0.862 187 2HG2 VAL 25 2HG2 VAL 25 -1.249 8.245 -1.956 188 3HG2 VAL 25 3HG2 VAL 25 -2.714 8.214 -0.975 189 H LEU 26 H LEU 26 -3.088 4.114 -3.855 190 HA LEU 26 HA LEU 26 -5.273 4.500 -5.645 191 1HB LEU 26 1HB LEU 26 -3.420 2.154 -5.175 192 2HB LEU 26 2HB LEU 26 -4.625 2.159 -6.459 193 HG LEU 26 HG LEU 26 -2.575 4.368 -6.147 194 1HD1 LEU 26 1HD1 LEU 26 -2.395 1.802 -7.754 195 2HD1 LEU 26 2HD1 LEU 26 -1.306 3.176 -7.949 196 3HD1 LEU 26 3HD1 LEU 26 -1.342 2.287 -6.426 197 1HD2 LEU 26 1HD2 LEU 26 -4.504 3.488 -8.311 198 2HD2 LEU 26 2HD2 LEU 26 -4.290 5.092 -7.618 199 3HD2 LEU 26 3HD2 LEU 26 -3.076 4.440 -8.711 200 H ALA 27 H ALA 27 -4.828 2.230 -2.955 201 HA ALA 27 HA ALA 27 -7.353 0.881 -3.380 202 1HB ALA 27 1HB ALA 27 -5.442 -0.102 -2.107 203 2HB ALA 27 2HB ALA 27 -5.707 1.098 -0.843 204 3HB ALA 27 3HB ALA 27 -6.946 -0.110 -1.187 205 H ASN 28 H ASN 28 -6.341 3.763 -1.686 206 HA ASN 28 HA ASN 28 -8.537 4.103 0.084 207 1HB ASN 28 1HB ASN 28 -6.371 5.459 -0.050 208 2HB ASN 28 2HB ASN 28 -7.129 6.351 -1.367 209 2HD2 ASN 28 2HD2 ASN 28 -7.278 5.717 2.115 210 1HD2 ASN 28 1HD2 ASN 28 -8.363 6.973 2.475 211 H ARG 29 H ARG 29 -8.133 5.296 -3.284 212 HA ARG 29 HA ARG 29 -10.761 6.476 -3.335 213 1HB ARG 29 1HB ARG 29 -10.383 6.428 -5.878 214 2HB ARG 29 2HB ARG 29 -9.265 7.378 -4.906 215 1HG ARG 29 1HG ARG 29 -7.568 5.700 -5.038 216 2HG ARG 29 2HG ARG 29 -8.704 4.504 -5.645 217 1HD ARG 29 1HD ARG 29 -8.303 5.138 -7.790 218 2HD ARG 29 2HD ARG 29 -8.694 6.812 -7.432 219 HE ARG 29 HE ARG 29 -6.088 5.759 -7.916 220 1HH1 ARG 29 1HH1 ARG 29 -4.217 6.842 -7.295 221 2HH1 ARG 29 2HH1 ARG 29 -4.299 8.044 -6.053 222 1HH2 ARG 29 1HH2 ARG 29 -7.708 7.710 -5.581 223 2HH2 ARG 29 2HH2 ARG 29 -6.272 8.534 -5.085 224 H GLU 30 H GLU 30 -9.594 3.227 -4.026 225 HA GLU 30 HA GLU 30 -11.815 2.344 -5.577 226 1HB GLU 30 1HB GLU 30 -10.035 0.844 -3.642 227 2HB GLU 30 2HB GLU 30 -11.251 0.054 -4.648 228 1HG GLU 30 1HG GLU 30 -10.177 0.790 -6.663 229 2HG GLU 30 2HG GLU 30 -9.075 1.833 -5.765 230 H LEU 31 H LEU 31 -11.377 2.353 -2.035 231 HA LEU 31 HA LEU 31 -13.998 1.221 -1.529 232 1HB LEU 31 1HB LEU 31 -12.399 3.005 0.330 233 2HB LEU 31 2HB LEU 31 -13.593 1.790 0.775 234 HG LEU 31 HG LEU 31 -10.883 1.326 -0.472 235 1HD1 LEU 31 1HD1 LEU 31 -12.132 0.714 2.215 236 2HD1 LEU 31 2HD1 LEU 31 -10.707 -0.152 1.646 237 3HD1 LEU 31 3HD1 LEU 31 -10.642 1.591 1.881 238 1HD2 LEU 31 1HD2 LEU 31 -13.249 -0.521 -0.091 239 2HD2 LEU 31 2HD2 LEU 31 -12.243 -0.307 -1.524 240 3HD2 LEU 31 3HD2 LEU 31 -11.606 -1.159 -0.121 241 H ASP 32 H ASP 32 -12.697 4.415 -1.992 242 HA ASP 32 HA ASP 32 -14.855 5.974 -1.026 243 1HB ASP 32 1HB ASP 32 -12.568 6.763 -1.713 244 2HB ASP 32 2HB ASP 32 -13.079 6.588 -3.390 245 H LYS 33 H LYS 33 -14.325 4.553 -4.291 246 HA LYS 33 HA LYS 33 -16.726 5.752 -5.376 247 1HB LYS 33 1HB LYS 33 -16.468 3.939 -7.163 248 2HB LYS 33 2HB LYS 33 -15.122 5.061 -6.990 249 1HG LYS 33 1HG LYS 33 -13.887 3.458 -5.664 250 2HG LYS 33 2HG LYS 33 -15.255 2.344 -5.658 251 1HD LYS 33 1HD LYS 33 -13.903 3.288 -8.203 252 2HD LYS 33 2HD LYS 33 -13.405 1.830 -7.349 253 1HE LYS 33 1HE LYS 33 -15.950 1.182 -7.512 254 2HE LYS 33 2HE LYS 33 -15.982 2.381 -8.804 255 1HZ LYS 33 1HZ LYS 33 -13.810 0.434 -8.833 256 2HZ LYS 33 2HZ LYS 33 -15.361 -0.128 -9.238 257 3HZ LYS 33 3HZ LYS 33 -14.656 1.137 -10.125 258 H TYR 34 H TYR 34 -16.047 2.607 -3.848 259 HA TYR 34 HA TYR 34 -18.688 1.568 -4.381 260 1HB TYR 34 1HB TYR 34 -16.571 0.768 -2.366 261 2HB TYR 34 2HB TYR 34 -18.101 -0.091 -2.545 262 HD1 TYR 34 HD1 TYR 34 -14.747 -0.088 -3.588 263 HD2 TYR 34 HD2 TYR 34 -18.728 -0.608 -5.129 264 HE1 TYR 34 HE1 TYR 34 -13.838 -1.327 -5.528 265 HE2 TYR 34 HE2 TYR 34 -17.812 -1.848 -7.064 266 HH TYR 34 HH TYR 34 -15.987 -2.556 -8.096 267 H GLY 35 H GLY 35 -17.328 3.576 -1.845 268 1HA GLY 35 1HA GLY 35 -20.029 4.253 -0.965 269 2HA GLY 35 2HA GLY 35 -18.534 4.941 -0.337 270 H VAL 36 H VAL 36 -17.336 2.345 0.340 271 HA VAL 36 HA VAL 36 -19.198 1.092 2.232 272 HB VAL 36 HB VAL 36 -17.101 -0.205 2.884 273 1HG1 VAL 36 1HG1 VAL 36 -18.156 -0.168 0.049 274 2HG1 VAL 36 2HG1 VAL 36 -17.055 -1.413 0.635 275 3HG1 VAL 36 3HG1 VAL 36 -18.646 -1.228 1.370 276 1HG2 VAL 36 1HG2 VAL 36 -15.597 1.675 1.987 277 2HG2 VAL 36 2HG2 VAL 36 -15.136 0.026 1.566 278 3HG2 VAL 36 3HG2 VAL 36 -15.957 1.042 0.380 279 H SER 37 H SER 37 -17.919 0.713 4.540 280 HA SER 37 HA SER 37 -18.085 3.210 5.881 281 1HB SER 37 1HB SER 37 -16.740 0.620 6.679 282 2HB SER 37 2HB SER 37 -16.885 2.002 7.759 283 HG SER 37 HG SER 37 -18.607 0.370 7.856 284 H ASP 38 H ASP 38 -16.558 4.743 6.433 285 HA ASP 38 HA ASP 38 -14.158 4.914 4.834 286 1HB ASP 38 1HB ASP 38 -15.149 6.518 7.205 287 2HB ASP 38 2HB ASP 38 -13.675 6.911 6.319 288 H TYR 39 H TYR 39 -14.888 3.384 7.794 289 HA TYR 39 HA TYR 39 -12.414 3.567 9.179 290 1HB TYR 39 1HB TYR 39 -14.338 2.585 10.267 291 2HB TYR 39 2HB TYR 39 -14.461 1.333 9.029 292 HD1 TYR 39 HD1 TYR 39 -12.627 2.473 12.005 293 HD2 TYR 39 HD2 TYR 39 -12.840 -0.483 8.900 294 HE1 TYR 39 HE1 TYR 39 -11.051 1.032 13.267 295 HE2 TYR 39 HE2 TYR 39 -11.273 -1.920 10.153 296 HH TYR 39 HH TYR 39 -10.049 -0.949 13.362 297 H TYR 40 H TYR 40 -13.485 1.390 6.595 298 HA TYR 40 HA TYR 40 -11.270 -0.363 6.570 299 1HB TYR 40 1HB TYR 40 -13.078 0.613 4.350 300 2HB TYR 40 2HB TYR 40 -11.855 -0.636 4.107 301 HD1 TYR 40 HD1 TYR 40 -11.875 -2.590 5.893 302 HD2 TYR 40 HD2 TYR 40 -15.225 -0.046 5.023 303 HE1 TYR 40 HE1 TYR 40 -13.414 -4.300 6.817 304 HE2 TYR 40 HE2 TYR 40 -16.764 -1.755 5.951 305 HH TYR 40 HH TYR 40 -16.625 -3.658 7.588 306 H LYS 41 H LYS 41 -11.661 2.833 4.989 307 HA LYS 41 HA LYS 41 -9.227 2.749 3.509 308 1HB LYS 41 1HB LYS 41 -10.720 5.086 4.734 309 2HB LYS 41 2HB LYS 41 -9.307 5.277 3.694 310 1HG LYS 41 1HG LYS 41 -10.570 3.890 1.964 311 2HG LYS 41 2HG LYS 41 -12.000 4.103 2.975 312 1HD LYS 41 1HD LYS 41 -10.308 6.340 1.833 313 2HD LYS 41 2HD LYS 41 -11.868 5.826 1.199 314 1HE LYS 41 1HE LYS 41 -12.754 6.276 3.588 315 2HE LYS 41 2HE LYS 41 -11.255 7.173 3.821 316 1HZ LYS 41 1HZ LYS 41 -13.033 7.661 1.509 317 2HZ LYS 41 2HZ LYS 41 -13.245 8.467 2.989 318 3HZ LYS 41 3HZ LYS 41 -11.801 8.659 2.120 319 H ASN 42 H ASN 42 -9.984 3.880 6.767 320 HA ASN 42 HA ASN 42 -7.371 4.720 7.467 321 1HB ASN 42 1HB ASN 42 -9.362 5.248 8.829 322 2HB ASN 42 2HB ASN 42 -9.519 3.542 9.253 323 2HD2 ASN 42 2HD2 ASN 42 -9.230 4.438 11.554 324 1HD2 ASN 42 1HD2 ASN 42 -7.645 4.663 12.119 325 H LEU 43 H LEU 43 -8.939 1.548 7.703 326 HA LEU 43 HA LEU 43 -6.864 0.222 9.121 327 1HB LEU 43 1HB LEU 43 -9.105 -0.746 8.772 328 2HB LEU 43 2HB LEU 43 -8.779 -0.888 7.047 329 HG LEU 43 HG LEU 43 -6.920 -2.442 7.517 330 1HD1 LEU 43 1HD1 LEU 43 -7.657 -1.778 10.368 331 2HD1 LEU 43 2HD1 LEU 43 -6.954 -3.350 9.989 332 3HD1 LEU 43 3HD1 LEU 43 -6.056 -1.879 9.631 333 1HD2 LEU 43 1HD2 LEU 43 -9.308 -3.217 7.241 334 2HD2 LEU 43 2HD2 LEU 43 -8.297 -4.325 8.170 335 3HD2 LEU 43 3HD2 LEU 43 -9.435 -3.261 8.997 336 H ILE 44 H ILE 44 -7.326 0.785 5.640 337 HA ILE 44 HA ILE 44 -5.126 -0.780 4.722 338 HB ILE 44 HB ILE 44 -6.400 1.725 3.589 339 1HG1 ILE 44 1HG1 ILE 44 -6.546 -1.168 2.696 340 2HG1 ILE 44 2HG1 ILE 44 -7.730 -0.414 3.765 341 1HG2 ILE 44 1HG2 ILE 44 -4.205 -0.051 2.513 342 2HG2 ILE 44 2HG2 ILE 44 -5.230 0.902 1.442 343 3HG2 ILE 44 3HG2 ILE 44 -4.219 1.706 2.641 344 1HD1 ILE 44 1HD1 ILE 44 -7.028 0.654 1.021 345 2HD1 ILE 44 2HD1 ILE 44 -8.399 -0.406 1.337 346 3HD1 ILE 44 3HD1 ILE 44 -8.336 1.195 2.065 347 H ASN 45 H ASN 45 -5.326 2.564 5.874 348 HA ASN 45 HA ASN 45 -2.677 3.372 5.282 349 1HB ASN 45 1HB ASN 45 -4.411 4.928 6.102 350 2HB ASN 45 2HB ASN 45 -4.391 4.129 7.672 351 2HD2 ASN 45 2HD2 ASN 45 -3.724 6.920 7.364 352 1HD2 ASN 45 1HD2 ASN 45 -2.084 7.111 7.756 353 H ASN 46 H ASN 46 -3.979 1.527 8.013 354 HA ASN 46 HA ASN 46 -1.509 1.475 9.507 355 1HB ASN 46 1HB ASN 46 -3.966 -0.297 9.558 356 2HB ASN 46 2HB ASN 46 -2.616 -0.480 10.679 357 2HD2 ASN 46 2HD2 ASN 46 -1.965 2.166 11.289 358 1HD2 ASN 46 1HD2 ASN 46 -3.288 2.936 12.022 359 H ALA 47 H ALA 47 -2.642 -0.264 6.731 360 HA ALA 47 HA ALA 47 -1.258 -2.718 6.996 361 1HB ALA 47 1HB ALA 47 -2.875 -2.053 5.151 362 2HB ALA 47 2HB ALA 47 -1.436 -2.917 4.607 363 3HB ALA 47 3HB ALA 47 -1.541 -1.167 4.410 364 H LYS 48 H LYS 48 0.890 -3.203 7.026 365 HA LYS 48 HA LYS 48 2.840 -1.027 6.392 366 1HB LYS 48 1HB LYS 48 3.157 -3.614 7.941 367 2HB LYS 48 2HB LYS 48 4.456 -2.461 7.638 368 1HG LYS 48 1HG LYS 48 3.173 -0.702 8.797 369 2HG LYS 48 2HG LYS 48 1.874 -1.855 9.105 370 1HD LYS 48 1HD LYS 48 3.429 -3.266 10.403 371 2HD LYS 48 2HD LYS 48 4.728 -2.112 10.098 372 1HE LYS 48 1HE LYS 48 2.133 -1.446 11.520 373 2HE LYS 48 2HE LYS 48 3.662 -1.782 12.331 374 1HZ LYS 48 1HZ LYS 48 4.591 0.059 10.863 375 2HZ LYS 48 2HZ LYS 48 2.973 0.490 10.570 376 3HZ LYS 48 3HZ LYS 48 3.586 0.525 12.152 377 H THR 49 H THR 49 1.443 -3.577 4.832 378 HA THR 49 HA THR 49 3.886 -4.029 3.140 379 HB THR 49 HB THR 49 3.169 -6.356 2.841 380 HG1 THR 49 HG1 THR 49 1.200 -6.843 3.313 381 1HG2 THR 49 1HG2 THR 49 3.319 -5.497 5.743 382 2HG2 THR 49 2HG2 THR 49 3.562 -7.146 5.165 383 3HG2 THR 49 3HG2 THR 49 4.687 -5.871 4.694 384 H VAL 50 H VAL 50 3.508 -3.969 0.928 385 HA VAL 50 HA VAL 50 1.066 -2.711 0.037 386 HB VAL 50 HB VAL 50 2.008 -2.990 -2.231 387 1HG1 VAL 50 1HG1 VAL 50 2.814 -1.218 -0.547 388 2HG1 VAL 50 2HG1 VAL 50 4.243 -2.232 -0.343 389 3HG1 VAL 50 3HG1 VAL 50 3.869 -1.542 -1.922 390 1HG2 VAL 50 1HG2 VAL 50 4.112 -4.625 -0.775 391 2HG2 VAL 50 2HG2 VAL 50 2.985 -5.220 -1.995 392 3HG2 VAL 50 3HG2 VAL 50 4.250 -4.079 -2.446 393 H GLU 51 H GLU 51 2.294 -6.031 -0.036 394 HA GLU 51 HA GLU 51 0.318 -7.137 -1.754 395 1HB GLU 51 1HB GLU 51 2.460 -8.219 -0.751 396 2HB GLU 51 2HB GLU 51 1.440 -8.615 0.630 397 1HG GLU 51 1HG GLU 51 0.793 -9.368 -2.236 398 2HG GLU 51 2HG GLU 51 1.551 -10.451 -1.070 399 H GLY 52 H GLY 52 0.302 -6.569 1.744 400 1HA GLY 52 1HA GLY 52 -1.450 -6.632 3.300 401 2HA GLY 52 2HA GLY 52 -2.203 -7.853 2.276 402 H VAL 53 H VAL 53 -1.388 -4.622 1.119 403 HA VAL 53 HA VAL 53 -3.866 -3.347 1.660 404 HB VAL 53 HB VAL 53 -1.843 -2.927 -0.550 405 1HG1 VAL 53 1HG1 VAL 53 -4.369 -1.417 0.124 406 2HG1 VAL 53 2HG1 VAL 53 -3.009 -0.623 -0.669 407 3HG1 VAL 53 3HG1 VAL 53 -3.815 -1.981 -1.452 408 1HG2 VAL 53 1HG2 VAL 53 -2.446 -1.523 2.068 409 2HG2 VAL 53 2HG2 VAL 53 -1.008 -2.465 1.684 410 3HG2 VAL 53 3HG2 VAL 53 -1.297 -0.929 0.868 411 H LYS 54 H LYS 54 -2.857 -5.088 -1.323 412 HA LYS 54 HA LYS 54 -5.440 -4.760 -2.578 413 1HB LYS 54 1HB LYS 54 -3.174 -6.706 -3.102 414 2HB LYS 54 2HB LYS 54 -4.624 -6.617 -4.096 415 1HG LYS 54 1HG LYS 54 -3.359 -5.122 -5.315 416 2HG LYS 54 2HG LYS 54 -3.935 -3.980 -4.110 417 1HD LYS 54 1HD LYS 54 -1.656 -3.567 -3.968 418 2HD LYS 54 2HD LYS 54 -1.788 -4.845 -2.763 419 1HE LYS 54 1HE LYS 54 -0.756 -5.016 -5.589 420 2HE LYS 54 2HE LYS 54 0.015 -5.556 -4.098 421 1HZ LYS 54 1HZ LYS 54 -2.538 -6.759 -4.914 422 2HZ LYS 54 2HZ LYS 54 -1.111 -7.260 -5.682 423 3HZ LYS 54 3HZ LYS 54 -1.274 -7.429 -3.998 424 H ALA 55 H ALA 55 -4.003 -7.374 -0.650 425 HA ALA 55 HA ALA 55 -6.130 -9.246 -1.032 426 1HB ALA 55 1HB ALA 55 -5.233 -10.363 0.970 427 2HB ALA 55 2HB ALA 55 -4.273 -8.931 1.345 428 3HB ALA 55 3HB ALA 55 -3.927 -9.870 -0.108 429 H LEU 56 H LEU 56 -5.898 -6.406 0.974 430 HA LEU 56 HA LEU 56 -7.918 -7.163 2.886 431 1HB LEU 56 1HB LEU 56 -6.269 -5.275 3.193 432 2HB LEU 56 2HB LEU 56 -7.176 -4.364 1.990 433 HG LEU 56 HG LEU 56 -9.247 -4.810 3.492 434 1HD1 LEU 56 1HD1 LEU 56 -6.978 -5.509 5.375 435 2HD1 LEU 56 2HD1 LEU 56 -8.560 -4.988 5.939 436 3HD1 LEU 56 3HD1 LEU 56 -8.409 -6.469 5.006 437 1HD2 LEU 56 1HD2 LEU 56 -6.964 -2.997 4.309 438 2HD2 LEU 56 2HD2 LEU 56 -8.343 -2.597 3.286 439 3HD2 LEU 56 3HD2 LEU 56 -8.580 -2.893 5.008 440 H ILE 57 H ILE 57 -7.996 -5.326 -0.157 441 HA ILE 57 HA ILE 57 -10.788 -4.732 -0.122 442 HB ILE 57 HB ILE 57 -8.771 -5.075 -2.339 443 1HG1 ILE 57 1HG1 ILE 57 -8.976 -2.682 -2.560 444 2HG1 ILE 57 2HG1 ILE 57 -10.399 -2.653 -1.523 445 1HG2 ILE 57 1HG2 ILE 57 -11.735 -4.606 -2.575 446 2HG2 ILE 57 2HG2 ILE 57 -10.612 -4.065 -3.823 447 3HG2 ILE 57 3HG2 ILE 57 -10.738 -5.779 -3.433 448 1HD1 ILE 57 1HD1 ILE 57 -7.700 -3.594 -0.553 449 2HD1 ILE 57 2HD1 ILE 57 -8.219 -1.919 -0.430 450 3HD1 ILE 57 3HD1 ILE 57 -9.109 -3.181 0.420 451 H ASP 58 H ASP 58 -8.928 -7.535 -1.224 452 HA ASP 58 HA ASP 58 -11.082 -8.950 -2.443 453 1HB ASP 58 1HB ASP 58 -8.601 -9.941 -1.008 454 2HB ASP 58 2HB ASP 58 -9.708 -11.004 -1.877 455 H GLU 59 H GLU 59 -9.984 -8.800 0.937 456 HA GLU 59 HA GLU 59 -11.929 -10.736 1.871 457 1HB GLU 59 1HB GLU 59 -10.298 -8.622 3.304 458 2HB GLU 59 2HB GLU 59 -11.369 -9.752 4.136 459 1HG GLU 59 1HG GLU 59 -10.108 -11.650 3.189 460 2HG GLU 59 2HG GLU 59 -9.035 -10.524 2.359 461 H ILE 60 H ILE 60 -11.799 -7.200 1.657 462 HA ILE 60 HA ILE 60 -14.302 -6.781 3.000 463 HB ILE 60 HB ILE 60 -12.782 -5.022 1.063 464 1HG1 ILE 60 1HG1 ILE 60 -13.024 -4.865 4.080 465 2HG1 ILE 60 2HG1 ILE 60 -11.686 -5.668 3.258 466 1HG2 ILE 60 1HG2 ILE 60 -15.201 -4.501 2.805 467 2HG2 ILE 60 2HG2 ILE 60 -14.185 -3.206 2.173 468 3HG2 ILE 60 3HG2 ILE 60 -15.055 -4.264 1.065 469 1HD1 ILE 60 1HD1 ILE 60 -11.152 -3.556 2.081 470 2HD1 ILE 60 2HD1 ILE 60 -12.471 -2.756 2.935 471 3HD1 ILE 60 3HD1 ILE 60 -11.075 -3.356 3.831 472 H LEU 61 H LEU 61 -13.443 -6.829 -0.476 473 HA LEU 61 HA LEU 61 -16.182 -6.500 -1.320 474 1HB LEU 61 1HB LEU 61 -13.665 -7.406 -2.724 475 2HB LEU 61 2HB LEU 61 -15.226 -7.413 -3.550 476 HG LEU 61 HG LEU 61 -14.000 -4.980 -2.207 477 1HD1 LEU 61 1HD1 LEU 61 -12.851 -5.962 -4.339 478 2HD1 LEU 61 2HD1 LEU 61 -14.279 -5.378 -5.187 479 3HD1 LEU 61 3HD1 LEU 61 -13.246 -4.245 -4.318 480 1HD2 LEU 61 1HD2 LEU 61 -16.590 -5.514 -3.622 481 2HD2 LEU 61 2HD2 LEU 61 -16.244 -4.416 -2.288 482 3HD2 LEU 61 3HD2 LEU 61 -15.812 -3.964 -3.933 483 H ALA 62 H ALA 62 -14.112 -9.341 -0.810 484 HA ALA 62 HA ALA 62 -15.972 -11.269 -1.820 485 1HB ALA 62 1HB ALA 62 -13.900 -11.561 0.379 486 2HB ALA 62 2HB ALA 62 -13.635 -11.862 -1.340 487 3HB ALA 62 3HB ALA 62 -14.725 -12.898 -0.420 488 H ALA 63 H ALA 63 -15.602 -9.731 1.344 489 HA ALA 63 HA ALA 63 -17.434 -11.340 2.804 490 1HB ALA 63 1HB ALA 63 -17.577 -9.462 4.359 491 2HB ALA 63 2HB ALA 63 -15.908 -9.646 3.819 492 3HB ALA 63 3HB ALA 63 -16.919 -8.370 3.140 493 H LEU 64 H LEU 64 -17.985 -8.473 0.761 494 HA LEU 64 HA LEU 64 -20.789 -8.280 1.381 495 1HB LEU 64 1HB LEU 64 -19.321 -7.346 -1.105 496 2HB LEU 64 2HB LEU 64 -20.897 -6.779 -0.566 497 HG LEU 64 HG LEU 64 -18.335 -6.501 1.032 498 1HD1 LEU 64 1HD1 LEU 64 -18.292 -5.134 -1.020 499 2HD1 LEU 64 2HD1 LEU 64 -19.865 -4.454 -0.605 500 3HD1 LEU 64 3HD1 LEU 64 -18.463 -4.114 0.407 501 1HD2 LEU 64 1HD2 LEU 64 -21.206 -5.666 1.465 502 2HD2 LEU 64 2HD2 LEU 64 -20.093 -6.434 2.597 503 3HD2 LEU 64 3HD2 LEU 64 -19.896 -4.733 2.186 504 HA PRO 65 HA PRO 65 -22.246 -11.714 -1.080 505 1HB PRO 65 1HB PRO 65 -24.678 -10.588 -1.978 506 2HB PRO 65 2HB PRO 65 -24.433 -11.469 -0.467 507 1HG PRO 65 1HG PRO 65 -24.728 -8.554 -0.906 508 2HG PRO 65 2HG PRO 65 -25.044 -9.507 0.550 509 1HD PRO 65 1HD PRO 65 -22.831 -7.826 0.182 510 2HD PRO 65 2HD PRO 65 -22.925 -9.139 1.380 No H/Q in entry = 510 Start of MODEL 12 1 H1 MET 1 H1 MET 1 24.171 1.014 -18.909 2 H2 MET 1 H2 MET 1 24.279 0.177 -20.384 3 H3 MET 1 H3 MET 1 25.680 0.481 -19.479 4 HA MET 1 HA MET 1 25.805 2.660 -20.087 5 1HB MET 1 1HB MET 1 24.256 1.369 -22.357 6 2HB MET 1 2HB MET 1 25.267 2.809 -22.494 7 1HG MET 1 1HG MET 1 26.292 0.127 -21.529 8 2HG MET 1 2HG MET 1 26.413 0.675 -23.201 9 1HE MET 1 1HE MET 1 28.773 -0.275 -21.637 10 2HE MET 1 2HE MET 1 29.808 0.899 -20.828 11 3HE MET 1 3HE MET 1 28.338 0.339 -20.036 12 H LYS 2 H LYS 2 23.863 3.853 -22.063 13 HA LYS 2 HA LYS 2 22.014 4.975 -20.050 14 1HB LYS 2 1HB LYS 2 22.553 5.642 -22.960 15 2HB LYS 2 2HB LYS 2 21.340 6.469 -21.982 16 1HG LYS 2 1HG LYS 2 23.107 7.093 -20.352 17 2HG LYS 2 2HG LYS 2 24.311 6.324 -21.384 18 1HD LYS 2 1HD LYS 2 22.494 8.575 -22.302 19 2HD LYS 2 2HD LYS 2 24.128 8.825 -21.693 20 1HE LYS 2 1HE LYS 2 24.809 7.071 -23.521 21 2HE LYS 2 2HE LYS 2 23.247 7.475 -24.235 22 1HZ LYS 2 1HZ LYS 2 24.251 9.900 -23.664 23 2HZ LYS 2 2HZ LYS 2 25.660 9.047 -24.071 24 3HZ LYS 2 3HZ LYS 2 24.375 9.139 -25.178 25 H ALA 3 H ALA 3 19.992 4.132 -19.785 26 HA ALA 3 HA ALA 3 18.353 3.335 -22.029 27 1HB ALA 3 1HB ALA 3 18.172 0.918 -21.381 28 2HB ALA 3 2HB ALA 3 19.532 1.153 -20.285 29 3HB ALA 3 3HB ALA 3 19.756 1.349 -22.022 30 H ILE 4 H ILE 4 16.470 1.800 -20.910 31 HA ILE 4 HA ILE 4 15.115 3.558 -19.107 32 HB ILE 4 HB ILE 4 14.595 0.645 -19.770 33 1HG1 ILE 4 1HG1 ILE 4 13.267 3.159 -20.834 34 2HG1 ILE 4 2HG1 ILE 4 14.580 2.328 -21.667 35 1HG2 ILE 4 1HG2 ILE 4 12.869 2.739 -18.408 36 2HG2 ILE 4 2HG2 ILE 4 12.263 1.195 -19.012 37 3HG2 ILE 4 3HG2 ILE 4 13.446 1.226 -17.705 38 1HD1 ILE 4 1HD1 ILE 4 13.137 0.218 -21.534 39 2HD1 ILE 4 2HD1 ILE 4 11.813 1.278 -21.051 40 3HD1 ILE 4 3HD1 ILE 4 12.572 1.478 -22.630 41 H PHE 5 H PHE 5 17.424 1.027 -18.575 42 HA PHE 5 HA PHE 5 16.659 0.272 -15.920 43 1HB PHE 5 1HB PHE 5 19.369 0.301 -17.281 44 2HB PHE 5 2HB PHE 5 19.073 -0.421 -15.699 45 HD1 PHE 5 HD1 PHE 5 17.710 -2.441 -15.462 46 HD2 PHE 5 HD2 PHE 5 18.452 -0.691 -19.315 47 HE1 PHE 5 HE1 PHE 5 16.900 -4.512 -16.560 48 HE2 PHE 5 HE2 PHE 5 17.640 -2.761 -20.411 49 HZ PHE 5 HZ PHE 5 16.865 -4.672 -19.035 50 H VAL 6 H VAL 6 16.061 2.572 -15.288 51 HA VAL 6 HA VAL 6 18.418 4.156 -14.338 52 HB VAL 6 HB VAL 6 15.499 4.910 -14.714 53 1HG1 VAL 6 1HG1 VAL 6 17.861 6.436 -13.594 54 2HG1 VAL 6 2HG1 VAL 6 16.464 7.259 -14.288 55 3HG1 VAL 6 3HG1 VAL 6 16.264 6.225 -12.877 56 1HG2 VAL 6 1HG2 VAL 6 18.048 5.689 -16.162 57 2HG2 VAL 6 2HG2 VAL 6 16.742 4.696 -16.810 58 3HG2 VAL 6 3HG2 VAL 6 16.465 6.404 -16.467 59 H LEU 7 H LEU 7 17.976 5.223 -12.121 60 HA LEU 7 HA LEU 7 17.605 3.190 -10.167 61 1HB LEU 7 1HB LEU 7 17.354 6.203 -9.881 62 2HB LEU 7 2HB LEU 7 17.532 5.070 -8.541 63 HG LEU 7 HG LEU 7 19.519 5.392 -10.808 64 1HD1 LEU 7 1HD1 LEU 7 19.593 6.396 -7.945 65 2HD1 LEU 7 2HD1 LEU 7 20.949 6.463 -9.071 66 3HD1 LEU 7 3HD1 LEU 7 19.485 7.390 -9.398 67 1HD2 LEU 7 1HD2 LEU 7 19.321 3.574 -8.419 68 2HD2 LEU 7 2HD2 LEU 7 19.931 3.238 -10.040 69 3HD2 LEU 7 3HD2 LEU 7 20.923 4.141 -8.897 70 H ASN 8 H ASN 8 15.376 5.641 -11.431 71 HA ASN 8 HA ASN 8 13.094 3.973 -10.691 72 1HB ASN 8 1HB ASN 8 13.499 6.693 -9.404 73 2HB ASN 8 2HB ASN 8 12.007 5.757 -9.323 74 2HD2 ASN 8 2HD2 ASN 8 12.682 3.238 -8.666 75 1HD2 ASN 8 1HD2 ASN 8 13.642 3.166 -7.267 76 H ALA 9 H ALA 9 11.968 4.110 -12.618 77 HA ALA 9 HA ALA 9 10.951 6.636 -13.563 78 1HB ALA 9 1HB ALA 9 13.065 5.367 -15.325 79 2HB ALA 9 2HB ALA 9 13.343 6.800 -14.337 80 3HB ALA 9 3HB ALA 9 12.168 6.849 -15.648 81 H GLN 10 H GLN 10 9.783 4.128 -12.962 82 HA GLN 10 HA GLN 10 9.099 2.965 -15.633 83 1HB GLN 10 1HB GLN 10 7.883 1.255 -14.090 84 2HB GLN 10 2HB GLN 10 9.643 1.211 -14.166 85 1HG GLN 10 1HG GLN 10 8.202 2.843 -12.071 86 2HG GLN 10 2HG GLN 10 8.563 1.138 -11.824 87 2HE2 GLN 10 2HE2 GLN 10 9.727 3.877 -10.744 88 1HE2 GLN 10 1HE2 GLN 10 11.398 3.618 -10.836 89 H HIS 11 H HIS 11 7.418 4.074 -16.557 90 HA HIS 11 HA HIS 11 5.467 5.542 -15.017 91 1HB HIS 11 1HB HIS 11 5.538 4.681 -17.919 92 2HB HIS 11 2HB HIS 11 4.257 5.683 -17.240 93 HD1 HIS 11 HD1 HIS 11 7.928 5.729 -18.067 94 HD2 HIS 11 HD2 HIS 11 5.012 8.357 -16.667 95 HE1 HIS 11 HE1 HIS 11 8.951 8.043 -18.152 96 H ASP 12 H ASP 12 5.407 2.373 -16.643 97 HA ASP 12 HA ASP 12 3.475 1.306 -14.797 98 1HB ASP 12 1HB ASP 12 1.565 1.068 -16.353 99 2HB ASP 12 2HB ASP 12 1.926 2.767 -16.054 100 H GLU 13 H GLU 13 5.996 0.808 -16.529 101 HA GLU 13 HA GLU 13 5.461 -1.323 -18.332 102 1HB GLU 13 1HB GLU 13 7.905 -0.692 -16.660 103 2HB GLU 13 2HB GLU 13 7.866 -1.975 -17.872 104 1HG GLU 13 1HG GLU 13 7.244 -0.327 -19.601 105 2HG GLU 13 2HG GLU 13 7.286 0.957 -18.391 106 H ALA 14 H ALA 14 6.056 -1.360 -14.817 107 HA ALA 14 HA ALA 14 4.590 -3.855 -14.566 108 1HB ALA 14 1HB ALA 14 6.817 -4.646 -15.413 109 2HB ALA 14 2HB ALA 14 6.403 -5.275 -13.818 110 3HB ALA 14 3HB ALA 14 7.559 -3.951 -13.971 111 H VAL 15 H VAL 15 6.330 -4.502 -12.154 112 HA VAL 15 HA VAL 15 4.812 -2.987 -10.225 113 HB VAL 15 HB VAL 15 6.196 -4.154 -8.555 114 1HG1 VAL 15 1HG1 VAL 15 5.366 -5.880 -10.910 115 2HG1 VAL 15 2HG1 VAL 15 5.693 -6.485 -9.288 116 3HG1 VAL 15 3HG1 VAL 15 4.339 -5.390 -9.564 117 1HG2 VAL 15 1HG2 VAL 15 7.837 -4.838 -11.004 118 2HG2 VAL 15 2HG2 VAL 15 8.381 -4.086 -9.504 119 3HG2 VAL 15 3HG2 VAL 15 7.931 -5.792 -9.523 120 H ASP 16 H ASP 16 5.597 -1.394 -8.751 121 HA ASP 16 HA ASP 16 8.253 -0.167 -9.372 122 1HB ASP 16 1HB ASP 16 7.210 2.073 -9.364 123 2HB ASP 16 2HB ASP 16 6.535 1.072 -10.652 124 H ALA 17 H ALA 17 8.998 1.257 -7.600 125 HA ALA 17 HA ALA 17 8.487 0.113 -5.010 126 1HB ALA 17 1HB ALA 17 9.931 2.625 -5.882 127 2HB ALA 17 2HB ALA 17 10.641 1.094 -5.373 128 3HB ALA 17 3HB ALA 17 9.829 2.123 -4.195 129 H ASN 18 H ASN 18 7.363 3.059 -6.623 130 HA ASN 18 HA ASN 18 6.046 4.209 -4.360 131 1HB ASN 18 1HB ASN 18 5.374 4.457 -7.308 132 2HB ASN 18 2HB ASN 18 4.783 5.521 -6.031 133 2HD2 ASN 18 2HD2 ASN 18 6.899 6.178 -4.517 134 1HD2 ASN 18 1HD2 ASN 18 8.174 6.828 -5.429 135 H SER 19 H SER 19 5.462 1.286 -5.766 136 HA SER 19 HA SER 19 2.635 1.189 -6.061 137 1HB SER 19 1HB SER 19 4.627 -0.924 -5.193 138 2HB SER 19 2HB SER 19 2.931 -1.272 -5.521 139 HG SER 19 HG SER 19 4.355 0.184 -7.424 140 H LEU 20 H LEU 20 4.692 0.772 -3.175 141 HA LEU 20 HA LEU 20 2.623 -0.014 -1.383 142 1HB LEU 20 1HB LEU 20 4.934 -0.222 -0.713 143 2HB LEU 20 2HB LEU 20 5.200 1.509 -0.903 144 HG LEU 20 HG LEU 20 3.682 1.989 0.955 145 1HD1 LEU 20 1HD1 LEU 20 3.128 -0.970 0.742 146 2HD1 LEU 20 2HD1 LEU 20 2.929 -0.153 2.292 147 3HD1 LEU 20 3HD1 LEU 20 1.987 0.363 0.894 148 1HD2 LEU 20 1HD2 LEU 20 6.064 1.438 1.442 149 2HD2 LEU 20 2HD2 LEU 20 4.988 1.002 2.770 150 3HD2 LEU 20 3HD2 LEU 20 5.600 -0.247 1.684 151 H ALA 21 H ALA 21 3.914 3.263 -2.067 152 HA ALA 21 HA ALA 21 1.942 4.539 -0.395 153 1HB ALA 21 1HB ALA 21 3.798 5.584 -2.542 154 2HB ALA 21 2HB ALA 21 3.974 5.744 -0.794 155 3HB ALA 21 3HB ALA 21 2.703 6.630 -1.638 156 H GLU 22 H GLU 22 2.261 4.046 -3.894 157 HA GLU 22 HA GLU 22 -0.141 5.417 -4.633 158 1HB GLU 22 1HB GLU 22 1.682 4.728 -6.220 159 2HB GLU 22 2HB GLU 22 1.149 3.056 -6.033 160 1HG GLU 22 1HG GLU 22 -1.084 3.658 -6.868 161 2HG GLU 22 2HG GLU 22 -0.572 5.339 -7.043 162 H ALA 23 H ALA 23 0.513 2.038 -3.749 163 HA ALA 23 HA ALA 23 -2.046 0.994 -4.371 164 1HB ALA 23 1HB ALA 23 -1.519 -0.690 -2.536 165 2HB ALA 23 2HB ALA 23 -0.295 -0.542 -3.797 166 3HB ALA 23 3HB ALA 23 -0.046 0.228 -2.230 167 H LYS 24 H LYS 24 -0.871 2.617 -1.408 168 HA LYS 24 HA LYS 24 -3.386 2.292 -0.016 169 1HB LYS 24 1HB LYS 24 -1.099 4.238 0.379 170 2HB LYS 24 2HB LYS 24 -2.507 4.160 1.442 171 1HG LYS 24 1HG LYS 24 -2.024 1.791 1.919 172 2HG LYS 24 2HG LYS 24 -0.615 1.865 0.859 173 1HD LYS 24 1HD LYS 24 0.377 3.612 2.290 174 2HD LYS 24 2HD LYS 24 -1.029 3.539 3.354 175 1HE LYS 24 1HE LYS 24 -0.551 1.206 3.887 176 2HE LYS 24 2HE LYS 24 0.799 1.197 2.753 177 1HZ LYS 24 1HZ LYS 24 0.927 3.336 4.664 178 2HZ LYS 24 2HZ LYS 24 0.964 1.798 5.386 179 3HZ LYS 24 3HZ LYS 24 2.117 2.217 4.211 180 H VAL 25 H VAL 25 -1.995 4.859 -2.056 181 HA VAL 25 HA VAL 25 -4.106 6.740 -1.656 182 HB VAL 25 HB VAL 25 -2.171 6.362 -3.953 183 1HG1 VAL 25 1HG1 VAL 25 -4.317 8.437 -3.480 184 2HG1 VAL 25 2HG1 VAL 25 -2.872 8.819 -4.419 185 3HG1 VAL 25 3HG1 VAL 25 -3.962 7.541 -4.957 186 1HG2 VAL 25 1HG2 VAL 25 -1.227 7.002 -1.747 187 2HG2 VAL 25 2HG2 VAL 25 -1.065 8.304 -2.925 188 3HG2 VAL 25 3HG2 VAL 25 -2.324 8.382 -1.690 189 H LEU 26 H LEU 26 -3.609 4.342 -4.277 190 HA LEU 26 HA LEU 26 -6.117 4.914 -5.566 191 1HB LEU 26 1HB LEU 26 -4.387 2.421 -5.608 192 2HB LEU 26 2HB LEU 26 -5.786 2.668 -6.652 193 HG LEU 26 HG LEU 26 -3.354 4.483 -6.549 194 1HD1 LEU 26 1HD1 LEU 26 -2.951 2.184 -7.485 195 2HD1 LEU 26 2HD1 LEU 26 -4.190 2.512 -8.694 196 3HD1 LEU 26 3HD1 LEU 26 -2.715 3.478 -8.659 197 1HD2 LEU 26 1HD2 LEU 26 -5.961 4.539 -8.060 198 2HD2 LEU 26 2HD2 LEU 26 -5.046 5.876 -7.362 199 3HD2 LEU 26 3HD2 LEU 26 -4.509 5.135 -8.864 200 H ALA 27 H ALA 27 -5.164 2.573 -3.081 201 HA ALA 27 HA ALA 27 -7.602 1.120 -2.973 202 1HB ALA 27 1HB ALA 27 -5.390 1.667 -1.023 203 2HB ALA 27 2HB ALA 27 -5.895 0.131 -1.722 204 3HB ALA 27 3HB ALA 27 -6.850 0.882 -0.442 205 H ASN 28 H ASN 28 -6.590 3.996 -1.092 206 HA ASN 28 HA ASN 28 -8.962 4.223 0.450 207 1HB ASN 28 1HB ASN 28 -6.776 5.498 0.748 208 2HB ASN 28 2HB ASN 28 -7.318 6.556 -0.556 209 2HD2 ASN 28 2HD2 ASN 28 -6.972 7.050 2.456 210 1HD2 ASN 28 1HD2 ASN 28 -8.466 7.697 2.942 211 H ARG 29 H ARG 29 -8.180 5.542 -2.766 212 HA ARG 29 HA ARG 29 -10.658 7.004 -3.029 213 1HB ARG 29 1HB ARG 29 -8.678 5.963 -5.074 214 2HB ARG 29 2HB ARG 29 -10.079 6.949 -5.495 215 1HG ARG 29 1HG ARG 29 -9.277 8.728 -3.995 216 2HG ARG 29 2HG ARG 29 -7.870 7.753 -3.582 217 1HD ARG 29 1HD ARG 29 -7.271 7.700 -6.014 218 2HD ARG 29 2HD ARG 29 -8.583 8.828 -6.332 219 HE ARG 29 HE ARG 29 -5.946 9.473 -5.369 220 1HH1 ARG 29 1HH1 ARG 29 -5.469 11.383 -4.304 221 2HH1 ARG 29 2HH1 ARG 29 -6.756 12.375 -3.707 222 1HH2 ARG 29 1HH2 ARG 29 -9.264 10.277 -4.842 223 2HH2 ARG 29 2HH2 ARG 29 -8.898 11.748 -4.007 224 H GLU 30 H GLU 30 -9.622 3.733 -3.777 225 HA GLU 30 HA GLU 30 -11.818 2.929 -5.375 226 1HB GLU 30 1HB GLU 30 -9.683 1.649 -4.997 227 2HB GLU 30 2HB GLU 30 -10.311 1.188 -3.415 228 1HG GLU 30 1HG GLU 30 -12.176 0.033 -4.405 229 2HG GLU 30 2HG GLU 30 -11.793 0.672 -6.005 230 H LEU 31 H LEU 31 -11.476 2.991 -1.824 231 HA LEU 31 HA LEU 31 -13.878 1.574 -1.214 232 1HB LEU 31 1HB LEU 31 -12.915 3.956 0.392 233 2HB LEU 31 2HB LEU 31 -13.723 2.499 0.971 234 HG LEU 31 HG LEU 31 -10.925 2.729 -0.120 235 1HD1 LEU 31 1HD1 LEU 31 -12.087 2.056 2.593 236 2HD1 LEU 31 2HD1 LEU 31 -10.395 1.786 2.176 237 3HD1 LEU 31 3HD1 LEU 31 -11.052 3.422 2.178 238 1HD2 LEU 31 1HD2 LEU 31 -12.616 0.312 0.558 239 2HD2 LEU 31 2HD2 LEU 31 -11.744 0.637 -0.939 240 3HD2 LEU 31 3HD2 LEU 31 -10.855 0.240 0.531 241 H ASP 32 H ASP 32 -13.259 4.974 -1.916 242 HA ASP 32 HA ASP 32 -15.756 6.094 -1.346 243 1HB ASP 32 1HB ASP 32 -13.683 7.288 -2.131 244 2HB ASP 32 2HB ASP 32 -14.054 6.738 -3.764 245 H LYS 33 H LYS 33 -14.808 4.041 -4.049 246 HA LYS 33 HA LYS 33 -17.072 4.526 -5.731 247 1HB LYS 33 1HB LYS 33 -15.428 1.998 -5.359 248 2HB LYS 33 2HB LYS 33 -16.558 2.272 -6.678 249 1HG LYS 33 1HG LYS 33 -14.367 4.277 -6.177 250 2HG LYS 33 2HG LYS 33 -13.984 2.779 -7.019 251 1HD LYS 33 1HD LYS 33 -16.373 4.369 -7.932 252 2HD LYS 33 2HD LYS 33 -14.763 4.927 -8.378 253 1HE LYS 33 1HE LYS 33 -14.266 2.740 -9.386 254 2HE LYS 33 2HE LYS 33 -15.858 2.147 -8.910 255 1HZ LYS 33 1HZ LYS 33 -16.225 4.554 -10.261 256 2HZ LYS 33 2HZ LYS 33 -15.149 3.625 -11.193 257 3HZ LYS 33 3HZ LYS 33 -16.669 2.998 -10.768 258 H TYR 34 H TYR 34 -16.520 2.275 -3.046 259 HA TYR 34 HA TYR 34 -19.334 1.317 -3.237 260 1HB TYR 34 1HB TYR 34 -17.103 0.388 -1.408 261 2HB TYR 34 2HB TYR 34 -18.634 -0.434 -1.714 262 HD1 TYR 34 HD1 TYR 34 -15.511 0.766 -3.367 263 HD2 TYR 34 HD2 TYR 34 -18.879 -1.892 -3.574 264 HE1 TYR 34 HE1 TYR 34 -14.519 -0.331 -5.357 265 HE2 TYR 34 HE2 TYR 34 -17.882 -2.998 -5.558 266 HH TYR 34 HH TYR 34 -16.281 -2.827 -7.146 267 H GLY 35 H GLY 35 -17.247 3.335 -1.283 268 1HA GLY 35 1HA GLY 35 -19.509 4.466 0.106 269 2HA GLY 35 2HA GLY 35 -17.816 4.812 0.455 270 H VAL 36 H VAL 36 -17.082 2.028 0.990 271 HA VAL 36 HA VAL 36 -18.749 0.777 2.902 272 HB VAL 36 HB VAL 36 -16.837 -0.494 3.543 273 1HG1 VAL 36 1HG1 VAL 36 -17.609 -0.581 1.093 274 2HG1 VAL 36 2HG1 VAL 36 -16.168 0.368 0.728 275 3HG1 VAL 36 3HG1 VAL 36 -16.010 -1.235 1.445 276 1HG2 VAL 36 1HG2 VAL 36 -15.285 1.925 2.610 277 2HG2 VAL 36 2HG2 VAL 36 -15.234 1.132 4.183 278 3HG2 VAL 36 3HG2 VAL 36 -14.508 0.350 2.780 279 H SER 37 H SER 37 -17.362 0.563 5.288 280 HA SER 37 HA SER 37 -18.158 2.992 6.631 281 1HB SER 37 1HB SER 37 -18.219 0.796 7.754 282 2HB SER 37 2HB SER 37 -16.466 0.678 7.628 283 HG SER 37 HG SER 37 -16.587 1.629 9.518 284 H ASP 38 H ASP 38 -16.805 4.553 7.643 285 HA ASP 38 HA ASP 38 -14.371 5.177 6.191 286 1HB ASP 38 1HB ASP 38 -15.652 6.374 8.667 287 2HB ASP 38 2HB ASP 38 -14.185 7.017 7.927 288 H TYR 39 H TYR 39 -15.046 3.109 8.785 289 HA TYR 39 HA TYR 39 -12.643 3.445 10.337 290 1HB TYR 39 1HB TYR 39 -14.491 2.265 11.326 291 2HB TYR 39 2HB TYR 39 -14.556 1.121 9.986 292 HD1 TYR 39 HD1 TYR 39 -12.843 -0.600 9.705 293 HD2 TYR 39 HD2 TYR 39 -12.796 2.058 13.077 294 HE1 TYR 39 HE1 TYR 39 -11.227 -2.083 10.844 295 HE2 TYR 39 HE2 TYR 39 -11.175 0.568 14.225 296 HH TYR 39 HH TYR 39 -9.797 -2.255 12.583 297 H TYR 40 H TYR 40 -13.461 1.360 7.576 298 HA TYR 40 HA TYR 40 -11.020 -0.147 7.624 299 1HB TYR 40 1HB TYR 40 -13.016 0.361 5.411 300 2HB TYR 40 2HB TYR 40 -11.682 -0.785 5.290 301 HD1 TYR 40 HD1 TYR 40 -11.469 -2.431 7.409 302 HD2 TYR 40 HD2 TYR 40 -15.079 -0.475 6.133 303 HE1 TYR 40 HE1 TYR 40 -12.817 -4.141 8.594 304 HE2 TYR 40 HE2 TYR 40 -16.423 -2.187 7.319 305 HH TYR 40 HH TYR 40 -16.125 -4.551 8.081 306 H LYS 41 H LYS 41 -11.853 2.883 5.907 307 HA LYS 41 HA LYS 41 -9.631 2.842 4.132 308 1HB LYS 41 1HB LYS 41 -10.093 5.121 3.706 309 2HB LYS 41 2HB LYS 41 -11.655 4.472 4.202 310 1HG LYS 41 1HG LYS 41 -10.992 5.217 6.582 311 2HG LYS 41 2HG LYS 41 -9.731 6.161 5.811 312 1HD LYS 41 1HD LYS 41 -12.607 6.409 4.908 313 2HD LYS 41 2HD LYS 41 -12.013 7.316 6.294 314 1HE LYS 41 1HE LYS 41 -10.772 7.381 3.529 315 2HE LYS 41 2HE LYS 41 -11.837 8.622 4.192 316 1HZ LYS 41 1HZ LYS 41 -9.709 7.974 5.975 317 2HZ LYS 41 2HZ LYS 41 -9.121 8.499 4.470 318 3HZ LYS 41 3HZ LYS 41 -10.178 9.485 5.363 319 H ASN 42 H ASN 42 -9.969 3.967 7.458 320 HA ASN 42 HA ASN 42 -7.371 5.084 7.734 321 1HB ASN 42 1HB ASN 42 -9.161 5.444 9.397 322 2HB ASN 42 2HB ASN 42 -9.094 3.736 9.833 323 2HD2 ASN 42 2HD2 ASN 42 -8.491 4.545 12.064 324 1HD2 ASN 42 1HD2 ASN 42 -6.877 4.976 12.368 325 H LEU 43 H LEU 43 -8.606 1.801 8.153 326 HA LEU 43 HA LEU 43 -6.251 0.625 9.211 327 1HB LEU 43 1HB LEU 43 -8.433 -0.529 9.162 328 2HB LEU 43 2HB LEU 43 -8.355 -0.614 7.404 329 HG LEU 43 HG LEU 43 -6.343 -2.013 7.540 330 1HD1 LEU 43 1HD1 LEU 43 -6.607 -1.396 10.477 331 2HD1 LEU 43 2HD1 LEU 43 -5.892 -2.932 9.983 332 3HD1 LEU 43 3HD1 LEU 43 -5.161 -1.415 9.467 333 1HD2 LEU 43 1HD2 LEU 43 -8.714 -2.969 7.714 334 2HD2 LEU 43 2HD2 LEU 43 -7.419 -4.016 8.296 335 3HD2 LEU 43 3HD2 LEU 43 -8.417 -3.126 9.444 336 H ILE 44 H ILE 44 -7.232 1.281 5.863 337 HA ILE 44 HA ILE 44 -5.109 -0.115 4.555 338 HB ILE 44 HB ILE 44 -6.456 2.490 3.744 339 1HG1 ILE 44 1HG1 ILE 44 -8.141 0.774 4.055 340 2HG1 ILE 44 2HG1 ILE 44 -7.884 0.984 2.326 341 1HG2 ILE 44 1HG2 ILE 44 -4.919 0.435 2.129 342 2HG2 ILE 44 2HG2 ILE 44 -5.812 1.792 1.444 343 3HG2 ILE 44 3HG2 ILE 44 -4.411 2.088 2.471 344 1HD1 ILE 44 1HD1 ILE 44 -6.142 -0.970 2.635 345 2HD1 ILE 44 2HD1 ILE 44 -7.068 -1.295 4.100 346 3HD1 ILE 44 3HD1 ILE 44 -7.863 -1.338 2.531 347 H ASN 45 H ASN 45 -5.330 3.216 5.783 348 HA ASN 45 HA ASN 45 -2.653 3.953 5.010 349 1HB ASN 45 1HB ASN 45 -4.598 5.101 7.036 350 2HB ASN 45 2HB ASN 45 -3.033 5.836 6.672 351 2HD2 ASN 45 2HD2 ASN 45 -5.555 7.154 6.122 352 1HD2 ASN 45 1HD2 ASN 45 -5.696 7.317 4.438 353 H ASN 46 H ASN 46 -3.945 2.116 7.647 354 HA ASN 46 HA ASN 46 -1.457 2.455 9.259 355 1HB ASN 46 1HB ASN 46 -4.030 0.971 9.873 356 2HB ASN 46 2HB ASN 46 -2.686 1.204 10.990 357 2HD2 ASN 46 2HD2 ASN 46 -5.673 2.365 10.551 358 1HD2 ASN 46 1HD2 ASN 46 -5.452 3.998 10.958 359 H ALA 47 H ALA 47 -2.299 0.599 6.699 360 HA ALA 47 HA ALA 47 -1.789 -2.076 7.530 361 1HB ALA 47 1HB ALA 47 -2.636 -1.263 5.254 362 2HB ALA 47 2HB ALA 47 -1.465 -2.581 5.223 363 3HB ALA 47 3HB ALA 47 -0.949 -0.935 4.858 364 H LYS 48 H LYS 48 0.072 -3.071 8.164 365 HA LYS 48 HA LYS 48 2.622 -1.523 8.001 366 1HB LYS 48 1HB LYS 48 1.764 -3.897 9.672 367 2HB LYS 48 2HB LYS 48 3.409 -3.262 9.660 368 1HG LYS 48 1HG LYS 48 2.529 -1.036 10.336 369 2HG LYS 48 2HG LYS 48 0.910 -1.724 10.428 370 1HD LYS 48 1HD LYS 48 3.268 -2.785 12.011 371 2HD LYS 48 2HD LYS 48 2.135 -1.593 12.643 372 1HE LYS 48 1HE LYS 48 0.291 -3.305 12.006 373 2HE LYS 48 2HE LYS 48 1.611 -4.470 11.901 374 1HZ LYS 48 1HZ LYS 48 2.166 -3.316 14.222 375 2HZ LYS 48 2HZ LYS 48 0.474 -3.162 14.227 376 3HZ LYS 48 3HZ LYS 48 1.184 -4.696 14.079 377 H THR 49 H THR 49 1.033 -3.818 6.222 378 HA THR 49 HA THR 49 3.613 -4.981 5.216 379 HB THR 49 HB THR 49 2.375 -7.089 4.753 380 HG1 THR 49 HG1 THR 49 0.320 -5.516 5.703 381 1HG2 THR 49 1HG2 THR 49 3.660 -6.651 6.907 382 2HG2 THR 49 2HG2 THR 49 2.100 -6.330 7.667 383 3HG2 THR 49 3HG2 THR 49 2.441 -7.923 6.990 384 H VAL 50 H VAL 50 3.772 -5.065 2.977 385 HA VAL 50 HA VAL 50 2.056 -3.314 1.457 386 HB VAL 50 HB VAL 50 3.937 -5.415 0.387 387 1HG1 VAL 50 1HG1 VAL 50 2.888 -2.796 -0.705 388 2HG1 VAL 50 2HG1 VAL 50 4.171 -3.738 -1.465 389 3HG1 VAL 50 3HG1 VAL 50 2.549 -4.414 -1.318 390 1HG2 VAL 50 1HG2 VAL 50 4.472 -2.688 1.565 391 2HG2 VAL 50 2HG2 VAL 50 5.298 -4.209 1.895 392 3HG2 VAL 50 3HG2 VAL 50 5.557 -3.381 0.361 393 H GLU 51 H GLU 51 2.513 -6.860 1.388 394 HA GLU 51 HA GLU 51 0.480 -7.391 -0.530 395 1HB GLU 51 1HB GLU 51 2.155 -9.075 0.173 396 2HB GLU 51 2HB GLU 51 1.414 -9.140 1.771 397 1HG GLU 51 1HG GLU 51 -0.704 -9.911 0.764 398 2HG GLU 51 2HG GLU 51 0.030 -9.841 -0.837 399 H GLY 52 H GLY 52 0.392 -7.084 2.986 400 1HA GLY 52 1HA GLY 52 -1.417 -6.669 4.415 401 2HA GLY 52 2HA GLY 52 -2.265 -7.881 3.456 402 H VAL 53 H VAL 53 -1.015 -4.871 2.057 403 HA VAL 53 HA VAL 53 -3.420 -3.338 2.350 404 HB VAL 53 HB VAL 53 -1.259 -3.215 0.229 405 1HG1 VAL 53 1HG1 VAL 53 -3.668 -1.464 0.741 406 2HG1 VAL 53 2HG1 VAL 53 -2.233 -0.851 -0.083 407 3HG1 VAL 53 3HG1 VAL 53 -3.148 -2.187 -0.782 408 1HG2 VAL 53 1HG2 VAL 53 -1.837 -1.603 2.733 409 2HG2 VAL 53 2HG2 VAL 53 -0.462 -2.672 2.464 410 3HG2 VAL 53 3HG2 VAL 53 -0.608 -1.176 1.543 411 H LYS 54 H LYS 54 -2.310 -5.367 -0.395 412 HA LYS 54 HA LYS 54 -4.877 -5.046 -1.757 413 1HB LYS 54 1HB LYS 54 -3.938 -6.637 -3.404 414 2HB LYS 54 2HB LYS 54 -2.825 -5.314 -3.065 415 1HG LYS 54 1HG LYS 54 -1.606 -6.764 -1.464 416 2HG LYS 54 2HG LYS 54 -2.709 -8.085 -1.833 417 1HD LYS 54 1HD LYS 54 -0.875 -8.540 -3.226 418 2HD LYS 54 2HD LYS 54 -1.993 -7.712 -4.306 419 1HE LYS 54 1HE LYS 54 -0.776 -5.629 -4.072 420 2HE LYS 54 2HE LYS 54 0.240 -6.311 -2.802 421 1HZ LYS 54 1HZ LYS 54 0.230 -7.856 -5.223 422 2HZ LYS 54 2HZ LYS 54 0.829 -6.283 -5.441 423 3HZ LYS 54 3HZ LYS 54 1.540 -7.309 -4.288 424 H ALA 55 H ALA 55 -3.334 -7.556 0.217 425 HA ALA 55 HA ALA 55 -5.351 -9.561 -0.286 426 1HB ALA 55 1HB ALA 55 -3.597 -9.317 2.171 427 2HB ALA 55 2HB ALA 55 -4.345 -10.781 1.534 428 3HB ALA 55 3HB ALA 55 -3.039 -9.999 0.643 429 H LEU 56 H LEU 56 -5.286 -6.732 1.639 430 HA LEU 56 HA LEU 56 -7.290 -7.629 3.564 431 1HB LEU 56 1HB LEU 56 -5.699 -5.988 4.308 432 2HB LEU 56 2HB LEU 56 -6.042 -4.945 2.931 433 HG LEU 56 HG LEU 56 -8.277 -4.483 3.771 434 1HD1 LEU 56 1HD1 LEU 56 -7.559 -6.613 5.795 435 2HD1 LEU 56 2HD1 LEU 56 -8.830 -5.430 6.111 436 3HD1 LEU 56 3HD1 LEU 56 -8.975 -6.536 4.746 437 1HD2 LEU 56 1HD2 LEU 56 -6.161 -3.335 4.745 438 2HD2 LEU 56 2HD2 LEU 56 -7.674 -3.152 5.631 439 3HD2 LEU 56 3HD2 LEU 56 -6.464 -4.310 6.182 440 H ILE 57 H ILE 57 -7.215 -5.242 0.918 441 HA ILE 57 HA ILE 57 -10.044 -4.745 0.974 442 HB ILE 57 HB ILE 57 -8.035 -4.288 -1.236 443 1HG1 ILE 57 1HG1 ILE 57 -9.111 -2.375 0.858 444 2HG1 ILE 57 2HG1 ILE 57 -7.583 -3.232 1.037 445 1HG2 ILE 57 1HG2 ILE 57 -10.855 -3.309 -0.754 446 2HG2 ILE 57 2HG2 ILE 57 -9.738 -2.470 -1.830 447 3HG2 ILE 57 3HG2 ILE 57 -10.216 -4.130 -2.176 448 1HD1 ILE 57 1HD1 ILE 57 -7.233 -2.143 -1.443 449 2HD1 ILE 57 2HD1 ILE 57 -8.271 -0.930 -0.694 450 3HD1 ILE 57 3HD1 ILE 57 -6.737 -1.361 0.054 451 H ASP 58 H ASP 58 -8.023 -6.900 -1.042 452 HA ASP 58 HA ASP 58 -10.031 -7.641 -2.894 453 1HB ASP 58 1HB ASP 58 -8.774 -9.714 -3.236 454 2HB ASP 58 2HB ASP 58 -7.650 -8.366 -3.061 455 H GLU 59 H GLU 59 -9.477 -8.687 0.424 456 HA GLU 59 HA GLU 59 -11.454 -10.798 0.398 457 1HB GLU 59 1HB GLU 59 -10.206 -9.167 2.635 458 2HB GLU 59 2HB GLU 59 -11.326 -10.501 2.915 459 1HG GLU 59 1HG GLU 59 -8.756 -10.765 1.330 460 2HG GLU 59 2HG GLU 59 -8.897 -11.164 3.042 461 H ILE 60 H ILE 60 -11.422 -7.357 1.219 462 HA ILE 60 HA ILE 60 -14.153 -7.250 2.123 463 HB ILE 60 HB ILE 60 -12.362 -5.060 1.037 464 1HG1 ILE 60 1HG1 ILE 60 -12.983 -5.807 3.912 465 2HG1 ILE 60 2HG1 ILE 60 -11.549 -6.368 3.063 466 1HG2 ILE 60 1HG2 ILE 60 -14.965 -4.999 2.586 467 2HG2 ILE 60 2HG2 ILE 60 -13.903 -3.600 2.420 468 3HG2 ILE 60 3HG2 ILE 60 -14.653 -4.313 0.992 469 1HD1 ILE 60 1HD1 ILE 60 -11.360 -3.684 2.586 470 2HD1 ILE 60 2HD1 ILE 60 -12.173 -3.679 4.150 471 3HD1 ILE 60 3HD1 ILE 60 -10.617 -4.484 3.967 472 H LEU 61 H LEU 61 -12.570 -6.654 -1.000 473 HA LEU 61 HA LEU 61 -14.982 -5.802 -2.340 474 1HB LEU 61 1HB LEU 61 -12.302 -6.792 -3.321 475 2HB LEU 61 2HB LEU 61 -13.608 -6.400 -4.439 476 HG LEU 61 HG LEU 61 -12.512 -4.489 -2.354 477 1HD1 LEU 61 1HD1 LEU 61 -10.877 -5.148 -4.174 478 2HD1 LEU 61 2HD1 LEU 61 -12.014 -4.478 -5.344 479 3HD1 LEU 61 3HD1 LEU 61 -11.275 -3.430 -4.134 480 1HD2 LEU 61 1HD2 LEU 61 -14.675 -4.334 -4.433 481 2HD2 LEU 61 2HD2 LEU 61 -14.593 -3.587 -2.839 482 3HD2 LEU 61 3HD2 LEU 61 -13.690 -2.895 -4.181 483 H ALA 62 H ALA 62 -13.567 -8.911 -1.622 484 HA ALA 62 HA ALA 62 -14.919 -10.492 -3.561 485 1HB ALA 62 1HB ALA 62 -14.354 -11.333 -0.707 486 2HB ALA 62 2HB ALA 62 -14.460 -12.368 -2.131 487 3HB ALA 62 3HB ALA 62 -13.103 -11.256 -1.947 488 H ALA 63 H ALA 63 -15.949 -9.317 -0.370 489 HA ALA 63 HA ALA 63 -18.445 -10.729 -0.305 490 1HB ALA 63 1HB ALA 63 -17.548 -9.725 1.720 491 2HB ALA 63 2HB ALA 63 -19.102 -8.973 1.362 492 3HB ALA 63 3HB ALA 63 -17.603 -8.120 0.991 493 H LEU 64 H LEU 64 -17.374 -7.914 -2.027 494 HA LEU 64 HA LEU 64 -20.157 -7.504 -3.082 495 1HB LEU 64 1HB LEU 64 -18.081 -5.358 -2.554 496 2HB LEU 64 2HB LEU 64 -19.693 -5.101 -3.215 497 HG LEU 64 HG LEU 64 -19.283 -6.427 -0.528 498 1HD1 LEU 64 1HD1 LEU 64 -19.421 -3.480 -1.194 499 2HD1 LEU 64 2HD1 LEU 64 -19.811 -4.112 0.406 500 3HD1 LEU 64 3HD1 LEU 64 -18.189 -4.322 -0.255 501 1HD2 LEU 64 1HD2 LEU 64 -21.584 -4.999 -1.898 502 2HD2 LEU 64 2HD2 LEU 64 -21.515 -6.686 -1.390 503 3HD2 LEU 64 3HD2 LEU 64 -21.590 -5.406 -0.184 504 HA PRO 65 HA PRO 65 -17.052 -8.483 -6.458 505 1HB PRO 65 1HB PRO 65 -19.415 -9.652 -7.776 506 2HB PRO 65 2HB PRO 65 -17.873 -10.416 -7.372 507 1HG PRO 65 1HG PRO 65 -20.286 -10.932 -6.083 508 2HG PRO 65 2HG PRO 65 -18.687 -11.277 -5.411 509 1HD PRO 65 1HD PRO 65 -20.606 -9.157 -4.643 510 2HD PRO 65 2HD PRO 65 -19.215 -9.797 -3.732 No H/Q in entry = 510 Start of MODEL 13 1 H1 MET 1 H1 MET 1 15.454 0.644 -35.459 2 H2 MET 1 H2 MET 1 14.873 0.785 -33.869 3 H3 MET 1 H3 MET 1 14.474 1.961 -35.024 4 HA MET 1 HA MET 1 16.619 2.847 -35.071 5 1HB MET 1 1HB MET 1 15.851 2.024 -32.257 6 2HB MET 1 2HB MET 1 17.138 3.177 -32.612 7 1HG MET 1 1HG MET 1 15.531 4.609 -33.816 8 2HG MET 1 2HG MET 1 14.241 3.460 -33.463 9 1HE MET 1 1HE MET 1 13.693 2.605 -31.357 10 2HE MET 1 2HE MET 1 14.987 2.681 -30.165 11 3HE MET 1 3HE MET 1 13.487 3.581 -29.905 12 H LYS 2 H LYS 2 18.745 2.521 -33.333 13 HA LYS 2 HA LYS 2 20.129 0.277 -34.517 14 1HB LYS 2 1HB LYS 2 20.807 2.269 -32.351 15 2HB LYS 2 2HB LYS 2 21.878 0.910 -32.682 16 1HG LYS 2 1HG LYS 2 22.675 2.758 -33.990 17 2HG LYS 2 2HG LYS 2 21.897 1.645 -35.111 18 1HD LYS 2 1HD LYS 2 19.914 3.008 -35.206 19 2HD LYS 2 2HD LYS 2 20.480 4.022 -33.878 20 1HE LYS 2 1HE LYS 2 20.843 5.144 -36.042 21 2HE LYS 2 2HE LYS 2 22.384 4.770 -35.269 22 1HZ LYS 2 1HZ LYS 2 21.106 2.976 -37.249 23 2HZ LYS 2 2HZ LYS 2 22.203 4.192 -37.691 24 3HZ LYS 2 3HZ LYS 2 22.703 2.926 -36.673 25 H ALA 3 H ALA 3 20.836 -1.652 -33.467 26 HA ALA 3 HA ALA 3 18.949 -2.774 -31.593 27 1HB ALA 3 1HB ALA 3 20.223 -4.133 -33.252 28 2HB ALA 3 2HB ALA 3 20.416 -4.734 -31.606 29 3HB ALA 3 3HB ALA 3 21.703 -3.793 -32.357 30 H ILE 4 H ILE 4 19.288 -3.285 -29.383 31 HA ILE 4 HA ILE 4 21.641 -1.980 -28.064 32 HB ILE 4 HB ILE 4 20.247 -1.101 -26.325 33 1HG1 ILE 4 1HG1 ILE 4 18.598 -2.905 -26.115 34 2HG1 ILE 4 2HG1 ILE 4 17.774 -1.372 -26.350 35 1HG2 ILE 4 1HG2 ILE 4 19.024 -0.567 -29.042 36 2HG2 ILE 4 2HG2 ILE 4 18.790 0.441 -27.613 37 3HG2 ILE 4 3HG2 ILE 4 20.396 0.279 -28.324 38 1HD1 ILE 4 1HD1 ILE 4 17.855 -2.063 -28.909 39 2HD1 ILE 4 2HD1 ILE 4 18.035 -3.685 -28.239 40 3HD1 ILE 4 3HD1 ILE 4 16.619 -2.720 -27.843 41 H PHE 5 H PHE 5 22.198 -2.909 -25.983 42 HA PHE 5 HA PHE 5 20.941 -5.483 -25.255 43 1HB PHE 5 1HB PHE 5 22.647 -6.035 -27.007 44 2HB PHE 5 2HB PHE 5 23.884 -5.315 -25.977 45 HD1 PHE 5 HD1 PHE 5 24.570 -6.385 -23.883 46 HD2 PHE 5 HD2 PHE 5 21.560 -8.133 -26.399 47 HE1 PHE 5 HE1 PHE 5 24.765 -8.519 -22.635 48 HE2 PHE 5 HE2 PHE 5 21.754 -10.266 -25.152 49 HZ PHE 5 HZ PHE 5 23.357 -10.461 -23.270 50 H VAL 6 H VAL 6 23.478 -3.072 -24.679 51 HA VAL 6 HA VAL 6 22.837 -3.014 -21.842 52 HB VAL 6 HB VAL 6 24.274 -4.976 -21.816 53 1HG1 VAL 6 1HG1 VAL 6 25.487 -4.109 -24.027 54 2HG1 VAL 6 2HG1 VAL 6 26.633 -3.435 -22.871 55 3HG1 VAL 6 3HG1 VAL 6 26.324 -5.168 -22.896 56 1HG2 VAL 6 1HG2 VAL 6 24.483 -3.210 -20.023 57 2HG2 VAL 6 2HG2 VAL 6 25.913 -4.224 -20.212 58 3HG2 VAL 6 3HG2 VAL 6 25.895 -2.593 -20.880 59 H LEU 7 H LEU 7 22.468 -0.792 -22.440 60 HA LEU 7 HA LEU 7 24.527 0.837 -23.638 61 1HB LEU 7 1HB LEU 7 21.979 1.286 -23.483 62 2HB LEU 7 2HB LEU 7 22.315 1.890 -21.864 63 HG LEU 7 HG LEU 7 23.711 2.893 -24.367 64 1HD1 LEU 7 1HD1 LEU 7 21.258 3.363 -24.376 65 2HD1 LEU 7 2HD1 LEU 7 21.440 4.178 -22.824 66 3HD1 LEU 7 3HD1 LEU 7 22.235 4.827 -24.258 67 1HD2 LEU 7 1HD2 LEU 7 23.752 3.658 -21.447 68 2HD2 LEU 7 2HD2 LEU 7 25.101 3.465 -22.566 69 3HD2 LEU 7 3HD2 LEU 7 24.065 4.883 -22.676 70 H ASN 8 H ASN 8 23.278 0.807 -20.266 71 HA ASN 8 HA ASN 8 25.998 0.972 -19.206 72 1HB ASN 8 1HB ASN 8 24.152 3.365 -19.146 73 2HB ASN 8 2HB ASN 8 25.443 3.154 -17.963 74 2HD2 ASN 8 2HD2 ASN 8 27.442 2.009 -19.659 75 1HD2 ASN 8 1HD2 ASN 8 27.911 3.177 -20.798 76 H ALA 9 H ALA 9 22.532 0.891 -18.779 77 HA ALA 9 HA ALA 9 22.867 -0.668 -16.312 78 1HB ALA 9 1HB ALA 9 21.209 0.889 -15.107 79 2HB ALA 9 2HB ALA 9 22.868 1.467 -15.261 80 3HB ALA 9 3HB ALA 9 21.616 2.084 -16.338 81 H GLN 10 H GLN 10 20.625 -1.368 -15.509 82 HA GLN 10 HA GLN 10 19.086 -2.290 -17.813 83 1HB GLN 10 1HB GLN 10 18.715 -2.624 -14.824 84 2HB GLN 10 2HB GLN 10 17.633 -3.336 -16.021 85 1HG GLN 10 1HG GLN 10 19.535 -4.542 -17.029 86 2HG GLN 10 2HG GLN 10 20.618 -3.834 -15.831 87 2HE2 GLN 10 2HE2 GLN 10 18.027 -4.148 -13.962 88 1HE2 GLN 10 1HE2 GLN 10 18.187 -5.750 -13.424 89 H HIS 11 H HIS 11 16.727 -1.917 -17.988 90 HA HIS 11 HA HIS 11 16.060 0.861 -17.867 91 1HB HIS 11 1HB HIS 11 15.018 -0.809 -19.425 92 2HB HIS 11 2HB HIS 11 14.143 -1.483 -18.050 93 HD1 HIS 11 HD1 HIS 11 12.221 -0.070 -17.036 94 HD2 HIS 11 HD2 HIS 11 14.097 1.756 -20.281 95 HE1 HIS 11 HE1 HIS 11 10.763 1.893 -17.696 96 H ASP 12 H ASP 12 14.366 1.855 -16.551 97 HA ASP 12 HA ASP 12 14.639 1.237 -13.747 98 1HB ASP 12 1HB ASP 12 12.770 3.079 -15.266 99 2HB ASP 12 2HB ASP 12 12.816 2.981 -13.504 100 H GLU 13 H GLU 13 13.689 -1.078 -15.070 101 HA GLU 13 HA GLU 13 10.861 -1.401 -15.011 102 1HB GLU 13 1HB GLU 13 12.453 -3.048 -16.012 103 2HB GLU 13 2HB GLU 13 12.967 -3.496 -14.386 104 1HG GLU 13 1HG GLU 13 10.653 -4.166 -13.835 105 2HG GLU 13 2HG GLU 13 10.139 -3.721 -15.462 106 H ALA 14 H ALA 14 13.320 -1.787 -12.478 107 HA ALA 14 HA ALA 14 11.597 -2.824 -10.461 108 1HB ALA 14 1HB ALA 14 14.113 -1.145 -10.298 109 2HB ALA 14 2HB ALA 14 13.969 -2.889 -10.090 110 3HB ALA 14 3HB ALA 14 13.305 -1.798 -8.874 111 H VAL 15 H VAL 15 10.679 -1.643 -8.611 112 HA VAL 15 HA VAL 15 9.746 1.120 -9.356 113 HB VAL 15 HB VAL 15 7.794 0.596 -7.882 114 1HG1 VAL 15 1HG1 VAL 15 8.394 -1.152 -10.269 115 2HG1 VAL 15 2HG1 VAL 15 6.834 -1.212 -9.446 116 3HG1 VAL 15 3HG1 VAL 15 7.380 0.289 -10.193 117 1HG2 VAL 15 1HG2 VAL 15 9.121 -2.132 -7.821 118 2HG2 VAL 15 2HG2 VAL 15 8.816 -1.075 -6.445 119 3HG2 VAL 15 3HG2 VAL 15 7.467 -1.827 -7.293 120 H ASP 16 H ASP 16 9.732 2.705 -7.703 121 HA ASP 16 HA ASP 16 11.750 2.362 -5.637 122 1HB ASP 16 1HB ASP 16 9.807 4.598 -6.264 123 2HB ASP 16 2HB ASP 16 10.992 4.684 -4.959 124 H ALA 17 H ALA 17 11.327 2.679 -3.320 125 HA ALA 17 HA ALA 17 9.266 0.984 -2.316 126 1HB ALA 17 1HB ALA 17 10.894 3.130 -0.918 127 2HB ALA 17 2HB ALA 17 11.275 1.410 -1.009 128 3HB ALA 17 3HB ALA 17 9.874 1.954 -0.086 129 H ASN 18 H ASN 18 9.267 4.353 -3.169 130 HA ASN 18 HA ASN 18 7.172 5.364 -1.579 131 1HB ASN 18 1HB ASN 18 8.561 6.656 -3.255 132 2HB ASN 18 2HB ASN 18 7.559 5.956 -4.527 133 2HD2 ASN 18 2HD2 ASN 18 6.199 7.648 -5.179 134 1HD2 ASN 18 1HD2 ASN 18 5.265 8.593 -4.121 135 H SER 19 H SER 19 7.069 3.179 -4.329 136 HA SER 19 HA SER 19 4.365 3.330 -5.077 137 1HB SER 19 1HB SER 19 6.113 0.862 -4.838 138 2HB SER 19 2HB SER 19 4.585 0.929 -5.713 139 HG SER 19 HG SER 19 6.140 1.351 -7.203 140 H LEU 20 H LEU 20 5.810 1.943 -2.206 141 HA LEU 20 HA LEU 20 3.637 0.347 -1.299 142 1HB LEU 20 1HB LEU 20 5.882 0.308 -0.273 143 2HB LEU 20 2HB LEU 20 5.658 1.959 0.294 144 HG LEU 20 HG LEU 20 3.766 1.235 1.698 145 1HD1 LEU 20 1HD1 LEU 20 4.316 -1.396 0.335 146 2HD1 LEU 20 2HD1 LEU 20 3.629 -1.381 1.959 147 3HD1 LEU 20 3HD1 LEU 20 2.769 -0.602 0.634 148 1HD2 LEU 20 1HD2 LEU 20 6.294 -0.413 2.023 149 2HD2 LEU 20 2HD2 LEU 20 6.017 1.207 2.663 150 3HD2 LEU 20 3HD2 LEU 20 5.092 -0.158 3.289 151 H ALA 21 H ALA 21 4.414 3.770 -0.603 152 HA ALA 21 HA ALA 21 2.034 4.236 0.923 153 1HB ALA 21 1HB ALA 21 3.979 6.073 -0.480 154 2HB ALA 21 2HB ALA 21 3.837 5.760 1.249 155 3HB ALA 21 3HB ALA 21 2.589 6.687 0.415 156 H GLU 22 H GLU 22 2.853 4.680 -2.496 157 HA GLU 22 HA GLU 22 0.469 6.027 -3.296 158 1HB GLU 22 1HB GLU 22 2.545 5.728 -4.702 159 2HB GLU 22 2HB GLU 22 2.065 4.050 -4.949 160 1HG GLU 22 1HG GLU 22 1.282 5.339 -6.841 161 2HG GLU 22 2HG GLU 22 -0.118 4.877 -5.876 162 H ALA 23 H ALA 23 1.214 2.578 -2.937 163 HA ALA 23 HA ALA 23 -1.116 1.522 -4.146 164 1HB ALA 23 1HB ALA 23 -0.729 -0.467 -2.769 165 2HB ALA 23 2HB ALA 23 0.813 0.152 -3.360 166 3HB ALA 23 3HB ALA 23 0.321 0.457 -1.694 167 H LYS 24 H LYS 24 -0.574 2.513 -0.748 168 HA LYS 24 HA LYS 24 -3.245 1.914 0.108 169 1HB LYS 24 1HB LYS 24 -1.169 3.855 1.158 170 2HB LYS 24 2HB LYS 24 -2.706 3.557 1.970 171 1HG LYS 24 1HG LYS 24 -2.112 1.093 1.973 172 2HG LYS 24 2HG LYS 24 -0.507 1.547 1.407 173 1HD LYS 24 1HD LYS 24 -1.768 2.659 3.929 174 2HD LYS 24 2HD LYS 24 -0.707 1.255 3.917 175 1HE LYS 24 1HE LYS 24 0.764 3.010 4.397 176 2HE LYS 24 2HE LYS 24 0.962 2.816 2.657 177 1HZ LYS 24 1HZ LYS 24 -1.191 4.576 3.344 178 2HZ LYS 24 2HZ LYS 24 0.300 5.120 3.941 179 3HZ LYS 24 3HZ LYS 24 0.109 4.821 2.279 180 H VAL 25 H VAL 25 -1.758 4.847 -1.248 181 HA VAL 25 HA VAL 25 -4.020 6.558 -0.924 182 HB VAL 25 HB VAL 25 -1.792 6.538 -2.974 183 1HG1 VAL 25 1HG1 VAL 25 -4.038 8.513 -2.515 184 2HG1 VAL 25 2HG1 VAL 25 -2.530 8.969 -3.307 185 3HG1 VAL 25 3HG1 VAL 25 -3.566 7.738 -4.028 186 1HG2 VAL 25 1HG2 VAL 25 -1.213 6.941 -0.571 187 2HG2 VAL 25 2HG2 VAL 25 -0.882 8.333 -1.602 188 3HG2 VAL 25 3HG2 VAL 25 -2.315 8.318 -0.574 189 H LEU 26 H LEU 26 -3.016 4.505 -3.658 190 HA LEU 26 HA LEU 26 -5.276 5.112 -5.311 191 1HB LEU 26 1HB LEU 26 -3.386 2.748 -5.224 192 2HB LEU 26 2HB LEU 26 -4.612 2.952 -6.473 193 HG LEU 26 HG LEU 26 -2.488 5.022 -5.840 194 1HD1 LEU 26 1HD1 LEU 26 -2.549 2.814 -7.915 195 2HD1 LEU 26 2HD1 LEU 26 -1.437 4.181 -7.980 196 3HD1 LEU 26 3HD1 LEU 26 -1.360 3.043 -6.634 197 1HD2 LEU 26 1HD2 LEU 26 -4.665 4.759 -7.913 198 2HD2 LEU 26 2HD2 LEU 26 -4.151 6.180 -7.007 199 3HD2 LEU 26 3HD2 LEU 26 -3.172 5.594 -8.345 200 H ALA 27 H ALA 27 -4.682 2.544 -2.929 201 HA ALA 27 HA ALA 27 -7.118 1.107 -3.450 202 1HB ALA 27 1HB ALA 27 -5.248 0.075 -2.246 203 2HB ALA 27 2HB ALA 27 -5.427 1.241 -0.935 204 3HB ALA 27 3HB ALA 27 -6.697 0.057 -1.241 205 H ASN 28 H ASN 28 -6.299 3.721 -1.190 206 HA ASN 28 HA ASN 28 -8.711 3.707 0.311 207 1HB ASN 28 1HB ASN 28 -6.716 5.003 0.951 208 2HB ASN 28 2HB ASN 28 -6.949 6.058 -0.441 209 2HD2 ASN 28 2HD2 ASN 28 -7.069 6.719 2.507 210 1HD2 ASN 28 1HD2 ASN 28 -8.600 7.416 2.741 211 H ARG 29 H ARG 29 -7.927 5.363 -2.758 212 HA ARG 29 HA ARG 29 -10.467 6.734 -2.905 213 1HB ARG 29 1HB ARG 29 -8.409 6.059 -5.021 214 2HB ARG 29 2HB ARG 29 -9.859 7.009 -5.348 215 1HG ARG 29 1HG ARG 29 -9.144 8.564 -3.477 216 2HG ARG 29 2HG ARG 29 -7.611 7.691 -3.437 217 1HD ARG 29 1HD ARG 29 -8.777 9.191 -5.798 218 2HD ARG 29 2HD ARG 29 -7.358 9.649 -4.857 219 HE ARG 29 HE ARG 29 -6.728 7.123 -5.789 220 1HH1 ARG 29 1HH1 ARG 29 -5.679 6.785 -7.766 221 2HH1 ARG 29 2HH1 ARG 29 -5.822 7.972 -9.020 222 1HH2 ARG 29 1HH2 ARG 29 -7.849 10.080 -7.158 223 2HH2 ARG 29 2HH2 ARG 29 -7.052 9.838 -8.676 224 H GLU 30 H GLU 30 -9.370 3.546 -3.894 225 HA GLU 30 HA GLU 30 -11.466 2.913 -5.707 226 1HB GLU 30 1HB GLU 30 -9.456 1.502 -5.396 227 2HB GLU 30 2HB GLU 30 -10.017 1.069 -3.782 228 1HG GLU 30 1HG GLU 30 -12.048 0.053 -4.758 229 2HG GLU 30 2HG GLU 30 -11.486 0.487 -6.372 230 H LEU 31 H LEU 31 -11.299 2.683 -2.184 231 HA LEU 31 HA LEU 31 -13.762 1.333 -1.737 232 1HB LEU 31 1HB LEU 31 -12.699 3.524 0.057 233 2HB LEU 31 2HB LEU 31 -13.573 2.063 0.516 234 HG LEU 31 HG LEU 31 -10.757 2.280 -0.541 235 1HD1 LEU 31 1HD1 LEU 31 -11.207 2.695 1.897 236 2HD1 LEU 31 2HD1 LEU 31 -11.850 1.056 2.009 237 3HD1 LEU 31 3HD1 LEU 31 -10.156 1.311 1.599 238 1HD2 LEU 31 1HD2 LEU 31 -12.573 -0.121 -0.216 239 2HD2 LEU 31 2HD2 LEU 31 -11.607 0.333 -1.619 240 3HD2 LEU 31 3HD2 LEU 31 -10.818 -0.282 -0.168 241 H ASP 32 H ASP 32 -13.034 4.676 -2.470 242 HA ASP 32 HA ASP 32 -15.477 5.875 -1.673 243 1HB ASP 32 1HB ASP 32 -13.419 7.087 -2.379 244 2HB ASP 32 2HB ASP 32 -13.742 6.599 -4.042 245 H LYS 33 H LYS 33 -14.591 4.252 -4.733 246 HA LYS 33 HA LYS 33 -17.027 4.844 -6.101 247 1HB LYS 33 1HB LYS 33 -15.146 2.477 -6.310 248 2HB LYS 33 2HB LYS 33 -16.508 2.729 -7.403 249 1HG LYS 33 1HG LYS 33 -15.581 4.979 -7.974 250 2HG LYS 33 2HG LYS 33 -14.176 4.622 -6.974 251 1HD LYS 33 1HD LYS 33 -15.001 2.756 -9.201 252 2HD LYS 33 2HD LYS 33 -14.011 4.175 -9.533 253 1HE LYS 33 1HE LYS 33 -12.382 3.377 -7.803 254 2HE LYS 33 2HE LYS 33 -13.335 1.902 -7.644 255 1HZ LYS 33 1HZ LYS 33 -12.631 2.642 -10.353 256 2HZ LYS 33 2HZ LYS 33 -11.320 2.200 -9.366 257 3HZ LYS 33 3HZ LYS 33 -12.607 1.119 -9.599 258 H TYR 34 H TYR 34 -16.108 2.035 -4.094 259 HA TYR 34 HA TYR 34 -18.739 0.842 -4.189 260 1HB TYR 34 1HB TYR 34 -16.384 0.448 -2.325 261 2HB TYR 34 2HB TYR 34 -17.870 -0.498 -2.221 262 HD1 TYR 34 HD1 TYR 34 -14.869 0.215 -4.229 263 HD2 TYR 34 HD2 TYR 34 -18.495 -2.074 -3.986 264 HE1 TYR 34 HE1 TYR 34 -14.065 -1.252 -6.058 265 HE2 TYR 34 HE2 TYR 34 -17.691 -3.544 -5.814 266 HH TYR 34 HH TYR 34 -15.931 -4.095 -7.089 267 H GLY 35 H GLY 35 -17.168 3.181 -2.078 268 1HA GLY 35 1HA GLY 35 -19.797 3.724 -0.793 269 2HA GLY 35 2HA GLY 35 -18.390 4.788 -0.754 270 H VAL 36 H VAL 36 -17.407 1.635 -0.225 271 HA VAL 36 HA VAL 36 -18.007 1.418 2.609 272 HB VAL 36 HB VAL 36 -17.586 -0.550 1.149 273 1HG1 VAL 36 1HG1 VAL 36 -15.679 0.746 -0.082 274 2HG1 VAL 36 2HG1 VAL 36 -14.651 0.120 1.206 275 3HG1 VAL 36 3HG1 VAL 36 -15.514 -0.994 0.147 276 1HG2 VAL 36 1HG2 VAL 36 -16.998 -0.386 3.729 277 2HG2 VAL 36 2HG2 VAL 36 -16.552 -1.817 2.801 278 3HG2 VAL 36 3HG2 VAL 36 -15.344 -0.582 3.141 279 H SER 37 H SER 37 -16.503 3.785 1.396 280 HA SER 37 HA SER 37 -13.875 3.701 2.665 281 1HB SER 37 1HB SER 37 -15.238 6.201 1.668 282 2HB SER 37 2HB SER 37 -13.515 5.834 1.730 283 HG SER 37 HG SER 37 -15.434 4.480 0.135 284 H ASP 38 H ASP 38 -14.064 3.553 4.860 285 HA ASP 38 HA ASP 38 -14.747 5.929 6.342 286 1HB ASP 38 1HB ASP 38 -16.641 3.571 6.381 287 2HB ASP 38 2HB ASP 38 -16.473 4.602 7.801 288 H TYR 39 H TYR 39 -15.416 3.072 8.075 289 HA TYR 39 HA TYR 39 -13.045 3.255 9.661 290 1HB TYR 39 1HB TYR 39 -14.972 2.095 10.553 291 2HB TYR 39 2HB TYR 39 -15.001 0.981 9.186 292 HD1 TYR 39 HD1 TYR 39 -13.336 1.842 12.354 293 HD2 TYR 39 HD2 TYR 39 -13.329 -0.770 8.948 294 HE1 TYR 39 HE1 TYR 39 -11.786 0.304 13.534 295 HE2 TYR 39 HE2 TYR 39 -11.785 -2.303 10.119 296 HH TYR 39 HH TYR 39 -11.351 -2.606 13.032 297 H TYR 40 H TYR 40 -13.943 1.303 6.867 298 HA TYR 40 HA TYR 40 -11.616 -0.318 6.692 299 1HB TYR 40 1HB TYR 40 -13.375 0.716 4.442 300 2HB TYR 40 2HB TYR 40 -12.287 -0.669 4.354 301 HD1 TYR 40 HD1 TYR 40 -15.543 0.526 5.389 302 HD2 TYR 40 HD2 TYR 40 -12.703 -2.670 5.851 303 HE1 TYR 40 HE1 TYR 40 -17.330 -0.936 6.300 304 HE2 TYR 40 HE2 TYR 40 -14.492 -4.130 6.757 305 HH TYR 40 HH TYR 40 -17.720 -2.877 7.433 306 H LYS 41 H LYS 41 -12.246 2.981 5.497 307 HA LYS 41 HA LYS 41 -9.952 3.137 3.810 308 1HB LYS 41 1HB LYS 41 -10.675 5.284 3.426 309 2HB LYS 41 2HB LYS 41 -12.099 4.769 4.323 310 1HG LYS 41 1HG LYS 41 -10.999 5.614 6.425 311 2HG LYS 41 2HG LYS 41 -9.702 6.271 5.433 312 1HD LYS 41 1HD LYS 41 -12.568 6.979 4.804 313 2HD LYS 41 2HD LYS 41 -11.726 7.813 6.105 314 1HE LYS 41 1HE LYS 41 -10.454 7.560 3.384 315 2HE LYS 41 2HE LYS 41 -11.620 8.837 3.719 316 1HZ LYS 41 1HZ LYS 41 -10.113 9.137 5.825 317 2HZ LYS 41 2HZ LYS 41 -8.943 8.425 4.820 318 3HZ LYS 41 3HZ LYS 41 -9.710 9.866 4.348 319 H ASN 42 H ASN 42 -10.453 3.806 7.238 320 HA ASN 42 HA ASN 42 -7.803 4.798 7.723 321 1HB ASN 42 1HB ASN 42 -9.871 3.555 9.552 322 2HB ASN 42 2HB ASN 42 -8.340 4.210 10.132 323 2HD2 ASN 42 2HD2 ASN 42 -7.982 6.554 8.820 324 1HD2 ASN 42 1HD2 ASN 42 -9.296 7.606 9.032 325 H LEU 43 H LEU 43 -9.256 1.595 7.705 326 HA LEU 43 HA LEU 43 -7.116 0.167 8.908 327 1HB LEU 43 1HB LEU 43 -9.327 -0.838 8.454 328 2HB LEU 43 2HB LEU 43 -9.018 -0.739 6.722 329 HG LEU 43 HG LEU 43 -7.068 -2.240 6.989 330 1HD1 LEU 43 1HD1 LEU 43 -7.822 -1.993 9.891 331 2HD1 LEU 43 2HD1 LEU 43 -7.086 -3.489 9.317 332 3HD1 LEU 43 3HD1 LEU 43 -6.225 -1.964 9.145 333 1HD2 LEU 43 1HD2 LEU 43 -9.295 -3.182 6.490 334 2HD2 LEU 43 2HD2 LEU 43 -8.362 -4.288 7.498 335 3HD2 LEU 43 3HD2 LEU 43 -9.635 -3.300 8.216 336 H ILE 44 H ILE 44 -7.662 1.185 5.534 337 HA ILE 44 HA ILE 44 -5.429 -0.180 4.390 338 HB ILE 44 HB ILE 44 -6.588 2.521 3.603 339 1HG1 ILE 44 1HG1 ILE 44 -8.348 0.857 3.572 340 2HG1 ILE 44 2HG1 ILE 44 -7.853 1.160 1.911 341 1HG2 ILE 44 1HG2 ILE 44 -4.955 0.507 2.028 342 2HG2 ILE 44 2HG2 ILE 44 -5.662 1.982 1.372 343 3HG2 ILE 44 3HG2 ILE 44 -4.390 2.080 2.586 344 1HD1 ILE 44 1HD1 ILE 44 -6.233 -0.872 2.306 345 2HD1 ILE 44 2HD1 ILE 44 -7.342 -1.254 3.624 346 3HD1 ILE 44 3HD1 ILE 44 -7.936 -1.168 1.971 347 H ASN 45 H ASN 45 -5.695 2.980 5.989 348 HA ASN 45 HA ASN 45 -3.021 3.842 5.516 349 1HB ASN 45 1HB ASN 45 -4.974 4.420 7.760 350 2HB ASN 45 2HB ASN 45 -3.380 5.173 7.677 351 2HD2 ASN 45 2HD2 ASN 45 -3.205 5.526 4.831 352 1HD2 ASN 45 1HD2 ASN 45 -4.381 6.657 4.364 353 H ASN 46 H ASN 46 -4.436 1.764 8.002 354 HA ASN 46 HA ASN 46 -2.025 1.488 9.567 355 1HB ASN 46 1HB ASN 46 -4.525 -0.210 9.335 356 2HB ASN 46 2HB ASN 46 -3.228 -0.546 10.483 357 2HD2 ASN 46 2HD2 ASN 46 -6.168 0.574 10.716 358 1HD2 ASN 46 1HD2 ASN 46 -5.976 1.901 11.758 359 H ALA 47 H ALA 47 -3.101 0.090 6.585 360 HA ALA 47 HA ALA 47 -1.763 -2.416 6.645 361 1HB ALA 47 1HB ALA 47 -1.991 -0.653 4.196 362 2HB ALA 47 2HB ALA 47 -3.367 -1.533 4.862 363 3HB ALA 47 3HB ALA 47 -1.963 -2.416 4.262 364 H LYS 48 H LYS 48 0.368 -2.979 6.450 365 HA LYS 48 HA LYS 48 2.354 -0.822 5.804 366 1HB LYS 48 1HB LYS 48 3.879 -2.396 7.312 367 2HB LYS 48 2HB LYS 48 2.835 -1.185 8.049 368 1HG LYS 48 1HG LYS 48 2.611 -3.358 9.189 369 2HG LYS 48 2HG LYS 48 1.094 -2.893 8.422 370 1HD LYS 48 1HD LYS 48 1.475 -4.400 6.583 371 2HD LYS 48 2HD LYS 48 3.132 -4.706 7.107 372 1HE LYS 48 1HE LYS 48 1.587 -6.554 7.737 373 2HE LYS 48 2HE LYS 48 2.318 -5.785 9.146 374 1HZ LYS 48 1HZ LYS 48 -0.333 -5.017 8.064 375 2HZ LYS 48 2HZ LYS 48 -0.129 -6.166 9.297 376 3HZ LYS 48 3HZ LYS 48 0.353 -4.560 9.549 377 H THR 49 H THR 49 0.966 -3.356 4.428 378 HA THR 49 HA THR 49 3.472 -4.107 2.986 379 HB THR 49 HB THR 49 1.385 -6.191 3.647 380 HG1 THR 49 HG1 THR 49 3.738 -6.037 5.118 381 1HG2 THR 49 1HG2 THR 49 4.332 -6.280 2.962 382 2HG2 THR 49 2HG2 THR 49 3.324 -7.690 3.286 383 3HG2 THR 49 3HG2 THR 49 3.004 -6.683 1.875 384 H VAL 50 H VAL 50 3.124 -3.557 0.912 385 HA VAL 50 HA VAL 50 0.592 -2.897 -0.192 386 HB VAL 50 HB VAL 50 2.662 -2.095 -1.166 387 1HG1 VAL 50 1HG1 VAL 50 3.929 -4.246 -0.687 388 2HG1 VAL 50 2HG1 VAL 50 3.155 -4.925 -2.118 389 3HG1 VAL 50 3HG1 VAL 50 4.234 -3.540 -2.273 390 1HG2 VAL 50 1HG2 VAL 50 0.585 -2.464 -2.580 391 2HG2 VAL 50 2HG2 VAL 50 2.099 -2.382 -3.479 392 3HG2 VAL 50 3HG2 VAL 50 1.344 -3.945 -3.162 393 H GLU 51 H GLU 51 2.404 -5.951 -0.242 394 HA GLU 51 HA GLU 51 0.731 -7.309 -2.111 395 1HB GLU 51 1HB GLU 51 2.306 -8.338 0.272 396 2HB GLU 51 2HB GLU 51 1.501 -9.393 -0.890 397 1HG GLU 51 1HG GLU 51 3.525 -7.286 -1.687 398 2HG GLU 51 2HG GLU 51 3.949 -8.971 -1.377 399 H GLY 52 H GLY 52 0.514 -6.791 1.372 400 1HA GLY 52 1HA GLY 52 -1.229 -7.235 2.884 401 2HA GLY 52 2HA GLY 52 -1.912 -8.346 1.698 402 H VAL 53 H VAL 53 -1.185 -4.962 0.906 403 HA VAL 53 HA VAL 53 -3.740 -3.868 1.539 404 HB VAL 53 HB VAL 53 -1.716 -3.098 -0.581 405 1HG1 VAL 53 1HG1 VAL 53 -4.321 -1.787 0.232 406 2HG1 VAL 53 2HG1 VAL 53 -3.013 -0.883 -0.530 407 3HG1 VAL 53 3HG1 VAL 53 -3.784 -2.215 -1.392 408 1HG2 VAL 53 1HG2 VAL 53 -1.275 -2.909 1.978 409 2HG2 VAL 53 2HG2 VAL 53 -0.979 -1.486 0.986 410 3HG2 VAL 53 3HG2 VAL 53 -2.456 -1.603 1.941 411 H LYS 54 H LYS 54 -2.594 -5.230 -1.586 412 HA LYS 54 HA LYS 54 -5.135 -4.905 -2.886 413 1HB LYS 54 1HB LYS 54 -2.705 -6.609 -3.431 414 2HB LYS 54 2HB LYS 54 -4.162 -6.806 -4.402 415 1HG LYS 54 1HG LYS 54 -2.758 -5.231 -5.553 416 2HG LYS 54 2HG LYS 54 -4.084 -4.309 -4.852 417 1HD LYS 54 1HD LYS 54 -2.691 -3.555 -3.032 418 2HD LYS 54 2HD LYS 54 -1.392 -4.652 -3.505 419 1HE LYS 54 1HE LYS 54 -2.455 -2.433 -5.273 420 2HE LYS 54 2HE LYS 54 -1.032 -2.272 -4.245 421 1HZ LYS 54 1HZ LYS 54 -0.337 -4.452 -5.458 422 2HZ LYS 54 2HZ LYS 54 -1.416 -3.906 -6.651 423 3HZ LYS 54 3HZ LYS 54 -0.090 -2.946 -6.197 424 H ALA 55 H ALA 55 -3.714 -7.605 -1.063 425 HA ALA 55 HA ALA 55 -5.927 -9.399 -1.578 426 1HB ALA 55 1HB ALA 55 -4.946 -10.747 0.262 427 2HB ALA 55 2HB ALA 55 -3.842 -9.420 0.626 428 3HB ALA 55 3HB ALA 55 -3.729 -10.262 -0.919 429 H LEU 56 H LEU 56 -5.353 -6.846 0.714 430 HA LEU 56 HA LEU 56 -7.282 -7.682 2.680 431 1HB LEU 56 1HB LEU 56 -5.523 -6.041 3.204 432 2HB LEU 56 2HB LEU 56 -6.212 -4.916 2.037 433 HG LEU 56 HG LEU 56 -8.294 -4.805 3.350 434 1HD1 LEU 56 1HD1 LEU 56 -6.898 -6.929 4.966 435 2HD1 LEU 56 2HD1 LEU 56 -8.038 -5.845 5.764 436 3HD1 LEU 56 3HD1 LEU 56 -8.576 -6.858 4.426 437 1HD2 LEU 56 1HD2 LEU 56 -6.130 -3.413 3.865 438 2HD2 LEU 56 2HD2 LEU 56 -7.465 -3.382 5.015 439 3HD2 LEU 56 3HD2 LEU 56 -6.056 -4.395 5.329 440 H ILE 57 H ILE 57 -7.438 -5.593 -0.183 441 HA ILE 57 HA ILE 57 -10.149 -4.734 0.214 442 HB ILE 57 HB ILE 57 -8.700 -5.174 -2.414 443 1HG1 ILE 57 1HG1 ILE 57 -7.356 -3.691 -1.034 444 2HG1 ILE 57 2HG1 ILE 57 -8.191 -2.708 -2.230 445 1HG2 ILE 57 1HG2 ILE 57 -11.172 -3.649 -1.607 446 2HG2 ILE 57 2HG2 ILE 57 -10.271 -3.231 -3.065 447 3HG2 ILE 57 3HG2 ILE 57 -10.973 -4.836 -2.893 448 1HD1 ILE 57 1HD1 ILE 57 -10.023 -2.465 -0.363 449 2HD1 ILE 57 2HD1 ILE 57 -8.723 -2.955 0.719 450 3HD1 ILE 57 3HD1 ILE 57 -8.555 -1.498 -0.258 451 H ASP 58 H ASP 58 -8.673 -7.570 -1.286 452 HA ASP 58 HA ASP 58 -11.033 -8.629 -2.495 453 1HB ASP 58 1HB ASP 58 -8.602 -10.010 -1.325 454 2HB ASP 58 2HB ASP 58 -9.865 -10.861 -2.215 455 H GLU 59 H GLU 59 -9.751 -8.916 0.800 456 HA GLU 59 HA GLU 59 -11.801 -10.739 1.706 457 1HB GLU 59 1HB GLU 59 -9.925 -8.870 3.180 458 2HB GLU 59 2HB GLU 59 -11.034 -9.974 3.996 459 1HG GLU 59 1HG GLU 59 -9.995 -11.885 2.831 460 2HG GLU 59 2HG GLU 59 -8.882 -10.784 2.017 461 H ILE 60 H ILE 60 -11.393 -7.217 1.721 462 HA ILE 60 HA ILE 60 -13.784 -6.688 3.222 463 HB ILE 60 HB ILE 60 -12.251 -4.937 1.280 464 1HG1 ILE 60 1HG1 ILE 60 -12.248 -4.950 4.311 465 2HG1 ILE 60 2HG1 ILE 60 -11.050 -5.805 3.342 466 1HG2 ILE 60 1HG2 ILE 60 -14.452 -4.320 3.272 467 2HG2 ILE 60 2HG2 ILE 60 -13.411 -3.085 2.565 468 3HG2 ILE 60 3HG2 ILE 60 -14.477 -4.037 1.532 469 1HD1 ILE 60 1HD1 ILE 60 -11.609 -2.858 2.971 470 2HD1 ILE 60 2HD1 ILE 60 -10.404 -3.450 4.113 471 3HD1 ILE 60 3HD1 ILE 60 -10.224 -3.782 2.391 472 H LEU 61 H LEU 61 -13.085 -6.893 -0.259 473 HA LEU 61 HA LEU 61 -15.753 -6.142 -1.071 474 1HB LEU 61 1HB LEU 61 -13.544 -7.649 -2.503 475 2HB LEU 61 2HB LEU 61 -15.077 -7.233 -3.268 476 HG LEU 61 HG LEU 61 -13.116 -5.254 -2.066 477 1HD1 LEU 61 1HD1 LEU 61 -13.784 -5.937 -4.948 478 2HD1 LEU 61 2HD1 LEU 61 -12.708 -4.637 -4.437 479 3HD1 LEU 61 3HD1 LEU 61 -12.274 -6.319 -4.123 480 1HD2 LEU 61 1HD2 LEU 61 -15.865 -4.998 -3.263 481 2HD2 LEU 61 2HD2 LEU 61 -15.134 -4.094 -1.938 482 3HD2 LEU 61 3HD2 LEU 61 -14.694 -3.722 -3.600 483 H ALA 62 H ALA 62 -14.155 -9.237 -0.424 484 HA ALA 62 HA ALA 62 -16.331 -10.903 -1.263 485 1HB ALA 62 1HB ALA 62 -14.319 -11.484 0.931 486 2HB ALA 62 2HB ALA 62 -13.984 -11.688 -0.789 487 3HB ALA 62 3HB ALA 62 -15.230 -12.664 -0.011 488 H ALA 63 H ALA 63 -15.885 -8.875 1.484 489 HA ALA 63 HA ALA 63 -17.507 -10.195 3.411 490 1HB ALA 63 1HB ALA 63 -16.082 -8.169 3.840 491 2HB ALA 63 2HB ALA 63 -17.282 -7.202 2.981 492 3HB ALA 63 3HB ALA 63 -17.719 -8.026 4.478 493 H LEU 64 H LEU 64 -18.373 -7.993 0.754 494 HA LEU 64 HA LEU 64 -21.139 -7.781 1.435 495 1HB LEU 64 1HB LEU 64 -19.669 -7.523 -1.201 496 2HB LEU 64 2HB LEU 64 -21.385 -7.174 -1.038 497 HG LEU 64 HG LEU 64 -19.382 -5.853 0.801 498 1HD1 LEU 64 1HD1 LEU 64 -20.203 -4.893 -1.958 499 2HD1 LEU 64 2HD1 LEU 64 -19.282 -3.955 -0.784 500 3HD1 LEU 64 3HD1 LEU 64 -18.588 -5.417 -1.484 501 1HD2 LEU 64 1HD2 LEU 64 -22.147 -5.145 -0.241 502 2HD2 LEU 64 2HD2 LEU 64 -21.703 -5.544 1.418 503 3HD2 LEU 64 3HD2 LEU 64 -21.148 -4.038 0.697 504 HA PRO 65 HA PRO 65 -22.615 -11.841 0.350 505 1HB PRO 65 1HB PRO 65 -25.019 -11.048 -0.964 506 2HB PRO 65 2HB PRO 65 -24.827 -11.447 0.747 507 1HG PRO 65 1HG PRO 65 -25.107 -8.797 -0.527 508 2HG PRO 65 2HG PRO 65 -25.394 -9.267 1.153 509 1HD PRO 65 1HD PRO 65 -23.203 -7.767 0.258 510 2HD PRO 65 2HD PRO 65 -23.266 -8.654 1.800 No H/Q in entry = 510 Start of MODEL 14 1 H1 MET 1 H1 MET 1 25.405 11.832 -21.404 2 H2 MET 1 H2 MET 1 26.594 11.293 -22.486 3 H3 MET 1 H3 MET 1 26.818 12.746 -21.635 4 HA MET 1 HA MET 1 25.073 13.818 -22.818 5 1HB MET 1 1HB MET 1 27.355 13.618 -23.877 6 2HB MET 1 2HB MET 1 26.755 12.235 -24.788 7 1HG MET 1 1HG MET 1 26.527 14.175 -26.202 8 2HG MET 1 2HG MET 1 24.906 13.742 -25.658 9 1HE MET 1 1HE MET 1 24.486 15.992 -26.676 10 2HE MET 1 2HE MET 1 24.667 17.542 -25.844 11 3HE MET 1 3HE MET 1 26.028 16.843 -26.718 12 H LYS 2 H LYS 2 25.235 11.664 -25.451 13 HA LYS 2 HA LYS 2 22.386 11.242 -25.435 14 1HB LYS 2 1HB LYS 2 24.617 9.994 -27.055 15 2HB LYS 2 2HB LYS 2 22.911 9.644 -27.333 16 1HG LYS 2 1HG LYS 2 22.536 12.135 -27.587 17 2HG LYS 2 2HG LYS 2 24.285 12.336 -27.554 18 1HD LYS 2 1HD LYS 2 22.919 10.476 -29.510 19 2HD LYS 2 2HD LYS 2 23.189 12.178 -29.872 20 1HE LYS 2 1HE LYS 2 25.309 10.098 -29.254 21 2HE LYS 2 2HE LYS 2 25.028 10.898 -30.796 22 1HZ LYS 2 1HZ LYS 2 25.381 13.033 -29.398 23 2HZ LYS 2 2HZ LYS 2 26.183 11.988 -28.324 24 3HZ LYS 2 3HZ LYS 2 26.724 12.143 -29.927 25 H ALA 3 H ALA 3 25.163 9.225 -24.540 26 HA ALA 3 HA ALA 3 24.016 6.724 -24.243 27 1HB ALA 3 1HB ALA 3 25.902 8.125 -22.327 28 2HB ALA 3 2HB ALA 3 25.566 6.394 -22.306 29 3HB ALA 3 3HB ALA 3 26.355 7.121 -23.704 30 H ILE 4 H ILE 4 24.255 8.895 -21.399 31 HA ILE 4 HA ILE 4 21.559 7.885 -20.519 32 HB ILE 4 HB ILE 4 23.929 8.714 -18.814 33 1HG1 ILE 4 1HG1 ILE 4 24.346 6.546 -19.841 34 2HG1 ILE 4 2HG1 ILE 4 23.942 6.301 -18.146 35 1HG2 ILE 4 1HG2 ILE 4 21.138 7.762 -18.149 36 2HG2 ILE 4 2HG2 ILE 4 22.462 7.711 -16.985 37 3HG2 ILE 4 3HG2 ILE 4 21.924 9.257 -17.642 38 1HD1 ILE 4 1HD1 ILE 4 21.479 6.029 -19.092 39 2HD1 ILE 4 2HD1 ILE 4 22.327 5.661 -20.591 40 3HD1 ILE 4 3HD1 ILE 4 22.613 4.683 -19.155 41 H PHE 5 H PHE 5 20.051 9.443 -20.338 42 HA PHE 5 HA PHE 5 20.945 12.297 -20.056 43 1HB PHE 5 1HB PHE 5 19.393 11.133 -22.087 44 2HB PHE 5 2HB PHE 5 18.192 11.895 -21.054 45 HD1 PHE 5 HD1 PHE 5 19.702 12.518 -23.961 46 HD2 PHE 5 HD2 PHE 5 19.547 14.275 -20.041 47 HE1 PHE 5 HE1 PHE 5 20.274 14.729 -24.928 48 HE2 PHE 5 HE2 PHE 5 20.119 16.484 -21.011 49 HZ PHE 5 HZ PHE 5 20.481 16.711 -23.453 50 H VAL 6 H VAL 6 19.115 9.704 -18.705 51 HA VAL 6 HA VAL 6 18.063 11.550 -16.580 52 HB VAL 6 HB VAL 6 16.061 10.138 -16.422 53 1HG1 VAL 6 1HG1 VAL 6 16.706 11.215 -19.176 54 2HG1 VAL 6 2HG1 VAL 6 15.094 10.682 -18.702 55 3HG1 VAL 6 3HG1 VAL 6 15.853 12.041 -17.873 56 1HG2 VAL 6 1HG2 VAL 6 17.411 8.633 -18.676 57 2HG2 VAL 6 2HG2 VAL 6 16.880 7.998 -17.119 58 3HG2 VAL 6 3HG2 VAL 6 15.689 8.479 -18.328 59 H LEU 7 H LEU 7 17.784 10.446 -14.479 60 HA LEU 7 HA LEU 7 20.040 8.852 -13.767 61 1HB LEU 7 1HB LEU 7 17.385 9.136 -12.320 62 2HB LEU 7 2HB LEU 7 18.881 8.530 -11.610 63 HG LEU 7 HG LEU 7 18.498 11.304 -12.779 64 1HD1 LEU 7 1HD1 LEU 7 17.263 10.971 -10.670 65 2HD1 LEU 7 2HD1 LEU 7 18.733 10.372 -9.900 66 3HD1 LEU 7 3HD1 LEU 7 18.636 12.051 -10.430 67 1HD2 LEU 7 1HD2 LEU 7 20.858 9.823 -11.622 68 2HD2 LEU 7 2HD2 LEU 7 20.792 10.901 -13.018 69 3HD2 LEU 7 3HD2 LEU 7 20.740 11.568 -11.391 70 H ASN 8 H ASN 8 20.305 6.640 -13.587 71 HA ASN 8 HA ASN 8 18.033 4.811 -13.796 72 1HB ASN 8 1HB ASN 8 18.558 5.531 -16.189 73 2HB ASN 8 2HB ASN 8 20.111 4.715 -15.995 74 2HD2 ASN 8 2HD2 ASN 8 20.002 2.669 -16.923 75 1HD2 ASN 8 1HD2 ASN 8 18.668 1.624 -16.830 76 H ALA 9 H ALA 9 18.740 2.562 -13.454 77 HA ALA 9 HA ALA 9 21.560 2.037 -12.914 78 1HB ALA 9 1HB ALA 9 20.750 3.295 -10.867 79 2HB ALA 9 2HB ALA 9 21.393 1.687 -10.540 80 3HB ALA 9 3HB ALA 9 19.649 1.950 -10.565 81 H GLN 10 H GLN 10 20.228 0.079 -10.781 82 HA GLN 10 HA GLN 10 19.995 -2.132 -12.680 83 1HB GLN 10 1HB GLN 10 19.706 -1.957 -9.669 84 2HB GLN 10 2HB GLN 10 19.528 -3.462 -10.571 85 1HG GLN 10 1HG GLN 10 21.807 -3.378 -9.819 86 2HG GLN 10 2HG GLN 10 21.833 -3.021 -11.546 87 2HE2 GLN 10 2HE2 GLN 10 21.081 -0.935 -8.694 88 1HE2 GLN 10 1HE2 GLN 10 22.231 0.253 -9.079 89 H HIS 11 H HIS 11 18.077 -3.560 -12.715 90 HA HIS 11 HA HIS 11 15.658 -2.126 -13.189 91 1HB HIS 11 1HB HIS 11 14.603 -4.336 -13.376 92 2HB HIS 11 2HB HIS 11 16.167 -4.343 -14.189 93 HD1 HIS 11 HD1 HIS 11 18.172 -5.510 -12.894 94 HD2 HIS 11 HD2 HIS 11 14.411 -6.092 -11.192 95 HE1 HIS 11 HE1 HIS 11 18.417 -7.421 -11.252 96 H ASP 12 H ASP 12 17.114 -2.878 -10.268 97 HA ASP 12 HA ASP 12 14.924 -3.645 -8.623 98 1HB ASP 12 1HB ASP 12 17.401 -2.009 -8.013 99 2HB ASP 12 2HB ASP 12 16.265 -2.547 -6.776 100 H GLU 13 H GLU 13 13.459 -2.374 -7.389 101 HA GLU 13 HA GLU 13 12.403 -0.061 -8.655 102 1HB GLU 13 1HB GLU 13 11.130 -1.506 -7.073 103 2HB GLU 13 2HB GLU 13 12.112 -0.883 -5.747 104 1HG GLU 13 1HG GLU 13 11.318 1.402 -6.218 105 2HG GLU 13 2HG GLU 13 10.344 0.791 -7.556 106 H ALA 14 H ALA 14 12.919 2.077 -8.491 107 HA ALA 14 HA ALA 14 14.245 3.222 -6.189 108 1HB ALA 14 1HB ALA 14 15.864 2.584 -8.660 109 2HB ALA 14 2HB ALA 14 16.317 3.902 -7.578 110 3HB ALA 14 3HB ALA 14 16.260 2.244 -6.976 111 H VAL 15 H VAL 15 12.526 3.389 -9.053 112 HA VAL 15 HA VAL 15 13.081 6.048 -9.948 113 HB VAL 15 HB VAL 15 11.763 4.363 -11.246 114 1HG1 VAL 15 1HG1 VAL 15 10.418 3.598 -9.236 115 2HG1 VAL 15 2HG1 VAL 15 9.485 5.087 -9.381 116 3HG1 VAL 15 3HG1 VAL 15 9.465 3.904 -10.687 117 1HG2 VAL 15 1HG2 VAL 15 11.653 6.831 -11.706 118 2HG2 VAL 15 2HG2 VAL 15 10.191 5.964 -12.172 119 3HG2 VAL 15 3HG2 VAL 15 10.217 6.912 -10.685 120 H ASP 16 H ASP 16 10.770 4.794 -7.555 121 HA ASP 16 HA ASP 16 10.762 7.392 -6.204 122 1HB ASP 16 1HB ASP 16 9.070 7.637 -8.057 123 2HB ASP 16 2HB ASP 16 8.158 6.317 -7.326 124 H ALA 17 H ALA 17 10.199 7.147 -4.056 125 HA ALA 17 HA ALA 17 9.781 4.368 -3.110 126 1HB ALA 17 1HB ALA 17 10.150 6.860 -1.432 127 2HB ALA 17 2HB ALA 17 10.447 5.186 -0.964 128 3HB ALA 17 3HB ALA 17 11.511 5.980 -2.126 129 H ASN 18 H ASN 18 7.847 6.815 -4.121 130 HA ASN 18 HA ASN 18 5.845 6.725 -1.976 131 1HB ASN 18 1HB ASN 18 5.839 7.978 -4.736 132 2HB ASN 18 2HB ASN 18 4.505 8.116 -3.589 133 2HD2 ASN 18 2HD2 ASN 18 5.719 8.583 -1.172 134 1HD2 ASN 18 1HD2 ASN 18 6.680 9.980 -1.231 135 H SER 19 H SER 19 6.703 4.544 -4.313 136 HA SER 19 HA SER 19 4.224 3.817 -5.514 137 1HB SER 19 1HB SER 19 6.485 2.901 -6.152 138 2HB SER 19 2HB SER 19 6.443 1.920 -4.690 139 HG SER 19 HG SER 19 4.170 1.802 -6.242 140 H LEU 20 H LEU 20 5.726 2.741 -2.457 141 HA LEU 20 HA LEU 20 3.686 0.889 -1.713 142 1HB LEU 20 1HB LEU 20 6.027 1.406 -0.636 143 2HB LEU 20 2HB LEU 20 5.143 2.597 0.312 144 HG LEU 20 HG LEU 20 4.413 -0.345 0.135 145 1HD1 LEU 20 1HD1 LEU 20 6.581 0.021 1.267 146 2HD1 LEU 20 2HD1 LEU 20 5.815 1.187 2.346 147 3HD1 LEU 20 3HD1 LEU 20 5.342 -0.511 2.404 148 1HD2 LEU 20 1HD2 LEU 20 3.287 2.033 1.614 149 2HD2 LEU 20 2HD2 LEU 20 2.436 0.754 0.748 150 3HD2 LEU 20 3HD2 LEU 20 3.153 0.422 2.321 151 H ALA 21 H ALA 21 4.093 4.340 -0.880 152 HA ALA 21 HA ALA 21 1.660 4.611 0.566 153 1HB ALA 21 1HB ALA 21 3.248 6.667 -0.994 154 2HB ALA 21 2HB ALA 21 3.420 6.293 0.722 155 3HB ALA 21 3HB ALA 21 1.942 7.052 0.129 156 H GLU 22 H GLU 22 2.423 4.999 -2.869 157 HA GLU 22 HA GLU 22 -0.068 6.086 -3.709 158 1HB GLU 22 1HB GLU 22 1.948 5.954 -5.154 159 2HB GLU 22 2HB GLU 22 1.771 4.201 -5.216 160 1HG GLU 22 1HG GLU 22 -0.406 4.420 -6.297 161 2HG GLU 22 2HG GLU 22 -0.316 6.179 -6.172 162 H ALA 23 H ALA 23 0.954 2.703 -3.241 163 HA ALA 23 HA ALA 23 -1.376 1.481 -4.322 164 1HB ALA 23 1HB ALA 23 -0.816 -0.437 -2.838 165 2HB ALA 23 2HB ALA 23 0.606 0.170 -3.688 166 3HB ALA 23 3HB ALA 23 0.350 0.580 -1.991 167 H LYS 24 H LYS 24 -0.679 2.746 -1.075 168 HA LYS 24 HA LYS 24 -3.153 1.966 0.137 169 1HB LYS 24 1HB LYS 24 -1.288 4.298 0.692 170 2HB LYS 24 2HB LYS 24 -2.659 3.874 1.720 171 1HG LYS 24 1HG LYS 24 -1.702 1.631 2.082 172 2HG LYS 24 2HG LYS 24 -0.327 2.051 1.057 173 1HD LYS 24 1HD LYS 24 0.262 3.891 2.594 174 2HD LYS 24 2HD LYS 24 -1.108 3.472 3.621 175 1HE LYS 24 1HE LYS 24 1.012 1.435 2.934 176 2HE LYS 24 2HE LYS 24 1.206 2.542 4.293 177 1HZ LYS 24 1HZ LYS 24 -1.301 1.042 4.016 178 2HZ LYS 24 2HZ LYS 24 0.066 0.248 4.629 179 3HZ LYS 24 3HZ LYS 24 -0.541 1.625 5.419 180 H VAL 25 H VAL 25 -2.156 4.837 -1.696 181 HA VAL 25 HA VAL 25 -4.634 6.262 -1.363 182 HB VAL 25 HB VAL 25 -2.434 6.470 -3.433 183 1HG1 VAL 25 1HG1 VAL 25 -4.932 8.127 -3.021 184 2HG1 VAL 25 2HG1 VAL 25 -3.510 8.752 -3.860 185 3HG1 VAL 25 3HG1 VAL 25 -4.374 7.357 -4.507 186 1HG2 VAL 25 1HG2 VAL 25 -3.187 8.126 -1.004 187 2HG2 VAL 25 2HG2 VAL 25 -1.772 7.084 -1.159 188 3HG2 VAL 25 3HG2 VAL 25 -1.907 8.541 -2.145 189 H LEU 26 H LEU 26 -3.347 4.249 -4.020 190 HA LEU 26 HA LEU 26 -5.616 4.460 -5.722 191 1HB LEU 26 1HB LEU 26 -3.588 2.233 -5.373 192 2HB LEU 26 2HB LEU 26 -4.780 2.267 -6.672 193 HG LEU 26 HG LEU 26 -2.738 4.447 -6.143 194 1HD1 LEU 26 1HD1 LEU 26 -2.773 2.144 -8.112 195 2HD1 LEU 26 2HD1 LEU 26 -1.696 3.533 -8.262 196 3HD1 LEU 26 3HD1 LEU 26 -1.571 2.467 -6.862 197 1HD2 LEU 26 1HD2 LEU 26 -4.959 4.076 -8.139 198 2HD2 LEU 26 2HD2 LEU 26 -4.393 5.548 -7.351 199 3HD2 LEU 26 3HD2 LEU 26 -3.478 4.858 -8.687 200 H ALA 27 H ALA 27 -4.903 2.187 -3.081 201 HA ALA 27 HA ALA 27 -7.258 0.573 -3.493 202 1HB ALA 27 1HB ALA 27 -5.288 -0.161 -2.145 203 2HB ALA 27 2HB ALA 27 -5.703 1.046 -0.928 204 3HB ALA 27 3HB ALA 27 -6.801 -0.296 -1.249 205 H ASN 28 H ASN 28 -6.533 3.418 -1.513 206 HA ASN 28 HA ASN 28 -9.012 3.542 -0.107 207 1HB ASN 28 1HB ASN 28 -6.834 4.893 0.266 208 2HB ASN 28 2HB ASN 28 -7.447 5.975 -0.983 209 2HD2 ASN 28 2HD2 ASN 28 -7.282 5.808 2.273 210 1HD2 ASN 28 1HD2 ASN 28 -8.747 6.555 2.698 211 H ARG 29 H ARG 29 -8.008 4.837 -3.260 212 HA ARG 29 HA ARG 29 -10.352 6.347 -3.818 213 1HB ARG 29 1HB ARG 29 -8.432 4.903 -5.661 214 2HB ARG 29 2HB ARG 29 -9.725 5.951 -6.243 215 1HG ARG 29 1HG ARG 29 -7.564 6.811 -4.303 216 2HG ARG 29 2HG ARG 29 -7.514 7.122 -6.035 217 1HD ARG 29 1HD ARG 29 -10.019 8.089 -5.365 218 2HD ARG 29 2HD ARG 29 -9.088 8.486 -3.925 219 HE ARG 29 HE ARG 29 -9.002 9.949 -6.313 220 1HH1 ARG 29 1HH1 ARG 29 -7.246 11.155 -7.014 221 2HH1 ARG 29 2HH1 ARG 29 -5.671 10.830 -6.371 222 1HH2 ARG 29 1HH2 ARG 29 -6.745 8.290 -4.288 223 2HH2 ARG 29 2HH2 ARG 29 -5.390 9.207 -4.839 224 H GLU 30 H GLU 30 -9.619 2.909 -4.345 225 HA GLU 30 HA GLU 30 -11.948 2.265 -5.841 226 1HB GLU 30 1HB GLU 30 -10.041 0.717 -5.571 227 2HB GLU 30 2HB GLU 30 -10.431 0.535 -3.860 228 1HG GLU 30 1HG GLU 30 -12.628 -0.412 -4.446 229 2HG GLU 30 2HG GLU 30 -12.267 -0.205 -6.160 230 H LEU 31 H LEU 31 -11.415 2.134 -2.307 231 HA LEU 31 HA LEU 31 -14.101 1.311 -1.679 232 1HB LEU 31 1HB LEU 31 -12.303 2.994 0.085 233 2HB LEU 31 2HB LEU 31 -13.560 1.863 0.591 234 HG LEU 31 HG LEU 31 -10.972 1.187 -0.808 235 1HD1 LEU 31 1HD1 LEU 31 -12.025 0.784 2.001 236 2HD1 LEU 31 2HD1 LEU 31 -10.677 -0.156 1.363 237 3HD1 LEU 31 3HD1 LEU 31 -10.540 1.596 1.502 238 1HD2 LEU 31 1HD2 LEU 31 -13.425 -0.453 -0.137 239 2HD2 LEU 31 2HD2 LEU 31 -12.514 -0.399 -1.647 240 3HD2 LEU 31 3HD2 LEU 31 -11.840 -1.217 -0.241 241 H ASP 32 H ASP 32 -12.520 4.415 -2.066 242 HA ASP 32 HA ASP 32 -14.600 6.104 -1.137 243 1HB ASP 32 1HB ASP 32 -12.281 6.829 -1.659 244 2HB ASP 32 2HB ASP 32 -12.622 6.602 -3.372 245 H LYS 33 H LYS 33 -14.023 4.626 -4.317 246 HA LYS 33 HA LYS 33 -16.072 5.996 -5.742 247 1HB LYS 33 1HB LYS 33 -14.369 4.577 -6.844 248 2HB LYS 33 2HB LYS 33 -15.092 3.146 -6.106 249 1HG LYS 33 1HG LYS 33 -17.145 3.462 -7.322 250 2HG LYS 33 2HG LYS 33 -16.626 5.044 -7.894 251 1HD LYS 33 1HD LYS 33 -16.352 3.353 -9.663 252 2HD LYS 33 2HD LYS 33 -14.788 3.991 -9.161 253 1HE LYS 33 1HE LYS 33 -15.022 1.422 -9.423 254 2HE LYS 33 2HE LYS 33 -14.236 2.032 -7.969 255 1HZ LYS 33 1HZ LYS 33 -16.385 1.867 -6.824 256 2HZ LYS 33 2HZ LYS 33 -17.074 1.192 -8.219 257 3HZ LYS 33 3HZ LYS 33 -15.845 0.360 -7.393 258 H TYR 34 H TYR 34 -16.193 2.862 -3.995 259 HA TYR 34 HA TYR 34 -19.038 2.547 -4.408 260 1HB TYR 34 1HB TYR 34 -17.123 1.277 -2.435 261 2HB TYR 34 2HB TYR 34 -18.826 0.837 -2.548 262 HD1 TYR 34 HD1 TYR 34 -19.734 -0.079 -4.709 263 HD2 TYR 34 HD2 TYR 34 -15.533 0.491 -4.037 264 HE1 TYR 34 HE1 TYR 34 -19.225 -1.590 -6.609 265 HE2 TYR 34 HE2 TYR 34 -15.022 -1.015 -5.939 266 HH TYR 34 HH TYR 34 -17.639 -2.499 -7.858 267 H GLY 35 H GLY 35 -17.052 4.103 -1.962 268 1HA GLY 35 1HA GLY 35 -19.532 5.250 -0.751 269 2HA GLY 35 2HA GLY 35 -17.920 5.954 -0.641 270 H VAL 36 H VAL 36 -17.787 2.605 -0.205 271 HA VAL 36 HA VAL 36 -18.436 2.559 2.630 272 HB VAL 36 HB VAL 36 -17.557 0.266 2.557 273 1HG1 VAL 36 1HG1 VAL 36 -19.849 0.739 1.702 274 2HG1 VAL 36 2HG1 VAL 36 -19.178 0.916 0.079 275 3HG1 VAL 36 3HG1 VAL 36 -19.105 -0.645 0.898 276 1HG2 VAL 36 1HG2 VAL 36 -16.574 1.161 -0.157 277 2HG2 VAL 36 2HG2 VAL 36 -15.638 0.460 1.162 278 3HG2 VAL 36 3HG2 VAL 36 -16.765 -0.544 0.252 279 H SER 37 H SER 37 -16.228 4.300 1.366 280 HA SER 37 HA SER 37 -13.781 3.356 2.649 281 1HB SER 37 1HB SER 37 -13.768 4.735 0.564 282 2HB SER 37 2HB SER 37 -14.406 6.087 1.488 283 HG SER 37 HG SER 37 -12.402 6.468 1.964 284 H ASP 38 H ASP 38 -13.708 3.419 4.839 285 HA ASP 38 HA ASP 38 -13.896 5.956 6.225 286 1HB ASP 38 1HB ASP 38 -16.087 3.896 6.553 287 2HB ASP 38 2HB ASP 38 -15.676 4.996 7.869 288 H TYR 39 H TYR 39 -14.812 3.135 8.010 289 HA TYR 39 HA TYR 39 -12.465 3.187 9.633 290 1HB TYR 39 1HB TYR 39 -14.470 2.118 10.471 291 2HB TYR 39 2HB TYR 39 -14.498 0.992 9.112 292 HD1 TYR 39 HD1 TYR 39 -12.902 -0.837 8.953 293 HD2 TYR 39 HD2 TYR 39 -12.875 1.839 12.310 294 HE1 TYR 39 HE1 TYR 39 -11.451 -2.409 10.188 295 HE2 TYR 39 HE2 TYR 39 -11.419 0.261 13.554 296 HH TYR 39 HH TYR 39 -10.433 -2.850 12.112 297 H TYR 40 H TYR 40 -13.368 1.208 6.839 298 HA TYR 40 HA TYR 40 -11.099 -0.490 6.773 299 1HB TYR 40 1HB TYR 40 -12.583 0.584 4.359 300 2HB TYR 40 2HB TYR 40 -11.721 -0.948 4.491 301 HD1 TYR 40 HD1 TYR 40 -12.570 -2.696 6.146 302 HD2 TYR 40 HD2 TYR 40 -14.844 0.778 5.035 303 HE1 TYR 40 HE1 TYR 40 -14.637 -3.778 6.988 304 HE2 TYR 40 HE2 TYR 40 -16.910 -0.307 5.879 305 HH TYR 40 HH TYR 40 -16.828 -3.597 7.260 306 H LYS 41 H LYS 41 -11.535 2.831 5.593 307 HA LYS 41 HA LYS 41 -9.144 2.879 4.012 308 1HB LYS 41 1HB LYS 41 -9.782 5.027 3.513 309 2HB LYS 41 2HB LYS 41 -11.276 4.588 4.332 310 1HG LYS 41 1HG LYS 41 -10.248 5.467 6.473 311 2HG LYS 41 2HG LYS 41 -8.916 6.087 5.506 312 1HD LYS 41 1HD LYS 41 -11.824 6.771 4.980 313 2HD LYS 41 2HD LYS 41 -10.758 7.766 5.971 314 1HE LYS 41 1HE LYS 41 -9.168 7.799 3.949 315 2HE LYS 41 2HE LYS 41 -10.522 7.158 3.019 316 1HZ LYS 41 1HZ LYS 41 -10.736 9.602 4.673 317 2HZ LYS 41 2HZ LYS 41 -10.286 9.637 3.035 318 3HZ LYS 41 3HZ LYS 41 -11.814 9.047 3.487 319 H ASN 42 H ASN 42 -9.835 3.641 7.395 320 HA ASN 42 HA ASN 42 -7.202 4.625 7.974 321 1HB ASN 42 1HB ASN 42 -9.234 5.027 9.404 322 2HB ASN 42 2HB ASN 42 -9.145 3.339 9.909 323 2HD2 ASN 42 2HD2 ASN 42 -8.715 4.147 12.152 324 1HD2 ASN 42 1HD2 ASN 42 -7.159 4.686 12.564 325 H LEU 43 H LEU 43 -8.710 1.428 8.185 326 HA LEU 43 HA LEU 43 -6.555 0.095 9.473 327 1HB LEU 43 1HB LEU 43 -8.797 -0.898 9.199 328 2HB LEU 43 2HB LEU 43 -8.554 -0.983 7.458 329 HG LEU 43 HG LEU 43 -6.700 -2.557 7.761 330 1HD1 LEU 43 1HD1 LEU 43 -7.193 -1.963 10.684 331 2HD1 LEU 43 2HD1 LEU 43 -6.485 -3.504 10.195 332 3HD1 LEU 43 3HD1 LEU 43 -5.662 -1.997 9.808 333 1HD2 LEU 43 1HD2 LEU 43 -9.068 -3.378 7.664 334 2HD2 LEU 43 2HD2 LEU 43 -8.014 -4.452 8.584 335 3HD2 LEU 43 3HD2 LEU 43 -9.111 -3.359 9.427 336 H ILE 44 H ILE 44 -7.180 0.749 6.029 337 HA ILE 44 HA ILE 44 -4.965 -0.750 5.003 338 HB ILE 44 HB ILE 44 -6.364 1.718 3.926 339 1HG1 ILE 44 1HG1 ILE 44 -6.568 -1.185 3.078 340 2HG1 ILE 44 2HG1 ILE 44 -7.659 -0.451 4.251 341 1HG2 ILE 44 1HG2 ILE 44 -4.304 -0.136 2.695 342 2HG2 ILE 44 2HG2 ILE 44 -5.350 0.904 1.730 343 3HG2 ILE 44 3HG2 ILE 44 -4.203 1.616 2.866 344 1HD1 ILE 44 1HD1 ILE 44 -7.225 0.803 1.541 345 2HD1 ILE 44 2HD1 ILE 44 -8.400 -0.490 1.773 346 3HD1 ILE 44 3HD1 ILE 44 -8.575 1.024 2.655 347 H ASN 45 H ASN 45 -5.257 2.626 6.093 348 HA ASN 45 HA ASN 45 -2.645 3.494 5.412 349 1HB ASN 45 1HB ASN 45 -4.545 4.929 6.321 350 2HB ASN 45 2HB ASN 45 -4.148 4.301 7.921 351 2HD2 ASN 45 2HD2 ASN 45 -3.509 6.549 8.553 352 1HD2 ASN 45 1HD2 ASN 45 -2.008 7.168 8.057 353 H ASN 46 H ASN 46 -3.801 1.403 7.959 354 HA ASN 46 HA ASN 46 -1.238 1.502 9.429 355 1HB ASN 46 1HB ASN 46 -3.476 1.295 10.580 356 2HB ASN 46 2HB ASN 46 -3.614 -0.320 9.885 357 2HD2 ASN 46 2HD2 ASN 46 -3.213 -1.723 11.622 358 1HD2 ASN 46 1HD2 ASN 46 -1.866 -1.617 12.649 359 H ALA 47 H ALA 47 -2.277 -0.040 6.663 360 HA ALA 47 HA ALA 47 -1.413 -2.731 7.049 361 1HB ALA 47 1HB ALA 47 -1.454 -0.979 4.579 362 2HB ALA 47 2HB ALA 47 -1.033 -2.689 4.538 363 3HB ALA 47 3HB ALA 47 -2.643 -2.190 5.056 364 H LYS 48 H LYS 48 0.623 -3.640 7.096 365 HA LYS 48 HA LYS 48 2.935 -1.761 7.056 366 1HB LYS 48 1HB LYS 48 2.685 -4.624 8.024 367 2HB LYS 48 2HB LYS 48 4.153 -3.649 8.121 368 1HG LYS 48 1HG LYS 48 2.965 -1.990 9.509 369 2HG LYS 48 2HG LYS 48 1.497 -2.964 9.417 370 1HD LYS 48 1HD LYS 48 2.667 -4.839 10.516 371 2HD LYS 48 2HD LYS 48 4.135 -3.866 10.614 372 1HE LYS 48 1HE LYS 48 2.973 -3.750 12.751 373 2HE LYS 48 2HE LYS 48 2.870 -2.177 11.959 374 1HZ LYS 48 1HZ LYS 48 0.676 -3.002 11.044 375 2HZ LYS 48 2HZ LYS 48 0.776 -4.253 12.189 376 3HZ LYS 48 3HZ LYS 48 0.718 -2.638 12.703 377 H THR 49 H THR 49 1.402 -3.749 4.865 378 HA THR 49 HA THR 49 3.851 -3.845 3.211 379 HB THR 49 HB THR 49 2.276 -6.404 3.526 380 HG1 THR 49 HG1 THR 49 3.715 -7.010 5.115 381 1HG2 THR 49 1HG2 THR 49 3.861 -6.083 1.621 382 2HG2 THR 49 2HG2 THR 49 5.158 -5.828 2.789 383 3HG2 THR 49 3HG2 THR 49 4.346 -7.392 2.700 384 H VAL 50 H VAL 50 3.392 -4.070 0.971 385 HA VAL 50 HA VAL 50 0.916 -2.933 0.099 386 HB VAL 50 HB VAL 50 2.982 -4.498 -1.457 387 1HG1 VAL 50 1HG1 VAL 50 0.665 -2.752 -2.304 388 2HG1 VAL 50 2HG1 VAL 50 2.010 -3.129 -3.380 389 3HG1 VAL 50 3HG1 VAL 50 0.983 -4.425 -2.764 390 1HG2 VAL 50 1HG2 VAL 50 2.637 -1.561 -0.817 391 2HG2 VAL 50 2HG2 VAL 50 4.032 -2.584 -0.475 392 3HG2 VAL 50 3HG2 VAL 50 3.659 -2.126 -2.137 393 H GLU 51 H GLU 51 2.096 -6.299 0.186 394 HA GLU 51 HA GLU 51 -0.078 -7.459 -1.235 395 1HB GLU 51 1HB GLU 51 0.545 -9.568 -0.131 396 2HB GLU 51 2HB GLU 51 1.989 -8.706 -0.655 397 1HG GLU 51 1HG GLU 51 2.288 -7.820 1.637 398 2HG GLU 51 2HG GLU 51 0.854 -8.700 2.161 399 H GLY 52 H GLY 52 0.282 -6.491 2.130 400 1HA GLY 52 1HA GLY 52 -1.300 -6.393 3.864 401 2HA GLY 52 2HA GLY 52 -2.201 -7.661 3.029 402 H VAL 53 H VAL 53 -1.289 -4.603 1.500 403 HA VAL 53 HA VAL 53 -3.746 -3.212 2.056 404 HB VAL 53 HB VAL 53 -1.717 -2.916 -0.176 405 1HG1 VAL 53 1HG1 VAL 53 -4.158 -1.269 0.515 406 2HG1 VAL 53 2HG1 VAL 53 -2.804 -0.614 -0.407 407 3HG1 VAL 53 3HG1 VAL 53 -3.730 -1.972 -1.046 408 1HG2 VAL 53 1HG2 VAL 53 -0.978 -2.444 2.169 409 2HG2 VAL 53 2HG2 VAL 53 -0.944 -1.015 1.137 410 3HG2 VAL 53 3HG2 VAL 53 -2.258 -1.238 2.292 411 H LYS 54 H LYS 54 -2.698 -5.043 -0.843 412 HA LYS 54 HA LYS 54 -5.243 -4.774 -2.177 413 1HB LYS 54 1HB LYS 54 -3.034 -6.808 -2.593 414 2HB LYS 54 2HB LYS 54 -4.374 -6.526 -3.699 415 1HG LYS 54 1HG LYS 54 -2.409 -4.369 -2.871 416 2HG LYS 54 2HG LYS 54 -2.217 -5.352 -4.321 417 1HD LYS 54 1HD LYS 54 -4.638 -4.565 -4.903 418 2HD LYS 54 2HD LYS 54 -4.352 -3.309 -3.700 419 1HE LYS 54 1HE LYS 54 -2.556 -3.846 -6.080 420 2HE LYS 54 2HE LYS 54 -3.764 -2.564 -6.000 421 1HZ LYS 54 1HZ LYS 54 -2.476 -2.063 -3.770 422 2HZ LYS 54 2HZ LYS 54 -1.203 -2.797 -4.616 423 3HZ LYS 54 3HZ LYS 54 -1.970 -1.425 -5.261 424 H ALA 55 H ALA 55 -3.831 -7.321 -0.150 425 HA ALA 55 HA ALA 55 -5.835 -9.283 -0.559 426 1HB ALA 55 1HB ALA 55 -4.155 -8.716 1.900 427 2HB ALA 55 2HB ALA 55 -5.095 -10.187 1.647 428 3HB ALA 55 3HB ALA 55 -3.745 -9.808 0.577 429 H LEU 56 H LEU 56 -5.795 -6.496 1.621 430 HA LEU 56 HA LEU 56 -8.056 -7.252 3.191 431 1HB LEU 56 1HB LEU 56 -6.501 -5.395 3.799 432 2HB LEU 56 2HB LEU 56 -7.129 -4.454 2.452 433 HG LEU 56 HG LEU 56 -9.444 -4.708 3.518 434 1HD1 LEU 56 1HD1 LEU 56 -7.700 -5.780 5.747 435 2HD1 LEU 56 2HD1 LEU 56 -9.282 -5.066 6.053 436 3HD1 LEU 56 3HD1 LEU 56 -9.149 -6.510 5.055 437 1HD2 LEU 56 1HD2 LEU 56 -7.169 -3.155 4.755 438 2HD2 LEU 56 2HD2 LEU 56 -8.460 -2.578 3.699 439 3HD2 LEU 56 3HD2 LEU 56 -8.812 -2.998 5.374 440 H ILE 57 H ILE 57 -7.755 -5.350 0.201 441 HA ILE 57 HA ILE 57 -10.516 -4.714 -0.097 442 HB ILE 57 HB ILE 57 -8.674 -5.336 -2.419 443 1HG1 ILE 57 1HG1 ILE 57 -7.321 -3.985 -0.955 444 2HG1 ILE 57 2HG1 ILE 57 -7.953 -2.910 -2.198 445 1HG2 ILE 57 1HG2 ILE 57 -10.878 -3.304 -1.955 446 2HG2 ILE 57 2HG2 ILE 57 -9.905 -3.419 -3.422 447 3HG2 ILE 57 3HG2 ILE 57 -10.977 -4.740 -2.970 448 1HD1 ILE 57 1HD1 ILE 57 -9.880 -2.442 -0.535 449 2HD1 ILE 57 2HD1 ILE 57 -8.830 -3.170 0.678 450 3HD1 ILE 57 3HD1 ILE 57 -8.310 -1.726 -0.187 451 H ASP 58 H ASP 58 -8.596 -7.538 -1.058 452 HA ASP 58 HA ASP 58 -10.625 -8.876 -2.556 453 1HB ASP 58 1HB ASP 58 -8.266 -9.607 -2.539 454 2HB ASP 58 2HB ASP 58 -8.431 -10.090 -0.850 455 H GLU 59 H GLU 59 -9.922 -8.868 0.926 456 HA GLU 59 HA GLU 59 -11.934 -10.831 1.589 457 1HB GLU 59 1HB GLU 59 -10.529 -8.710 3.237 458 2HB GLU 59 2HB GLU 59 -11.660 -9.876 3.921 459 1HG GLU 59 1HG GLU 59 -10.255 -11.729 3.098 460 2HG GLU 59 2HG GLU 59 -9.121 -10.566 2.411 461 H ILE 60 H ILE 60 -11.842 -7.299 1.435 462 HA ILE 60 HA ILE 60 -14.491 -6.921 2.472 463 HB ILE 60 HB ILE 60 -12.759 -5.151 0.729 464 1HG1 ILE 60 1HG1 ILE 60 -13.375 -4.986 3.692 465 2HG1 ILE 60 2HG1 ILE 60 -11.940 -5.779 3.044 466 1HG2 ILE 60 1HG2 ILE 60 -15.385 -4.643 2.145 467 2HG2 ILE 60 2HG2 ILE 60 -14.303 -3.341 1.650 468 3HG2 ILE 60 3HG2 ILE 60 -15.013 -4.405 0.438 469 1HD1 ILE 60 1HD1 ILE 60 -12.651 -2.918 2.368 470 2HD1 ILE 60 2HD1 ILE 60 -11.641 -3.342 3.750 471 3HD1 ILE 60 3HD1 ILE 60 -11.111 -3.741 2.117 472 H LEU 61 H LEU 61 -13.193 -7.241 -0.821 473 HA LEU 61 HA LEU 61 -15.703 -6.711 -2.140 474 1HB LEU 61 1HB LEU 61 -13.190 -8.145 -3.038 475 2HB LEU 61 2HB LEU 61 -14.564 -7.855 -4.103 476 HG LEU 61 HG LEU 61 -13.069 -5.682 -2.610 477 1HD1 LEU 61 1HD1 LEU 61 -12.810 -6.723 -5.442 478 2HD1 LEU 61 2HD1 LEU 61 -12.186 -5.153 -4.936 479 3HD1 LEU 61 3HD1 LEU 61 -11.551 -6.632 -4.211 480 1HD2 LEU 61 1HD2 LEU 61 -15.389 -5.720 -4.530 481 2HD2 LEU 61 2HD2 LEU 61 -15.125 -4.706 -3.111 482 3HD2 LEU 61 3HD2 LEU 61 -14.262 -4.367 -4.606 483 H ALA 62 H ALA 62 -14.101 -9.688 -1.064 484 HA ALA 62 HA ALA 62 -16.044 -11.469 -2.232 485 1HB ALA 62 1HB ALA 62 -14.195 -11.923 0.129 486 2HB ALA 62 2HB ALA 62 -15.026 -13.179 -0.789 487 3HB ALA 62 3HB ALA 62 -13.776 -12.204 -1.562 488 H ALA 63 H ALA 63 -15.920 -9.672 0.775 489 HA ALA 63 HA ALA 63 -18.596 -10.816 1.513 490 1HB ALA 63 1HB ALA 63 -17.894 -10.561 3.905 491 2HB ALA 63 2HB ALA 63 -16.265 -10.181 3.347 492 3HB ALA 63 3HB ALA 63 -16.955 -11.774 3.033 493 H LEU 64 H LEU 64 -18.914 -8.686 0.111 494 HA LEU 64 HA LEU 64 -18.438 -6.177 1.426 495 1HB LEU 64 1HB LEU 64 -20.378 -7.000 -0.743 496 2HB LEU 64 2HB LEU 64 -20.196 -5.332 -0.208 497 HG LEU 64 HG LEU 64 -17.793 -6.936 -1.093 498 1HD1 LEU 64 1HD1 LEU 64 -19.643 -5.318 -2.870 499 2HD1 LEU 64 2HD1 LEU 64 -18.098 -6.012 -3.363 500 3HD1 LEU 64 3HD1 LEU 64 -19.440 -7.069 -2.920 501 1HD2 LEU 64 1HD2 LEU 64 -18.485 -3.981 -0.963 502 2HD2 LEU 64 2HD2 LEU 64 -17.264 -4.834 -0.021 503 3HD2 LEU 64 3HD2 LEU 64 -17.038 -4.603 -1.752 504 HA PRO 65 HA PRO 65 -21.600 -6.472 4.621 505 1HB PRO 65 1HB PRO 65 -22.324 -3.655 4.080 506 2HB PRO 65 2HB PRO 65 -21.677 -4.380 5.556 507 1HG PRO 65 1HG PRO 65 -20.248 -2.762 3.747 508 2HG PRO 65 2HG PRO 65 -19.546 -3.754 5.031 509 1HD PRO 65 1HD PRO 65 -19.369 -4.163 2.152 510 2HD PRO 65 2HD PRO 65 -18.593 -5.105 3.450 No H/Q in entry = 510 Start of MODEL 15 1 H1 MET 1 H1 MET 1 12.382 23.738 -15.408 2 H2 MET 1 H2 MET 1 12.079 24.481 -13.911 3 H3 MET 1 H3 MET 1 11.400 25.122 -15.325 4 HA MET 1 HA MET 1 13.144 26.431 -15.595 5 1HB MET 1 1HB MET 1 13.284 26.176 -13.074 6 2HB MET 1 2HB MET 1 14.501 24.928 -13.339 7 1HG MET 1 1HG MET 1 15.913 26.540 -14.548 8 2HG MET 1 2HG MET 1 14.690 27.791 -14.328 9 1HE MET 1 1HE MET 1 17.684 27.940 -13.658 10 2HE MET 1 2HE MET 1 16.682 29.326 -13.232 11 3HE MET 1 3HE MET 1 17.802 28.641 -12.046 12 H LYS 2 H LYS 2 15.326 26.476 -16.520 13 HA LYS 2 HA LYS 2 15.866 24.296 -18.264 14 1HB LYS 2 1HB LYS 2 17.609 26.589 -17.335 15 2HB LYS 2 2HB LYS 2 18.099 25.451 -18.591 16 1HG LYS 2 1HG LYS 2 16.008 26.026 -19.853 17 2HG LYS 2 2HG LYS 2 15.666 27.265 -18.647 18 1HD LYS 2 1HD LYS 2 18.310 27.222 -20.106 19 2HD LYS 2 2HD LYS 2 16.893 27.977 -20.829 20 1HE LYS 2 1HE LYS 2 18.111 28.693 -18.142 21 2HE LYS 2 2HE LYS 2 18.207 29.651 -19.618 22 1HZ LYS 2 1HZ LYS 2 15.528 29.086 -19.222 23 2HZ LYS 2 2HZ LYS 2 16.130 29.550 -17.706 24 3HZ LYS 2 3HZ LYS 2 16.306 30.587 -19.040 25 H ALA 3 H ALA 3 17.167 25.122 -15.077 26 HA ALA 3 HA ALA 3 19.370 23.521 -14.775 27 1HB ALA 3 1HB ALA 3 18.344 24.839 -12.942 28 2HB ALA 3 2HB ALA 3 18.737 23.198 -12.427 29 3HB ALA 3 3HB ALA 3 17.069 23.628 -12.803 30 H ILE 4 H ILE 4 19.674 21.314 -13.944 31 HA ILE 4 HA ILE 4 18.009 19.396 -15.407 32 HB ILE 4 HB ILE 4 20.397 18.992 -13.581 33 1HG1 ILE 4 1HG1 ILE 4 20.278 18.848 -16.601 34 2HG1 ILE 4 2HG1 ILE 4 20.690 20.335 -15.745 35 1HG2 ILE 4 1HG2 ILE 4 18.858 17.127 -15.403 36 2HG2 ILE 4 2HG2 ILE 4 20.495 16.779 -14.845 37 3HG2 ILE 4 3HG2 ILE 4 19.181 16.932 -13.680 38 1HD1 ILE 4 1HD1 ILE 4 22.127 17.714 -15.266 39 2HD1 ILE 4 2HD1 ILE 4 22.674 18.903 -16.447 40 3HD1 ILE 4 3HD1 ILE 4 22.616 19.324 -14.736 41 H PHE 5 H PHE 5 16.635 17.866 -14.486 42 HA PHE 5 HA PHE 5 15.368 18.478 -12.010 43 1HB PHE 5 1HB PHE 5 15.442 15.873 -13.566 44 2HB PHE 5 2HB PHE 5 14.342 16.210 -12.229 45 HD1 PHE 5 HD1 PHE 5 12.558 17.886 -12.446 46 HD2 PHE 5 HD2 PHE 5 15.174 16.963 -15.726 47 HE1 PHE 5 HE1 PHE 5 11.010 19.038 -14.005 48 HE2 PHE 5 HE2 PHE 5 13.626 18.116 -17.285 49 HZ PHE 5 HZ PHE 5 11.545 19.153 -16.424 50 H VAL 6 H VAL 6 15.670 17.649 -9.932 51 HA VAL 6 HA VAL 6 18.323 16.794 -9.250 52 HB VAL 6 HB VAL 6 16.534 18.075 -7.855 53 1HG1 VAL 6 1HG1 VAL 6 15.014 15.862 -8.085 54 2HG1 VAL 6 2HG1 VAL 6 15.860 15.443 -6.596 55 3HG1 VAL 6 3HG1 VAL 6 14.915 16.927 -6.686 56 1HG2 VAL 6 1HG2 VAL 6 18.476 16.009 -6.830 57 2HG2 VAL 6 2HG2 VAL 6 18.622 17.765 -6.838 58 3HG2 VAL 6 3HG2 VAL 6 17.527 16.978 -5.702 59 H LEU 7 H LEU 7 17.375 14.729 -7.232 60 HA LEU 7 HA LEU 7 17.991 12.399 -8.726 61 1HB LEU 7 1HB LEU 7 17.942 12.902 -6.122 62 2HB LEU 7 2HB LEU 7 16.308 12.273 -6.223 63 HG LEU 7 HG LEU 7 17.604 10.400 -5.636 64 1HD1 LEU 7 1HD1 LEU 7 16.150 10.050 -7.693 65 2HD1 LEU 7 2HD1 LEU 7 17.635 10.139 -8.642 66 3HD1 LEU 7 3HD1 LEU 7 17.434 8.874 -7.438 67 1HD2 LEU 7 1HD2 LEU 7 19.806 11.498 -6.057 68 2HD2 LEU 7 2HD2 LEU 7 19.752 9.821 -6.595 69 3HD2 LEU 7 3HD2 LEU 7 19.632 11.125 -7.770 70 H ASN 8 H ASN 8 16.695 10.980 -9.882 71 HA ASN 8 HA ASN 8 13.725 11.425 -9.839 72 1HB ASN 8 1HB ASN 8 15.496 10.876 -12.241 73 2HB ASN 8 2HB ASN 8 13.733 10.944 -12.274 74 2HD2 ASN 8 2HD2 ASN 8 13.842 13.198 -10.178 75 1HD2 ASN 8 1HD2 ASN 8 14.254 14.576 -11.078 76 H ALA 9 H ALA 9 12.473 9.522 -10.347 77 HA ALA 9 HA ALA 9 13.783 7.029 -9.457 78 1HB ALA 9 1HB ALA 9 11.473 7.831 -8.680 79 2HB ALA 9 2HB ALA 9 11.578 6.154 -9.212 80 3HB ALA 9 3HB ALA 9 10.893 7.377 -10.282 81 H GLN 10 H GLN 10 13.942 8.456 -12.267 82 HA GLN 10 HA GLN 10 12.790 6.719 -14.199 83 1HB GLN 10 1HB GLN 10 15.293 8.425 -14.288 84 2HB GLN 10 2HB GLN 10 14.651 7.579 -15.694 85 1HG GLN 10 1HG GLN 10 13.045 9.540 -14.033 86 2HG GLN 10 2HG GLN 10 13.901 9.979 -15.510 87 2HE2 GLN 10 2HE2 GLN 10 13.290 7.332 -16.814 88 1HE2 GLN 10 1HE2 GLN 10 11.647 7.404 -17.229 89 H HIS 11 H HIS 11 15.909 6.570 -12.501 90 HA HIS 11 HA HIS 11 17.167 4.512 -13.902 91 1HB HIS 11 1HB HIS 11 18.209 5.661 -11.996 92 2HB HIS 11 2HB HIS 11 17.066 4.893 -10.894 93 HD1 HIS 11 HD1 HIS 11 19.616 3.785 -13.519 94 HD2 HIS 11 HD2 HIS 11 18.038 2.527 -9.871 95 HE1 HIS 11 HE1 HIS 11 20.863 1.672 -12.889 96 H ASP 12 H ASP 12 15.288 3.873 -10.912 97 HA ASP 12 HA ASP 12 13.858 1.668 -12.202 98 1HB ASP 12 1HB ASP 12 16.018 1.143 -10.146 99 2HB ASP 12 2HB ASP 12 14.758 -0.025 -10.540 100 H GLU 13 H GLU 13 12.583 0.433 -10.383 101 HA GLU 13 HA GLU 13 11.260 2.491 -8.751 102 1HB GLU 13 1HB GLU 13 10.740 -0.470 -9.155 103 2HB GLU 13 2HB GLU 13 9.757 0.563 -8.117 104 1HG GLU 13 1HG GLU 13 9.254 2.024 -10.040 105 2HG GLU 13 2HG GLU 13 10.234 0.991 -11.081 106 H ALA 14 H ALA 14 14.054 1.612 -8.155 107 HA ALA 14 HA ALA 14 14.297 -0.114 -5.978 108 1HB ALA 14 1HB ALA 14 15.734 2.524 -6.382 109 2HB ALA 14 2HB ALA 14 16.264 1.227 -5.311 110 3HB ALA 14 3HB ALA 14 16.227 0.969 -7.055 111 H VAL 15 H VAL 15 12.593 2.853 -6.097 112 HA VAL 15 HA VAL 15 12.685 3.258 -3.163 113 HB VAL 15 HB VAL 15 11.051 4.720 -5.261 114 1HG1 VAL 15 1HG1 VAL 15 11.819 5.355 -2.397 115 2HG1 VAL 15 2HG1 VAL 15 11.056 6.505 -3.495 116 3HG1 VAL 15 3HG1 VAL 15 10.197 5.043 -3.012 117 1HG2 VAL 15 1HG2 VAL 15 13.790 5.321 -4.097 118 2HG2 VAL 15 2HG2 VAL 15 13.427 4.935 -5.779 119 3HG2 VAL 15 3HG2 VAL 15 12.854 6.449 -5.078 120 H ASP 16 H ASP 16 11.471 1.748 -2.081 121 HA ASP 16 HA ASP 16 8.974 0.706 -3.228 122 1HB ASP 16 1HB ASP 16 10.613 -0.663 -1.847 123 2HB ASP 16 2HB ASP 16 10.058 0.245 -0.440 124 H ALA 17 H ALA 17 9.937 3.178 -0.962 125 HA ALA 17 HA ALA 17 7.542 3.419 0.553 126 1HB ALA 17 1HB ALA 17 9.754 4.629 0.939 127 2HB ALA 17 2HB ALA 17 8.306 5.616 1.132 128 3HB ALA 17 3HB ALA 17 9.266 5.741 -0.341 129 H ASN 18 H ASN 18 8.464 4.947 -2.540 130 HA ASN 18 HA ASN 18 6.110 6.512 -2.850 131 1HB ASN 18 1HB ASN 18 8.105 6.791 -4.275 132 2HB ASN 18 2HB ASN 18 7.809 5.210 -5.000 133 2HD2 ASN 18 2HD2 ASN 18 6.272 8.430 -4.562 134 1HD2 ASN 18 1HD2 ASN 18 5.342 8.347 -5.980 135 H SER 19 H SER 19 6.814 3.156 -3.819 136 HA SER 19 HA SER 19 4.307 2.726 -5.156 137 1HB SER 19 1HB SER 19 4.885 0.374 -5.073 138 2HB SER 19 2HB SER 19 6.348 1.292 -5.411 139 HG SER 19 HG SER 19 6.001 1.119 -2.770 140 H LEU 20 H LEU 20 5.373 2.149 -1.801 141 HA LEU 20 HA LEU 20 3.000 0.834 -0.930 142 1HB LEU 20 1HB LEU 20 5.053 2.523 0.510 143 2HB LEU 20 2HB LEU 20 3.686 1.813 1.363 144 HG LEU 20 HG LEU 20 5.370 0.035 -0.397 145 1HD1 LEU 20 1HD1 LEU 20 6.119 1.058 2.351 146 2HD1 LEU 20 2HD1 LEU 20 6.751 -0.453 1.696 147 3HD1 LEU 20 3HD1 LEU 20 7.099 1.074 0.885 148 1HD2 LEU 20 1HD2 LEU 20 3.224 -0.700 0.779 149 2HD2 LEU 20 2HD2 LEU 20 4.648 -1.675 1.137 150 3HD2 LEU 20 3HD2 LEU 20 4.083 -0.478 2.301 151 H ALA 21 H ALA 21 3.873 4.296 -0.868 152 HA ALA 21 HA ALA 21 1.447 5.198 0.283 153 1HB ALA 21 1HB ALA 21 3.629 6.509 -0.139 154 2HB ALA 21 2HB ALA 21 3.003 6.778 -1.766 155 3HB ALA 21 3HB ALA 21 2.113 7.378 -0.366 156 H GLU 22 H GLU 22 2.360 4.948 -3.173 157 HA GLU 22 HA GLU 22 -0.146 5.874 -4.173 158 1HB GLU 22 1HB GLU 22 1.991 5.612 -5.494 159 2HB GLU 22 2HB GLU 22 1.684 3.874 -5.518 160 1HG GLU 22 1HG GLU 22 -0.469 4.250 -6.632 161 2HG GLU 22 2HG GLU 22 -0.203 5.994 -6.585 162 H ALA 23 H ALA 23 0.984 2.587 -3.390 163 HA ALA 23 HA ALA 23 -1.295 1.197 -4.380 164 1HB ALA 23 1HB ALA 23 -0.651 -0.584 -2.759 165 2HB ALA 23 2HB ALA 23 0.729 0.006 -3.686 166 3HB ALA 23 3HB ALA 23 0.495 0.536 -2.019 167 H LYS 24 H LYS 24 -0.647 2.666 -1.198 168 HA LYS 24 HA LYS 24 -3.173 1.850 -0.053 169 1HB LYS 24 1HB LYS 24 -1.251 4.082 0.673 170 2HB LYS 24 2HB LYS 24 -2.637 3.608 1.655 171 1HG LYS 24 1HG LYS 24 -1.720 1.323 1.860 172 2HG LYS 24 2HG LYS 24 -0.329 1.794 0.882 173 1HD LYS 24 1HD LYS 24 0.171 3.587 2.576 174 2HD LYS 24 2HD LYS 24 -1.110 2.917 3.586 175 1HE LYS 24 1HE LYS 24 0.086 0.712 3.536 176 2HE LYS 24 2HE LYS 24 1.407 1.495 2.672 177 1HZ LYS 24 1HZ LYS 24 0.420 2.588 5.227 178 2HZ LYS 24 2HZ LYS 24 1.546 1.320 5.209 179 3HZ LYS 24 3HZ LYS 24 1.932 2.807 4.485 180 H VAL 25 H VAL 25 -2.035 4.779 -1.721 181 HA VAL 25 HA VAL 25 -4.432 6.299 -1.338 182 HB VAL 25 HB VAL 25 -2.266 6.439 -3.442 183 1HG1 VAL 25 1HG1 VAL 25 -4.688 8.189 -2.995 184 2HG1 VAL 25 2HG1 VAL 25 -3.244 8.779 -3.817 185 3HG1 VAL 25 3HG1 VAL 25 -4.157 7.431 -4.496 186 1HG2 VAL 25 1HG2 VAL 25 -1.772 6.973 -0.999 187 2HG2 VAL 25 2HG2 VAL 25 -1.436 8.276 -2.140 188 3HG2 VAL 25 3HG2 VAL 25 -2.900 8.319 -1.156 189 H LEU 26 H LEU 26 -3.351 4.198 -4.016 190 HA LEU 26 HA LEU 26 -5.683 4.593 -5.634 191 1HB LEU 26 1HB LEU 26 -3.701 2.307 -5.475 192 2HB LEU 26 2HB LEU 26 -4.977 2.394 -6.688 193 HG LEU 26 HG LEU 26 -2.844 4.508 -6.259 194 1HD1 LEU 26 1HD1 LEU 26 -3.116 2.373 -8.398 195 2HD1 LEU 26 2HD1 LEU 26 -1.900 3.649 -8.383 196 3HD1 LEU 26 3HD1 LEU 26 -1.895 2.412 -7.126 197 1HD2 LEU 26 1HD2 LEU 26 -5.252 4.288 -8.040 198 2HD2 LEU 26 2HD2 LEU 26 -4.520 5.715 -7.307 199 3HD2 LEU 26 3HD2 LEU 26 -3.795 4.991 -8.740 200 H ALA 27 H ALA 27 -4.924 2.203 -3.112 201 HA ALA 27 HA ALA 27 -7.328 0.664 -3.487 202 1HB ALA 27 1HB ALA 27 -5.370 -0.212 -2.258 203 2HB ALA 27 2HB ALA 27 -5.626 0.993 -0.997 204 3HB ALA 27 3HB ALA 27 -6.824 -0.273 -1.263 205 H ASN 28 H ASN 28 -6.503 3.425 -1.423 206 HA ASN 28 HA ASN 28 -8.900 3.500 0.106 207 1HB ASN 28 1HB ASN 28 -6.838 4.872 0.545 208 2HB ASN 28 2HB ASN 28 -7.280 5.884 -0.831 209 2HD2 ASN 28 2HD2 ASN 28 -7.245 6.387 2.236 210 1HD2 ASN 28 1HD2 ASN 28 -8.779 7.046 2.546 211 H ARG 29 H ARG 29 -8.117 4.838 -3.080 212 HA ARG 29 HA ARG 29 -10.478 6.371 -3.460 213 1HB ARG 29 1HB ARG 29 -8.705 4.910 -5.433 214 2HB ARG 29 2HB ARG 29 -10.011 5.976 -5.928 215 1HG ARG 29 1HG ARG 29 -7.863 6.909 -4.019 216 2HG ARG 29 2HG ARG 29 -7.616 6.975 -5.755 217 1HD ARG 29 1HD ARG 29 -9.721 8.417 -4.131 218 2HD ARG 29 2HD ARG 29 -8.441 9.134 -5.092 219 HE ARG 29 HE ARG 29 -11.062 8.413 -6.008 220 1HH1 ARG 29 1HH1 ARG 29 -11.556 8.037 -8.159 221 2HH1 ARG 29 2HH1 ARG 29 -10.277 7.815 -9.306 222 1HH2 ARG 29 1HH2 ARG 29 -7.751 8.212 -6.975 223 2HH2 ARG 29 2HH2 ARG 29 -8.130 7.905 -8.634 224 H GLU 30 H GLU 30 -9.847 2.921 -4.073 225 HA GLU 30 HA GLU 30 -12.298 2.342 -5.400 226 1HB GLU 30 1HB GLU 30 -10.459 0.678 -3.676 227 2HB GLU 30 2HB GLU 30 -11.920 -0.003 -4.392 228 1HG GLU 30 1HG GLU 30 -11.150 0.639 -6.626 229 2HG GLU 30 2HG GLU 30 -9.693 1.357 -5.932 230 H LEU 31 H LEU 31 -11.495 2.458 -1.953 231 HA LEU 31 HA LEU 31 -14.054 1.515 -1.017 232 1HB LEU 31 1HB LEU 31 -12.199 3.441 0.413 233 2HB LEU 31 2HB LEU 31 -13.329 2.294 1.140 234 HG LEU 31 HG LEU 31 -10.874 1.609 -0.487 235 1HD1 LEU 31 1HD1 LEU 31 -11.535 1.496 2.456 236 2HD1 LEU 31 2HD1 LEU 31 -10.275 0.479 1.759 237 3HD1 LEU 31 3HD1 LEU 31 -10.140 2.235 1.671 238 1HD2 LEU 31 1HD2 LEU 31 -13.157 -0.046 0.596 239 2HD2 LEU 31 2HD2 LEU 31 -12.380 -0.127 -0.984 240 3HD2 LEU 31 3HD2 LEU 31 -11.553 -0.761 0.435 241 H ASP 32 H ASP 32 -12.674 4.702 -1.627 242 HA ASP 32 HA ASP 32 -14.833 6.289 -0.708 243 1HB ASP 32 1HB ASP 32 -12.597 7.160 -1.243 244 2HB ASP 32 2HB ASP 32 -12.865 6.810 -2.949 245 H LYS 33 H LYS 33 -14.217 4.894 -3.954 246 HA LYS 33 HA LYS 33 -16.515 6.115 -5.178 247 1HB LYS 33 1HB LYS 33 -14.945 3.619 -5.883 248 2HB LYS 33 2HB LYS 33 -16.242 4.267 -6.889 249 1HG LYS 33 1HG LYS 33 -15.010 6.459 -6.947 250 2HG LYS 33 2HG LYS 33 -13.669 5.670 -6.119 251 1HD LYS 33 1HD LYS 33 -14.826 4.690 -8.746 252 2HD LYS 33 2HD LYS 33 -13.431 5.762 -8.636 253 1HE LYS 33 1HE LYS 33 -12.423 3.963 -7.066 254 2HE LYS 33 2HE LYS 33 -13.672 2.900 -7.713 255 1HZ LYS 33 1HZ LYS 33 -12.468 4.267 -9.840 256 2HZ LYS 33 2HZ LYS 33 -11.235 3.612 -8.876 257 3HZ LYS 33 3HZ LYS 33 -12.444 2.601 -9.509 258 H TYR 34 H TYR 34 -16.029 3.001 -3.535 259 HA TYR 34 HA TYR 34 -18.713 2.040 -4.049 260 1HB TYR 34 1HB TYR 34 -16.982 1.233 -1.708 261 2HB TYR 34 2HB TYR 34 -18.202 0.274 -2.534 262 HD1 TYR 34 HD1 TYR 34 -15.299 -0.504 -1.962 263 HD2 TYR 34 HD2 TYR 34 -17.142 1.246 -5.434 264 HE1 TYR 34 HE1 TYR 34 -13.542 -1.482 -3.400 265 HE2 TYR 34 HE2 TYR 34 -15.385 0.268 -6.856 266 HH TYR 34 HH TYR 34 -13.253 -2.135 -5.757 267 H GLY 35 H GLY 35 -17.194 3.858 -1.415 268 1HA GLY 35 1HA GLY 35 -19.903 4.695 -0.526 269 2HA GLY 35 2HA GLY 35 -18.382 5.460 -0.069 270 H VAL 36 H VAL 36 -17.063 2.946 0.642 271 HA VAL 36 HA VAL 36 -18.668 1.647 2.692 272 HB VAL 36 HB VAL 36 -15.658 1.524 2.740 273 1HG1 VAL 36 1HG1 VAL 36 -17.888 -0.527 2.957 274 2HG1 VAL 36 2HG1 VAL 36 -16.169 -0.912 3.029 275 3HG1 VAL 36 3HG1 VAL 36 -16.898 0.097 4.276 276 1HG2 VAL 36 1HG2 VAL 36 -17.425 0.511 0.505 277 2HG2 VAL 36 2HG2 VAL 36 -15.969 1.497 0.380 278 3HG2 VAL 36 3HG2 VAL 36 -15.847 -0.198 0.851 279 H SER 37 H SER 37 -17.466 1.592 5.026 280 HA SER 37 HA SER 37 -17.772 4.255 6.090 281 1HB SER 37 1HB SER 37 -18.291 2.249 7.423 282 2HB SER 37 2HB SER 37 -16.597 1.770 7.372 283 HG SER 37 HG SER 37 -17.763 4.047 8.595 284 H ASP 38 H ASP 38 -16.155 5.602 7.018 285 HA ASP 38 HA ASP 38 -13.692 5.761 5.568 286 1HB ASP 38 1HB ASP 38 -14.904 7.664 6.753 287 2HB ASP 38 2HB ASP 38 -14.242 7.028 8.260 288 H TYR 39 H TYR 39 -14.612 3.914 8.324 289 HA TYR 39 HA TYR 39 -12.132 3.709 9.696 290 1HB TYR 39 1HB TYR 39 -14.162 2.804 10.679 291 2HB TYR 39 2HB TYR 39 -14.347 1.667 9.343 292 HD1 TYR 39 HD1 TYR 39 -12.905 -0.273 9.119 293 HD2 TYR 39 HD2 TYR 39 -12.417 2.475 12.382 294 HE1 TYR 39 HE1 TYR 39 -11.445 -1.904 10.268 295 HE2 TYR 39 HE2 TYR 39 -10.954 0.838 13.540 296 HH TYR 39 HH TYR 39 -10.192 -2.317 12.051 297 H TYR 40 H TYR 40 -13.426 1.718 7.010 298 HA TYR 40 HA TYR 40 -11.218 -0.062 6.858 299 1HB TYR 40 1HB TYR 40 -13.076 0.940 4.683 300 2HB TYR 40 2HB TYR 40 -11.921 -0.374 4.461 301 HD1 TYR 40 HD1 TYR 40 -15.092 0.637 5.969 302 HD2 TYR 40 HD2 TYR 40 -12.159 -2.490 5.737 303 HE1 TYR 40 HE1 TYR 40 -16.711 -0.955 6.965 304 HE2 TYR 40 HE2 TYR 40 -13.778 -4.084 6.730 305 HH TYR 40 HH TYR 40 -16.665 -3.079 8.216 306 H LYS 41 H LYS 41 -11.718 3.129 5.334 307 HA LYS 41 HA LYS 41 -9.354 3.101 3.717 308 1HB LYS 41 1HB LYS 41 -10.720 5.448 5.079 309 2HB LYS 41 2HB LYS 41 -9.584 5.557 3.732 310 1HG LYS 41 1HG LYS 41 -11.094 4.300 2.297 311 2HG LYS 41 2HG LYS 41 -12.205 4.049 3.644 312 1HD LYS 41 1HD LYS 41 -12.161 6.712 3.758 313 2HD LYS 41 2HD LYS 41 -11.655 6.557 2.073 314 1HE LYS 41 1HE LYS 41 -13.638 5.147 1.625 315 2HE LYS 41 2HE LYS 41 -14.139 5.344 3.305 316 1HZ LYS 41 1HZ LYS 41 -13.971 7.837 2.784 317 2HZ LYS 41 2HZ LYS 41 -14.036 7.361 1.155 318 3HZ LYS 41 3HZ LYS 41 -15.317 6.984 2.204 319 H ASN 42 H ASN 42 -10.055 4.192 6.993 320 HA ASN 42 HA ASN 42 -7.450 5.148 7.619 321 1HB ASN 42 1HB ASN 42 -9.617 3.970 9.379 322 2HB ASN 42 2HB ASN 42 -8.137 4.685 10.018 323 2HD2 ASN 42 2HD2 ASN 42 -8.661 6.438 7.284 324 1HD2 ASN 42 1HD2 ASN 42 -9.614 7.694 7.911 325 H LEU 43 H LEU 43 -8.909 1.932 7.836 326 HA LEU 43 HA LEU 43 -6.747 0.632 9.141 327 1HB LEU 43 1HB LEU 43 -8.954 -0.434 8.835 328 2HB LEU 43 2HB LEU 43 -8.682 -0.503 7.095 329 HG LEU 43 HG LEU 43 -6.730 -1.970 7.445 330 1HD1 LEU 43 1HD1 LEU 43 -7.362 -1.417 10.339 331 2HD1 LEU 43 2HD1 LEU 43 -6.616 -2.952 9.893 332 3HD1 LEU 43 3HD1 LEU 43 -5.797 -1.437 9.526 333 1HD2 LEU 43 1HD2 LEU 43 -9.154 -2.830 7.310 334 2HD2 LEU 43 2HD2 LEU 43 -7.957 -3.943 7.972 335 3HD2 LEU 43 3HD2 LEU 43 -9.042 -3.070 9.053 336 H ILE 44 H ILE 44 -7.335 1.326 5.695 337 HA ILE 44 HA ILE 44 -5.121 -0.148 4.652 338 HB ILE 44 HB ILE 44 -6.229 2.502 3.648 339 1HG1 ILE 44 1HG1 ILE 44 -8.040 0.908 3.684 340 2HG1 ILE 44 2HG1 ILE 44 -7.487 1.038 2.023 341 1HG2 ILE 44 1HG2 ILE 44 -4.499 0.373 2.379 342 2HG2 ILE 44 2HG2 ILE 44 -5.330 1.620 1.449 343 3HG2 ILE 44 3HG2 ILE 44 -4.106 2.072 2.634 344 1HD1 ILE 44 1HD1 ILE 44 -5.958 -0.995 2.638 345 2HD1 ILE 44 2HD1 ILE 44 -7.091 -1.211 3.972 346 3HD1 ILE 44 3HD1 ILE 44 -7.667 -1.275 2.309 347 H ASN 45 H ASN 45 -5.374 3.131 5.979 348 HA ASN 45 HA ASN 45 -2.781 4.065 5.389 349 1HB ASN 45 1HB ASN 45 -4.669 5.365 6.485 350 2HB ASN 45 2HB ASN 45 -4.242 4.562 7.996 351 2HD2 ASN 45 2HD2 ASN 45 -3.722 6.885 8.708 352 1HD2 ASN 45 1HD2 ASN 45 -2.186 7.502 8.334 353 H ASN 46 H ASN 46 -3.855 1.775 7.848 354 HA ASN 46 HA ASN 46 -1.163 1.726 9.089 355 1HB ASN 46 1HB ASN 46 -3.265 1.607 10.471 356 2HB ASN 46 2HB ASN 46 -3.571 0.019 9.763 357 2HD2 ASN 46 2HD2 ASN 46 -3.064 -1.427 11.450 358 1HD2 ASN 46 1HD2 ASN 46 -1.591 -1.429 12.294 359 H ALA 47 H ALA 47 -2.424 0.359 6.359 360 HA ALA 47 HA ALA 47 -1.807 -2.402 6.585 361 1HB ALA 47 1HB ALA 47 -2.909 -1.782 4.595 362 2HB ALA 47 2HB ALA 47 -1.773 -0.477 4.265 363 3HB ALA 47 3HB ALA 47 -1.274 -2.154 4.047 364 H LYS 48 H LYS 48 0.095 -3.299 7.146 365 HA LYS 48 HA LYS 48 2.548 -1.803 7.255 366 1HB LYS 48 1HB LYS 48 1.945 -3.749 8.734 367 2HB LYS 48 2HB LYS 48 2.256 -4.813 7.363 368 1HG LYS 48 1HG LYS 48 4.558 -3.954 7.201 369 2HG LYS 48 2HG LYS 48 4.260 -2.872 8.558 370 1HD LYS 48 1HD LYS 48 3.935 -5.878 8.761 371 2HD LYS 48 2HD LYS 48 5.455 -5.064 9.118 372 1HE LYS 48 1HE LYS 48 4.052 -3.590 10.734 373 2HE LYS 48 2HE LYS 48 2.820 -4.840 10.575 374 1HZ LYS 48 1HZ LYS 48 4.544 -6.474 11.216 375 2HZ LYS 48 2HZ LYS 48 5.604 -5.185 11.534 376 3HZ LYS 48 3HZ LYS 48 4.177 -5.357 12.438 377 H THR 49 H THR 49 1.330 -4.240 4.938 378 HA THR 49 HA THR 49 3.504 -3.379 3.067 379 HB THR 49 HB THR 49 4.175 -5.493 4.215 380 HG1 THR 49 HG1 THR 49 3.766 -6.537 1.788 381 1HG2 THR 49 1HG2 THR 49 1.791 -6.302 4.475 382 2HG2 THR 49 2HG2 THR 49 1.823 -6.716 2.762 383 3HG2 THR 49 3HG2 THR 49 2.924 -7.516 3.879 384 H VAL 50 H VAL 50 3.068 -3.979 0.818 385 HA VAL 50 HA VAL 50 0.443 -3.279 -0.030 386 HB VAL 50 HB VAL 50 2.683 -4.664 -1.516 387 1HG1 VAL 50 1HG1 VAL 50 0.067 -3.485 -2.466 388 2HG1 VAL 50 2HG1 VAL 50 1.444 -3.719 -3.542 389 3HG1 VAL 50 3HG1 VAL 50 0.692 -5.108 -2.758 390 1HG2 VAL 50 1HG2 VAL 50 1.801 -1.778 -1.265 391 2HG2 VAL 50 2HG2 VAL 50 3.343 -2.470 -0.761 392 3HG2 VAL 50 3HG2 VAL 50 2.955 -2.337 -2.476 393 H GLU 51 H GLU 51 2.014 -6.469 0.296 394 HA GLU 51 HA GLU 51 0.069 -8.055 -0.968 395 1HB GLU 51 1HB GLU 51 2.196 -8.945 -0.018 396 2HB GLU 51 2HB GLU 51 1.542 -8.722 1.604 397 1HG GLU 51 1HG GLU 51 -0.305 -10.273 1.082 398 2HG GLU 51 2HG GLU 51 0.346 -10.499 -0.542 399 H GLY 52 H GLY 52 0.075 -6.683 2.292 400 1HA GLY 52 1HA GLY 52 -1.648 -6.552 3.889 401 2HA GLY 52 2HA GLY 52 -2.437 -7.898 3.067 402 H VAL 53 H VAL 53 -1.487 -4.887 1.457 403 HA VAL 53 HA VAL 53 -3.994 -3.531 1.707 404 HB VAL 53 HB VAL 53 -1.855 -3.370 -0.430 405 1HG1 VAL 53 1HG1 VAL 53 -4.367 -1.752 0.012 406 2HG1 VAL 53 2HG1 VAL 53 -2.976 -1.093 -0.849 407 3HG1 VAL 53 3HG1 VAL 53 -3.809 -2.515 -1.477 408 1HG2 VAL 53 1HG2 VAL 53 -2.526 -1.694 2.007 409 2HG2 VAL 53 2HG2 VAL 53 -1.080 -2.676 1.767 410 3HG2 VAL 53 3HG2 VAL 53 -1.340 -1.232 0.788 411 H LYS 54 H LYS 54 -2.760 -5.593 -0.982 412 HA LYS 54 HA LYS 54 -5.246 -5.433 -2.442 413 1HB LYS 54 1HB LYS 54 -4.323 -7.262 -3.814 414 2HB LYS 54 2HB LYS 54 -3.133 -5.985 -3.565 415 1HG LYS 54 1HG LYS 54 -2.242 -7.337 -1.615 416 2HG LYS 54 2HG LYS 54 -3.291 -8.654 -2.144 417 1HD LYS 54 1HD LYS 54 -1.152 -7.328 -3.841 418 2HD LYS 54 2HD LYS 54 -1.002 -8.901 -3.058 419 1HE LYS 54 1HE LYS 54 -1.670 -9.503 -5.219 420 2HE LYS 54 2HE LYS 54 -3.215 -9.461 -4.371 421 1HZ LYS 54 1HZ LYS 54 -2.848 -6.891 -5.173 422 2HZ LYS 54 2HZ LYS 54 -2.242 -7.785 -6.484 423 3HZ LYS 54 3HZ LYS 54 -3.832 -8.038 -5.949 424 H ALA 55 H ALA 55 -3.941 -7.836 -0.162 425 HA ALA 55 HA ALA 55 -6.095 -9.719 -0.515 426 1HB ALA 55 1HB ALA 55 -5.303 -10.546 1.777 427 2HB ALA 55 2HB ALA 55 -4.091 -9.266 1.702 428 3HB ALA 55 3HB ALA 55 -4.098 -10.547 0.490 429 H LEU 56 H LEU 56 -5.620 -6.964 1.626 430 HA LEU 56 HA LEU 56 -7.932 -7.479 3.252 431 1HB LEU 56 1HB LEU 56 -6.137 -6.068 4.043 432 2HB LEU 56 2HB LEU 56 -6.391 -4.935 2.719 433 HG LEU 56 HG LEU 56 -8.631 -4.406 3.581 434 1HD1 LEU 56 1HD1 LEU 56 -7.955 -6.615 5.521 435 2HD1 LEU 56 2HD1 LEU 56 -9.060 -5.328 6.008 436 3HD1 LEU 56 3HD1 LEU 56 -9.447 -6.342 4.622 437 1HD2 LEU 56 1HD2 LEU 56 -6.398 -3.365 4.496 438 2HD2 LEU 56 2HD2 LEU 56 -7.902 -3.040 5.352 439 3HD2 LEU 56 3HD2 LEU 56 -6.786 -4.258 5.966 440 H ILE 57 H ILE 57 -7.369 -5.560 0.312 441 HA ILE 57 HA ILE 57 -10.097 -4.552 0.187 442 HB ILE 57 HB ILE 57 -7.963 -4.871 -1.935 443 1HG1 ILE 57 1HG1 ILE 57 -7.402 -3.277 -0.125 444 2HG1 ILE 57 2HG1 ILE 57 -7.658 -2.438 -1.647 445 1HG2 ILE 57 1HG2 ILE 57 -10.679 -3.560 -2.040 446 2HG2 ILE 57 2HG2 ILE 57 -9.390 -3.171 -3.180 447 3HG2 ILE 57 3HG2 ILE 57 -10.032 -4.811 -3.101 448 1HD1 ILE 57 1HD1 ILE 57 -10.184 -2.334 -0.614 449 2HD1 ILE 57 2HD1 ILE 57 -9.234 -2.351 0.868 450 3HD1 ILE 57 3HD1 ILE 57 -8.968 -1.094 -0.336 451 H ASP 58 H ASP 58 -8.313 -7.292 -1.181 452 HA ASP 58 HA ASP 58 -10.435 -8.267 -2.852 453 1HB ASP 58 1HB ASP 58 -8.067 -8.971 -3.090 454 2HB ASP 58 2HB ASP 58 -8.188 -9.835 -1.557 455 H GLU 59 H GLU 59 -9.543 -9.026 0.527 456 HA GLU 59 HA GLU 59 -11.580 -11.061 0.766 457 1HB GLU 59 1HB GLU 59 -10.978 -11.216 3.043 458 2HB GLU 59 2HB GLU 59 -9.482 -10.712 2.265 459 1HG GLU 59 1HG GLU 59 -9.968 -8.382 2.875 460 2HG GLU 59 2HG GLU 59 -11.428 -8.889 3.709 461 H ILE 60 H ILE 60 -11.425 -7.595 1.413 462 HA ILE 60 HA ILE 60 -14.050 -7.459 2.590 463 HB ILE 60 HB ILE 60 -12.299 -5.357 1.290 464 1HG1 ILE 60 1HG1 ILE 60 -13.041 -5.760 4.198 465 2HG1 ILE 60 2HG1 ILE 60 -11.611 -6.496 3.472 466 1HG2 ILE 60 1HG2 ILE 60 -14.993 -5.151 2.651 467 2HG2 ILE 60 2HG2 ILE 60 -13.887 -3.780 2.556 468 3HG2 ILE 60 3HG2 ILE 60 -14.517 -4.508 1.079 469 1HD1 ILE 60 1HD1 ILE 60 -10.872 -4.206 2.754 470 2HD1 ILE 60 2HD1 ILE 60 -12.235 -3.534 3.649 471 3HD1 ILE 60 3HD1 ILE 60 -10.956 -4.396 4.506 472 H LEU 61 H LEU 61 -12.787 -7.029 -0.706 473 HA LEU 61 HA LEU 61 -15.330 -6.315 -1.859 474 1HB LEU 61 1HB LEU 61 -12.717 -7.331 -2.980 475 2HB LEU 61 2HB LEU 61 -14.133 -7.196 -4.025 476 HG LEU 61 HG LEU 61 -12.956 -4.927 -2.385 477 1HD1 LEU 61 1HD1 LEU 61 -11.626 -5.878 -4.424 478 2HD1 LEU 61 2HD1 LEU 61 -12.902 -5.147 -5.396 479 3HD1 LEU 61 3HD1 LEU 61 -11.909 -4.140 -4.344 480 1HD2 LEU 61 1HD2 LEU 61 -15.408 -5.221 -4.080 481 2HD2 LEU 61 2HD2 LEU 61 -15.116 -4.168 -2.695 482 3HD2 LEU 61 3HD2 LEU 61 -14.497 -3.725 -4.281 483 H ALA 62 H ALA 62 -13.634 -9.389 -1.386 484 HA ALA 62 HA ALA 62 -15.594 -10.981 -2.787 485 1HB ALA 62 1HB ALA 62 -13.697 -11.832 -0.578 486 2HB ALA 62 2HB ALA 62 -13.264 -11.743 -2.286 487 3HB ALA 62 3HB ALA 62 -14.490 -12.890 -1.744 488 H ALA 63 H ALA 63 -15.286 -9.791 0.506 489 HA ALA 63 HA ALA 63 -17.175 -11.492 1.778 490 1HB ALA 63 1HB ALA 63 -17.372 -9.715 3.459 491 2HB ALA 63 2HB ALA 63 -15.685 -9.926 2.994 492 3HB ALA 63 3HB ALA 63 -16.612 -8.569 2.357 493 H LEU 64 H LEU 64 -17.640 -8.469 -0.049 494 HA LEU 64 HA LEU 64 -20.436 -8.234 0.510 495 1HB LEU 64 1HB LEU 64 -18.860 -7.275 -1.898 496 2HB LEU 64 2HB LEU 64 -20.468 -6.713 -1.457 497 HG LEU 64 HG LEU 64 -18.155 -6.533 0.483 498 1HD1 LEU 64 1HD1 LEU 64 -17.486 -5.363 -1.582 499 2HD1 LEU 64 2HD1 LEU 64 -18.998 -4.455 -1.559 500 3HD1 LEU 64 3HD1 LEU 64 -17.806 -4.215 -0.282 501 1HD2 LEU 64 1HD2 LEU 64 -20.842 -5.154 0.192 502 2HD2 LEU 64 2HD2 LEU 64 -20.280 -6.156 1.529 503 3HD2 LEU 64 3HD2 LEU 64 -19.581 -4.562 1.269 504 HA PRO 65 HA PRO 65 -22.027 -11.542 -2.039 505 1HB PRO 65 1HB PRO 65 -24.366 -10.237 -2.975 506 2HB PRO 65 2HB PRO 65 -24.219 -11.198 -1.500 507 1HG PRO 65 1HG PRO 65 -24.344 -8.258 -1.808 508 2HG PRO 65 2HG PRO 65 -24.728 -9.255 -0.398 509 1HD PRO 65 1HD PRO 65 -22.430 -7.673 -0.664 510 2HD PRO 65 2HD PRO 65 -22.605 -9.033 0.474 No H/Q in entry = 510 Start of MODEL 16 1 H1 MET 1 H1 MET 1 37.643 14.242 -12.002 2 H2 MET 1 H2 MET 1 38.677 13.022 -12.574 3 H3 MET 1 H3 MET 1 39.218 14.628 -12.510 4 HA MET 1 HA MET 1 38.144 15.243 -14.385 5 1HB MET 1 1HB MET 1 39.618 13.270 -14.897 6 2HB MET 1 2HB MET 1 38.200 12.234 -14.763 7 1HG MET 1 1HG MET 1 38.504 12.741 -17.105 8 2HG MET 1 2HG MET 1 37.097 13.641 -16.549 9 1HE MET 1 1HE MET 1 40.726 13.472 -16.954 10 2HE MET 1 2HE MET 1 41.244 14.986 -17.689 11 3HE MET 1 3HE MET 1 41.097 14.858 -15.932 12 H LYS 2 H LYS 2 36.115 15.713 -13.011 13 HA LYS 2 HA LYS 2 33.862 13.868 -13.658 14 1HB LYS 2 1HB LYS 2 32.629 14.909 -11.917 15 2HB LYS 2 2HB LYS 2 34.256 14.729 -11.275 16 1HG LYS 2 1HG LYS 2 33.033 17.266 -12.413 17 2HG LYS 2 2HG LYS 2 33.438 16.950 -10.732 18 1HD LYS 2 1HD LYS 2 35.845 16.592 -11.526 19 2HD LYS 2 2HD LYS 2 35.332 17.314 -13.055 20 1HE LYS 2 1HE LYS 2 36.290 19.025 -11.571 21 2HE LYS 2 2HE LYS 2 34.574 19.329 -11.838 22 1HZ LYS 2 1HZ LYS 2 35.492 17.731 -9.534 23 2HZ LYS 2 2HZ LYS 2 35.464 19.429 -9.460 24 3HZ LYS 2 3HZ LYS 2 34.028 18.564 -9.735 25 H ALA 3 H ALA 3 35.305 15.893 -15.464 26 HA ALA 3 HA ALA 3 33.578 18.072 -16.046 27 1HB ALA 3 1HB ALA 3 35.493 16.463 -17.743 28 2HB ALA 3 2HB ALA 3 35.703 18.093 -17.105 29 3HB ALA 3 3HB ALA 3 34.565 17.802 -18.421 30 H ILE 4 H ILE 4 33.515 14.694 -17.095 31 HA ILE 4 HA ILE 4 30.910 15.187 -18.497 32 HB ILE 4 HB ILE 4 32.815 14.127 -19.790 33 1HG1 ILE 4 1HG1 ILE 4 31.367 12.218 -20.632 34 2HG1 ILE 4 2HG1 ILE 4 30.258 12.565 -19.310 35 1HG2 ILE 4 1HG2 ILE 4 33.568 12.797 -17.720 36 2HG2 ILE 4 2HG2 ILE 4 32.255 11.684 -18.105 37 3HG2 ILE 4 3HG2 ILE 4 33.562 11.940 -19.260 38 1HD1 ILE 4 1HD1 ILE 4 31.046 14.867 -21.056 39 2HD1 ILE 4 2HD1 ILE 4 29.957 13.663 -21.737 40 3HD1 ILE 4 3HD1 ILE 4 29.509 14.521 -20.265 41 H PHE 5 H PHE 5 29.080 14.090 -17.774 42 HA PHE 5 HA PHE 5 29.412 12.073 -15.592 43 1HB PHE 5 1HB PHE 5 27.655 13.205 -14.274 44 2HB PHE 5 2HB PHE 5 29.053 14.257 -14.505 45 HD1 PHE 5 HD1 PHE 5 28.965 16.172 -16.006 46 HD2 PHE 5 HD2 PHE 5 25.549 13.627 -15.462 47 HE1 PHE 5 HE1 PHE 5 27.529 17.865 -17.110 48 HE2 PHE 5 HE2 PHE 5 24.112 15.320 -16.566 49 HZ PHE 5 HZ PHE 5 25.103 17.440 -17.391 50 H VAL 6 H VAL 6 27.673 10.614 -15.419 51 HA VAL 6 HA VAL 6 25.563 10.770 -17.546 52 HB VAL 6 HB VAL 6 27.083 8.288 -16.681 53 1HG1 VAL 6 1HG1 VAL 6 24.763 8.769 -18.567 54 2HG1 VAL 6 2HG1 VAL 6 25.746 7.306 -18.623 55 3HG1 VAL 6 3HG1 VAL 6 24.816 7.688 -17.175 56 1HG2 VAL 6 1HG2 VAL 6 27.054 9.847 -19.288 57 2HG2 VAL 6 2HG2 VAL 6 28.412 9.726 -18.168 58 3HG2 VAL 6 3HG2 VAL 6 27.862 8.299 -19.045 59 H LEU 7 H LEU 7 23.549 10.491 -16.744 60 HA LEU 7 HA LEU 7 23.117 10.220 -13.916 61 1HB LEU 7 1HB LEU 7 21.302 10.103 -16.330 62 2HB LEU 7 2HB LEU 7 20.676 9.871 -14.701 63 HG LEU 7 HG LEU 7 20.514 12.241 -15.572 64 1HD1 LEU 7 1HD1 LEU 7 20.754 11.505 -13.068 65 2HD1 LEU 7 2HD1 LEU 7 22.356 12.236 -13.189 66 3HD1 LEU 7 3HD1 LEU 7 20.919 13.205 -13.490 67 1HD2 LEU 7 1HD2 LEU 7 22.778 12.111 -16.733 68 2HD2 LEU 7 2HD2 LEU 7 22.482 13.581 -15.805 69 3HD2 LEU 7 3HD2 LEU 7 23.510 12.313 -15.139 70 H ASN 8 H ASN 8 24.491 8.178 -13.775 71 HA ASN 8 HA ASN 8 23.628 5.689 -14.853 72 1HB ASN 8 1HB ASN 8 25.840 6.007 -13.795 73 2HB ASN 8 2HB ASN 8 25.055 6.212 -12.228 74 2HD2 ASN 8 2HD2 ASN 8 25.856 4.271 -11.233 75 1HD2 ASN 8 1HD2 ASN 8 25.449 2.721 -11.791 76 H ALA 9 H ALA 9 22.797 7.308 -11.783 77 HA ALA 9 HA ALA 9 20.845 5.154 -11.160 78 1HB ALA 9 1HB ALA 9 21.700 7.614 -9.602 79 2HB ALA 9 2HB ALA 9 22.237 5.959 -9.313 80 3HB ALA 9 3HB ALA 9 20.554 6.405 -9.025 81 H GLN 10 H GLN 10 18.693 5.404 -11.530 82 HA GLN 10 HA GLN 10 17.769 7.811 -12.896 83 1HB GLN 10 1HB GLN 10 15.585 6.635 -12.990 84 2HB GLN 10 2HB GLN 10 16.902 5.638 -13.601 85 1HG GLN 10 1HG GLN 10 16.013 5.449 -10.714 86 2HG GLN 10 2HG GLN 10 15.206 4.535 -11.982 87 2HE2 GLN 10 2HE2 GLN 10 17.187 3.773 -9.672 88 1HE2 GLN 10 1HE2 GLN 10 18.326 2.792 -10.461 89 H HIS 11 H HIS 11 16.135 9.241 -12.137 90 HA HIS 11 HA HIS 11 15.432 9.092 -9.243 91 1HB HIS 11 1HB HIS 11 17.440 10.510 -9.384 92 2HB HIS 11 2HB HIS 11 16.660 11.506 -10.613 93 HD1 HIS 11 HD1 HIS 11 14.855 13.165 -9.844 94 HD2 HIS 11 HD2 HIS 11 16.376 10.841 -6.736 95 HE1 HIS 11 HE1 HIS 11 14.010 14.203 -7.694 96 H ASP 12 H ASP 12 13.493 8.432 -10.791 97 HA ASP 12 HA ASP 12 12.100 10.572 -12.139 98 1HB ASP 12 1HB ASP 12 11.197 7.858 -11.143 99 2HB ASP 12 2HB ASP 12 10.150 8.954 -12.045 100 H GLU 13 H GLU 13 12.383 9.629 -8.829 101 HA GLU 13 HA GLU 13 10.527 11.807 -8.064 102 1HB GLU 13 1HB GLU 13 9.357 10.285 -6.443 103 2HB GLU 13 2HB GLU 13 9.035 9.899 -8.135 104 1HG GLU 13 1HG GLU 13 10.820 8.167 -8.054 105 2HG GLU 13 2HG GLU 13 11.048 8.515 -6.339 106 H ALA 14 H ALA 14 10.787 12.411 -5.784 107 HA ALA 14 HA ALA 14 13.534 12.311 -4.945 108 1HB ALA 14 1HB ALA 14 12.866 13.689 -3.119 109 2HB ALA 14 2HB ALA 14 11.855 14.168 -4.483 110 3HB ALA 14 3HB ALA 14 11.197 13.126 -3.222 111 H VAL 15 H VAL 15 10.606 10.822 -3.599 112 HA VAL 15 HA VAL 15 12.370 8.930 -2.060 113 HB VAL 15 HB VAL 15 9.579 9.860 -1.331 114 1HG1 VAL 15 1HG1 VAL 15 11.667 8.160 0.059 115 2HG1 VAL 15 2HG1 VAL 15 10.266 8.840 0.888 116 3HG1 VAL 15 3HG1 VAL 15 10.040 7.681 -0.421 117 1HG2 VAL 15 1HG2 VAL 15 12.324 10.753 -0.411 118 2HG2 VAL 15 2HG2 VAL 15 11.033 11.750 -1.080 119 3HG2 VAL 15 3HG2 VAL 15 10.863 11.051 0.530 120 H ASP 16 H ASP 16 12.195 6.863 -2.730 121 HA ASP 16 HA ASP 16 10.266 6.068 -4.726 122 1HB ASP 16 1HB ASP 16 12.225 4.498 -3.036 123 2HB ASP 16 2HB ASP 16 11.216 3.762 -4.281 124 H ALA 17 H ALA 17 10.217 6.106 -1.267 125 HA ALA 17 HA ALA 17 8.470 3.968 -0.680 126 1HB ALA 17 1HB ALA 17 8.033 5.055 1.373 127 2HB ALA 17 2HB ALA 17 8.233 6.659 0.669 128 3HB ALA 17 3HB ALA 17 9.640 5.627 0.925 129 H ASN 18 H ASN 18 7.893 6.532 -2.745 130 HA ASN 18 HA ASN 18 5.172 7.195 -2.224 131 1HB ASN 18 1HB ASN 18 6.764 7.133 -4.795 132 2HB ASN 18 2HB ASN 18 5.123 7.769 -4.693 133 2HD2 ASN 18 2HD2 ASN 18 5.130 9.176 -2.299 134 1HD2 ASN 18 1HD2 ASN 18 6.293 10.412 -2.343 135 H SER 19 H SER 19 6.604 4.545 -4.135 136 HA SER 19 HA SER 19 4.178 3.566 -5.262 137 1HB SER 19 1HB SER 19 6.716 2.129 -4.440 138 2HB SER 19 2HB SER 19 5.407 1.348 -5.320 139 HG SER 19 HG SER 19 6.141 3.742 -6.402 140 H LEU 20 H LEU 20 5.749 2.921 -2.147 141 HA LEU 20 HA LEU 20 3.940 0.905 -1.254 142 1HB LEU 20 1HB LEU 20 6.118 1.413 -0.158 143 2HB LEU 20 2HB LEU 20 5.487 2.966 0.364 144 HG LEU 20 HG LEU 20 5.472 1.152 2.126 145 1HD1 LEU 20 1HD1 LEU 20 3.727 3.192 1.827 146 2HD1 LEU 20 2HD1 LEU 20 2.594 1.844 1.762 147 3HD1 LEU 20 3HD1 LEU 20 3.645 2.045 3.159 148 1HD2 LEU 20 1HD2 LEU 20 4.707 -0.598 0.358 149 2HD2 LEU 20 2HD2 LEU 20 4.048 -0.707 1.989 150 3HD2 LEU 20 3HD2 LEU 20 3.081 0.001 0.698 151 H ALA 21 H ALA 21 3.989 4.423 -0.717 152 HA ALA 21 HA ALA 21 1.484 4.497 0.676 153 1HB ALA 21 1HB ALA 21 3.015 6.676 -0.768 154 2HB ALA 21 2HB ALA 21 3.130 6.278 0.947 155 3HB ALA 21 3HB ALA 21 1.636 6.954 0.298 156 H GLU 22 H GLU 22 2.388 4.863 -2.737 157 HA GLU 22 HA GLU 22 -0.100 5.867 -3.684 158 1HB GLU 22 1HB GLU 22 1.957 5.730 -5.087 159 2HB GLU 22 2HB GLU 22 1.773 3.976 -5.138 160 1HG GLU 22 1HG GLU 22 -0.428 4.221 -6.215 161 2HG GLU 22 2HG GLU 22 -0.276 5.976 -6.145 162 H ALA 23 H ALA 23 0.985 2.548 -3.050 163 HA ALA 23 HA ALA 23 -1.228 1.195 -4.196 164 1HB ALA 23 1HB ALA 23 0.344 0.459 -1.704 165 2HB ALA 23 2HB ALA 23 0.773 0.016 -3.355 166 3HB ALA 23 3HB ALA 23 -0.691 -0.637 -2.619 167 H LYS 24 H LYS 24 -0.811 2.565 -0.922 168 HA LYS 24 HA LYS 24 -3.436 1.765 -0.018 169 1HB LYS 24 1HB LYS 24 -1.527 3.908 0.931 170 2HB LYS 24 2HB LYS 24 -3.046 3.538 1.745 171 1HG LYS 24 1HG LYS 24 -2.272 1.145 1.924 172 2HG LYS 24 2HG LYS 24 -0.702 1.668 1.317 173 1HD LYS 24 1HD LYS 24 -2.031 2.894 3.747 174 2HD LYS 24 2HD LYS 24 -0.893 1.558 3.850 175 1HE LYS 24 1HE LYS 24 0.721 3.048 2.512 176 2HE LYS 24 2HE LYS 24 -0.379 4.372 2.895 177 1HZ LYS 24 1HZ LYS 24 -0.137 3.781 5.255 178 2HZ LYS 24 2HZ LYS 24 1.022 2.616 4.832 179 3HZ LYS 24 3HZ LYS 24 1.330 4.263 4.545 180 H VAL 25 H VAL 25 -2.140 4.732 -1.496 181 HA VAL 25 HA VAL 25 -4.529 6.272 -1.231 182 HB VAL 25 HB VAL 25 -2.316 6.377 -3.293 183 1HG1 VAL 25 1HG1 VAL 25 -4.727 8.146 -2.865 184 2HG1 VAL 25 2HG1 VAL 25 -3.264 8.742 -3.651 185 3HG1 VAL 25 3HG1 VAL 25 -4.168 7.409 -4.367 186 1HG2 VAL 25 1HG2 VAL 25 -1.712 6.888 -0.931 187 2HG2 VAL 25 2HG2 VAL 25 -1.571 8.305 -1.971 188 3HG2 VAL 25 3HG2 VAL 25 -2.964 8.130 -0.902 189 H LEU 26 H LEU 26 -3.348 4.246 -3.937 190 HA LEU 26 HA LEU 26 -5.707 4.594 -5.532 191 1HB LEU 26 1HB LEU 26 -3.658 2.356 -5.455 192 2HB LEU 26 2HB LEU 26 -4.919 2.487 -6.679 193 HG LEU 26 HG LEU 26 -2.852 4.635 -6.117 194 1HD1 LEU 26 1HD1 LEU 26 -1.855 2.530 -6.991 195 2HD1 LEU 26 2HD1 LEU 26 -2.958 2.601 -8.364 196 3HD1 LEU 26 3HD1 LEU 26 -1.736 3.855 -8.149 197 1HD2 LEU 26 1HD2 LEU 26 -5.112 4.329 -8.092 198 2HD2 LEU 26 2HD2 LEU 26 -4.606 5.756 -7.189 199 3HD2 LEU 26 3HD2 LEU 26 -3.668 5.217 -8.575 200 H ALA 27 H ALA 27 -4.803 2.172 -3.076 201 HA ALA 27 HA ALA 27 -7.192 0.582 -3.450 202 1HB ALA 27 1HB ALA 27 -5.055 -0.181 -2.299 203 2HB ALA 27 2HB ALA 27 -5.542 0.800 -0.917 204 3HB ALA 27 3HB ALA 27 -6.544 -0.557 -1.433 205 H ASN 28 H ASN 28 -6.286 3.223 -1.253 206 HA ASN 28 HA ASN 28 -8.689 3.220 0.299 207 1HB ASN 28 1HB ASN 28 -6.656 4.460 0.963 208 2HB ASN 28 2HB ASN 28 -6.870 5.543 -0.412 209 2HD2 ASN 28 2HD2 ASN 28 -6.913 6.429 2.365 210 1HD2 ASN 28 1HD2 ASN 28 -8.470 7.029 2.678 211 H ARG 29 H ARG 29 -7.802 4.836 -2.726 212 HA ARG 29 HA ARG 29 -10.167 6.413 -2.999 213 1HB ARG 29 1HB ARG 29 -8.263 5.259 -5.056 214 2HB ARG 29 2HB ARG 29 -9.567 6.367 -5.470 215 1HG ARG 29 1HG ARG 29 -7.611 7.128 -3.309 216 2HG ARG 29 2HG ARG 29 -7.150 7.314 -4.998 217 1HD ARG 29 1HD ARG 29 -9.682 8.487 -3.811 218 2HD ARG 29 2HD ARG 29 -8.169 9.371 -3.971 219 HE ARG 29 HE ARG 29 -8.624 8.423 -6.522 220 1HH1 ARG 29 1HH1 ARG 29 -9.797 9.589 -8.060 221 2HH1 ARG 29 2HH1 ARG 29 -10.980 10.740 -7.538 222 1HH2 ARG 29 1HH2 ARG 29 -10.436 10.167 -4.162 223 2HH2 ARG 29 2HH2 ARG 29 -11.343 11.067 -5.331 224 H GLU 30 H GLU 30 -9.431 3.068 -3.896 225 HA GLU 30 HA GLU 30 -11.710 2.597 -5.521 226 1HB GLU 30 1HB GLU 30 -9.828 1.011 -5.342 227 2HB GLU 30 2HB GLU 30 -10.275 0.662 -3.674 228 1HG GLU 30 1HG GLU 30 -12.386 0.335 -5.796 229 2HG GLU 30 2HG GLU 30 -11.121 -0.888 -5.691 230 H LEU 31 H LEU 31 -11.322 2.395 -1.984 231 HA LEU 31 HA LEU 31 -13.940 1.334 -1.439 232 1HB LEU 31 1HB LEU 31 -12.419 3.278 0.330 233 2HB LEU 31 2HB LEU 31 -13.577 2.044 0.830 234 HG LEU 31 HG LEU 31 -10.887 1.539 -0.450 235 1HD1 LEU 31 1HD1 LEU 31 -11.890 1.094 2.381 236 2HD1 LEU 31 2HD1 LEU 31 -10.314 0.590 1.773 237 3HD1 LEU 31 3HD1 LEU 31 -10.711 2.305 1.878 238 1HD2 LEU 31 1HD2 LEU 31 -13.170 -0.260 0.386 239 2HD2 LEU 31 2HD2 LEU 31 -12.261 -0.261 -1.125 240 3HD2 LEU 31 3HD2 LEU 31 -11.516 -0.868 0.351 241 H ASP 32 H ASP 32 -12.657 4.592 -1.763 242 HA ASP 32 HA ASP 32 -14.974 6.053 -1.046 243 1HB ASP 32 1HB ASP 32 -12.721 7.023 -1.311 244 2HB ASP 32 2HB ASP 32 -12.817 6.756 -3.050 245 H LYS 33 H LYS 33 -14.006 4.604 -4.138 246 HA LYS 33 HA LYS 33 -15.969 5.836 -5.781 247 1HB LYS 33 1HB LYS 33 -14.035 4.428 -6.570 248 2HB LYS 33 2HB LYS 33 -14.932 3.001 -6.052 249 1HG LYS 33 1HG LYS 33 -16.828 3.751 -7.544 250 2HG LYS 33 2HG LYS 33 -15.761 5.011 -8.163 251 1HD LYS 33 1HD LYS 33 -15.187 2.034 -8.261 252 2HD LYS 33 2HD LYS 33 -15.745 3.006 -9.621 253 1HE LYS 33 1HE LYS 33 -13.655 4.491 -9.107 254 2HE LYS 33 2HE LYS 33 -13.082 3.079 -8.218 255 1HZ LYS 33 1HZ LYS 33 -14.033 2.111 -10.608 256 2HZ LYS 33 2HZ LYS 33 -13.175 3.518 -11.020 257 3HZ LYS 33 3HZ LYS 33 -12.408 2.275 -10.153 258 H TYR 34 H TYR 34 -16.186 2.884 -3.767 259 HA TYR 34 HA TYR 34 -18.970 2.441 -4.616 260 1HB TYR 34 1HB TYR 34 -17.226 1.089 -2.542 261 2HB TYR 34 2HB TYR 34 -18.894 0.620 -2.869 262 HD1 TYR 34 HD1 TYR 34 -15.467 0.712 -4.179 263 HD2 TYR 34 HD2 TYR 34 -19.518 -0.435 -4.997 264 HE1 TYR 34 HE1 TYR 34 -14.687 -0.642 -6.099 265 HE2 TYR 34 HE2 TYR 34 -18.743 -1.795 -6.922 266 HH TYR 34 HH TYR 34 -15.305 -1.863 -7.856 267 H GLY 35 H GLY 35 -17.384 4.385 -2.322 268 1HA GLY 35 1HA GLY 35 -19.948 5.227 -1.198 269 2HA GLY 35 2HA GLY 35 -18.374 5.923 -0.821 270 H VAL 36 H VAL 36 -17.494 2.969 -0.288 271 HA VAL 36 HA VAL 36 -18.944 1.890 1.868 272 HB VAL 36 HB VAL 36 -15.921 1.910 1.889 273 1HG1 VAL 36 1HG1 VAL 36 -18.022 -0.191 2.502 274 2HG1 VAL 36 2HG1 VAL 36 -16.279 -0.424 2.633 275 3HG1 VAL 36 3HG1 VAL 36 -17.098 0.723 3.692 276 1HG2 VAL 36 1HG2 VAL 36 -17.785 0.532 -0.055 277 2HG2 VAL 36 2HG2 VAL 36 -16.362 1.507 -0.414 278 3HG2 VAL 36 3HG2 VAL 36 -16.173 -0.096 0.293 279 H SER 37 H SER 37 -18.281 1.978 4.240 280 HA SER 37 HA SER 37 -18.490 4.636 5.233 281 1HB SER 37 1HB SER 37 -18.178 3.678 7.418 282 2HB SER 37 2HB SER 37 -19.076 2.500 6.466 283 HG SER 37 HG SER 37 -17.302 1.577 7.611 284 H ASP 38 H ASP 38 -16.864 5.816 6.539 285 HA ASP 38 HA ASP 38 -14.270 5.843 5.181 286 1HB ASP 38 1HB ASP 38 -13.811 7.813 6.549 287 2HB ASP 38 2HB ASP 38 -15.438 7.937 5.878 288 H TYR 39 H TYR 39 -15.465 3.965 7.632 289 HA TYR 39 HA TYR 39 -13.267 4.045 9.506 290 1HB TYR 39 1HB TYR 39 -15.355 3.112 10.245 291 2HB TYR 39 2HB TYR 39 -15.385 1.964 8.907 292 HD1 TYR 39 HD1 TYR 39 -13.876 0.046 8.854 293 HD2 TYR 39 HD2 TYR 39 -13.932 2.735 12.202 294 HE1 TYR 39 HE1 TYR 39 -12.619 -1.605 10.194 295 HE2 TYR 39 HE2 TYR 39 -12.671 1.076 13.551 296 HH TYR 39 HH TYR 39 -12.465 -2.002 12.953 297 H TYR 40 H TYR 40 -13.984 2.068 6.651 298 HA TYR 40 HA TYR 40 -11.798 0.249 6.929 299 1HB TYR 40 1HB TYR 40 -13.304 1.159 4.464 300 2HB TYR 40 2HB TYR 40 -12.176 -0.196 4.501 301 HD1 TYR 40 HD1 TYR 40 -15.505 0.977 5.388 302 HD2 TYR 40 HD2 TYR 40 -12.665 -2.199 5.917 303 HE1 TYR 40 HE1 TYR 40 -17.313 -0.496 6.223 304 HE2 TYR 40 HE2 TYR 40 -14.473 -3.676 6.757 305 HH TYR 40 HH TYR 40 -16.791 -3.271 7.907 306 H LYS 41 H LYS 41 -11.956 3.439 5.294 307 HA LYS 41 HA LYS 41 -9.485 3.168 3.919 308 1HB LYS 41 1HB LYS 41 -9.608 5.462 3.472 309 2HB LYS 41 2HB LYS 41 -11.298 5.057 3.759 310 1HG LYS 41 1HG LYS 41 -10.839 5.721 6.212 311 2HG LYS 41 2HG LYS 41 -9.366 6.464 5.605 312 1HD LYS 41 1HD LYS 41 -12.156 7.079 4.586 313 2HD LYS 41 2HD LYS 41 -11.256 8.083 5.723 314 1HE LYS 41 1HE LYS 41 -9.396 8.139 3.949 315 2HE LYS 41 2HE LYS 41 -10.600 7.494 2.833 316 1HZ LYS 41 1HZ LYS 41 -11.880 9.544 4.099 317 2HZ LYS 41 2HZ LYS 41 -10.310 10.146 3.860 318 3HZ LYS 41 3HZ LYS 41 -11.223 9.593 2.537 319 H ASN 42 H ASN 42 -10.235 4.216 7.211 320 HA ASN 42 HA ASN 42 -7.605 4.997 7.936 321 1HB ASN 42 1HB ASN 42 -9.871 3.838 9.580 322 2HB ASN 42 2HB ASN 42 -8.372 4.439 10.291 323 2HD2 ASN 42 2HD2 ASN 42 -7.861 6.743 8.815 324 1HD2 ASN 42 1HD2 ASN 42 -9.134 7.851 8.999 325 H LEU 43 H LEU 43 -9.236 1.863 7.943 326 HA LEU 43 HA LEU 43 -7.190 0.346 9.205 327 1HB LEU 43 1HB LEU 43 -9.460 -0.536 8.791 328 2HB LEU 43 2HB LEU 43 -9.155 -0.514 7.057 329 HG LEU 43 HG LEU 43 -7.331 -2.137 7.342 330 1HD1 LEU 43 1HD1 LEU 43 -7.981 -1.740 10.256 331 2HD1 LEU 43 2HD1 LEU 43 -7.336 -3.290 9.713 332 3HD1 LEU 43 3HD1 LEU 43 -6.404 -1.815 9.468 333 1HD2 LEU 43 1HD2 LEU 43 -9.968 -2.901 8.626 334 2HD2 LEU 43 2HD2 LEU 43 -9.549 -3.024 6.917 335 3HD2 LEU 43 3HD2 LEU 43 -8.755 -4.068 8.096 336 H ILE 44 H ILE 44 -7.662 1.290 5.814 337 HA ILE 44 HA ILE 44 -5.552 -0.264 4.685 338 HB ILE 44 HB ILE 44 -6.482 2.518 3.875 339 1HG1 ILE 44 1HG1 ILE 44 -8.393 1.035 3.864 340 2HG1 ILE 44 2HG1 ILE 44 -7.876 1.256 2.196 341 1HG2 ILE 44 1HG2 ILE 44 -4.977 0.356 2.379 342 2HG2 ILE 44 2HG2 ILE 44 -5.655 1.796 1.621 343 3HG2 ILE 44 3HG2 ILE 44 -4.376 1.952 2.822 344 1HD1 ILE 44 1HD1 ILE 44 -6.457 -0.912 2.629 345 2HD1 ILE 44 2HD1 ILE 44 -7.587 -1.151 3.962 346 3HD1 ILE 44 3HD1 ILE 44 -8.186 -1.056 2.311 347 H ASN 45 H ASN 45 -5.584 2.928 6.217 348 HA ASN 45 HA ASN 45 -2.940 3.747 5.720 349 1HB ASN 45 1HB ASN 45 -4.775 5.049 6.908 350 2HB ASN 45 2HB ASN 45 -4.386 4.118 8.355 351 2HD2 ASN 45 2HD2 ASN 45 -3.750 6.318 9.268 352 1HD2 ASN 45 1HD2 ASN 45 -2.197 6.912 8.927 353 H ASN 46 H ASN 46 -4.123 1.234 7.847 354 HA ASN 46 HA ASN 46 -1.547 1.025 9.277 355 1HB ASN 46 1HB ASN 46 -4.105 -0.589 9.441 356 2HB ASN 46 2HB ASN 46 -2.686 -0.870 10.450 357 2HD2 ASN 46 2HD2 ASN 46 -1.877 1.763 11.019 358 1HD2 ASN 46 1HD2 ASN 46 -3.092 2.550 11.904 359 H ALA 47 H ALA 47 -2.285 0.160 6.238 360 HA ALA 47 HA ALA 47 -1.727 -2.637 6.110 361 1HB ALA 47 1HB ALA 47 -2.500 -0.991 4.228 362 2HB ALA 47 2HB ALA 47 -1.473 -2.357 3.802 363 3HB ALA 47 3HB ALA 47 -0.774 -0.748 3.965 364 H LYS 48 H LYS 48 0.158 -3.775 6.287 365 HA LYS 48 HA LYS 48 2.650 -2.230 6.856 366 1HB LYS 48 1HB LYS 48 3.439 -4.392 7.833 367 2HB LYS 48 2HB LYS 48 1.986 -3.764 8.610 368 1HG LYS 48 1HG LYS 48 0.595 -5.265 7.230 369 2HG LYS 48 2HG LYS 48 2.044 -5.898 6.454 370 1HD LYS 48 1HD LYS 48 2.877 -6.675 8.652 371 2HD LYS 48 2HD LYS 48 1.407 -6.066 9.413 372 1HE LYS 48 1HE LYS 48 1.171 -8.462 9.002 373 2HE LYS 48 2HE LYS 48 0.064 -7.577 7.954 374 1HZ LYS 48 1HZ LYS 48 2.493 -7.784 6.613 375 2HZ LYS 48 2HZ LYS 48 2.142 -9.328 7.230 376 3HZ LYS 48 3HZ LYS 48 1.023 -8.543 6.226 377 H THR 49 H THR 49 1.255 -4.375 4.495 378 HA THR 49 HA THR 49 3.841 -4.322 2.992 379 HB THR 49 HB THR 49 3.360 -6.718 2.305 380 HG1 THR 49 HG1 THR 49 1.255 -6.913 2.947 381 1HG2 THR 49 1HG2 THR 49 3.984 -6.076 5.198 382 2HG2 THR 49 2HG2 THR 49 4.228 -7.662 4.472 383 3HG2 THR 49 3HG2 THR 49 5.135 -6.271 3.879 384 H VAL 50 H VAL 50 3.571 -4.470 0.705 385 HA VAL 50 HA VAL 50 1.193 -3.229 -0.325 386 HB VAL 50 HB VAL 50 3.307 -4.798 -1.809 387 1HG1 VAL 50 1HG1 VAL 50 1.244 -2.760 -2.668 388 2HG1 VAL 50 2HG1 VAL 50 2.619 -3.219 -3.674 389 3HG1 VAL 50 3HG1 VAL 50 1.410 -4.424 -3.228 390 1HG2 VAL 50 1HG2 VAL 50 3.153 -1.861 -1.067 391 2HG2 VAL 50 2HG2 VAL 50 4.334 -3.030 -0.472 392 3HG2 VAL 50 3HG2 VAL 50 4.345 -2.552 -2.169 393 H GLU 51 H GLU 51 2.371 -6.601 -0.366 394 HA GLU 51 HA GLU 51 0.275 -7.681 -1.967 395 1HB GLU 51 1HB GLU 51 1.928 -8.919 0.257 396 2HB GLU 51 2HB GLU 51 0.818 -9.840 -0.758 397 1HG GLU 51 1HG GLU 51 2.053 -9.131 -2.769 398 2HG GLU 51 2HG GLU 51 3.168 -8.207 -1.763 399 H GLY 52 H GLY 52 0.540 -7.047 1.491 400 1HA GLY 52 1HA GLY 52 -1.100 -6.952 3.157 401 2HA GLY 52 2HA GLY 52 -1.925 -8.245 2.283 402 H VAL 53 H VAL 53 -1.148 -5.040 0.922 403 HA VAL 53 HA VAL 53 -3.697 -3.840 1.448 404 HB VAL 53 HB VAL 53 -1.687 -3.356 -0.773 405 1HG1 VAL 53 1HG1 VAL 53 -4.279 -1.947 -0.108 406 2HG1 VAL 53 2HG1 VAL 53 -2.972 -1.133 -0.969 407 3HG1 VAL 53 3HG1 VAL 53 -3.741 -2.557 -1.673 408 1HG2 VAL 53 1HG2 VAL 53 -1.010 -2.832 1.577 409 2HG2 VAL 53 2HG2 VAL 53 -1.095 -1.398 0.554 410 3HG2 VAL 53 3HG2 VAL 53 -2.392 -1.742 1.698 411 H LYS 54 H LYS 54 -2.528 -5.576 -1.464 412 HA LYS 54 HA LYS 54 -4.975 -5.419 -2.906 413 1HB LYS 54 1HB LYS 54 -2.842 -6.097 -3.930 414 2HB LYS 54 2HB LYS 54 -2.858 -7.591 -2.998 415 1HG LYS 54 1HG LYS 54 -5.361 -7.123 -4.536 416 2HG LYS 54 2HG LYS 54 -3.934 -7.294 -5.552 417 1HD LYS 54 1HD LYS 54 -4.438 -9.272 -3.327 418 2HD LYS 54 2HD LYS 54 -5.279 -9.440 -4.867 419 1HE LYS 54 1HE LYS 54 -3.142 -9.495 -6.064 420 2HE LYS 54 2HE LYS 54 -2.267 -9.252 -4.553 421 1HZ LYS 54 1HZ LYS 54 -3.839 -11.375 -3.998 422 2HZ LYS 54 2HZ LYS 54 -3.450 -11.646 -5.630 423 3HZ LYS 54 3HZ LYS 54 -2.214 -11.467 -4.477 424 H ALA 55 H ALA 55 -3.806 -7.960 -0.681 425 HA ALA 55 HA ALA 55 -6.146 -9.624 -0.994 426 1HB ALA 55 1HB ALA 55 -5.305 -10.792 1.012 427 2HB ALA 55 2HB ALA 55 -4.147 -9.488 1.281 428 3HB ALA 55 3HB ALA 55 -4.007 -10.512 -0.148 429 H LEU 56 H LEU 56 -5.411 -6.867 0.992 430 HA LEU 56 HA LEU 56 -7.464 -7.310 2.944 431 1HB LEU 56 1HB LEU 56 -5.596 -5.851 3.416 432 2HB LEU 56 2HB LEU 56 -6.068 -4.770 2.109 433 HG LEU 56 HG LEU 56 -8.156 -4.229 3.270 434 1HD1 LEU 56 1HD1 LEU 56 -7.207 -6.388 5.154 435 2HD1 LEU 56 2HD1 LEU 56 -8.260 -5.101 5.744 436 3HD1 LEU 56 3HD1 LEU 56 -8.807 -6.159 4.447 437 1HD2 LEU 56 1HD2 LEU 56 -6.108 -2.948 3.813 438 2HD2 LEU 56 2HD2 LEU 56 -7.180 -3.062 5.208 439 3HD2 LEU 56 3HD2 LEU 56 -5.749 -4.084 5.112 440 H ILE 57 H ILE 57 -7.379 -5.514 -0.124 441 HA ILE 57 HA ILE 57 -10.097 -4.524 0.209 442 HB ILE 57 HB ILE 57 -8.599 -4.918 -2.394 443 1HG1 ILE 57 1HG1 ILE 57 -7.147 -3.610 -0.964 444 2HG1 ILE 57 2HG1 ILE 57 -7.935 -2.490 -2.066 445 1HG2 ILE 57 1HG2 ILE 57 -11.076 -4.375 -2.406 446 2HG2 ILE 57 2HG2 ILE 57 -10.670 -2.847 -1.631 447 3HG2 ILE 57 3HG2 ILE 57 -10.057 -3.209 -3.243 448 1HD1 ILE 57 1HD1 ILE 57 -9.713 -2.246 -0.170 449 2HD1 ILE 57 2HD1 ILE 57 -8.464 -2.939 0.864 450 3HD1 ILE 57 3HD1 ILE 57 -8.166 -1.424 0.012 451 H ASP 58 H ASP 58 -8.545 -7.288 -1.365 452 HA ASP 58 HA ASP 58 -10.891 -8.310 -2.654 453 1HB ASP 58 1HB ASP 58 -8.368 -9.671 -1.701 454 2HB ASP 58 2HB ASP 58 -9.619 -10.498 -2.627 455 H GLU 59 H GLU 59 -9.552 -8.925 0.601 456 HA GLU 59 HA GLU 59 -11.525 -10.954 1.190 457 1HB GLU 59 1HB GLU 59 -10.678 -10.940 3.421 458 2HB GLU 59 2HB GLU 59 -9.284 -10.605 2.398 459 1HG GLU 59 1HG GLU 59 -9.545 -8.216 2.828 460 2HG GLU 59 2HG GLU 59 -10.909 -8.529 3.892 461 H ILE 60 H ILE 60 -11.323 -7.469 1.593 462 HA ILE 60 HA ILE 60 -13.746 -7.218 3.131 463 HB ILE 60 HB ILE 60 -12.190 -5.263 1.419 464 1HG1 ILE 60 1HG1 ILE 60 -12.524 -5.384 4.425 465 2HG1 ILE 60 2HG1 ILE 60 -11.220 -6.219 3.581 466 1HG2 ILE 60 1HG2 ILE 60 -14.656 -4.858 3.129 467 2HG2 ILE 60 2HG2 ILE 60 -13.570 -3.535 2.704 468 3HG2 ILE 60 3HG2 ILE 60 -14.427 -4.413 1.438 469 1HD1 ILE 60 1HD1 ILE 60 -11.776 -3.238 3.447 470 2HD1 ILE 60 2HD1 ILE 60 -10.484 -3.997 4.379 471 3HD1 ILE 60 3HD1 ILE 60 -10.466 -4.077 2.617 472 H LEU 61 H LEU 61 -12.989 -7.046 -0.337 473 HA LEU 61 HA LEU 61 -15.683 -6.390 -1.142 474 1HB LEU 61 1HB LEU 61 -13.322 -7.546 -2.644 475 2HB LEU 61 2HB LEU 61 -14.864 -7.192 -3.422 476 HG LEU 61 HG LEU 61 -13.214 -5.162 -1.886 477 1HD1 LEU 61 1HD1 LEU 61 -13.462 -5.659 -4.869 478 2HD1 LEU 61 2HD1 LEU 61 -12.646 -4.276 -4.144 479 3HD1 LEU 61 3HD1 LEU 61 -12.016 -5.904 -3.891 480 1HD2 LEU 61 1HD2 LEU 61 -15.821 -5.072 -3.390 481 2HD2 LEU 61 2HD2 LEU 61 -15.361 -4.251 -1.899 482 3HD2 LEU 61 3HD2 LEU 61 -14.772 -3.656 -3.444 483 H ALA 62 H ALA 62 -13.932 -9.437 -0.698 484 HA ALA 62 HA ALA 62 -15.855 -11.152 -1.906 485 1HB ALA 62 1HB ALA 62 -14.142 -11.756 0.523 486 2HB ALA 62 2HB ALA 62 -13.580 -11.865 -1.145 487 3HB ALA 62 3HB ALA 62 -14.861 -12.935 -0.576 488 H ALA 63 H ALA 63 -15.645 -9.856 1.407 489 HA ALA 63 HA ALA 63 -17.839 -11.316 2.492 490 1HB ALA 63 1HB ALA 63 -17.973 -9.477 4.156 491 2HB ALA 63 2HB ALA 63 -16.311 -10.013 3.908 492 3HB ALA 63 3HB ALA 63 -16.876 -8.517 3.164 493 H LEU 64 H LEU 64 -17.702 -8.250 0.707 494 HA LEU 64 HA LEU 64 -20.555 -7.780 0.919 495 1HB LEU 64 1HB LEU 64 -18.378 -6.617 -0.834 496 2HB LEU 64 2HB LEU 64 -20.050 -6.082 -0.939 497 HG LEU 64 HG LEU 64 -18.566 -6.113 1.698 498 1HD1 LEU 64 1HD1 LEU 64 -18.644 -3.914 -0.388 499 2HD1 LEU 64 2HD1 LEU 64 -18.128 -3.674 1.281 500 3HD1 LEU 64 3HD1 LEU 64 -17.213 -4.746 0.220 501 1HD2 LEU 64 1HD2 LEU 64 -21.044 -4.734 0.620 502 2HD2 LEU 64 2HD2 LEU 64 -20.909 -5.796 2.022 503 3HD2 LEU 64 3HD2 LEU 64 -20.231 -4.174 2.078 504 HA PRO 65 HA PRO 65 -21.944 -10.518 -2.306 505 1HB PRO 65 1HB PRO 65 -23.685 -8.638 -3.617 506 2HB PRO 65 2HB PRO 65 -24.125 -9.870 -2.429 507 1HG PRO 65 1HG PRO 65 -23.874 -6.970 -2.064 508 2HG PRO 65 2HG PRO 65 -24.626 -8.164 -0.999 509 1HD PRO 65 1HD PRO 65 -22.189 -6.838 -0.506 510 2HD PRO 65 2HD PRO 65 -22.749 -8.307 0.325 No H/Q in entry = 510 Start of MODEL 17 1 H1 MET 1 H1 MET 1 27.168 -10.301 -10.685 2 H2 MET 1 H2 MET 1 28.291 -11.186 -9.772 3 H3 MET 1 H3 MET 1 26.665 -11.677 -9.823 4 HA MET 1 HA MET 1 27.153 -10.583 -7.727 5 1HB MET 1 1HB MET 1 28.974 -9.145 -8.780 6 2HB MET 1 2HB MET 1 27.682 -8.119 -9.402 7 1HG MET 1 1HG MET 1 28.401 -7.154 -7.318 8 2HG MET 1 2HG MET 1 26.835 -7.910 -7.027 9 1HE MET 1 1HE MET 1 27.625 -7.481 -4.564 10 2HE MET 1 2HE MET 1 26.566 -8.874 -4.764 11 3HE MET 1 3HE MET 1 27.956 -8.981 -3.685 12 H LYS 2 H LYS 2 25.300 -9.769 -6.742 13 HA LYS 2 HA LYS 2 23.022 -9.124 -8.546 14 1HB LYS 2 1HB LYS 2 23.082 -9.594 -5.545 15 2HB LYS 2 2HB LYS 2 21.636 -9.448 -6.539 16 1HG LYS 2 1HG LYS 2 23.755 -11.576 -6.964 17 2HG LYS 2 2HG LYS 2 22.301 -11.828 -5.999 18 1HD LYS 2 1HD LYS 2 21.000 -11.055 -8.101 19 2HD LYS 2 2HD LYS 2 22.511 -11.317 -8.970 20 1HE LYS 2 1HE LYS 2 21.127 -13.410 -7.270 21 2HE LYS 2 2HE LYS 2 21.030 -13.316 -9.029 22 1HZ LYS 2 1HZ LYS 2 23.473 -13.481 -9.089 23 2HZ LYS 2 2HZ LYS 2 23.483 -13.719 -7.407 24 3HZ LYS 2 3HZ LYS 2 22.737 -14.858 -8.420 25 H ALA 3 H ALA 3 22.703 -7.000 -8.979 26 HA ALA 3 HA ALA 3 22.499 -5.024 -6.876 27 1HB ALA 3 1HB ALA 3 25.039 -5.364 -7.241 28 2HB ALA 3 2HB ALA 3 24.430 -3.708 -7.284 29 3HB ALA 3 3HB ALA 3 24.793 -4.555 -8.788 30 H ILE 4 H ILE 4 20.724 -3.982 -7.700 31 HA ILE 4 HA ILE 4 20.894 -2.554 -10.219 32 HB ILE 4 HB ILE 4 20.438 -4.915 -10.972 33 1HG1 ILE 4 1HG1 ILE 4 18.133 -3.014 -11.486 34 2HG1 ILE 4 2HG1 ILE 4 19.715 -2.867 -12.254 35 1HG2 ILE 4 1HG2 ILE 4 18.983 -5.395 -8.926 36 2HG2 ILE 4 2HG2 ILE 4 17.707 -4.497 -9.747 37 3HG2 ILE 4 3HG2 ILE 4 18.359 -5.966 -10.472 38 1HD1 ILE 4 1HD1 ILE 4 19.473 -5.165 -13.157 39 2HD1 ILE 4 2HD1 ILE 4 17.867 -5.265 -12.433 40 3HD1 ILE 4 3HD1 ILE 4 18.183 -4.103 -13.721 41 H PHE 5 H PHE 5 18.939 -3.748 -7.531 42 HA PHE 5 HA PHE 5 16.734 -1.947 -7.935 43 1HB PHE 5 1HB PHE 5 16.948 -4.047 -6.361 44 2HB PHE 5 2HB PHE 5 17.592 -2.892 -5.195 45 HD1 PHE 5 HD1 PHE 5 14.633 -3.868 -7.172 46 HD2 PHE 5 HD2 PHE 5 16.188 -1.160 -4.229 47 HE1 PHE 5 HE1 PHE 5 12.328 -3.117 -6.648 48 HE2 PHE 5 HE2 PHE 5 13.884 -0.407 -3.711 49 HZ PHE 5 HZ PHE 5 11.956 -1.383 -4.915 50 H VAL 6 H VAL 6 16.470 0.179 -7.214 51 HA VAL 6 HA VAL 6 18.795 1.782 -6.838 52 HB VAL 6 HB VAL 6 15.914 2.392 -6.120 53 1HG1 VAL 6 1HG1 VAL 6 18.393 4.103 -6.357 54 2HG1 VAL 6 2HG1 VAL 6 16.777 4.784 -6.529 55 3HG1 VAL 6 3HG1 VAL 6 17.252 4.011 -5.016 56 1HG2 VAL 6 1HG2 VAL 6 16.347 1.750 -8.507 57 2HG2 VAL 6 2HG2 VAL 6 15.801 3.418 -8.323 58 3HG2 VAL 6 3HG2 VAL 6 17.506 3.076 -8.610 59 H LEU 7 H LEU 7 16.373 0.654 -4.465 60 HA LEU 7 HA LEU 7 17.903 1.800 -2.242 61 1HB LEU 7 1HB LEU 7 15.571 -0.139 -2.138 62 2HB LEU 7 2HB LEU 7 16.177 0.854 -0.816 63 HG LEU 7 HG LEU 7 14.961 1.895 -3.393 64 1HD1 LEU 7 1HD1 LEU 7 13.941 1.706 -0.548 65 2HD1 LEU 7 2HD1 LEU 7 13.208 2.756 -1.760 66 3HD1 LEU 7 3HD1 LEU 7 13.219 1.011 -1.998 67 1HD2 LEU 7 1HD2 LEU 7 16.314 3.229 -1.050 68 2HD2 LEU 7 2HD2 LEU 7 16.474 3.574 -2.773 69 3HD2 LEU 7 3HD2 LEU 7 15.023 4.074 -1.907 70 H ASN 8 H ASN 8 18.721 0.388 -0.462 71 HA ASN 8 HA ASN 8 20.518 -1.589 -1.393 72 1HB ASN 8 1HB ASN 8 20.782 -2.214 0.980 73 2HB ASN 8 2HB ASN 8 20.744 -0.460 0.796 74 2HD2 ASN 8 2HD2 ASN 8 19.260 0.619 2.108 75 1HD2 ASN 8 1HD2 ASN 8 17.923 -0.108 2.860 76 H ALA 9 H ALA 9 20.411 -3.859 -1.427 77 HA ALA 9 HA ALA 9 17.834 -5.013 -1.980 78 1HB ALA 9 1HB ALA 9 20.172 -5.748 -2.821 79 2HB ALA 9 2HB ALA 9 20.300 -6.612 -1.288 80 3HB ALA 9 3HB ALA 9 19.009 -7.013 -2.423 81 H GLN 10 H GLN 10 19.635 -4.576 0.943 82 HA GLN 10 HA GLN 10 18.648 -6.758 2.474 83 1HB GLN 10 1HB GLN 10 20.454 -5.239 3.234 84 2HB GLN 10 2HB GLN 10 19.275 -3.940 3.410 85 1HG GLN 10 1HG GLN 10 18.040 -5.280 5.075 86 2HG GLN 10 2HG GLN 10 19.215 -6.584 4.897 87 2HE2 GLN 10 2HE2 GLN 10 18.735 -3.319 6.180 88 1HE2 GLN 10 1HE2 GLN 10 20.170 -3.275 7.088 89 H HIS 11 H HIS 11 16.648 -7.182 3.270 90 HA HIS 11 HA HIS 11 14.539 -5.056 3.048 91 1HB HIS 11 1HB HIS 11 14.342 -8.084 3.030 92 2HB HIS 11 2HB HIS 11 12.952 -6.996 3.036 93 HD1 HIS 11 HD1 HIS 11 15.780 -8.185 0.870 94 HD2 HIS 11 HD2 HIS 11 12.493 -5.637 0.576 95 HE1 HIS 11 HE1 HIS 11 15.529 -7.621 -1.586 96 H ASP 12 H ASP 12 14.152 -4.157 5.025 97 HA ASP 12 HA ASP 12 13.335 -5.798 7.253 98 1HB ASP 12 1HB ASP 12 15.833 -6.077 7.350 99 2HB ASP 12 2HB ASP 12 15.968 -4.336 7.605 100 H GLU 13 H GLU 13 14.935 -3.222 8.601 101 HA GLU 13 HA GLU 13 12.566 -1.771 9.221 102 1HB GLU 13 1HB GLU 13 15.483 -0.951 9.273 103 2HB GLU 13 2HB GLU 13 14.180 0.060 9.899 104 1HG GLU 13 1HG GLU 13 13.509 -1.739 11.441 105 2HG GLU 13 2HG GLU 13 14.801 -2.763 10.816 106 H ALA 14 H ALA 14 14.989 -1.319 6.672 107 HA ALA 14 HA ALA 14 14.039 1.167 5.673 108 1HB ALA 14 1HB ALA 14 15.294 -1.145 4.159 109 2HB ALA 14 2HB ALA 14 16.166 0.178 4.935 110 3HB ALA 14 3HB ALA 14 15.127 0.501 3.546 111 H VAL 15 H VAL 15 12.425 1.678 4.219 112 HA VAL 15 HA VAL 15 10.652 -0.539 3.246 113 HB VAL 15 HB VAL 15 8.710 0.906 3.713 114 1HG1 VAL 15 1HG1 VAL 15 9.715 -0.686 5.454 115 2HG1 VAL 15 2HG1 VAL 15 10.408 0.748 6.212 116 3HG1 VAL 15 3HG1 VAL 15 8.658 0.581 6.076 117 1HG2 VAL 15 1HG2 VAL 15 10.839 2.763 4.822 118 2HG2 VAL 15 2HG2 VAL 15 9.717 3.097 3.502 119 3HG2 VAL 15 3HG2 VAL 15 9.116 2.948 5.153 120 H ASP 16 H ASP 16 9.399 0.093 1.319 121 HA ASP 16 HA ASP 16 10.970 1.323 -0.689 122 1HB ASP 16 1HB ASP 16 7.987 0.839 -0.507 123 2HB ASP 16 2HB ASP 16 8.768 1.463 -1.960 124 H ALA 17 H ALA 17 8.084 2.913 -1.110 125 HA ALA 17 HA ALA 17 8.438 5.228 0.559 126 1HB ALA 17 1HB ALA 17 10.442 5.636 -0.733 127 2HB ALA 17 2HB ALA 17 9.577 5.368 -2.245 128 3HB ALA 17 3HB ALA 17 9.217 6.787 -1.261 129 H ASN 18 H ASN 18 7.865 5.974 -2.742 130 HA ASN 18 HA ASN 18 5.140 6.755 -2.222 131 1HB ASN 18 1HB ASN 18 6.658 7.805 -3.937 132 2HB ASN 18 2HB ASN 18 6.461 6.353 -4.919 133 2HD2 ASN 18 2HD2 ASN 18 4.467 8.864 -3.266 134 1HD2 ASN 18 1HD2 ASN 18 3.225 8.848 -4.422 135 H SER 19 H SER 19 6.601 3.791 -3.323 136 HA SER 19 HA SER 19 4.422 2.693 -4.778 137 1HB SER 19 1HB SER 19 6.539 1.370 -3.071 138 2HB SER 19 2HB SER 19 5.393 0.469 -4.059 139 HG SER 19 HG SER 19 6.881 0.790 -5.531 140 H LEU 20 H LEU 20 5.087 2.651 -1.258 141 HA LEU 20 HA LEU 20 2.769 1.024 -0.650 142 1HB LEU 20 1HB LEU 20 4.316 2.967 1.098 143 2HB LEU 20 2HB LEU 20 3.100 1.835 1.684 144 HG LEU 20 HG LEU 20 5.647 1.053 0.238 145 1HD1 LEU 20 1HD1 LEU 20 5.958 2.015 2.542 146 2HD1 LEU 20 2HD1 LEU 20 4.921 0.730 3.165 147 3HD1 LEU 20 3HD1 LEU 20 6.461 0.330 2.403 148 1HD2 LEU 20 1HD2 LEU 20 3.278 -0.476 1.309 149 2HD2 LEU 20 2HD2 LEU 20 4.196 -0.727 -0.178 150 3HD2 LEU 20 3HD2 LEU 20 4.875 -1.227 1.366 151 H ALA 21 H ALA 21 3.378 4.519 -0.757 152 HA ALA 21 HA ALA 21 0.774 5.245 0.194 153 1HB ALA 21 1HB ALA 21 2.731 6.820 -1.500 154 2HB ALA 21 2HB ALA 21 2.659 6.821 0.263 155 3HB ALA 21 3HB ALA 21 1.326 7.496 -0.675 156 H GLU 22 H GLU 22 2.149 5.004 -3.100 157 HA GLU 22 HA GLU 22 -0.221 5.825 -4.445 158 1HB GLU 22 1HB GLU 22 2.060 5.527 -5.500 159 2HB GLU 22 2HB GLU 22 1.778 3.786 -5.462 160 1HG GLU 22 1HG GLU 22 1.136 4.597 -7.651 161 2HG GLU 22 2HG GLU 22 -0.330 4.168 -6.772 162 H ALA 23 H ALA 23 0.891 2.549 -3.541 163 HA ALA 23 HA ALA 23 -1.354 1.154 -4.607 164 1HB ALA 23 1HB ALA 23 0.306 0.467 -2.158 165 2HB ALA 23 2HB ALA 23 0.695 0.012 -3.816 166 3HB ALA 23 3HB ALA 23 -0.743 -0.647 -3.035 167 H LYS 24 H LYS 24 -0.776 2.440 -1.323 168 HA LYS 24 HA LYS 24 -3.399 1.717 -0.358 169 1HB LYS 24 1HB LYS 24 -1.325 3.692 0.629 170 2HB LYS 24 2HB LYS 24 -2.823 3.350 1.496 171 1HG LYS 24 1HG LYS 24 -2.180 0.906 1.467 172 2HG LYS 24 2HG LYS 24 -0.613 1.384 0.826 173 1HD LYS 24 1HD LYS 24 -1.760 2.483 3.409 174 2HD LYS 24 2HD LYS 24 -0.691 1.083 3.346 175 1HE LYS 24 1HE LYS 24 0.792 2.857 3.753 176 2HE LYS 24 2HE LYS 24 0.910 2.655 2.009 177 1HZ LYS 24 1HZ LYS 24 -1.191 4.353 2.334 178 2HZ LYS 24 2HZ LYS 24 -0.095 4.864 3.528 179 3HZ LYS 24 3HZ LYS 24 0.386 4.800 1.900 180 H VAL 25 H VAL 25 -2.023 4.702 -1.740 181 HA VAL 25 HA VAL 25 -4.346 6.318 -1.305 182 HB VAL 25 HB VAL 25 -2.089 6.534 -3.298 183 1HG1 VAL 25 1HG1 VAL 25 -4.473 8.336 -2.840 184 2HG1 VAL 25 2HG1 VAL 25 -2.969 8.937 -3.537 185 3HG1 VAL 25 3HG1 VAL 25 -3.885 7.680 -4.367 186 1HG2 VAL 25 1HG2 VAL 25 -1.854 6.896 -0.702 187 2HG2 VAL 25 2HG2 VAL 25 -1.156 8.085 -1.800 188 3HG2 VAL 25 3HG2 VAL 25 -2.701 8.410 -1.016 189 H LEU 26 H LEU 26 -3.293 4.510 -4.222 190 HA LEU 26 HA LEU 26 -5.619 5.181 -5.756 191 1HB LEU 26 1HB LEU 26 -3.759 2.794 -5.934 192 2HB LEU 26 2HB LEU 26 -5.002 3.161 -7.125 193 HG LEU 26 HG LEU 26 -2.687 4.974 -6.378 194 1HD1 LEU 26 1HD1 LEU 26 -2.077 2.914 -7.656 195 2HD1 LEU 26 2HD1 LEU 26 -3.219 3.391 -8.911 196 3HD1 LEU 26 3HD1 LEU 26 -1.806 4.393 -8.581 197 1HD2 LEU 26 1HD2 LEU 26 -5.113 5.313 -8.126 198 2HD2 LEU 26 2HD2 LEU 26 -4.276 6.501 -7.126 199 3HD2 LEU 26 3HD2 LEU 26 -3.594 6.020 -8.677 200 H ALA 27 H ALA 27 -4.924 2.443 -3.593 201 HA ALA 27 HA ALA 27 -7.355 1.025 -4.179 202 1HB ALA 27 1HB ALA 27 -5.373 0.011 -3.044 203 2HB ALA 27 2HB ALA 27 -5.730 0.984 -1.616 204 3HB ALA 27 3HB ALA 27 -6.873 -0.248 -2.153 205 H ASN 28 H ASN 28 -6.499 3.442 -1.725 206 HA ASN 28 HA ASN 28 -8.923 3.355 -0.243 207 1HB ASN 28 1HB ASN 28 -6.903 4.561 0.513 208 2HB ASN 28 2HB ASN 28 -7.114 5.727 -0.792 209 2HD2 ASN 28 2HD2 ASN 28 -7.274 6.089 2.234 210 1HD2 ASN 28 1HD2 ASN 28 -8.789 6.811 2.496 211 H ARG 29 H ARG 29 -8.043 5.187 -3.158 212 HA ARG 29 HA ARG 29 -10.396 6.777 -3.328 213 1HB ARG 29 1HB ARG 29 -8.548 5.713 -5.474 214 2HB ARG 29 2HB ARG 29 -9.856 6.851 -5.802 215 1HG ARG 29 1HG ARG 29 -8.890 8.429 -4.178 216 2HG ARG 29 2HG ARG 29 -7.575 7.304 -3.854 217 1HD ARG 29 1HD ARG 29 -7.019 7.389 -6.314 218 2HD ARG 29 2HD ARG 29 -8.189 8.693 -6.483 219 HE ARG 29 HE ARG 29 -5.484 8.924 -5.539 220 1HH1 ARG 29 1HH1 ARG 29 -4.757 10.631 -4.291 221 2HH1 ARG 29 2HH1 ARG 29 -5.900 11.697 -3.546 222 1HH2 ARG 29 1HH2 ARG 29 -8.669 10.051 -4.811 223 2HH2 ARG 29 2HH2 ARG 29 -8.108 11.366 -3.834 224 H GLU 30 H GLU 30 -9.730 3.493 -4.494 225 HA GLU 30 HA GLU 30 -12.118 3.127 -5.996 226 1HB GLU 30 1HB GLU 30 -10.199 1.557 -6.050 227 2HB GLU 30 2HB GLU 30 -10.558 1.073 -4.394 228 1HG GLU 30 1HG GLU 30 -12.781 0.269 -5.105 229 2HG GLU 30 2HG GLU 30 -12.428 0.756 -6.763 230 H LEU 31 H LEU 31 -11.454 2.685 -2.536 231 HA LEU 31 HA LEU 31 -13.951 1.514 -1.807 232 1HB LEU 31 1HB LEU 31 -12.458 3.513 -0.088 233 2HB LEU 31 2HB LEU 31 -13.425 2.133 0.431 234 HG LEU 31 HG LEU 31 -10.781 2.050 -1.012 235 1HD1 LEU 31 1HD1 LEU 31 -10.841 2.552 1.476 236 2HD1 LEU 31 2HD1 LEU 31 -11.542 0.949 1.700 237 3HD1 LEU 31 3HD1 LEU 31 -9.926 1.117 1.018 238 1HD2 LEU 31 1HD2 LEU 31 -12.785 -0.110 -0.324 239 2HD2 LEU 31 2HD2 LEU 31 -12.010 0.206 -1.876 240 3HD2 LEU 31 3HD2 LEU 31 -11.075 -0.480 -0.548 241 H ASP 32 H ASP 32 -12.920 4.858 -2.191 242 HA ASP 32 HA ASP 32 -15.200 6.185 -1.203 243 1HB ASP 32 1HB ASP 32 -12.991 7.179 -1.987 244 2HB ASP 32 2HB ASP 32 -13.608 7.030 -3.632 245 H LYS 33 H LYS 33 -14.591 4.716 -4.377 246 HA LYS 33 HA LYS 33 -16.931 5.665 -5.703 247 1HB LYS 33 1HB LYS 33 -15.024 4.448 -6.790 248 2HB LYS 33 2HB LYS 33 -15.574 2.964 -6.015 249 1HG LYS 33 1HG LYS 33 -17.833 3.375 -7.157 250 2HG LYS 33 2HG LYS 33 -17.014 4.609 -8.108 251 1HD LYS 33 1HD LYS 33 -16.044 1.742 -7.935 252 2HD LYS 33 2HD LYS 33 -17.143 2.309 -9.187 253 1HE LYS 33 1HE LYS 33 -14.995 2.471 -10.164 254 2HE LYS 33 2HE LYS 33 -15.376 4.121 -9.677 255 1HZ LYS 33 1HZ LYS 33 -14.081 2.525 -7.646 256 2HZ LYS 33 2HZ LYS 33 -13.126 2.819 -9.020 257 3HZ LYS 33 3HZ LYS 33 -13.770 4.119 -8.136 258 H TYR 34 H TYR 34 -16.358 2.648 -3.881 259 HA TYR 34 HA TYR 34 -19.121 1.811 -4.006 260 1HB TYR 34 1HB TYR 34 -16.813 0.953 -2.238 261 2HB TYR 34 2HB TYR 34 -18.394 0.165 -2.245 262 HD1 TYR 34 HD1 TYR 34 -15.175 0.129 -3.706 263 HD2 TYR 34 HD2 TYR 34 -19.324 -0.433 -4.669 264 HE1 TYR 34 HE1 TYR 34 -14.534 -1.154 -5.730 265 HE2 TYR 34 HE2 TYR 34 -18.681 -1.719 -6.688 266 HH TYR 34 HH TYR 34 -16.692 -1.874 -8.210 267 H GLY 35 H GLY 35 -17.182 3.618 -1.660 268 1HA GLY 35 1HA GLY 35 -19.644 4.673 -0.459 269 2HA GLY 35 2HA GLY 35 -18.000 5.161 -0.052 270 H VAL 36 H VAL 36 -16.996 2.505 0.497 271 HA VAL 36 HA VAL 36 -18.649 1.135 2.398 272 HB VAL 36 HB VAL 36 -16.692 -0.128 2.939 273 1HG1 VAL 36 1HG1 VAL 36 -17.628 -0.285 0.581 274 2HG1 VAL 36 2HG1 VAL 36 -16.297 0.755 0.073 275 3HG1 VAL 36 3HG1 VAL 36 -15.960 -0.831 0.767 276 1HG2 VAL 36 1HG2 VAL 36 -15.224 2.298 1.901 277 2HG2 VAL 36 2HG2 VAL 36 -15.051 1.495 3.460 278 3HG2 VAL 36 3HG2 VAL 36 -14.428 0.726 2.002 279 H SER 37 H SER 37 -17.360 0.880 4.753 280 HA SER 37 HA SER 37 -17.959 3.362 6.099 281 1HB SER 37 1HB SER 37 -17.308 2.216 8.117 282 2HB SER 37 2HB SER 37 -18.160 1.053 7.105 283 HG SER 37 HG SER 37 -15.489 1.172 6.573 284 H ASP 38 H ASP 38 -16.391 4.596 7.418 285 HA ASP 38 HA ASP 38 -13.899 5.064 5.910 286 1HB ASP 38 1HB ASP 38 -13.637 6.996 7.424 287 2HB ASP 38 2HB ASP 38 -15.251 6.979 6.713 288 H TYR 39 H TYR 39 -14.713 2.845 8.136 289 HA TYR 39 HA TYR 39 -12.416 3.116 9.946 290 1HB TYR 39 1HB TYR 39 -14.416 2.132 10.866 291 2HB TYR 39 2HB TYR 39 -14.513 0.964 9.549 292 HD1 TYR 39 HD1 TYR 39 -12.764 1.876 12.665 293 HD2 TYR 39 HD2 TYR 39 -13.007 -0.937 9.430 294 HE1 TYR 39 HE1 TYR 39 -11.331 0.294 13.930 295 HE2 TYR 39 HE2 TYR 39 -11.580 -2.515 10.689 296 HH TYR 39 HH TYR 39 -10.585 -2.941 12.641 297 H TYR 40 H TYR 40 -13.372 1.020 7.233 298 HA TYR 40 HA TYR 40 -11.036 -0.645 7.291 299 1HB TYR 40 1HB TYR 40 -12.901 0.029 4.995 300 2HB TYR 40 2HB TYR 40 -11.717 -1.277 4.986 301 HD1 TYR 40 HD1 TYR 40 -11.831 -2.838 7.187 302 HD2 TYR 40 HD2 TYR 40 -15.094 -0.541 5.585 303 HE1 TYR 40 HE1 TYR 40 -13.447 -4.323 8.342 304 HE2 TYR 40 HE2 TYR 40 -16.705 -2.028 6.740 305 HH TYR 40 HH TYR 40 -15.618 -4.532 8.979 306 H LYS 41 H LYS 41 -11.750 2.374 5.510 307 HA LYS 41 HA LYS 41 -9.431 2.317 3.867 308 1HB LYS 41 1HB LYS 41 -9.837 4.629 3.440 309 2HB LYS 41 2HB LYS 41 -11.429 3.919 3.702 310 1HG LYS 41 1HG LYS 41 -11.216 4.630 6.129 311 2HG LYS 41 2HG LYS 41 -9.802 5.561 5.657 312 1HD LYS 41 1HD LYS 41 -12.465 5.902 4.262 313 2HD LYS 41 2HD LYS 41 -12.052 6.811 5.712 314 1HE LYS 41 1HE LYS 41 -10.511 6.814 3.101 315 2HE LYS 41 2HE LYS 41 -11.487 8.132 3.742 316 1HZ LYS 41 1HZ LYS 41 -9.951 7.899 5.779 317 2HZ LYS 41 2HZ LYS 41 -8.901 7.109 4.702 318 3HZ LYS 41 3HZ LYS 41 -9.377 8.709 4.401 319 H ASN 42 H ASN 42 -9.976 3.384 7.174 320 HA ASN 42 HA ASN 42 -7.385 4.554 7.540 321 1HB ASN 42 1HB ASN 42 -9.399 4.915 9.037 322 2HB ASN 42 2HB ASN 42 -9.117 3.299 9.682 323 2HD2 ASN 42 2HD2 ASN 42 -8.795 4.720 11.755 324 1HD2 ASN 42 1HD2 ASN 42 -7.220 5.285 12.045 325 H LEU 43 H LEU 43 -8.673 1.298 7.893 326 HA LEU 43 HA LEU 43 -6.493 0.110 9.275 327 1HB LEU 43 1HB LEU 43 -8.657 -1.024 8.906 328 2HB LEU 43 2HB LEU 43 -8.323 -1.105 7.178 329 HG LEU 43 HG LEU 43 -6.338 -2.502 7.626 330 1HD1 LEU 43 1HD1 LEU 43 -7.130 -1.959 10.479 331 2HD1 LEU 43 2HD1 LEU 43 -6.330 -3.479 10.079 332 3HD1 LEU 43 3HD1 LEU 43 -5.527 -1.947 9.745 333 1HD2 LEU 43 1HD2 LEU 43 -8.690 -3.441 7.324 334 2HD2 LEU 43 2HD2 LEU 43 -7.535 -4.511 8.120 335 3HD2 LEU 43 3HD2 LEU 43 -8.736 -3.642 9.076 336 H ILE 44 H ILE 44 -7.046 0.617 5.798 337 HA ILE 44 HA ILE 44 -4.670 -0.729 4.914 338 HB ILE 44 HB ILE 44 -6.363 1.456 3.678 339 1HG1 ILE 44 1HG1 ILE 44 -6.087 -1.436 2.836 340 2HG1 ILE 44 2HG1 ILE 44 -7.230 -0.958 4.093 341 1HG2 ILE 44 1HG2 ILE 44 -3.977 -0.050 2.591 342 2HG2 ILE 44 2HG2 ILE 44 -5.180 0.686 1.533 343 3HG2 ILE 44 3HG2 ILE 44 -4.234 1.694 2.629 344 1HD1 ILE 44 1HD1 ILE 44 -8.208 0.691 2.487 345 2HD1 ILE 44 2HD1 ILE 44 -7.151 0.040 1.235 346 3HD1 ILE 44 3HD1 ILE 44 -8.385 -0.984 1.967 347 H ASN 45 H ASN 45 -5.332 2.646 5.801 348 HA ASN 45 HA ASN 45 -2.899 3.813 4.998 349 1HB ASN 45 1HB ASN 45 -4.655 4.386 7.400 350 2HB ASN 45 2HB ASN 45 -3.297 5.407 6.926 351 2HD2 ASN 45 2HD2 ASN 45 -6.038 6.339 6.896 352 1HD2 ASN 45 1HD2 ASN 45 -6.460 6.650 5.281 353 H ASN 46 H ASN 46 -3.610 1.751 7.755 354 HA ASN 46 HA ASN 46 -0.805 2.079 8.752 355 1HB ASN 46 1HB ASN 46 -1.602 1.073 10.822 356 2HB ASN 46 2HB ASN 46 -2.666 2.407 10.381 357 2HD2 ASN 46 2HD2 ASN 46 -4.677 1.680 11.177 358 1HD2 ASN 46 1HD2 ASN 46 -5.401 0.212 10.727 359 H ALA 47 H ALA 47 -1.904 0.374 6.404 360 HA ALA 47 HA ALA 47 -1.774 -2.373 7.070 361 1HB ALA 47 1HB ALA 47 -2.410 -1.392 4.822 362 2HB ALA 47 2HB ALA 47 -1.326 -2.781 4.737 363 3HB ALA 47 3HB ALA 47 -0.690 -1.149 4.518 364 H LYS 48 H LYS 48 -0.087 -3.770 7.446 365 HA LYS 48 HA LYS 48 2.463 -2.679 8.229 366 1HB LYS 48 1HB LYS 48 1.156 -4.924 8.893 367 2HB LYS 48 2HB LYS 48 2.147 -5.607 7.608 368 1HG LYS 48 1HG LYS 48 3.186 -4.079 10.019 369 2HG LYS 48 2HG LYS 48 3.252 -5.828 9.805 370 1HD LYS 48 1HD LYS 48 4.523 -5.315 7.610 371 2HD LYS 48 2HD LYS 48 4.729 -3.693 8.269 372 1HE LYS 48 1HE LYS 48 5.591 -6.258 9.634 373 2HE LYS 48 2HE LYS 48 6.663 -5.118 8.821 374 1HZ LYS 48 1HZ LYS 48 5.426 -3.459 10.441 375 2HZ LYS 48 2HZ LYS 48 5.273 -4.871 11.374 376 3HZ LYS 48 3HZ LYS 48 6.812 -4.315 10.916 377 H THR 49 H THR 49 1.343 -4.472 5.354 378 HA THR 49 HA THR 49 3.646 -3.369 3.855 379 HB THR 49 HB THR 49 3.121 -6.331 3.616 380 HG1 THR 49 HG1 THR 49 3.938 -6.655 5.499 381 1HG2 THR 49 1HG2 THR 49 4.579 -5.001 2.012 382 2HG2 THR 49 2HG2 THR 49 5.680 -4.739 3.364 383 3HG2 THR 49 3HG2 THR 49 5.368 -6.375 2.784 384 H VAL 50 H VAL 50 3.350 -3.611 1.506 385 HA VAL 50 HA VAL 50 0.631 -3.161 0.707 386 HB VAL 50 HB VAL 50 2.410 -2.152 -0.554 387 1HG1 VAL 50 1HG1 VAL 50 4.100 -3.939 -0.105 388 2HG1 VAL 50 2HG1 VAL 50 3.283 -4.963 -1.284 389 3HG1 VAL 50 3HG1 VAL 50 4.051 -3.462 -1.801 390 1HG2 VAL 50 1HG2 VAL 50 0.301 -2.974 -1.744 391 2HG2 VAL 50 2HG2 VAL 50 1.695 -2.661 -2.775 392 3HG2 VAL 50 3HG2 VAL 50 1.280 -4.318 -2.334 393 H GLU 51 H GLU 51 2.579 -6.046 0.920 394 HA GLU 51 HA GLU 51 1.157 -7.693 -0.919 395 1HB GLU 51 1HB GLU 51 2.565 -8.361 1.684 396 2HB GLU 51 2HB GLU 51 1.921 -9.584 0.586 397 1HG GLU 51 1HG GLU 51 3.333 -8.700 -1.233 398 2HG GLU 51 2HG GLU 51 3.980 -7.478 -0.138 399 H GLY 52 H GLY 52 0.544 -6.789 2.433 400 1HA GLY 52 1HA GLY 52 -1.289 -7.288 3.834 401 2HA GLY 52 2HA GLY 52 -1.816 -8.492 2.657 402 H VAL 53 H VAL 53 -1.124 -5.158 1.719 403 HA VAL 53 HA VAL 53 -3.737 -4.072 2.043 404 HB VAL 53 HB VAL 53 -1.560 -3.452 0.032 405 1HG1 VAL 53 1HG1 VAL 53 -4.224 -2.126 0.532 406 2HG1 VAL 53 2HG1 VAL 53 -2.863 -1.236 -0.151 407 3HG1 VAL 53 3HG1 VAL 53 -3.523 -2.630 -1.006 408 1HG2 VAL 53 1HG2 VAL 53 -2.484 -2.068 2.572 409 2HG2 VAL 53 2HG2 VAL 53 -1.004 -3.012 2.395 410 3HG2 VAL 53 3HG2 VAL 53 -1.195 -1.497 1.512 411 H LYS 54 H LYS 54 -2.271 -5.673 -0.804 412 HA LYS 54 HA LYS 54 -4.553 -5.471 -2.486 413 1HB LYS 54 1HB LYS 54 -2.317 -7.510 -2.381 414 2HB LYS 54 2HB LYS 54 -3.530 -7.470 -3.662 415 1HG LYS 54 1HG LYS 54 -2.892 -5.146 -4.197 416 2HG LYS 54 2HG LYS 54 -1.676 -5.186 -2.919 417 1HD LYS 54 1HD LYS 54 -0.526 -7.044 -4.068 418 2HD LYS 54 2HD LYS 54 -1.739 -6.999 -5.348 419 1HE LYS 54 1HE LYS 54 -1.093 -4.726 -5.943 420 2HE LYS 54 2HE LYS 54 0.040 -4.665 -4.593 421 1HZ LYS 54 1HZ LYS 54 0.305 -6.844 -6.531 422 2HZ LYS 54 2HZ LYS 54 0.827 -5.295 -6.993 423 3HZ LYS 54 3HZ LYS 54 1.500 -6.050 -5.628 424 H ALA 55 H ALA 55 -3.643 -7.966 -0.115 425 HA ALA 55 HA ALA 55 -5.905 -9.671 -0.756 426 1HB ALA 55 1HB ALA 55 -5.235 -10.953 1.204 427 2HB ALA 55 2HB ALA 55 -4.206 -9.631 1.753 428 3HB ALA 55 3HB ALA 55 -3.798 -10.513 0.282 429 H LEU 56 H LEU 56 -5.413 -6.948 1.380 430 HA LEU 56 HA LEU 56 -7.636 -7.486 3.127 431 1HB LEU 56 1HB LEU 56 -5.865 -5.893 3.760 432 2HB LEU 56 2HB LEU 56 -6.309 -4.846 2.413 433 HG LEU 56 HG LEU 56 -8.489 -4.414 3.392 434 1HD1 LEU 56 1HD1 LEU 56 -7.665 -6.578 5.321 435 2HD1 LEU 56 2HD1 LEU 56 -8.821 -5.344 5.823 436 3HD1 LEU 56 3HD1 LEU 56 -9.189 -6.386 4.453 437 1HD2 LEU 56 1HD2 LEU 56 -6.314 -3.250 4.239 438 2HD2 LEU 56 2HD2 LEU 56 -7.787 -3.042 5.182 439 3HD2 LEU 56 3HD2 LEU 56 -6.559 -4.194 5.705 440 H ILE 57 H ILE 57 -7.264 -5.668 0.114 441 HA ILE 57 HA ILE 57 -9.943 -4.634 0.050 442 HB ILE 57 HB ILE 57 -8.157 -5.360 -2.292 443 1HG1 ILE 57 1HG1 ILE 57 -6.945 -3.814 -0.867 444 2HG1 ILE 57 2HG1 ILE 57 -7.565 -2.904 -2.240 445 1HG2 ILE 57 1HG2 ILE 57 -10.527 -3.500 -2.014 446 2HG2 ILE 57 2HG2 ILE 57 -9.492 -3.585 -3.440 447 3HG2 ILE 57 3HG2 ILE 57 -10.447 -4.983 -2.960 448 1HD1 ILE 57 1HD1 ILE 57 -9.615 -2.435 -0.667 449 2HD1 ILE 57 2HD1 ILE 57 -8.496 -2.885 0.619 450 3HD1 ILE 57 3HD1 ILE 57 -8.126 -1.523 -0.437 451 H ASP 58 H ASP 58 -8.436 -7.636 -1.039 452 HA ASP 58 HA ASP 58 -10.651 -8.679 -2.498 453 1HB ASP 58 1HB ASP 58 -8.472 -10.061 -0.909 454 2HB ASP 58 2HB ASP 58 -9.632 -10.927 -1.919 455 H GLU 59 H GLU 59 -9.874 -8.815 0.971 456 HA GLU 59 HA GLU 59 -12.128 -10.496 1.639 457 1HB GLU 59 1HB GLU 59 -10.420 -8.622 3.302 458 2HB GLU 59 2HB GLU 59 -11.694 -9.635 3.983 459 1HG GLU 59 1HG GLU 59 -9.387 -10.719 2.344 460 2HG GLU 59 2HG GLU 59 -9.392 -10.659 4.106 461 H ILE 60 H ILE 60 -11.530 -7.016 1.534 462 HA ILE 60 HA ILE 60 -14.069 -6.242 2.608 463 HB ILE 60 HB ILE 60 -12.150 -4.781 0.777 464 1HG1 ILE 60 1HG1 ILE 60 -12.685 -4.445 3.742 465 2HG1 ILE 60 2HG1 ILE 60 -11.391 -5.457 3.103 466 1HG2 ILE 60 1HG2 ILE 60 -14.641 -3.860 2.230 467 2HG2 ILE 60 2HG2 ILE 60 -13.402 -2.745 1.653 468 3HG2 ILE 60 3HG2 ILE 60 -14.295 -3.741 0.504 469 1HD1 ILE 60 1HD1 ILE 60 -11.684 -2.549 2.325 470 2HD1 ILE 60 2HD1 ILE 60 -10.750 -3.053 3.733 471 3HD1 ILE 60 3HD1 ILE 60 -10.278 -3.593 2.121 472 H LEU 61 H LEU 61 -12.903 -6.644 -0.741 473 HA LEU 61 HA LEU 61 -15.455 -5.981 -1.926 474 1HB LEU 61 1HB LEU 61 -13.043 -7.477 -2.996 475 2HB LEU 61 2HB LEU 61 -14.466 -7.118 -3.974 476 HG LEU 61 HG LEU 61 -12.753 -5.047 -2.563 477 1HD1 LEU 61 1HD1 LEU 61 -11.653 -6.262 -4.480 478 2HD1 LEU 61 2HD1 LEU 61 -12.953 -5.686 -5.521 479 3HD1 LEU 61 3HD1 LEU 61 -11.861 -4.531 -4.759 480 1HD2 LEU 61 1HD2 LEU 61 -15.287 -4.928 -4.179 481 2HD2 LEU 61 2HD2 LEU 61 -14.787 -3.944 -2.803 482 3HD2 LEU 61 3HD2 LEU 61 -14.114 -3.630 -4.397 483 H ALA 62 H ALA 62 -13.902 -9.011 -0.952 484 HA ALA 62 HA ALA 62 -15.829 -10.792 -2.052 485 1HB ALA 62 1HB ALA 62 -14.210 -11.097 0.496 486 2HB ALA 62 2HB ALA 62 -15.017 -12.404 -0.370 487 3HB ALA 62 3HB ALA 62 -13.670 -11.549 -1.121 488 H ALA 63 H ALA 63 -15.763 -9.067 1.060 489 HA ALA 63 HA ALA 63 -18.029 -10.337 2.221 490 1HB ALA 63 1HB ALA 63 -16.407 -8.828 3.411 491 2HB ALA 63 2HB ALA 63 -17.186 -7.457 2.621 492 3HB ALA 63 3HB ALA 63 -18.100 -8.462 3.744 493 H LEU 64 H LEU 64 -17.925 -7.161 0.532 494 HA LEU 64 HA LEU 64 -20.795 -6.945 0.500 495 1HB LEU 64 1HB LEU 64 -20.449 -4.947 -0.789 496 2HB LEU 64 2HB LEU 64 -19.095 -5.058 0.320 497 HG LEU 64 HG LEU 64 -17.878 -6.308 -1.607 498 1HD1 LEU 64 1HD1 LEU 64 -20.383 -5.645 -2.945 499 2HD1 LEU 64 2HD1 LEU 64 -19.033 -4.861 -3.764 500 3HD1 LEU 64 3HD1 LEU 64 -19.030 -6.603 -3.527 501 1HD2 LEU 64 1HD2 LEU 64 -18.490 -3.342 -1.793 502 2HD2 LEU 64 2HD2 LEU 64 -17.251 -4.082 -0.780 503 3HD2 LEU 64 3HD2 LEU 64 -17.107 -4.143 -2.536 504 HA PRO 65 HA PRO 65 -21.986 -9.615 -2.866 505 1HB PRO 65 1HB PRO 65 -23.251 -7.326 -4.268 506 2HB PRO 65 2HB PRO 65 -23.985 -8.818 -3.667 507 1HG PRO 65 1HG PRO 65 -24.215 -6.279 -2.479 508 2HG PRO 65 2HG PRO 65 -24.633 -7.818 -1.718 509 1HD PRO 65 1HD PRO 65 -22.440 -6.039 -1.043 510 2HD PRO 65 2HD PRO 65 -22.897 -7.562 -0.246 No H/Q in entry = 510 Start of MODEL 18 1 H1 MET 1 H1 MET 1 21.367 -4.956 -27.854 2 H2 MET 1 H2 MET 1 21.680 -6.554 -27.367 3 H3 MET 1 H3 MET 1 20.081 -6.034 -27.590 4 HA MET 1 HA MET 1 19.942 -5.120 -25.572 5 1HB MET 1 1HB MET 1 22.503 -6.729 -25.312 6 2HB MET 1 2HB MET 1 21.604 -6.083 -23.940 7 1HG MET 1 1HG MET 1 20.816 -8.306 -24.163 8 2HG MET 1 2HG MET 1 19.564 -7.326 -24.922 9 1HE MET 1 1HE MET 1 18.997 -9.791 -25.620 10 2HE MET 1 2HE MET 1 18.459 -8.678 -26.875 11 3HE MET 1 3HE MET 1 19.260 -10.192 -27.316 12 H LYS 2 H LYS 2 20.596 -3.367 -24.247 13 HA LYS 2 HA LYS 2 22.364 -1.454 -25.489 14 1HB LYS 2 1HB LYS 2 21.144 -1.533 -22.712 15 2HB LYS 2 2HB LYS 2 21.993 -0.144 -23.383 16 1HG LYS 2 1HG LYS 2 19.656 -1.381 -24.842 17 2HG LYS 2 2HG LYS 2 19.397 -0.202 -23.559 18 1HD LYS 2 1HD LYS 2 20.953 1.362 -24.803 19 2HD LYS 2 2HD LYS 2 20.935 0.214 -26.139 20 1HE LYS 2 1HE LYS 2 18.484 1.539 -24.946 21 2HE LYS 2 2HE LYS 2 19.262 2.009 -26.457 22 1HZ LYS 2 1HZ LYS 2 18.836 -0.740 -26.555 23 2HZ LYS 2 2HZ LYS 2 17.388 -0.040 -26.014 24 3HZ LYS 2 3HZ LYS 2 18.079 0.466 -27.481 25 H ALA 3 H ALA 3 24.491 -0.939 -24.977 26 HA ALA 3 HA ALA 3 25.985 -2.966 -23.451 27 1HB ALA 3 1HB ALA 3 27.111 -0.433 -24.663 28 2HB ALA 3 2HB ALA 3 27.949 -1.949 -24.331 29 3HB ALA 3 3HB ALA 3 26.768 -1.862 -25.638 30 H ILE 4 H ILE 4 28.008 -1.417 -22.318 31 HA ILE 4 HA ILE 4 26.867 -0.659 -19.822 32 HB ILE 4 HB ILE 4 29.261 -1.260 -20.130 33 1HG1 ILE 4 1HG1 ILE 4 28.877 1.549 -19.047 34 2HG1 ILE 4 2HG1 ILE 4 28.475 0.077 -18.163 35 1HG2 ILE 4 1HG2 ILE 4 29.421 0.103 -22.300 36 2HG2 ILE 4 2HG2 ILE 4 29.616 1.519 -21.267 37 3HG2 ILE 4 3HG2 ILE 4 30.796 0.210 -21.202 38 1HD1 ILE 4 1HD1 ILE 4 30.842 -0.670 -18.395 39 2HD1 ILE 4 2HD1 ILE 4 31.221 0.867 -19.173 40 3HD1 ILE 4 3HD1 ILE 4 30.695 0.837 -17.490 41 H PHE 5 H PHE 5 27.778 1.262 -22.672 42 HA PHE 5 HA PHE 5 27.222 3.818 -21.472 43 1HB PHE 5 1HB PHE 5 27.267 2.903 -24.362 44 2HB PHE 5 2HB PHE 5 27.058 4.586 -23.877 45 HD1 PHE 5 HD1 PHE 5 28.883 5.841 -22.836 46 HD2 PHE 5 HD2 PHE 5 29.389 1.743 -24.017 47 HE1 PHE 5 HE1 PHE 5 31.339 6.073 -22.584 48 HE2 PHE 5 HE2 PHE 5 31.846 1.974 -23.765 49 HZ PHE 5 HZ PHE 5 32.821 4.138 -23.048 50 H VAL 6 H VAL 6 25.301 4.943 -21.330 51 HA VAL 6 HA VAL 6 22.849 3.740 -22.559 52 HB VAL 6 HB VAL 6 21.672 4.375 -20.388 53 1HG1 VAL 6 1HG1 VAL 6 23.804 2.220 -20.428 54 2HG1 VAL 6 2HG1 VAL 6 22.556 2.329 -19.186 55 3HG1 VAL 6 3HG1 VAL 6 22.106 2.049 -20.868 56 1HG2 VAL 6 1HG2 VAL 6 23.706 5.810 -19.677 57 2HG2 VAL 6 2HG2 VAL 6 22.963 4.802 -18.438 58 3HG2 VAL 6 3HG2 VAL 6 24.460 4.284 -19.215 59 H LEU 7 H LEU 7 21.081 5.328 -22.756 60 HA LEU 7 HA LEU 7 22.040 7.889 -23.677 61 1HB LEU 7 1HB LEU 7 19.364 8.308 -23.528 62 2HB LEU 7 2HB LEU 7 20.099 7.375 -24.827 63 HG LEU 7 HG LEU 7 19.356 5.923 -22.295 64 1HD1 LEU 7 1HD1 LEU 7 17.399 6.805 -24.435 65 2HD1 LEU 7 2HD1 LEU 7 17.070 5.532 -23.258 66 3HD1 LEU 7 3HD1 LEU 7 17.337 7.190 -22.715 67 1HD2 LEU 7 1HD2 LEU 7 20.546 4.977 -24.437 68 2HD2 LEU 7 2HD2 LEU 7 19.237 4.046 -23.712 69 3HD2 LEU 7 3HD2 LEU 7 18.935 5.023 -25.150 70 H ASN 8 H ASN 8 20.351 6.832 -20.730 71 HA ASN 8 HA ASN 8 20.171 9.551 -19.679 72 1HB ASN 8 1HB ASN 8 19.369 8.445 -17.621 73 2HB ASN 8 2HB ASN 8 18.525 7.825 -19.040 74 2HD2 ASN 8 2HD2 ASN 8 18.598 6.198 -16.761 75 1HD2 ASN 8 1HD2 ASN 8 19.637 4.883 -17.027 76 H ALA 9 H ALA 9 21.287 10.204 -17.659 77 HA ALA 9 HA ALA 9 24.123 9.415 -17.747 78 1HB ALA 9 1HB ALA 9 24.306 11.195 -15.932 79 2HB ALA 9 2HB ALA 9 23.720 11.766 -17.496 80 3HB ALA 9 3HB ALA 9 22.585 11.494 -16.172 81 H GLN 10 H GLN 10 21.305 8.596 -15.980 82 HA GLN 10 HA GLN 10 22.825 6.730 -14.317 83 1HB GLN 10 1HB GLN 10 21.981 7.618 -12.171 84 2HB GLN 10 2HB GLN 10 22.999 8.805 -12.988 85 1HG GLN 10 1HG GLN 10 20.891 9.808 -13.961 86 2HG GLN 10 2HG GLN 10 19.972 8.742 -12.897 87 2HE2 GLN 10 2HE2 GLN 10 19.158 10.280 -11.399 88 1HE2 GLN 10 1HE2 GLN 10 20.150 11.267 -10.438 89 H HIS 11 H HIS 11 21.329 5.272 -13.121 90 HA HIS 11 HA HIS 11 18.690 5.070 -14.523 91 1HB HIS 11 1HB HIS 11 18.733 2.712 -13.745 92 2HB HIS 11 2HB HIS 11 20.146 3.106 -14.725 93 HD1 HIS 11 HD1 HIS 11 21.131 4.810 -11.951 94 HD2 HIS 11 HD2 HIS 11 20.590 0.720 -12.547 95 HE1 HIS 11 HE1 HIS 11 22.514 3.640 -10.182 96 H ASP 12 H ASP 12 17.134 6.077 -13.333 97 HA ASP 12 HA ASP 12 16.436 5.087 -10.715 98 1HB ASP 12 1HB ASP 12 16.809 7.166 -9.438 99 2HB ASP 12 2HB ASP 12 18.335 6.524 -10.046 100 H GLU 13 H GLU 13 14.240 5.145 -10.883 101 HA GLU 13 HA GLU 13 12.944 7.641 -11.889 102 1HB GLU 13 1HB GLU 13 12.270 4.836 -12.835 103 2HB GLU 13 2HB GLU 13 11.378 6.296 -13.253 104 1HG GLU 13 1HG GLU 13 14.303 5.806 -13.894 105 2HG GLU 13 2HG GLU 13 12.974 5.643 -15.039 106 H ALA 14 H ALA 14 11.549 4.454 -11.184 107 HA ALA 14 HA ALA 14 9.662 5.685 -9.323 108 1HB ALA 14 1HB ALA 14 8.773 3.379 -9.100 109 2HB ALA 14 2HB ALA 14 10.124 2.780 -10.063 110 3HB ALA 14 3HB ALA 14 8.934 3.860 -10.789 111 H VAL 15 H VAL 15 9.397 4.948 -7.090 112 HA VAL 15 HA VAL 15 11.884 3.849 -5.826 113 HB VAL 15 HB VAL 15 11.512 5.468 -3.949 114 1HG1 VAL 15 1HG1 VAL 15 13.151 5.901 -5.779 115 2HG1 VAL 15 2HG1 VAL 15 11.897 6.773 -6.660 116 3HG1 VAL 15 3HG1 VAL 15 12.477 7.388 -5.112 117 1HG2 VAL 15 1HG2 VAL 15 9.524 6.656 -5.912 118 2HG2 VAL 15 2HG2 VAL 15 9.138 5.937 -4.348 119 3HG2 VAL 15 3HG2 VAL 15 10.063 7.437 -4.425 120 H ASP 16 H ASP 16 11.476 2.436 -4.118 121 HA ASP 16 HA ASP 16 8.840 1.269 -3.975 122 1HB ASP 16 1HB ASP 16 11.320 0.916 -2.273 123 2HB ASP 16 2HB ASP 16 9.845 -0.023 -2.041 124 H ALA 17 H ALA 17 10.427 3.832 -2.248 125 HA ALA 17 HA ALA 17 8.976 3.762 0.195 126 1HB ALA 17 1HB ALA 17 10.974 5.261 -0.499 127 2HB ALA 17 2HB ALA 17 9.745 5.965 0.551 128 3HB ALA 17 3HB ALA 17 9.751 6.338 -1.173 129 H ASN 18 H ASN 18 8.227 5.542 -2.825 130 HA ASN 18 HA ASN 18 5.615 6.360 -1.773 131 1HB ASN 18 1HB ASN 18 6.904 6.640 -4.500 132 2HB ASN 18 2HB ASN 18 5.311 7.281 -4.100 133 2HD2 ASN 18 2HD2 ASN 18 5.571 8.441 -1.655 134 1HD2 ASN 18 1HD2 ASN 18 6.797 9.616 -1.647 135 H SER 19 H SER 19 6.828 3.566 -3.313 136 HA SER 19 HA SER 19 4.653 2.847 -4.993 137 1HB SER 19 1HB SER 19 6.539 1.120 -3.377 138 2HB SER 19 2HB SER 19 5.408 0.486 -4.569 139 HG SER 19 HG SER 19 6.766 1.070 -6.053 140 H LEU 20 H LEU 20 5.136 2.231 -1.496 141 HA LEU 20 HA LEU 20 2.642 0.786 -1.240 142 1HB LEU 20 1HB LEU 20 4.741 1.820 0.591 143 2HB LEU 20 2HB LEU 20 3.134 1.790 1.306 144 HG LEU 20 HG LEU 20 2.992 -0.643 0.473 145 1HD1 LEU 20 1HD1 LEU 20 5.048 -0.296 -1.033 146 2HD1 LEU 20 2HD1 LEU 20 6.004 -0.412 0.444 147 3HD1 LEU 20 3HD1 LEU 20 5.010 -1.775 -0.072 148 1HD2 LEU 20 1HD2 LEU 20 5.036 0.109 2.577 149 2HD2 LEU 20 2HD2 LEU 20 3.293 -0.017 2.827 150 3HD2 LEU 20 3HD2 LEU 20 4.236 -1.455 2.438 151 H ALA 21 H ALA 21 3.598 4.168 -0.791 152 HA ALA 21 HA ALA 21 1.151 5.096 0.282 153 1HB ALA 21 1HB ALA 21 3.063 6.557 -1.563 154 2HB ALA 21 2HB ALA 21 3.213 6.464 0.192 155 3HB ALA 21 3HB ALA 21 1.847 7.313 -0.534 156 H GLU 22 H GLU 22 2.240 4.966 -3.125 157 HA GLU 22 HA GLU 22 -0.200 5.946 -4.238 158 1HB GLU 22 1HB GLU 22 1.896 5.753 -5.537 159 2HB GLU 22 2HB GLU 22 1.788 3.995 -5.440 160 1HG GLU 22 1HG GLU 22 -0.304 4.009 -6.684 161 2HG GLU 22 2HG GLU 22 -0.318 5.773 -6.702 162 H ALA 23 H ALA 23 0.891 2.648 -3.486 163 HA ALA 23 HA ALA 23 -1.363 1.274 -4.546 164 1HB ALA 23 1HB ALA 23 -0.708 -0.551 -2.999 165 2HB ALA 23 2HB ALA 23 0.385 0.558 -2.174 166 3HB ALA 23 3HB ALA 23 0.686 0.111 -3.852 167 H LYS 24 H LYS 24 -0.752 2.543 -1.259 168 HA LYS 24 HA LYS 24 -3.331 1.725 -0.251 169 1HB LYS 24 1HB LYS 24 -1.389 3.845 0.730 170 2HB LYS 24 2HB LYS 24 -2.819 3.316 1.619 171 1HG LYS 24 1HG LYS 24 -1.944 1.002 1.656 172 2HG LYS 24 2HG LYS 24 -0.512 1.526 0.771 173 1HD LYS 24 1HD LYS 24 -0.079 3.174 2.654 174 2HD LYS 24 2HD LYS 24 -1.361 2.362 3.553 175 1HE LYS 24 1HE LYS 24 1.362 1.356 2.811 176 2HE LYS 24 2HE LYS 24 0.460 1.139 4.311 177 1HZ LYS 24 1HZ LYS 24 -1.116 -0.234 2.825 178 2HZ LYS 24 2HZ LYS 24 0.204 -0.316 1.762 179 3HZ LYS 24 3HZ LYS 24 0.345 -0.930 3.340 180 H VAL 25 H VAL 25 -2.072 4.731 -1.675 181 HA VAL 25 HA VAL 25 -4.432 6.300 -1.272 182 HB VAL 25 HB VAL 25 -2.236 6.466 -3.338 183 1HG1 VAL 25 1HG1 VAL 25 -4.570 8.315 -2.819 184 2HG1 VAL 25 2HG1 VAL 25 -3.111 8.830 -3.666 185 3HG1 VAL 25 3HG1 VAL 25 -4.121 7.553 -4.344 186 1HG2 VAL 25 1HG2 VAL 25 -1.866 6.895 -0.786 187 2HG2 VAL 25 2HG2 VAL 25 -1.261 8.088 -1.935 188 3HG2 VAL 25 3HG2 VAL 25 -2.769 8.381 -1.070 189 H LEU 26 H LEU 26 -3.336 4.383 -4.094 190 HA LEU 26 HA LEU 26 -5.686 4.858 -5.664 191 1HB LEU 26 1HB LEU 26 -3.704 2.562 -5.665 192 2HB LEU 26 2HB LEU 26 -4.988 2.732 -6.860 193 HG LEU 26 HG LEU 26 -2.804 4.773 -6.333 194 1HD1 LEU 26 1HD1 LEU 26 -2.056 2.620 -7.389 195 2HD1 LEU 26 2HD1 LEU 26 -3.198 2.917 -8.699 196 3HD1 LEU 26 3HD1 LEU 26 -1.851 4.023 -8.439 197 1HD2 LEU 26 1HD2 LEU 26 -5.237 4.723 -8.107 198 2HD2 LEU 26 2HD2 LEU 26 -4.516 6.075 -7.233 199 3HD2 LEU 26 3HD2 LEU 26 -3.774 5.498 -8.720 200 H ALA 27 H ALA 27 -4.843 2.299 -3.349 201 HA ALA 27 HA ALA 27 -7.271 0.795 -3.717 202 1HB ALA 27 1HB ALA 27 -5.383 -0.264 -2.624 203 2HB ALA 27 2HB ALA 27 -5.346 0.983 -1.377 204 3HB ALA 27 3HB ALA 27 -6.691 -0.156 -1.446 205 H ASN 28 H ASN 28 -6.303 3.420 -1.559 206 HA ASN 28 HA ASN 28 -8.624 3.494 0.084 207 1HB ASN 28 1HB ASN 28 -6.546 4.764 0.551 208 2HB ASN 28 2HB ASN 28 -6.869 5.790 -0.846 209 2HD2 ASN 28 2HD2 ASN 28 -7.957 4.994 2.429 210 1HD2 ASN 28 1HD2 ASN 28 -8.962 6.350 2.615 211 H ARG 29 H ARG 29 -7.921 4.990 -3.058 212 HA ARG 29 HA ARG 29 -10.281 6.562 -3.288 213 1HB ARG 29 1HB ARG 29 -8.557 5.220 -5.381 214 2HB ARG 29 2HB ARG 29 -9.882 6.304 -5.788 215 1HG ARG 29 1HG ARG 29 -7.698 7.146 -3.880 216 2HG ARG 29 2HG ARG 29 -7.486 7.307 -5.619 217 1HD ARG 29 1HD ARG 29 -9.754 8.558 -5.588 218 2HD ARG 29 2HD ARG 29 -9.527 8.676 -3.848 219 HE ARG 29 HE ARG 29 -8.296 10.320 -5.838 220 1HH1 ARG 29 1HH1 ARG 29 -6.404 11.463 -5.503 221 2HH1 ARG 29 2HH1 ARG 29 -5.406 11.087 -4.139 222 1HH2 ARG 29 1HH2 ARG 29 -7.488 8.589 -2.960 223 2HH2 ARG 29 2HH2 ARG 29 -6.015 9.458 -2.709 224 H GLU 30 H GLU 30 -9.674 3.156 -4.081 225 HA GLU 30 HA GLU 30 -12.117 2.641 -5.436 226 1HB GLU 30 1HB GLU 30 -10.226 1.052 -5.381 227 2HB GLU 30 2HB GLU 30 -10.512 0.776 -3.662 228 1HG GLU 30 1HG GLU 30 -12.674 -0.178 -4.091 229 2HG GLU 30 2HG GLU 30 -12.612 0.303 -5.789 230 H LEU 31 H LEU 31 -11.362 2.514 -1.944 231 HA LEU 31 HA LEU 31 -13.954 1.548 -1.133 232 1HB LEU 31 1HB LEU 31 -12.194 3.434 0.466 233 2HB LEU 31 2HB LEU 31 -13.333 2.234 1.081 234 HG LEU 31 HG LEU 31 -10.779 1.676 -0.435 235 1HD1 LEU 31 1HD1 LEU 31 -11.615 1.246 2.450 236 2HD1 LEU 31 2HD1 LEU 31 -10.153 0.561 1.737 237 3HD1 LEU 31 3HD1 LEU 31 -10.339 2.311 1.860 238 1HD2 LEU 31 1HD2 LEU 31 -13.055 -0.088 0.488 239 2HD2 LEU 31 2HD2 LEU 31 -12.252 -0.055 -1.083 240 3HD2 LEU 31 3HD2 LEU 31 -11.426 -0.740 0.314 241 H ASP 32 H ASP 32 -12.537 4.754 -1.475 242 HA ASP 32 HA ASP 32 -14.782 6.303 -0.686 243 1HB ASP 32 1HB ASP 32 -12.500 7.202 -0.977 244 2HB ASP 32 2HB ASP 32 -12.614 6.925 -2.713 245 H LYS 33 H LYS 33 -13.815 4.937 -3.806 246 HA LYS 33 HA LYS 33 -15.812 6.153 -5.423 247 1HB LYS 33 1HB LYS 33 -13.894 4.930 -6.349 248 2HB LYS 33 2HB LYS 33 -14.502 3.426 -5.662 249 1HG LYS 33 1HG LYS 33 -16.482 3.525 -7.073 250 2HG LYS 33 2HG LYS 33 -16.004 5.109 -7.687 251 1HD LYS 33 1HD LYS 33 -14.166 4.228 -8.884 252 2HD LYS 33 2HD LYS 33 -14.172 2.722 -7.964 253 1HE LYS 33 1HE LYS 33 -16.112 1.928 -9.061 254 2HE LYS 33 2HE LYS 33 -16.512 3.525 -9.696 255 1HZ LYS 33 1HZ LYS 33 -13.905 2.666 -10.486 256 2HZ LYS 33 2HZ LYS 33 -15.104 1.579 -10.993 257 3HZ LYS 33 3HZ LYS 33 -15.199 3.214 -11.442 258 H TYR 34 H TYR 34 -15.857 2.980 -3.742 259 HA TYR 34 HA TYR 34 -18.612 2.455 -4.444 260 1HB TYR 34 1HB TYR 34 -16.801 1.285 -2.320 261 2HB TYR 34 2HB TYR 34 -18.449 0.722 -2.597 262 HD1 TYR 34 HD1 TYR 34 -15.083 0.165 -3.461 263 HD2 TYR 34 HD2 TYR 34 -19.020 0.281 -5.183 264 HE1 TYR 34 HE1 TYR 34 -14.309 -1.257 -5.342 265 HE2 TYR 34 HE2 TYR 34 -18.239 -1.136 -7.060 266 HH TYR 34 HH TYR 34 -15.793 -2.989 -7.071 267 H GLY 35 H GLY 35 -17.022 4.106 -1.780 268 1HA GLY 35 1HA GLY 35 -19.658 5.127 -0.891 269 2HA GLY 35 2HA GLY 35 -18.083 5.743 -0.386 270 H VAL 36 H VAL 36 -17.059 3.024 0.211 271 HA VAL 36 HA VAL 36 -18.765 1.767 2.158 272 HB VAL 36 HB VAL 36 -15.751 1.610 2.293 273 1HG1 VAL 36 1HG1 VAL 36 -17.997 -0.411 2.601 274 2HG1 VAL 36 2HG1 VAL 36 -16.279 -0.766 2.786 275 3HG1 VAL 36 3HG1 VAL 36 -17.080 0.325 3.916 276 1HG2 VAL 36 1HG2 VAL 36 -17.576 0.523 0.138 277 2HG2 VAL 36 2HG2 VAL 36 -16.089 1.451 -0.060 278 3HG2 VAL 36 3HG2 VAL 36 -16.017 -0.218 0.503 279 H SER 37 H SER 37 -18.086 1.652 4.554 280 HA SER 37 HA SER 37 -18.297 4.221 5.726 281 1HB SER 37 1HB SER 37 -18.893 2.137 6.912 282 2HB SER 37 2HB SER 37 -17.196 1.680 6.965 283 HG SER 37 HG SER 37 -17.909 4.203 7.918 284 H ASP 38 H ASP 38 -16.790 5.671 6.493 285 HA ASP 38 HA ASP 38 -14.212 5.772 5.317 286 1HB ASP 38 1HB ASP 38 -15.517 7.710 6.296 287 2HB ASP 38 2HB ASP 38 -15.026 7.144 7.892 288 H TYR 39 H TYR 39 -15.314 3.993 8.034 289 HA TYR 39 HA TYR 39 -12.969 3.889 9.636 290 1HB TYR 39 1HB TYR 39 -15.075 2.959 10.426 291 2HB TYR 39 2HB TYR 39 -15.082 1.775 9.118 292 HD1 TYR 39 HD1 TYR 39 -13.575 2.716 12.340 293 HD2 TYR 39 HD2 TYR 39 -13.510 -0.090 9.091 294 HE1 TYR 39 HE1 TYR 39 -12.190 1.171 13.700 295 HE2 TYR 39 HE2 TYR 39 -12.132 -1.633 10.445 296 HH TYR 39 HH TYR 39 -10.677 -1.626 12.330 297 H TYR 40 H TYR 40 -13.955 1.812 6.899 298 HA TYR 40 HA TYR 40 -11.702 0.080 6.974 299 1HB TYR 40 1HB TYR 40 -13.380 0.959 4.606 300 2HB TYR 40 2HB TYR 40 -12.251 -0.397 4.593 301 HD1 TYR 40 HD1 TYR 40 -15.531 0.776 5.619 302 HD2 TYR 40 HD2 TYR 40 -12.649 -2.368 6.097 303 HE1 TYR 40 HE1 TYR 40 -17.287 -0.682 6.592 304 HE2 TYR 40 HE2 TYR 40 -14.402 -3.829 7.069 305 HH TYR 40 HH TYR 40 -16.608 -3.494 8.277 306 H LYS 41 H LYS 41 -12.074 3.311 5.577 307 HA LYS 41 HA LYS 41 -9.760 3.261 3.907 308 1HB LYS 41 1HB LYS 41 -11.142 5.535 5.359 309 2HB LYS 41 2HB LYS 41 -9.818 5.771 4.218 310 1HG LYS 41 1HG LYS 41 -11.109 4.702 2.439 311 2HG LYS 41 2HG LYS 41 -12.412 4.345 3.570 312 1HD LYS 41 1HD LYS 41 -13.054 6.326 2.352 313 2HD LYS 41 2HD LYS 41 -12.627 6.828 3.986 314 1HE LYS 41 1HE LYS 41 -10.577 7.759 3.301 315 2HE LYS 41 2HE LYS 41 -10.565 6.857 1.786 316 1HZ LYS 41 1HZ LYS 41 -12.566 8.942 2.455 317 2HZ LYS 41 2HZ LYS 41 -11.159 9.235 1.549 318 3HZ LYS 41 3HZ LYS 41 -12.348 8.175 0.958 319 H ASN 42 H ASN 42 -10.220 4.101 7.309 320 HA ASN 42 HA ASN 42 -7.531 4.930 7.786 321 1HB ASN 42 1HB ASN 42 -9.456 5.361 9.333 322 2HB ASN 42 2HB ASN 42 -9.448 3.648 9.753 323 2HD2 ASN 42 2HD2 ASN 42 -8.735 3.876 11.945 324 1HD2 ASN 42 1HD2 ASN 42 -7.208 4.492 12.356 325 H LEU 43 H LEU 43 -9.126 1.798 7.833 326 HA LEU 43 HA LEU 43 -7.031 0.304 9.039 327 1HB LEU 43 1HB LEU 43 -9.305 -0.586 8.698 328 2HB LEU 43 2HB LEU 43 -9.057 -0.568 6.956 329 HG LEU 43 HG LEU 43 -7.206 -2.183 7.196 330 1HD1 LEU 43 1HD1 LEU 43 -7.814 -1.778 10.124 331 2HD1 LEU 43 2HD1 LEU 43 -7.171 -3.328 9.575 332 3HD1 LEU 43 3HD1 LEU 43 -6.247 -1.852 9.315 333 1HD2 LEU 43 1HD2 LEU 43 -9.806 -2.965 8.552 334 2HD2 LEU 43 2HD2 LEU 43 -9.452 -3.060 6.827 335 3HD2 LEU 43 3HD2 LEU 43 -8.609 -4.116 7.960 336 H ILE 44 H ILE 44 -7.607 1.225 5.640 337 HA ILE 44 HA ILE 44 -5.481 -0.301 4.489 338 HB ILE 44 HB ILE 44 -6.385 2.464 3.616 339 1HG1 ILE 44 1HG1 ILE 44 -8.380 1.129 3.748 340 2HG1 ILE 44 2HG1 ILE 44 -7.905 1.165 2.054 341 1HG2 ILE 44 1HG2 ILE 44 -5.105 0.135 2.153 342 2HG2 ILE 44 2HG2 ILE 44 -5.693 1.602 1.372 343 3HG2 ILE 44 3HG2 ILE 44 -4.354 1.687 2.515 344 1HD1 ILE 44 1HD1 ILE 44 -6.642 -1.035 2.566 345 2HD1 ILE 44 2HD1 ILE 44 -7.619 -1.087 4.031 346 3HD1 ILE 44 3HD1 ILE 44 -8.400 -1.105 2.455 347 H ASN 45 H ASN 45 -5.556 2.934 5.949 348 HA ASN 45 HA ASN 45 -2.861 3.658 5.397 349 1HB ASN 45 1HB ASN 45 -4.713 4.406 7.680 350 2HB ASN 45 2HB ASN 45 -3.118 5.131 7.454 351 2HD2 ASN 45 2HD2 ASN 45 -5.608 6.624 7.281 352 1HD2 ASN 45 1HD2 ASN 45 -5.751 7.192 5.688 353 H ASN 46 H ASN 46 -4.276 1.811 8.072 354 HA ASN 46 HA ASN 46 -1.837 1.586 9.580 355 1HB ASN 46 1HB ASN 46 -4.169 1.225 10.468 356 2HB ASN 46 2HB ASN 46 -4.194 -0.314 9.607 357 2HD2 ASN 46 2HD2 ASN 46 -4.428 -1.131 11.971 358 1HD2 ASN 46 1HD2 ASN 46 -2.993 -1.424 12.829 359 H ALA 47 H ALA 47 -2.724 0.134 6.625 360 HA ALA 47 HA ALA 47 -1.709 -2.495 6.878 361 1HB ALA 47 1HB ALA 47 -1.727 -0.585 4.538 362 2HB ALA 47 2HB ALA 47 -1.122 -2.234 4.397 363 3HB ALA 47 3HB ALA 47 -2.805 -1.946 4.840 364 H LYS 48 H LYS 48 0.322 -3.358 6.955 365 HA LYS 48 HA LYS 48 2.609 -1.466 7.187 366 1HB LYS 48 1HB LYS 48 2.255 -4.374 7.973 367 2HB LYS 48 2HB LYS 48 3.772 -3.497 8.142 368 1HG LYS 48 1HG LYS 48 1.225 -2.423 9.353 369 2HG LYS 48 2HG LYS 48 2.186 -3.627 10.205 370 1HD LYS 48 1HD LYS 48 4.183 -2.089 9.937 371 2HD LYS 48 2HD LYS 48 3.072 -0.859 9.336 372 1HE LYS 48 1HE LYS 48 1.816 -0.907 11.418 373 2HE LYS 48 2HE LYS 48 2.810 -2.234 12.022 374 1HZ LYS 48 1HZ LYS 48 4.746 -0.795 11.896 375 2HZ LYS 48 2HZ LYS 48 3.784 0.483 11.322 376 3HZ LYS 48 3HZ LYS 48 3.557 -0.114 12.896 377 H THR 49 H THR 49 1.313 -3.879 5.050 378 HA THR 49 HA THR 49 3.699 -3.546 3.297 379 HB THR 49 HB THR 49 4.113 -5.613 4.540 380 HG1 THR 49 HG1 THR 49 3.972 -5.366 1.948 381 1HG2 THR 49 1HG2 THR 49 1.777 -6.107 5.146 382 2HG2 THR 49 2HG2 THR 49 1.422 -6.491 3.463 383 3HG2 THR 49 3HG2 THR 49 2.540 -7.499 4.376 384 H VAL 50 H VAL 50 3.240 -3.794 1.075 385 HA VAL 50 HA VAL 50 0.538 -3.178 0.274 386 HB VAL 50 HB VAL 50 2.493 -2.378 -0.974 387 1HG1 VAL 50 1HG1 VAL 50 3.824 -4.498 -0.620 388 2HG1 VAL 50 2HG1 VAL 50 2.836 -5.244 -1.877 389 3HG1 VAL 50 3HG1 VAL 50 3.873 -3.872 -2.268 390 1HG2 VAL 50 1HG2 VAL 50 0.246 -2.742 -2.086 391 2HG2 VAL 50 2HG2 VAL 50 1.623 -2.758 -3.188 392 3HG2 VAL 50 3HG2 VAL 50 0.875 -4.275 -2.689 393 H GLU 51 H GLU 51 2.371 -6.184 0.444 394 HA GLU 51 HA GLU 51 0.763 -7.729 -1.321 395 1HB GLU 51 1HB GLU 51 2.877 -8.573 -0.324 396 2HB GLU 51 2HB GLU 51 2.095 -8.633 1.257 397 1HG GLU 51 1HG GLU 51 0.446 -10.249 0.393 398 2HG GLU 51 2HG GLU 51 1.206 -10.180 -1.197 399 H GLY 52 H GLY 52 0.370 -6.866 2.078 400 1HA GLY 52 1HA GLY 52 -1.462 -7.146 3.526 401 2HA GLY 52 2HA GLY 52 -2.074 -8.386 2.428 402 H VAL 53 H VAL 53 -1.268 -5.126 1.314 403 HA VAL 53 HA VAL 53 -3.838 -3.938 1.640 404 HB VAL 53 HB VAL 53 -1.680 -3.463 -0.438 405 1HG1 VAL 53 1HG1 VAL 53 -4.250 -1.968 0.128 406 2HG1 VAL 53 2HG1 VAL 53 -2.888 -1.240 -0.722 407 3HG1 VAL 53 3HG1 VAL 53 -3.711 -2.638 -1.412 408 1HG2 VAL 53 1HG2 VAL 53 -1.213 -3.011 2.017 409 2HG2 VAL 53 2HG2 VAL 53 -1.059 -1.605 0.964 410 3HG2 VAL 53 3HG2 VAL 53 -2.498 -1.807 1.964 411 H LYS 54 H LYS 54 -2.478 -5.669 -1.197 412 HA LYS 54 HA LYS 54 -4.825 -5.507 -2.808 413 1HB LYS 54 1HB LYS 54 -2.526 -6.218 -3.579 414 2HB LYS 54 2HB LYS 54 -2.818 -7.777 -2.808 415 1HG LYS 54 1HG LYS 54 -4.887 -8.021 -4.201 416 2HG LYS 54 2HG LYS 54 -4.452 -6.538 -5.044 417 1HD LYS 54 1HD LYS 54 -2.741 -9.042 -4.903 418 2HD LYS 54 2HD LYS 54 -3.708 -8.550 -6.291 419 1HE LYS 54 1HE LYS 54 -1.210 -7.284 -5.186 420 2HE LYS 54 2HE LYS 54 -1.579 -7.741 -6.847 421 1HZ LYS 54 1HZ LYS 54 -3.463 -5.975 -6.523 422 2HZ LYS 54 2HZ LYS 54 -2.403 -5.368 -5.342 423 3HZ LYS 54 3HZ LYS 54 -1.891 -5.504 -6.957 424 H ALA 55 H ALA 55 -3.765 -8.039 -0.529 425 HA ALA 55 HA ALA 55 -6.033 -9.757 -0.993 426 1HB ALA 55 1HB ALA 55 -4.389 -9.635 1.539 427 2HB ALA 55 2HB ALA 55 -5.233 -11.028 0.861 428 3HB ALA 55 3HB ALA 55 -3.796 -10.392 0.061 429 H LEU 56 H LEU 56 -5.404 -7.129 1.255 430 HA LEU 56 HA LEU 56 -7.562 -7.563 3.033 431 1HB LEU 56 1HB LEU 56 -5.775 -5.981 3.539 432 2HB LEU 56 2HB LEU 56 -6.238 -4.975 2.169 433 HG LEU 56 HG LEU 56 -8.396 -4.488 3.212 434 1HD1 LEU 56 1HD1 LEU 56 -7.445 -6.529 5.220 435 2HD1 LEU 56 2HD1 LEU 56 -8.585 -5.274 5.707 436 3HD1 LEU 56 3HD1 LEU 56 -9.016 -6.404 4.425 437 1HD2 LEU 56 1HD2 LEU 56 -6.373 -3.134 3.805 438 2HD2 LEU 56 2HD2 LEU 56 -7.592 -3.154 5.080 439 3HD2 LEU 56 3HD2 LEU 56 -6.151 -4.159 5.222 440 H ILE 57 H ILE 57 -7.420 -5.511 0.104 441 HA ILE 57 HA ILE 57 -10.188 -4.750 0.227 442 HB ILE 57 HB ILE 57 -8.482 -5.027 -2.265 443 1HG1 ILE 57 1HG1 ILE 57 -7.236 -3.666 -0.699 444 2HG1 ILE 57 2HG1 ILE 57 -7.981 -2.579 -1.865 445 1HG2 ILE 57 1HG2 ILE 57 -10.998 -4.616 -2.451 446 2HG2 ILE 57 2HG2 ILE 57 -10.703 -3.057 -1.688 447 3HG2 ILE 57 3HG2 ILE 57 -9.964 -3.431 -3.243 448 1HD1 ILE 57 1HD1 ILE 57 -9.931 -2.453 -0.128 449 2HD1 ILE 57 2HD1 ILE 57 -8.732 -3.068 1.008 450 3HD1 ILE 57 3HD1 ILE 57 -8.458 -1.537 0.177 451 H ASP 58 H ASP 58 -8.458 -7.437 -1.323 452 HA ASP 58 HA ASP 58 -10.681 -8.491 -2.777 453 1HB ASP 58 1HB ASP 58 -8.273 -9.858 -1.560 454 2HB ASP 58 2HB ASP 58 -9.429 -10.685 -2.601 455 H GLU 59 H GLU 59 -9.625 -9.031 0.575 456 HA GLU 59 HA GLU 59 -11.634 -11.031 1.125 457 1HB GLU 59 1HB GLU 59 -9.843 -9.303 2.831 458 2HB GLU 59 2HB GLU 59 -11.099 -10.293 3.571 459 1HG GLU 59 1HG GLU 59 -8.801 -11.382 3.407 460 2HG GLU 59 2HG GLU 59 -10.133 -12.317 2.734 461 H ILE 60 H ILE 60 -11.433 -7.520 1.522 462 HA ILE 60 HA ILE 60 -13.946 -7.242 2.869 463 HB ILE 60 HB ILE 60 -12.352 -5.295 1.183 464 1HG1 ILE 60 1HG1 ILE 60 -12.701 -5.427 4.188 465 2HG1 ILE 60 2HG1 ILE 60 -11.381 -6.245 3.350 466 1HG2 ILE 60 1HG2 ILE 60 -14.813 -4.914 2.907 467 2HG2 ILE 60 2HG2 ILE 60 -13.750 -3.582 2.447 468 3HG2 ILE 60 3HG2 ILE 60 -14.614 -4.491 1.206 469 1HD1 ILE 60 1HD1 ILE 60 -11.965 -3.282 3.102 470 2HD1 ILE 60 2HD1 ILE 60 -10.764 -3.962 4.200 471 3HD1 ILE 60 3HD1 ILE 60 -10.569 -4.142 2.456 472 H LEU 61 H LEU 61 -13.025 -6.932 -0.563 473 HA LEU 61 HA LEU 61 -15.729 -6.456 -1.466 474 1HB LEU 61 1HB LEU 61 -13.227 -7.366 -2.912 475 2HB LEU 61 2HB LEU 61 -14.757 -7.063 -3.735 476 HG LEU 61 HG LEU 61 -13.284 -5.025 -2.034 477 1HD1 LEU 61 1HD1 LEU 61 -12.113 -5.734 -4.171 478 2HD1 LEU 61 2HD1 LEU 61 -13.518 -5.133 -5.053 479 3HD1 LEU 61 3HD1 LEU 61 -12.539 -4.024 -4.094 480 1HD2 LEU 61 1HD2 LEU 61 -15.865 -5.018 -3.586 481 2HD2 LEU 61 2HD2 LEU 61 -15.483 -4.247 -2.047 482 3HD2 LEU 61 3HD2 LEU 61 -14.910 -3.536 -3.554 483 H ALA 62 H ALA 62 -13.818 -9.317 -0.848 484 HA ALA 62 HA ALA 62 -15.706 -11.107 -2.190 485 1HB ALA 62 1HB ALA 62 -13.353 -11.748 -2.070 486 2HB ALA 62 2HB ALA 62 -13.390 -11.655 -0.310 487 3HB ALA 62 3HB ALA 62 -14.316 -12.900 -1.146 488 H ALA 63 H ALA 63 -15.618 -9.468 0.778 489 HA ALA 63 HA ALA 63 -17.895 -11.085 1.768 490 1HB ALA 63 1HB ALA 63 -15.506 -10.516 3.543 491 2HB ALA 63 2HB ALA 63 -16.928 -11.481 3.940 492 3HB ALA 63 3HB ALA 63 -15.772 -12.064 2.742 493 H LEU 64 H LEU 64 -18.640 -8.820 0.945 494 HA LEU 64 HA LEU 64 -18.037 -6.493 2.516 495 1HB LEU 64 1HB LEU 64 -20.427 -7.197 0.782 496 2HB LEU 64 2HB LEU 64 -20.224 -5.623 1.534 497 HG LEU 64 HG LEU 64 -17.853 -5.672 0.363 498 1HD1 LEU 64 1HD1 LEU 64 -19.457 -7.669 -1.263 499 2HD1 LEU 64 2HD1 LEU 64 -18.007 -6.859 -1.848 500 3HD1 LEU 64 3HD1 LEU 64 -17.910 -7.945 -0.466 501 1HD2 LEU 64 1HD2 LEU 64 -20.496 -5.207 -1.041 502 2HD2 LEU 64 2HD2 LEU 64 -19.483 -4.012 -0.228 503 3HD2 LEU 64 3HD2 LEU 64 -18.943 -4.746 -1.739 504 HA PRO 65 HA PRO 65 -20.404 -7.375 6.197 505 1HB PRO 65 1HB PRO 65 -21.477 -4.773 6.613 506 2HB PRO 65 2HB PRO 65 -19.961 -5.406 7.262 507 1HG PRO 65 1HG PRO 65 -20.390 -3.520 5.026 508 2HG PRO 65 2HG PRO 65 -18.944 -3.779 6.011 509 1HD PRO 65 1HD PRO 65 -19.246 -4.620 3.357 510 2HD PRO 65 2HD PRO 65 -18.052 -5.278 4.501 No H/Q in entry = 510 Start of MODEL 19 1 H1 MET 1 H1 MET 1 22.708 -7.957 16.964 2 H2 MET 1 H2 MET 1 23.653 -7.322 15.705 3 H3 MET 1 H3 MET 1 22.053 -7.811 15.403 4 HA MET 1 HA MET 1 22.955 -9.705 14.686 5 1HB MET 1 1HB MET 1 25.278 -10.378 15.311 6 2HB MET 1 2HB MET 1 25.190 -8.750 14.640 7 1HG MET 1 1HG MET 1 25.225 -7.791 16.905 8 2HG MET 1 2HG MET 1 25.252 -9.410 17.600 9 1HE MET 1 1HE MET 1 26.961 -6.606 15.832 10 2HE MET 1 2HE MET 1 28.596 -7.140 15.457 11 3HE MET 1 3HE MET 1 27.234 -7.714 14.492 12 H LYS 2 H LYS 2 23.015 -8.922 18.100 13 HA LYS 2 HA LYS 2 23.208 -11.553 19.167 14 1HB LYS 2 1HB LYS 2 23.302 -9.426 20.494 15 2HB LYS 2 2HB LYS 2 21.564 -9.247 20.257 16 1HG LYS 2 1HG LYS 2 21.258 -11.511 21.320 17 2HG LYS 2 2HG LYS 2 22.980 -11.505 21.698 18 1HD LYS 2 1HD LYS 2 20.978 -9.417 22.607 19 2HD LYS 2 2HD LYS 2 21.633 -10.708 23.614 20 1HE LYS 2 1HE LYS 2 23.961 -9.726 22.923 21 2HE LYS 2 2HE LYS 2 23.033 -8.285 22.505 22 1HZ LYS 2 1HZ LYS 2 22.011 -8.808 24.880 23 2HZ LYS 2 2HZ LYS 2 23.558 -9.464 25.112 24 3HZ LYS 2 3HZ LYS 2 23.386 -7.832 24.670 25 H ALA 3 H ALA 3 20.394 -9.687 18.036 26 HA ALA 3 HA ALA 3 18.927 -12.225 17.628 27 1HB ALA 3 1HB ALA 3 17.969 -10.003 19.455 28 2HB ALA 3 2HB ALA 3 18.251 -11.690 19.885 29 3HB ALA 3 3HB ALA 3 16.911 -11.263 18.819 30 H ILE 4 H ILE 4 20.034 -9.652 16.235 31 HA ILE 4 HA ILE 4 17.523 -8.814 14.831 32 HB ILE 4 HB ILE 4 20.266 -7.533 14.725 33 1HG1 ILE 4 1HG1 ILE 4 19.471 -7.455 17.030 34 2HG1 ILE 4 2HG1 ILE 4 19.294 -5.857 16.311 35 1HG2 ILE 4 1HG2 ILE 4 17.492 -6.601 13.934 36 2HG2 ILE 4 2HG2 ILE 4 18.928 -5.579 13.926 37 3HG2 ILE 4 3HG2 ILE 4 18.829 -6.968 12.843 38 1HD1 ILE 4 1HD1 ILE 4 16.866 -6.636 15.736 39 2HD1 ILE 4 2HD1 ILE 4 17.155 -7.882 16.949 40 3HD1 ILE 4 3HD1 ILE 4 17.234 -6.180 17.397 41 H PHE 5 H PHE 5 17.327 -9.174 12.615 42 HA PHE 5 HA PHE 5 18.610 -11.301 11.356 43 1HB PHE 5 1HB PHE 5 17.543 -8.784 10.036 44 2HB PHE 5 2HB PHE 5 17.875 -10.303 9.202 45 HD1 PHE 5 HD1 PHE 5 16.493 -12.297 9.603 46 HD2 PHE 5 HD2 PHE 5 15.655 -8.564 11.556 47 HE1 PHE 5 HE1 PHE 5 14.256 -13.143 10.262 48 HE2 PHE 5 HE2 PHE 5 13.420 -9.411 12.215 49 HZ PHE 5 HZ PHE 5 12.720 -11.700 11.568 50 H VAL 6 H VAL 6 20.321 -11.394 9.733 51 HA VAL 6 HA VAL 6 22.683 -10.003 10.489 52 HB VAL 6 HB VAL 6 21.990 -11.466 7.925 53 1HG1 VAL 6 1HG1 VAL 6 24.610 -10.316 8.917 54 2HG1 VAL 6 2HG1 VAL 6 24.522 -11.573 7.682 55 3HG1 VAL 6 3HG1 VAL 6 23.807 -9.989 7.381 56 1HG2 VAL 6 1HG2 VAL 6 22.038 -12.719 10.134 57 2HG2 VAL 6 2HG2 VAL 6 23.179 -13.306 8.926 58 3HG2 VAL 6 3HG2 VAL 6 23.746 -12.293 10.253 59 H LEU 7 H LEU 7 20.341 -9.351 7.890 60 HA LEU 7 HA LEU 7 21.867 -7.083 6.869 61 1HB LEU 7 1HB LEU 7 19.090 -8.174 6.383 62 2HB LEU 7 2HB LEU 7 19.575 -6.620 5.710 63 HG LEU 7 HG LEU 7 21.578 -7.778 4.686 64 1HD1 LEU 7 1HD1 LEU 7 20.099 -10.180 5.782 65 2HD1 LEU 7 2HD1 LEU 7 21.217 -10.312 4.427 66 3HD1 LEU 7 3HD1 LEU 7 21.796 -9.754 5.997 67 1HD2 LEU 7 1HD2 LEU 7 18.817 -8.762 3.901 68 2HD2 LEU 7 2HD2 LEU 7 19.588 -7.274 3.348 69 3HD2 LEU 7 3HD2 LEU 7 20.248 -8.839 2.872 70 H ASN 8 H ASN 8 21.799 -5.018 7.632 71 HA ASN 8 HA ASN 8 20.541 -4.374 10.099 72 1HB ASN 8 1HB ASN 8 22.474 -3.129 9.209 73 2HB ASN 8 2HB ASN 8 21.467 -2.492 7.909 74 2HD2 ASN 8 2HD2 ASN 8 22.068 -0.316 8.927 75 1HD2 ASN 8 1HD2 ASN 8 21.140 0.232 10.239 76 H ALA 9 H ALA 9 19.523 -3.724 6.741 77 HA ALA 9 HA ALA 9 17.080 -2.376 7.646 78 1HB ALA 9 1HB ALA 9 16.500 -2.446 5.188 79 2HB ALA 9 2HB ALA 9 18.025 -3.289 4.912 80 3HB ALA 9 3HB ALA 9 18.029 -1.643 5.545 81 H GLN 10 H GLN 10 14.970 -3.269 7.542 82 HA GLN 10 HA GLN 10 14.793 -6.099 8.053 83 1HB GLN 10 1HB GLN 10 12.335 -5.710 8.017 84 2HB GLN 10 2HB GLN 10 13.175 -4.528 9.020 85 1HG GLN 10 1HG GLN 10 13.152 -2.927 7.124 86 2HG GLN 10 2HG GLN 10 12.261 -4.104 6.158 87 2HE2 GLN 10 2HE2 GLN 10 11.106 -1.569 6.728 88 1HE2 GLN 10 1HE2 GLN 10 9.795 -1.788 7.785 89 H HIS 11 H HIS 11 14.399 -4.109 5.191 90 HA HIS 11 HA HIS 11 14.269 -6.581 3.543 91 1HB HIS 11 1HB HIS 11 11.925 -5.892 3.830 92 2HB HIS 11 2HB HIS 11 12.326 -4.259 3.298 93 HD1 HIS 11 HD1 HIS 11 12.821 -7.795 1.917 94 HD2 HIS 11 HD2 HIS 11 11.817 -3.965 0.610 95 HE1 HIS 11 HE1 HIS 11 12.394 -7.976 -0.573 96 H ASP 12 H ASP 12 13.477 -3.572 2.063 97 HA ASP 12 HA ASP 12 15.875 -3.611 0.445 98 1HB ASP 12 1HB ASP 12 13.612 -2.683 -0.248 99 2HB ASP 12 2HB ASP 12 13.955 -1.295 0.784 100 H GLU 13 H GLU 13 17.590 -2.036 0.452 101 HA GLU 13 HA GLU 13 18.592 -1.336 3.025 102 1HB GLU 13 1HB GLU 13 19.259 -0.279 0.261 103 2HB GLU 13 2HB GLU 13 20.167 0.154 1.711 104 1HG GLU 13 1HG GLU 13 21.329 -1.690 0.700 105 2HG GLU 13 2HG GLU 13 20.496 -2.333 2.115 106 H ALA 14 H ALA 14 16.785 0.537 0.616 107 HA ALA 14 HA ALA 14 16.548 2.797 2.576 108 1HB ALA 14 1HB ALA 14 17.454 3.578 0.497 109 2HB ALA 14 2HB ALA 14 16.275 2.660 -0.437 110 3HB ALA 14 3HB ALA 14 15.756 4.059 0.504 111 H VAL 15 H VAL 15 14.451 3.531 3.122 112 HA VAL 15 HA VAL 15 12.305 1.549 2.659 113 HB VAL 15 HB VAL 15 11.046 2.848 4.328 114 1HG1 VAL 15 1HG1 VAL 15 12.648 1.134 5.086 115 2HG1 VAL 15 2HG1 VAL 15 13.931 2.343 5.121 116 3HG1 VAL 15 3HG1 VAL 15 12.569 2.469 6.235 117 1HG2 VAL 15 1HG2 VAL 15 13.362 4.757 3.981 118 2HG2 VAL 15 2HG2 VAL 15 11.634 5.106 3.981 119 3HG2 VAL 15 3HG2 VAL 15 12.454 4.718 5.492 120 H ASP 16 H ASP 16 10.933 1.786 0.995 121 HA ASP 16 HA ASP 16 10.785 4.342 -0.461 122 1HB ASP 16 1HB ASP 16 9.393 3.099 -2.050 123 2HB ASP 16 2HB ASP 16 10.845 2.169 -1.676 124 H ALA 17 H ALA 17 8.490 5.096 -1.093 125 HA ALA 17 HA ALA 17 6.436 4.568 0.974 126 1HB ALA 17 1HB ALA 17 7.670 6.384 2.003 127 2HB ALA 17 2HB ALA 17 7.660 7.301 0.497 128 3HB ALA 17 3HB ALA 17 6.155 7.035 1.377 129 H ASN 18 H ASN 18 7.406 6.171 -2.025 130 HA ASN 18 HA ASN 18 4.829 7.078 -2.832 131 1HB ASN 18 1HB ASN 18 7.247 6.198 -4.424 132 2HB ASN 18 2HB ASN 18 5.804 6.884 -5.172 133 2HD2 ASN 18 2HD2 ASN 18 5.152 8.859 -3.211 134 1HD2 ASN 18 1HD2 ASN 18 6.385 10.026 -3.190 135 H SER 19 H SER 19 6.436 3.928 -3.279 136 HA SER 19 HA SER 19 4.323 2.823 -4.913 137 1HB SER 19 1HB SER 19 5.414 0.688 -4.528 138 2HB SER 19 2HB SER 19 6.657 1.910 -4.779 139 HG SER 19 HG SER 19 7.327 1.562 -2.823 140 H LEU 20 H LEU 20 5.027 2.771 -1.425 141 HA LEU 20 HA LEU 20 2.825 1.043 -0.732 142 1HB LEU 20 1HB LEU 20 4.523 3.017 0.796 143 2HB LEU 20 2HB LEU 20 3.156 2.225 1.573 144 HG LEU 20 HG LEU 20 5.348 1.047 1.920 145 1HD1 LEU 20 1HD1 LEU 20 2.922 -0.074 1.648 146 2HD1 LEU 20 2HD1 LEU 20 3.712 -0.843 0.274 147 3HD1 LEU 20 3HD1 LEU 20 4.374 -1.042 1.892 148 1HD2 LEU 20 1HD2 LEU 20 6.189 1.616 -0.410 149 2HD2 LEU 20 2HD2 LEU 20 6.449 -0.053 0.095 150 3HD2 LEU 20 3HD2 LEU 20 5.138 0.335 -1.015 151 H ALA 21 H ALA 21 3.206 4.567 -0.935 152 HA ALA 21 HA ALA 21 0.578 5.179 0.027 153 1HB ALA 21 1HB ALA 21 2.414 6.799 -1.757 154 2HB ALA 21 2HB ALA 21 2.400 6.839 0.005 155 3HB ALA 21 3HB ALA 21 1.005 7.425 -0.902 156 H GLU 22 H GLU 22 1.922 4.838 -3.275 157 HA GLU 22 HA GLU 22 -0.468 5.542 -4.652 158 1HB GLU 22 1HB GLU 22 1.716 5.301 -5.786 159 2HB GLU 22 2HB GLU 22 1.666 3.562 -5.500 160 1HG GLU 22 1HG GLU 22 -0.369 3.372 -6.856 161 2HG GLU 22 2HG GLU 22 -0.384 5.117 -7.105 162 H ALA 23 H ALA 23 0.705 2.341 -3.578 163 HA ALA 23 HA ALA 23 -1.518 0.850 -4.557 164 1HB ALA 23 1HB ALA 23 -0.893 -0.769 -2.688 165 2HB ALA 23 2HB ALA 23 0.412 -0.359 -3.798 166 3HB ALA 23 3HB ALA 23 0.341 0.399 -2.208 167 H LYS 24 H LYS 24 -0.937 2.356 -1.385 168 HA LYS 24 HA LYS 24 -3.500 1.646 -0.287 169 1HB LYS 24 1HB LYS 24 -1.496 3.806 0.421 170 2HB LYS 24 2HB LYS 24 -2.953 3.490 1.366 171 1HG LYS 24 1HG LYS 24 -2.226 1.155 1.711 172 2HG LYS 24 2HG LYS 24 -0.768 1.470 0.771 173 1HD LYS 24 1HD LYS 24 -0.090 3.201 2.397 174 2HD LYS 24 2HD LYS 24 -1.545 2.878 3.339 175 1HE LYS 24 1HE LYS 24 -0.827 0.644 3.845 176 2HE LYS 24 2HE LYS 24 0.506 0.750 2.694 177 1HZ LYS 24 1HZ LYS 24 0.589 2.880 4.577 178 2HZ LYS 24 2HZ LYS 24 0.593 1.375 5.365 179 3HZ LYS 24 3HZ LYS 24 1.779 1.725 4.205 180 H VAL 25 H VAL 25 -2.279 4.516 -2.008 181 HA VAL 25 HA VAL 25 -4.687 6.049 -1.699 182 HB VAL 25 HB VAL 25 -2.456 6.195 -3.727 183 1HG1 VAL 25 1HG1 VAL 25 -4.903 7.927 -3.366 184 2HG1 VAL 25 2HG1 VAL 25 -3.440 8.522 -4.151 185 3HG1 VAL 25 3HG1 VAL 25 -4.321 7.162 -4.845 186 1HG2 VAL 25 1HG2 VAL 25 -2.218 6.781 -1.157 187 2HG2 VAL 25 2HG2 VAL 25 -1.544 7.871 -2.365 188 3HG2 VAL 25 3HG2 VAL 25 -3.092 8.242 -1.609 189 H LEU 26 H LEU 26 -3.512 3.996 -4.398 190 HA LEU 26 HA LEU 26 -5.810 4.362 -6.048 191 1HB LEU 26 1HB LEU 26 -3.883 2.034 -5.806 192 2HB LEU 26 2HB LEU 26 -5.137 2.123 -7.041 193 HG LEU 26 HG LEU 26 -2.941 4.178 -6.633 194 1HD1 LEU 26 1HD1 LEU 26 -2.177 1.936 -7.464 195 2HD1 LEU 26 2HD1 LEU 26 -3.276 2.116 -8.832 196 3HD1 LEU 26 3HD1 LEU 26 -1.928 3.236 -8.629 197 1HD2 LEU 26 1HD2 LEU 26 -5.335 3.999 -8.442 198 2HD2 LEU 26 2HD2 LEU 26 -4.586 5.416 -7.708 199 3HD2 LEU 26 3HD2 LEU 26 -3.848 4.667 -9.118 200 H ALA 27 H ALA 27 -5.131 2.013 -3.472 201 HA ALA 27 HA ALA 27 -7.609 0.563 -3.815 202 1HB ALA 27 1HB ALA 27 -5.871 -0.569 -2.630 203 2HB ALA 27 2HB ALA 27 -5.633 0.792 -1.534 204 3HB ALA 27 3HB ALA 27 -7.092 -0.191 -1.416 205 H ASN 28 H ASN 28 -6.584 3.311 -1.851 206 HA ASN 28 HA ASN 28 -8.878 3.533 -0.192 207 1HB ASN 28 1HB ASN 28 -6.760 4.813 0.117 208 2HB ASN 28 2HB ASN 28 -7.168 5.779 -1.302 209 2HD2 ASN 28 2HD2 ASN 28 -8.047 5.131 2.067 210 1HD2 ASN 28 1HD2 ASN 28 -9.082 6.467 2.237 211 H ARG 29 H ARG 29 -8.249 4.808 -3.461 212 HA ARG 29 HA ARG 29 -10.587 6.410 -3.689 213 1HB ARG 29 1HB ARG 29 -8.997 4.907 -5.778 214 2HB ARG 29 2HB ARG 29 -10.312 6.013 -6.175 215 1HG ARG 29 1HG ARG 29 -9.141 7.829 -4.992 216 2HG ARG 29 2HG ARG 29 -7.819 6.731 -4.602 217 1HD ARG 29 1HD ARG 29 -7.426 6.367 -7.014 218 2HD ARG 29 2HD ARG 29 -8.724 7.488 -7.405 219 HE ARG 29 HE ARG 29 -5.989 8.144 -6.736 220 1HH1 ARG 29 1HH1 ARG 29 -5.366 10.189 -6.071 221 2HH1 ARG 29 2HH1 ARG 29 -6.572 11.338 -5.596 222 1HH2 ARG 29 1HH2 ARG 29 -9.231 9.196 -6.167 223 2HH2 ARG 29 2HH2 ARG 29 -8.752 10.777 -5.650 224 H GLU 30 H GLU 30 -10.116 2.932 -4.357 225 HA GLU 30 HA GLU 30 -12.689 2.470 -5.495 226 1HB GLU 30 1HB GLU 30 -10.885 0.660 -3.867 227 2HB GLU 30 2HB GLU 30 -12.363 0.103 -4.653 228 1HG GLU 30 1HG GLU 30 -10.125 1.507 -6.130 229 2HG GLU 30 2HG GLU 30 -10.257 -0.248 -6.006 230 H LEU 31 H LEU 31 -11.616 2.208 -2.095 231 HA LEU 31 HA LEU 31 -14.167 1.511 -1.026 232 1HB LEU 31 1HB LEU 31 -12.142 3.256 0.401 233 2HB LEU 31 2HB LEU 31 -13.278 2.105 1.109 234 HG LEU 31 HG LEU 31 -10.886 1.471 -0.623 235 1HD1 LEU 31 1HD1 LEU 31 -11.576 0.989 2.285 236 2HD1 LEU 31 2HD1 LEU 31 -10.259 0.150 1.466 237 3HD1 LEU 31 3HD1 LEU 31 -10.216 1.905 1.638 238 1HD2 LEU 31 1HD2 LEU 31 -13.184 -0.236 0.360 239 2HD2 LEU 31 2HD2 LEU 31 -12.516 -0.129 -1.269 240 3HD2 LEU 31 3HD2 LEU 31 -11.613 -0.946 0.002 241 H ASP 32 H ASP 32 -12.584 4.638 -1.503 242 HA ASP 32 HA ASP 32 -14.670 6.290 -0.499 243 1HB ASP 32 1HB ASP 32 -12.380 7.083 -1.037 244 2HB ASP 32 2HB ASP 32 -12.701 6.818 -2.747 245 H LYS 33 H LYS 33 -14.010 4.969 -3.721 246 HA LYS 33 HA LYS 33 -16.169 6.206 -5.101 247 1HB LYS 33 1HB LYS 33 -14.312 5.035 -6.224 248 2HB LYS 33 2HB LYS 33 -14.874 3.503 -5.569 249 1HG LYS 33 1HG LYS 33 -16.891 5.109 -7.097 250 2HG LYS 33 2HG LYS 33 -15.581 4.410 -8.041 251 1HD LYS 33 1HD LYS 33 -16.141 2.174 -6.904 252 2HD LYS 33 2HD LYS 33 -17.615 2.955 -6.333 253 1HE LYS 33 1HE LYS 33 -16.757 2.753 -9.228 254 2HE LYS 33 2HE LYS 33 -17.978 1.740 -8.459 255 1HZ LYS 33 1HZ LYS 33 -19.057 3.960 -7.831 256 2HZ LYS 33 2HZ LYS 33 -18.075 4.629 -9.045 257 3HZ LYS 33 3HZ LYS 33 -19.208 3.425 -9.433 258 H TYR 34 H TYR 34 -15.977 3.063 -3.409 259 HA TYR 34 HA TYR 34 -18.748 2.405 -3.901 260 1HB TYR 34 1HB TYR 34 -16.749 1.371 -1.873 261 2HB TYR 34 2HB TYR 34 -18.380 0.725 -2.036 262 HD1 TYR 34 HD1 TYR 34 -19.062 0.215 -4.607 263 HD2 TYR 34 HD2 TYR 34 -15.053 0.250 -3.047 264 HE1 TYR 34 HE1 TYR 34 -18.317 -1.229 -6.477 265 HE2 TYR 34 HE2 TYR 34 -14.315 -1.191 -4.921 266 HH TYR 34 HH TYR 34 -14.919 -2.285 -6.745 267 H GLY 35 H GLY 35 -17.053 4.205 -1.401 268 1HA GLY 35 1HA GLY 35 -19.675 5.125 -0.360 269 2HA GLY 35 2HA GLY 35 -18.109 5.860 -0.017 270 H VAL 36 H VAL 36 -16.874 3.248 0.643 271 HA VAL 36 HA VAL 36 -18.357 2.068 2.829 272 HB VAL 36 HB VAL 36 -15.349 1.932 2.615 273 1HG1 VAL 36 1HG1 VAL 36 -16.797 0.771 4.416 274 2HG1 VAL 36 2HG1 VAL 36 -17.328 -0.294 3.116 275 3HG1 VAL 36 3HG1 VAL 36 -15.621 -0.220 3.555 276 1HG2 VAL 36 1HG2 VAL 36 -17.385 0.619 0.795 277 2HG2 VAL 36 2HG2 VAL 36 -16.050 1.669 0.327 278 3HG2 VAL 36 3HG2 VAL 36 -15.720 0.057 0.956 279 H SER 37 H SER 37 -17.632 2.187 5.127 280 HA SER 37 HA SER 37 -17.512 4.859 6.077 281 1HB SER 37 1HB SER 37 -16.708 2.285 7.462 282 2HB SER 37 2HB SER 37 -16.947 3.829 8.274 283 HG SER 37 HG SER 37 -18.961 3.246 8.349 284 H ASP 38 H ASP 38 -15.725 5.877 7.285 285 HA ASP 38 HA ASP 38 -13.266 5.852 5.787 286 1HB ASP 38 1HB ASP 38 -14.032 7.130 8.420 287 2HB ASP 38 2HB ASP 38 -12.470 7.380 7.640 288 H TYR 39 H TYR 39 -14.407 3.982 8.427 289 HA TYR 39 HA TYR 39 -11.987 3.431 9.809 290 1HB TYR 39 1HB TYR 39 -14.161 2.731 10.678 291 2HB TYR 39 2HB TYR 39 -14.384 1.640 9.309 292 HD1 TYR 39 HD1 TYR 39 -12.553 2.215 12.456 293 HD2 TYR 39 HD2 TYR 39 -13.099 -0.416 9.106 294 HE1 TYR 39 HE1 TYR 39 -11.311 0.432 13.653 295 HE2 TYR 39 HE2 TYR 39 -11.861 -2.195 10.298 296 HH TYR 39 HH TYR 39 -11.262 -2.156 13.553 297 H TYR 40 H TYR 40 -13.476 1.630 7.079 298 HA TYR 40 HA TYR 40 -11.404 -0.306 6.830 299 1HB TYR 40 1HB TYR 40 -13.138 0.881 4.639 300 2HB TYR 40 2HB TYR 40 -12.232 -0.628 4.531 301 HD1 TYR 40 HD1 TYR 40 -15.120 1.068 6.025 302 HD2 TYR 40 HD2 TYR 40 -12.933 -2.619 5.788 303 HE1 TYR 40 HE1 TYR 40 -17.022 -0.122 7.070 304 HE2 TYR 40 HE2 TYR 40 -14.838 -3.814 6.839 305 HH TYR 40 HH TYR 40 -16.960 -3.651 7.517 306 H LYS 41 H LYS 41 -11.759 2.924 5.377 307 HA LYS 41 HA LYS 41 -9.414 2.772 3.731 308 1HB LYS 41 1HB LYS 41 -11.030 5.055 4.879 309 2HB LYS 41 2HB LYS 41 -9.571 5.344 3.928 310 1HG LYS 41 1HG LYS 41 -10.543 4.609 1.950 311 2HG LYS 41 2HG LYS 41 -11.595 3.459 2.766 312 1HD LYS 41 1HD LYS 41 -12.925 5.274 1.816 313 2HD LYS 41 2HD LYS 41 -13.009 5.322 3.568 314 1HE LYS 41 1HE LYS 41 -12.543 7.554 3.251 315 2HE LYS 41 2HE LYS 41 -10.880 7.000 3.121 316 1HZ LYS 41 1HZ LYS 41 -12.273 6.693 0.671 317 2HZ LYS 41 2HZ LYS 41 -12.321 8.305 1.203 318 3HZ LYS 41 3HZ LYS 41 -10.830 7.527 0.989 319 H ASN 42 H ASN 42 -10.030 3.865 7.032 320 HA ASN 42 HA ASN 42 -7.393 4.840 7.548 321 1HB ASN 42 1HB ASN 42 -9.554 3.777 9.386 322 2HB ASN 42 2HB ASN 42 -8.045 4.476 9.975 323 2HD2 ASN 42 2HD2 ASN 42 -10.647 5.670 10.484 324 1HD2 ASN 42 1HD2 ASN 42 -10.684 7.172 9.692 325 H LEU 43 H LEU 43 -8.905 1.666 7.886 326 HA LEU 43 HA LEU 43 -6.789 0.356 9.244 327 1HB LEU 43 1HB LEU 43 -9.031 -0.627 8.936 328 2HB LEU 43 2HB LEU 43 -8.740 -0.759 7.204 329 HG LEU 43 HG LEU 43 -6.859 -2.298 7.630 330 1HD1 LEU 43 1HD1 LEU 43 -7.542 -1.651 10.497 331 2HD1 LEU 43 2HD1 LEU 43 -6.841 -3.219 10.100 332 3HD1 LEU 43 3HD1 LEU 43 -5.958 -1.742 9.726 333 1HD2 LEU 43 1HD2 LEU 43 -9.462 -3.027 9.011 334 2HD2 LEU 43 2HD2 LEU 43 -9.086 -3.251 7.303 335 3HD2 LEU 43 3HD2 LEU 43 -8.230 -4.191 8.526 336 H ILE 44 H ILE 44 -7.322 0.901 5.758 337 HA ILE 44 HA ILE 44 -5.125 -0.658 4.827 338 HB ILE 44 HB ILE 44 -6.448 1.828 3.705 339 1HG1 ILE 44 1HG1 ILE 44 -7.669 -0.454 3.919 340 2HG1 ILE 44 2HG1 ILE 44 -7.712 0.361 2.362 341 1HG2 ILE 44 1HG2 ILE 44 -4.274 0.091 2.521 342 2HG2 ILE 44 2HG2 ILE 44 -5.323 1.106 1.533 343 3HG2 ILE 44 3HG2 ILE 44 -4.265 1.841 2.739 344 1HD1 ILE 44 1HD1 ILE 44 -5.429 -1.516 2.739 345 2HD1 ILE 44 2HD1 ILE 44 -7.024 -2.250 2.671 346 3HD1 ILE 44 3HD1 ILE 44 -6.464 -1.251 1.339 347 H ASN 45 H ASN 45 -5.323 2.725 5.900 348 HA ASN 45 HA ASN 45 -2.631 3.454 5.318 349 1HB ASN 45 1HB ASN 45 -4.581 4.388 7.438 350 2HB ASN 45 2HB ASN 45 -2.985 5.113 7.234 351 2HD2 ASN 45 2HD2 ASN 45 -3.812 4.150 4.176 352 1HD2 ASN 45 1HD2 ASN 45 -4.568 5.565 3.623 353 H ASN 46 H ASN 46 -4.081 1.879 8.141 354 HA ASN 46 HA ASN 46 -1.766 1.844 9.799 355 1HB ASN 46 1HB ASN 46 -4.019 1.262 10.618 356 2HB ASN 46 2HB ASN 46 -4.010 -0.190 9.619 357 2HD2 ASN 46 2HD2 ASN 46 -2.562 1.313 12.493 358 1HD2 ASN 46 1HD2 ASN 46 -1.868 -0.112 13.101 359 H ALA 47 H ALA 47 -2.869 -0.389 7.264 360 HA ALA 47 HA ALA 47 -1.006 -2.471 7.637 361 1HB ALA 47 1HB ALA 47 -2.077 -1.355 5.028 362 2HB ALA 47 2HB ALA 47 -1.294 -2.923 5.215 363 3HB ALA 47 3HB ALA 47 -2.838 -2.608 6.007 364 H LYS 48 H LYS 48 1.173 -2.594 7.380 365 HA LYS 48 HA LYS 48 2.591 -0.236 6.214 366 1HB LYS 48 1HB LYS 48 4.595 -1.306 7.366 367 2HB LYS 48 2HB LYS 48 3.331 -0.697 8.436 368 1HG LYS 48 1HG LYS 48 2.473 -2.885 8.835 369 2HG LYS 48 2HG LYS 48 3.400 -3.571 7.502 370 1HD LYS 48 1HD LYS 48 4.498 -4.147 9.598 371 2HD LYS 48 2HD LYS 48 5.505 -2.992 8.725 372 1HE LYS 48 1HE LYS 48 4.859 -1.195 10.134 373 2HE LYS 48 2HE LYS 48 3.492 -2.095 10.793 374 1HZ LYS 48 1HZ LYS 48 5.983 -3.448 11.169 375 2HZ LYS 48 2HZ LYS 48 5.976 -1.912 11.894 376 3HZ LYS 48 3HZ LYS 48 4.786 -3.054 12.303 377 H THR 49 H THR 49 1.528 -3.210 5.214 378 HA THR 49 HA THR 49 3.807 -3.497 3.270 379 HB THR 49 HB THR 49 3.196 -5.971 3.280 380 HG1 THR 49 HG1 THR 49 2.107 -5.461 5.811 381 1HG2 THR 49 1HG2 THR 49 4.417 -4.549 5.641 382 2HG2 THR 49 2HG2 THR 49 4.324 -6.309 5.591 383 3HG2 THR 49 3HG2 THR 49 5.223 -5.439 4.349 384 H VAL 50 H VAL 50 3.198 -3.641 1.144 385 HA VAL 50 HA VAL 50 0.476 -3.010 0.432 386 HB VAL 50 HB VAL 50 2.349 -2.273 -0.940 387 1HG1 VAL 50 1HG1 VAL 50 3.652 -4.463 -0.501 388 2HG1 VAL 50 2HG1 VAL 50 2.714 -5.134 -1.836 389 3HG1 VAL 50 3HG1 VAL 50 3.782 -3.757 -2.112 390 1HG2 VAL 50 1HG2 VAL 50 0.031 -2.809 -1.910 391 2HG2 VAL 50 2HG2 VAL 50 1.360 -2.694 -3.062 392 3HG2 VAL 50 3HG2 VAL 50 0.768 -4.276 -2.554 393 H GLU 51 H GLU 51 2.313 -6.011 0.624 394 HA GLU 51 HA GLU 51 0.569 -7.635 -0.942 395 1HB GLU 51 1HB GLU 51 2.771 -8.426 -0.107 396 2HB GLU 51 2HB GLU 51 2.142 -8.407 1.541 397 1HG GLU 51 1HG GLU 51 0.427 -10.070 0.911 398 2HG GLU 51 2HG GLU 51 1.054 -10.090 -0.738 399 H GLY 52 H GLY 52 0.496 -6.624 2.442 400 1HA GLY 52 1HA GLY 52 -1.216 -6.784 4.043 401 2HA GLY 52 2HA GLY 52 -1.869 -8.140 3.119 402 H VAL 53 H VAL 53 -1.249 -4.915 1.777 403 HA VAL 53 HA VAL 53 -3.889 -3.867 2.109 404 HB VAL 53 HB VAL 53 -1.771 -3.331 0.013 405 1HG1 VAL 53 1HG1 VAL 53 -4.428 -2.000 0.527 406 2HG1 VAL 53 2HG1 VAL 53 -3.110 -1.175 -0.300 407 3HG1 VAL 53 3HG1 VAL 53 -3.810 -2.637 -0.995 408 1HG2 VAL 53 1HG2 VAL 53 -1.372 -2.791 2.491 409 2HG2 VAL 53 2HG2 VAL 53 -1.190 -1.449 1.360 410 3HG2 VAL 53 3HG2 VAL 53 -2.658 -1.597 2.326 411 H LYS 54 H LYS 54 -2.413 -5.562 -0.684 412 HA LYS 54 HA LYS 54 -4.768 -5.578 -2.285 413 1HB LYS 54 1HB LYS 54 -2.528 -6.108 -3.173 414 2HB LYS 54 2HB LYS 54 -2.513 -7.600 -2.231 415 1HG LYS 54 1HG LYS 54 -4.377 -8.491 -3.466 416 2HG LYS 54 2HG LYS 54 -4.656 -6.946 -4.265 417 1HD LYS 54 1HD LYS 54 -3.472 -8.503 -5.767 418 2HD LYS 54 2HD LYS 54 -2.463 -7.112 -5.377 419 1HE LYS 54 1HE LYS 54 -1.401 -9.485 -5.243 420 2HE LYS 54 2HE LYS 54 -1.090 -8.352 -3.928 421 1HZ LYS 54 1HZ LYS 54 -3.383 -10.204 -3.817 422 2HZ LYS 54 2HZ LYS 54 -1.832 -10.718 -3.352 423 3HZ LYS 54 3HZ LYS 54 -2.576 -9.428 -2.539 424 H ALA 55 H ALA 55 -3.544 -7.996 0.040 425 HA ALA 55 HA ALA 55 -5.720 -9.838 -0.383 426 1HB ALA 55 1HB ALA 55 -4.959 -10.830 1.790 427 2HB ALA 55 2HB ALA 55 -3.821 -9.493 1.950 428 3HB ALA 55 3HB ALA 55 -3.660 -10.633 0.614 429 H LEU 56 H LEU 56 -5.171 -7.214 1.924 430 HA LEU 56 HA LEU 56 -7.434 -7.665 3.576 431 1HB LEU 56 1HB LEU 56 -5.669 -6.111 4.226 432 2HB LEU 56 2HB LEU 56 -6.017 -5.085 2.837 433 HG LEU 56 HG LEU 56 -8.235 -4.562 3.739 434 1HD1 LEU 56 1HD1 LEU 56 -7.436 -6.603 5.818 435 2HD1 LEU 56 2HD1 LEU 56 -8.623 -5.353 6.192 436 3HD1 LEU 56 3HD1 LEU 56 -8.935 -6.502 4.894 437 1HD2 LEU 56 1HD2 LEU 56 -6.111 -3.341 4.499 438 2HD2 LEU 56 2HD2 LEU 56 -7.520 -3.171 5.546 439 3HD2 LEU 56 3HD2 LEU 56 -6.224 -4.283 5.981 440 H ILE 57 H ILE 57 -7.044 -5.567 0.724 441 HA ILE 57 HA ILE 57 -9.802 -4.766 0.610 442 HB ILE 57 HB ILE 57 -7.712 -4.912 -1.571 443 1HG1 ILE 57 1HG1 ILE 57 -7.051 -3.436 0.284 444 2HG1 ILE 57 2HG1 ILE 57 -7.458 -2.480 -1.134 445 1HG2 ILE 57 1HG2 ILE 57 -10.440 -3.637 -1.464 446 2HG2 ILE 57 2HG2 ILE 57 -9.205 -3.137 -2.621 447 3HG2 ILE 57 3HG2 ILE 57 -9.814 -4.789 -2.640 448 1HD1 ILE 57 1HD1 ILE 57 -9.875 -2.470 0.016 449 2HD1 ILE 57 2HD1 ILE 57 -8.919 -2.751 1.464 450 3HD1 ILE 57 3HD1 ILE 57 -8.638 -1.314 0.484 451 H ASP 58 H ASP 58 -7.972 -7.417 -0.900 452 HA ASP 58 HA ASP 58 -10.045 -8.297 -2.654 453 1HB ASP 58 1HB ASP 58 -7.860 -9.849 -1.251 454 2HB ASP 58 2HB ASP 58 -8.919 -10.555 -2.468 455 H GLU 59 H GLU 59 -9.403 -9.049 0.753 456 HA GLU 59 HA GLU 59 -11.543 -10.974 0.973 457 1HB GLU 59 1HB GLU 59 -9.900 -9.390 2.950 458 2HB GLU 59 2HB GLU 59 -11.273 -10.352 3.495 459 1HG GLU 59 1HG GLU 59 -9.040 -11.549 3.572 460 2HG GLU 59 2HG GLU 59 -10.294 -12.381 2.656 461 H ILE 60 H ILE 60 -11.229 -7.490 1.542 462 HA ILE 60 HA ILE 60 -13.901 -7.163 2.556 463 HB ILE 60 HB ILE 60 -12.001 -5.173 1.292 464 1HG1 ILE 60 1HG1 ILE 60 -12.743 -5.542 4.204 465 2HG1 ILE 60 2HG1 ILE 60 -11.367 -6.364 3.472 466 1HG2 ILE 60 1HG2 ILE 60 -14.658 -4.839 2.698 467 2HG2 ILE 60 2HG2 ILE 60 -13.493 -3.523 2.553 468 3HG2 ILE 60 3HG2 ILE 60 -14.195 -4.242 1.104 469 1HD1 ILE 60 1HD1 ILE 60 -11.782 -3.361 3.469 470 2HD1 ILE 60 2HD1 ILE 60 -10.712 -4.227 4.572 471 3HD1 ILE 60 3HD1 ILE 60 -10.375 -4.220 2.841 472 H LEU 61 H LEU 61 -12.461 -6.807 -0.688 473 HA LEU 61 HA LEU 61 -14.830 -5.856 -1.967 474 1HB LEU 61 1HB LEU 61 -12.390 -7.322 -2.980 475 2HB LEU 61 2HB LEU 61 -13.734 -6.952 -4.062 476 HG LEU 61 HG LEU 61 -12.211 -4.905 -2.416 477 1HD1 LEU 61 1HD1 LEU 61 -10.907 -6.026 -4.266 478 2HD1 LEU 61 2HD1 LEU 61 -12.114 -5.427 -5.403 479 3HD1 LEU 61 3HD1 LEU 61 -11.123 -4.289 -4.494 480 1HD2 LEU 61 1HD2 LEU 61 -14.602 -4.778 -4.230 481 2HD2 LEU 61 2HD2 LEU 61 -14.214 -3.802 -2.814 482 3HD2 LEU 61 3HD2 LEU 61 -13.433 -3.465 -4.355 483 H ALA 62 H ALA 62 -13.667 -9.144 -1.322 484 HA ALA 62 HA ALA 62 -15.627 -10.555 -2.809 485 1HB ALA 62 1HB ALA 62 -14.211 -11.247 -0.223 486 2HB ALA 62 2HB ALA 62 -15.259 -12.378 -1.079 487 3HB ALA 62 3HB ALA 62 -13.791 -11.778 -1.851 488 H ALA 63 H ALA 63 -15.908 -8.688 0.089 489 HA ALA 63 HA ALA 63 -18.453 -9.932 0.906 490 1HB ALA 63 1HB ALA 63 -18.411 -8.379 2.744 491 2HB ALA 63 2HB ALA 63 -16.763 -8.972 2.536 492 3HB ALA 63 3HB ALA 63 -17.205 -7.373 1.940 493 H LEU 64 H LEU 64 -17.546 -7.785 -1.468 494 HA LEU 64 HA LEU 64 -20.273 -6.530 -1.527 495 1HB LEU 64 1HB LEU 64 -17.604 -5.266 -2.205 496 2HB LEU 64 2HB LEU 64 -19.165 -4.527 -2.554 497 HG LEU 64 HG LEU 64 -18.550 -5.435 0.259 498 1HD1 LEU 64 1HD1 LEU 64 -17.598 -2.885 -1.066 499 2HD1 LEU 64 2HD1 LEU 64 -17.733 -3.073 0.683 500 3HD1 LEU 64 3HD1 LEU 64 -16.622 -4.092 -0.231 501 1HD2 LEU 64 1HD2 LEU 64 -20.240 -3.224 -0.962 502 2HD2 LEU 64 2HD2 LEU 64 -20.828 -4.701 -0.201 503 3HD2 LEU 64 3HD2 LEU 64 -20.029 -3.467 0.770 504 HA PRO 65 HA PRO 65 -19.251 -8.745 -5.495 505 1HB PRO 65 1HB PRO 65 -21.776 -10.002 -5.617 506 2HB PRO 65 2HB PRO 65 -20.278 -10.730 -5.027 507 1HG PRO 65 1HG PRO 65 -22.625 -9.876 -3.496 508 2HG PRO 65 2HG PRO 65 -21.263 -10.873 -2.975 509 1HD PRO 65 1HD PRO 65 -21.764 -8.109 -2.319 510 2HD PRO 65 2HD PRO 65 -20.354 -9.091 -1.851 No H/Q in entry = 510 Start of MODEL 20 1 H1 MET 1 H1 MET 1 27.715 1.394 17.305 2 H2 MET 1 H2 MET 1 28.709 0.026 17.130 3 H3 MET 1 H3 MET 1 27.118 -0.148 17.690 4 HA MET 1 HA MET 1 27.609 0.483 19.785 5 1HB MET 1 1HB MET 1 30.274 -0.359 18.612 6 2HB MET 1 2HB MET 1 29.991 -0.174 20.343 7 1HG MET 1 1HG MET 1 29.632 -2.486 19.886 8 2HG MET 1 2HG MET 1 28.022 -1.788 20.045 9 1HE MET 1 1HE MET 1 27.438 -4.143 18.932 10 2HE MET 1 2HE MET 1 26.328 -2.811 18.625 11 3HE MET 1 3HE MET 1 26.757 -3.909 17.317 12 H LYS 2 H LYS 2 28.198 2.671 17.582 13 HA LYS 2 HA LYS 2 30.348 4.277 18.544 14 1HB LYS 2 1HB LYS 2 27.794 5.013 17.091 15 2HB LYS 2 2HB LYS 2 29.086 6.168 17.423 16 1HG LYS 2 1HG LYS 2 30.682 4.739 16.196 17 2HG LYS 2 2HG LYS 2 29.389 3.587 15.860 18 1HD LYS 2 1HD LYS 2 28.145 5.333 14.637 19 2HD LYS 2 2HD LYS 2 29.437 6.487 14.969 20 1HE LYS 2 1HE LYS 2 31.028 5.124 13.712 21 2HE LYS 2 2HE LYS 2 29.798 3.888 13.449 22 1HZ LYS 2 1HZ LYS 2 28.517 5.985 12.506 23 2HZ LYS 2 2HZ LYS 2 30.105 6.504 12.198 24 3HZ LYS 2 3HZ LYS 2 29.547 5.045 11.538 25 H ALA 3 H ALA 3 26.910 4.177 19.462 26 HA ALA 3 HA ALA 3 27.619 5.654 21.959 27 1HB ALA 3 1HB ALA 3 26.736 7.373 20.495 28 2HB ALA 3 2HB ALA 3 25.358 6.358 20.067 29 3HB ALA 3 3HB ALA 3 25.511 6.992 21.705 30 H ILE 4 H ILE 4 26.657 4.763 23.724 31 HA ILE 4 HA ILE 4 25.251 2.292 23.554 32 HB ILE 4 HB ILE 4 25.447 4.328 25.796 33 1HG1 ILE 4 1HG1 ILE 4 26.975 2.555 26.742 34 2HG1 ILE 4 2HG1 ILE 4 26.832 1.687 25.215 35 1HG2 ILE 4 1HG2 ILE 4 24.206 1.568 25.721 36 2HG2 ILE 4 2HG2 ILE 4 24.725 2.336 27.222 37 3HG2 ILE 4 3HG2 ILE 4 23.456 3.076 26.247 38 1HD1 ILE 4 1HD1 ILE 4 27.678 4.578 25.195 39 2HD1 ILE 4 2HD1 ILE 4 28.853 3.327 25.595 40 3HD1 ILE 4 3HD1 ILE 4 28.041 3.300 24.033 41 H PHE 5 H PHE 5 24.108 5.635 23.937 42 HA PHE 5 HA PHE 5 21.367 4.724 23.149 43 1HB PHE 5 1HB PHE 5 20.381 6.254 24.796 44 2HB PHE 5 2HB PHE 5 21.418 5.082 25.611 45 HD1 PHE 5 HD1 PHE 5 23.570 5.744 26.569 46 HD2 PHE 5 HD2 PHE 5 21.052 8.593 24.571 47 HE1 PHE 5 HE1 PHE 5 24.923 7.598 27.509 48 HE2 PHE 5 HE2 PHE 5 22.403 10.448 25.512 49 HZ PHE 5 HZ PHE 5 24.339 9.950 26.981 50 H VAL 6 H VAL 6 20.077 6.507 22.232 51 HA VAL 6 HA VAL 6 21.741 8.752 21.134 52 HB VAL 6 HB VAL 6 21.425 7.087 19.369 53 1HG1 VAL 6 1HG1 VAL 6 19.371 6.062 20.431 54 2HG1 VAL 6 2HG1 VAL 6 18.445 7.424 19.798 55 3HG1 VAL 6 3HG1 VAL 6 19.248 6.312 18.690 56 1HG2 VAL 6 1HG2 VAL 6 21.187 9.575 18.892 57 2HG2 VAL 6 2HG2 VAL 6 20.429 8.508 17.710 58 3HG2 VAL 6 3HG2 VAL 6 19.440 9.330 18.917 59 H LEU 7 H LEU 7 20.816 10.727 21.412 60 HA LEU 7 HA LEU 7 18.487 11.064 22.997 61 1HB LEU 7 1HB LEU 7 20.203 12.822 22.761 62 2HB LEU 7 2HB LEU 7 19.765 13.028 21.067 63 HG LEU 7 HG LEU 7 17.491 13.726 21.724 64 1HD1 LEU 7 1HD1 LEU 7 18.528 13.051 24.473 65 2HD1 LEU 7 2HD1 LEU 7 17.280 14.284 24.283 66 3HD1 LEU 7 3HD1 LEU 7 16.978 12.638 23.737 67 1HD2 LEU 7 1HD2 LEU 7 19.764 15.178 23.106 68 2HD2 LEU 7 2HD2 LEU 7 19.145 15.476 21.481 69 3HD2 LEU 7 3HD2 LEU 7 18.151 15.858 22.886 70 H ASN 8 H ASN 8 18.931 11.245 19.474 71 HA ASN 8 HA ASN 8 15.993 11.558 19.126 72 1HB ASN 8 1HB ASN 8 17.601 12.996 17.847 73 2HB ASN 8 2HB ASN 8 18.185 11.544 17.033 74 2HD2 ASN 8 2HD2 ASN 8 15.118 13.333 17.657 75 1HD2 ASN 8 1HD2 ASN 8 14.391 12.894 16.188 76 H ALA 9 H ALA 9 17.108 10.118 16.392 77 HA ALA 9 HA ALA 9 17.014 7.332 17.302 78 1HB ALA 9 1HB ALA 9 14.812 8.306 15.467 79 2HB ALA 9 2HB ALA 9 14.944 6.739 16.262 80 3HB ALA 9 3HB ALA 9 14.601 8.182 17.212 81 H GLN 10 H GLN 10 18.596 6.463 16.063 82 HA GLN 10 HA GLN 10 19.496 7.647 13.601 83 1HB GLN 10 1HB GLN 10 20.920 5.620 13.414 84 2HB GLN 10 2HB GLN 10 21.015 6.350 15.016 85 1HG GLN 10 1HG GLN 10 19.251 4.710 15.776 86 2HG GLN 10 2HG GLN 10 19.410 3.908 14.212 87 2HE2 GLN 10 2HE2 GLN 10 20.072 2.400 16.462 88 1HE2 GLN 10 1HE2 GLN 10 21.755 2.198 16.556 89 H HIS 11 H HIS 11 17.415 4.843 14.299 90 HA HIS 11 HA HIS 11 17.076 4.337 11.398 91 1HB HIS 11 1HB HIS 11 15.566 2.475 12.266 92 2HB HIS 11 2HB HIS 11 17.264 2.357 12.728 93 HD1 HIS 11 HD1 HIS 11 16.177 0.895 14.786 94 HD2 HIS 11 HD2 HIS 11 15.476 5.001 14.830 95 HE1 HIS 11 HE1 HIS 11 15.449 1.472 17.144 96 H ASP 12 H ASP 12 16.075 6.678 11.373 97 HA ASP 12 HA ASP 12 13.506 7.166 12.511 98 1HB ASP 12 1HB ASP 12 14.805 8.249 9.998 99 2HB ASP 12 2HB ASP 12 13.267 8.841 10.624 100 H GLU 13 H GLU 13 14.437 5.733 9.385 101 HA GLU 13 HA GLU 13 11.812 4.387 9.268 102 1HB GLU 13 1HB GLU 13 11.340 5.189 6.976 103 2HB GLU 13 2HB GLU 13 11.363 6.519 8.130 104 1HG GLU 13 1HG GLU 13 13.746 5.744 6.413 105 2HG GLU 13 2HG GLU 13 12.589 6.999 5.981 106 H ALA 14 H ALA 14 11.788 2.698 7.575 107 HA ALA 14 HA ALA 14 14.369 2.044 6.309 108 1HB ALA 14 1HB ALA 14 14.767 0.016 7.441 109 2HB ALA 14 2HB ALA 14 13.136 -0.038 8.113 110 3HB ALA 14 3HB ALA 14 14.309 1.121 8.737 111 H VAL 15 H VAL 15 11.414 2.566 5.685 112 HA VAL 15 HA VAL 15 11.024 0.159 3.935 113 HB VAL 15 HB VAL 15 8.592 0.382 4.273 114 1HG1 VAL 15 1HG1 VAL 15 10.156 0.217 6.870 115 2HG1 VAL 15 2HG1 VAL 15 8.519 -0.392 6.621 116 3HG1 VAL 15 3HG1 VAL 15 9.872 -1.119 5.755 117 1HG2 VAL 15 1HG2 VAL 15 9.471 2.655 6.068 118 2HG2 VAL 15 2HG2 VAL 15 8.307 2.702 4.744 119 3HG2 VAL 15 3HG2 VAL 15 7.897 1.880 6.250 120 H ASP 16 H ASP 16 9.789 0.672 1.956 121 HA ASP 16 HA ASP 16 10.556 3.311 0.907 122 1HB ASP 16 1HB ASP 16 10.803 1.248 -0.462 123 2HB ASP 16 2HB ASP 16 9.052 1.037 -0.428 124 H ALA 17 H ALA 17 9.220 5.037 1.091 125 HA ALA 17 HA ALA 17 6.322 4.583 1.631 126 1HB ALA 17 1HB ALA 17 7.427 6.041 3.218 127 2HB ALA 17 2HB ALA 17 8.094 7.026 1.916 128 3HB ALA 17 3HB ALA 17 6.358 7.029 2.221 129 H ASN 18 H ASN 18 8.049 4.760 -1.062 130 HA ASN 18 HA ASN 18 6.522 6.878 -2.455 131 1HB ASN 18 1HB ASN 18 8.908 6.582 -2.985 132 2HB ASN 18 2HB ASN 18 8.600 4.916 -3.474 133 2HD2 ASN 18 2HD2 ASN 18 6.604 7.828 -4.163 134 1HD2 ASN 18 1HD2 ASN 18 6.735 7.703 -5.852 135 H SER 19 H SER 19 7.272 3.629 -3.676 136 HA SER 19 HA SER 19 4.848 3.385 -5.140 137 1HB SER 19 1HB SER 19 5.471 1.076 -5.467 138 2HB SER 19 2HB SER 19 6.951 2.029 -5.472 139 HG SER 19 HG SER 19 7.105 0.169 -4.135 140 H LEU 20 H LEU 20 5.694 2.272 -1.872 141 HA LEU 20 HA LEU 20 3.340 0.761 -1.368 142 1HB LEU 20 1HB LEU 20 5.323 0.724 0.103 143 2HB LEU 20 2HB LEU 20 5.011 2.394 0.570 144 HG LEU 20 HG LEU 20 2.819 1.707 1.517 145 1HD1 LEU 20 1HD1 LEU 20 3.691 -0.963 0.428 146 2HD1 LEU 20 2HD1 LEU 20 2.665 -0.902 1.861 147 3HD1 LEU 20 3HD1 LEU 20 2.107 -0.191 0.349 148 1HD2 LEU 20 1HD2 LEU 20 5.275 0.219 2.482 149 2HD2 LEU 20 2HD2 LEU 20 4.692 1.789 3.032 150 3HD2 LEU 20 3HD2 LEU 20 3.777 0.328 3.408 151 H ALA 21 H ALA 21 3.999 4.232 -0.966 152 HA ALA 21 HA ALA 21 1.591 4.924 0.343 153 1HB ALA 21 1HB ALA 21 3.355 6.498 -1.541 154 2HB ALA 21 2HB ALA 21 3.363 6.540 0.221 155 3HB ALA 21 3HB ALA 21 1.996 7.209 -0.671 156 H GLU 22 H GLU 22 2.311 4.719 -3.150 157 HA GLU 22 HA GLU 22 -0.223 5.691 -4.045 158 1HB GLU 22 1HB GLU 22 1.224 3.504 -5.543 159 2HB GLU 22 2HB GLU 22 0.375 4.915 -6.176 160 1HG GLU 22 1HG GLU 22 3.033 4.855 -4.760 161 2HG GLU 22 2HG GLU 22 2.731 5.285 -6.439 162 H ALA 23 H ALA 23 0.905 2.445 -3.196 163 HA ALA 23 HA ALA 23 -1.385 1.044 -4.046 164 1HB ALA 23 1HB ALA 23 -0.701 -0.611 -2.193 165 2HB ALA 23 2HB ALA 23 0.502 -0.262 -3.434 166 3HB ALA 23 3HB ALA 23 0.618 0.509 -1.852 167 H LYS 24 H LYS 24 -0.632 2.441 -0.846 168 HA LYS 24 HA LYS 24 -3.149 1.729 0.346 169 1HB LYS 24 1HB LYS 24 -1.185 3.951 0.989 170 2HB LYS 24 2HB LYS 24 -2.557 3.515 2.008 171 1HG LYS 24 1HG LYS 24 -1.665 1.223 2.234 172 2HG LYS 24 2HG LYS 24 -0.290 1.661 1.218 173 1HD LYS 24 1HD LYS 24 0.377 3.388 2.853 174 2HD LYS 24 2HD LYS 24 -0.994 2.953 3.872 175 1HE LYS 24 1HE LYS 24 -0.080 0.852 4.415 176 2HE LYS 24 2HE LYS 24 1.022 0.868 3.040 177 1HZ LYS 24 1HZ LYS 24 1.346 3.054 4.909 178 2HZ LYS 24 2HZ LYS 24 1.725 1.518 5.532 179 3HZ LYS 24 3HZ LYS 24 2.518 2.090 4.146 180 H VAL 25 H VAL 25 -1.997 4.599 -1.394 181 HA VAL 25 HA VAL 25 -4.412 6.119 -1.011 182 HB VAL 25 HB VAL 25 -2.187 6.333 -3.040 183 1HG1 VAL 25 1HG1 VAL 25 -4.620 8.064 -2.588 184 2HG1 VAL 25 2HG1 VAL 25 -3.163 8.672 -3.375 185 3HG1 VAL 25 3HG1 VAL 25 -4.069 7.343 -4.099 186 1HG2 VAL 25 1HG2 VAL 25 -1.748 6.787 -0.573 187 2HG2 VAL 25 2HG2 VAL 25 -1.392 8.127 -1.663 188 3HG2 VAL 25 3HG2 VAL 25 -2.876 8.134 -0.710 189 H LEU 26 H LEU 26 -3.198 4.197 -3.783 190 HA LEU 26 HA LEU 26 -5.469 4.608 -5.447 191 1HB LEU 26 1HB LEU 26 -3.519 2.298 -5.279 192 2HB LEU 26 2HB LEU 26 -4.746 2.429 -6.533 193 HG LEU 26 HG LEU 26 -2.676 4.578 -5.979 194 1HD1 LEU 26 1HD1 LEU 26 -1.627 2.445 -6.707 195 2HD1 LEU 26 2HD1 LEU 26 -2.667 2.440 -8.131 196 3HD1 LEU 26 3HD1 LEU 26 -1.465 3.713 -7.921 197 1HD2 LEU 26 1HD2 LEU 26 -4.825 4.167 -8.058 198 2HD2 LEU 26 2HD2 LEU 26 -4.389 5.634 -7.184 199 3HD2 LEU 26 3HD2 LEU 26 -3.364 5.054 -8.490 200 H ALA 27 H ALA 27 -4.845 2.146 -2.962 201 HA ALA 27 HA ALA 27 -7.262 0.654 -3.466 202 1HB ALA 27 1HB ALA 27 -5.394 -0.327 -2.213 203 2HB ALA 27 2HB ALA 27 -5.583 0.889 -0.949 204 3HB ALA 27 3HB ALA 27 -6.847 -0.313 -1.212 205 H ASN 28 H ASN 28 -6.442 3.337 -1.309 206 HA ASN 28 HA ASN 28 -8.859 3.428 0.178 207 1HB ASN 28 1HB ASN 28 -6.833 4.711 0.767 208 2HB ASN 28 2HB ASN 28 -7.058 5.718 -0.661 209 2HD2 ASN 28 2HD2 ASN 28 -7.150 6.499 2.250 210 1HD2 ASN 28 1HD2 ASN 28 -8.673 7.218 2.471 211 H ARG 29 H ARG 29 -8.018 4.894 -2.955 212 HA ARG 29 HA ARG 29 -10.374 6.457 -3.287 213 1HB ARG 29 1HB ARG 29 -8.705 5.058 -5.398 214 2HB ARG 29 2HB ARG 29 -9.878 6.329 -5.718 215 1HG ARG 29 1HG ARG 29 -7.528 6.712 -3.851 216 2HG ARG 29 2HG ARG 29 -7.434 7.070 -5.570 217 1HD ARG 29 1HD ARG 29 -9.223 8.388 -3.507 218 2HD ARG 29 2HD ARG 29 -7.942 9.129 -4.453 219 HE ARG 29 HE ARG 29 -9.699 8.184 -6.371 220 1HH1 ARG 29 1HH1 ARG 29 -11.408 9.430 -7.169 221 2HH1 ARG 29 2HH1 ARG 29 -12.056 10.709 -6.198 222 1HH2 ARG 29 1HH2 ARG 29 -9.884 10.157 -3.552 223 2HH2 ARG 29 2HH2 ARG 29 -11.193 11.121 -4.150 224 H GLU 30 H GLU 30 -9.747 3.039 -4.019 225 HA GLU 30 HA GLU 30 -12.158 2.522 -5.427 226 1HB GLU 30 1HB GLU 30 -10.421 0.758 -3.695 227 2HB GLU 30 2HB GLU 30 -11.821 0.142 -4.569 228 1HG GLU 30 1HG GLU 30 -10.872 0.954 -6.685 229 2HG GLU 30 2HG GLU 30 -9.464 1.572 -5.820 230 H LEU 31 H LEU 31 -11.465 2.508 -1.957 231 HA LEU 31 HA LEU 31 -14.047 1.536 -1.127 232 1HB LEU 31 1HB LEU 31 -12.300 3.465 0.429 233 2HB LEU 31 2HB LEU 31 -13.407 2.248 1.066 234 HG LEU 31 HG LEU 31 -10.852 1.726 -0.466 235 1HD1 LEU 31 1HD1 LEU 31 -11.661 1.454 2.433 236 2HD1 LEU 31 2HD1 LEU 31 -10.294 0.565 1.762 237 3HD1 LEU 31 3HD1 LEU 31 -10.286 2.328 1.759 238 1HD2 LEU 31 1HD2 LEU 31 -13.061 -0.090 0.528 239 2HD2 LEU 31 2HD2 LEU 31 -12.326 -0.035 -1.075 240 3HD2 LEU 31 3HD2 LEU 31 -11.422 -0.695 0.287 241 H ASP 32 H ASP 32 -12.691 4.732 -1.721 242 HA ASP 32 HA ASP 32 -14.836 6.324 -0.791 243 1HB ASP 32 1HB ASP 32 -12.613 7.194 -1.357 244 2HB ASP 32 2HB ASP 32 -12.897 6.837 -3.058 245 H LYS 33 H LYS 33 -14.240 5.138 -4.153 246 HA LYS 33 HA LYS 33 -16.693 6.303 -5.132 247 1HB LYS 33 1HB LYS 33 -16.343 4.844 -7.116 248 2HB LYS 33 2HB LYS 33 -14.893 5.751 -6.686 249 1HG LYS 33 1HG LYS 33 -14.120 3.747 -5.388 250 2HG LYS 33 2HG LYS 33 -15.484 2.854 -6.051 251 1HD LYS 33 1HD LYS 33 -13.313 4.200 -7.687 252 2HD LYS 33 2HD LYS 33 -13.428 2.469 -7.376 253 1HE LYS 33 1HE LYS 33 -14.458 2.638 -9.466 254 2HE LYS 33 2HE LYS 33 -15.848 2.727 -8.385 255 1HZ LYS 33 1HZ LYS 33 -14.658 5.285 -8.813 256 2HZ LYS 33 2HZ LYS 33 -15.134 4.571 -10.276 257 3HZ LYS 33 3HZ LYS 33 -16.270 4.794 -9.032 258 H TYR 34 H TYR 34 -15.870 3.060 -3.907 259 HA TYR 34 HA TYR 34 -18.394 1.834 -4.491 260 1HB TYR 34 1HB TYR 34 -16.602 1.301 -2.101 261 2HB TYR 34 2HB TYR 34 -17.840 0.224 -2.726 262 HD1 TYR 34 HD1 TYR 34 -16.902 1.015 -5.798 263 HD2 TYR 34 HD2 TYR 34 -14.980 -0.533 -2.271 264 HE1 TYR 34 HE1 TYR 34 -15.212 -0.088 -7.201 265 HE2 TYR 34 HE2 TYR 34 -13.287 -1.634 -3.695 266 HH TYR 34 HH TYR 34 -13.363 -2.493 -6.312 267 H GLY 35 H GLY 35 -17.295 3.784 -1.738 268 1HA GLY 35 1HA GLY 35 -20.126 4.381 -1.114 269 2HA GLY 35 2HA GLY 35 -18.720 5.202 -0.437 270 H VAL 36 H VAL 36 -17.458 2.516 0.164 271 HA VAL 36 HA VAL 36 -19.199 1.154 2.021 272 HB VAL 36 HB VAL 36 -17.065 0.089 2.806 273 1HG1 VAL 36 1HG1 VAL 36 -17.558 0.210 -0.181 274 2HG1 VAL 36 2HG1 VAL 36 -16.605 -1.033 0.631 275 3HG1 VAL 36 3HG1 VAL 36 -18.331 -0.888 0.962 276 1HG2 VAL 36 1HG2 VAL 36 -15.633 2.096 2.366 277 2HG2 VAL 36 2HG2 VAL 36 -14.994 0.621 1.641 278 3HG2 VAL 36 3HG2 VAL 36 -15.825 1.808 0.636 279 H SER 37 H SER 37 -17.834 0.916 4.390 280 HA SER 37 HA SER 37 -18.482 3.410 5.696 281 1HB SER 37 1HB SER 37 -17.762 2.328 7.729 282 2HB SER 37 2HB SER 37 -18.600 1.119 6.761 283 HG SER 37 HG SER 37 -16.721 0.175 7.380 284 H ASP 38 H ASP 38 -17.043 4.910 6.669 285 HA ASP 38 HA ASP 38 -14.590 5.385 5.198 286 1HB ASP 38 1HB ASP 38 -15.804 6.691 7.648 287 2HB ASP 38 2HB ASP 38 -14.308 7.249 6.896 288 H TYR 39 H TYR 39 -15.362 3.570 8.004 289 HA TYR 39 HA TYR 39 -12.957 3.779 9.498 290 1HB TYR 39 1HB TYR 39 -14.878 2.675 10.442 291 2HB TYR 39 2HB TYR 39 -14.902 1.485 9.142 292 HD1 TYR 39 HD1 TYR 39 -13.278 -0.313 9.041 293 HD2 TYR 39 HD2 TYR 39 -13.190 2.567 12.224 294 HE1 TYR 39 HE1 TYR 39 -11.737 -1.769 10.309 295 HE2 TYR 39 HE2 TYR 39 -11.645 1.106 13.501 296 HH TYR 39 HH TYR 39 -11.016 -2.151 12.578 297 H TYR 40 H TYR 40 -13.770 1.615 6.790 298 HA TYR 40 HA TYR 40 -11.445 0.000 6.870 299 1HB TYR 40 1HB TYR 40 -13.142 0.863 4.514 300 2HB TYR 40 2HB TYR 40 -11.915 -0.400 4.439 301 HD1 TYR 40 HD1 TYR 40 -12.094 -2.214 6.403 302 HD2 TYR 40 HD2 TYR 40 -15.343 0.201 4.963 303 HE1 TYR 40 HE1 TYR 40 -13.718 -3.867 7.290 304 HE2 TYR 40 HE2 TYR 40 -16.965 -1.449 5.853 305 HH TYR 40 HH TYR 40 -15.895 -4.229 7.768 306 H LYS 41 H LYS 41 -11.883 3.212 5.336 307 HA LYS 41 HA LYS 41 -9.487 3.129 3.812 308 1HB LYS 41 1HB LYS 41 -9.849 5.383 3.376 309 2HB LYS 41 2HB LYS 41 -11.460 4.912 3.904 310 1HG LYS 41 1HG LYS 41 -10.745 5.640 6.254 311 2HG LYS 41 2HG LYS 41 -9.338 6.371 5.494 312 1HD LYS 41 1HD LYS 41 -12.193 6.985 4.672 313 2HD LYS 41 2HD LYS 41 -11.278 7.956 5.823 314 1HE LYS 41 1HE LYS 41 -9.484 8.161 4.004 315 2HE LYS 41 2HE LYS 41 -10.684 7.503 2.893 316 1HZ LYS 41 1HZ LYS 41 -11.180 9.869 4.607 317 2HZ LYS 41 2HZ LYS 41 -10.598 9.977 3.013 318 3HZ LYS 41 3HZ LYS 41 -12.130 9.307 3.318 319 H ASN 42 H ASN 42 -10.093 4.048 7.172 320 HA ASN 42 HA ASN 42 -7.476 4.966 7.778 321 1HB ASN 42 1HB ASN 42 -9.396 5.263 9.306 322 2HB ASN 42 2HB ASN 42 -9.447 3.521 9.575 323 2HD2 ASN 42 2HD2 ASN 42 -6.693 5.869 9.495 324 1HD2 ASN 42 1HD2 ASN 42 -6.091 5.425 11.019 325 H LEU 43 H LEU 43 -8.906 1.741 7.783 326 HA LEU 43 HA LEU 43 -6.688 0.365 8.909 327 1HB LEU 43 1HB LEU 43 -8.926 -0.647 8.679 328 2HB LEU 43 2HB LEU 43 -8.758 -0.631 6.926 329 HG LEU 43 HG LEU 43 -6.805 -2.134 7.103 330 1HD1 LEU 43 1HD1 LEU 43 -7.353 -1.789 10.051 331 2HD1 LEU 43 2HD1 LEU 43 -6.603 -3.273 9.461 332 3HD1 LEU 43 3HD1 LEU 43 -5.809 -1.727 9.199 333 1HD2 LEU 43 1HD2 LEU 43 -9.135 -3.026 6.888 334 2HD2 LEU 43 2HD2 LEU 43 -8.050 -4.138 7.723 335 3HD2 LEU 43 3HD2 LEU 43 -9.203 -3.172 8.644 336 H ILE 44 H ILE 44 -7.463 1.246 5.546 337 HA ILE 44 HA ILE 44 -5.333 -0.168 4.268 338 HB ILE 44 HB ILE 44 -6.458 2.557 3.511 339 1HG1 ILE 44 1HG1 ILE 44 -8.314 1.028 3.633 340 2HG1 ILE 44 2HG1 ILE 44 -7.902 1.208 1.934 341 1HG2 ILE 44 1HG2 ILE 44 -5.021 0.431 1.897 342 2HG2 ILE 44 2HG2 ILE 44 -5.765 1.878 1.217 343 3HG2 ILE 44 3HG2 ILE 44 -4.398 2.026 2.320 344 1HD1 ILE 44 1HD1 ILE 44 -6.401 -0.895 2.326 345 2HD1 ILE 44 2HD1 ILE 44 -7.406 -1.131 3.755 346 3HD1 ILE 44 3HD1 ILE 44 -8.143 -1.109 2.155 347 H ASN 45 H ASN 45 -5.493 3.009 5.808 348 HA ASN 45 HA ASN 45 -2.887 3.920 5.135 349 1HB ASN 45 1HB ASN 45 -4.609 5.376 6.154 350 2HB ASN 45 2HB ASN 45 -4.490 4.461 7.657 351 2HD2 ASN 45 2HD2 ASN 45 -3.853 6.782 8.448 352 1HD2 ASN 45 1HD2 ASN 45 -2.204 7.177 8.372 353 H ASN 46 H ASN 46 -4.043 1.898 7.816 354 HA ASN 46 HA ASN 46 -1.275 1.615 8.847 355 1HB ASN 46 1HB ASN 46 -3.295 1.977 10.346 356 2HB ASN 46 2HB ASN 46 -3.799 0.342 9.919 357 2HD2 ASN 46 2HD2 ASN 46 -3.444 0.014 12.369 358 1HD2 ASN 46 1HD2 ASN 46 -1.876 -0.385 12.883 359 H ALA 47 H ALA 47 -2.416 0.324 6.248 360 HA ALA 47 HA ALA 47 -2.606 -2.492 6.660 361 1HB ALA 47 1HB ALA 47 -3.224 -1.658 4.508 362 2HB ALA 47 2HB ALA 47 -1.762 -2.607 4.241 363 3HB ALA 47 3HB ALA 47 -1.672 -0.848 4.297 364 H LYS 48 H LYS 48 -1.028 -4.077 6.874 365 HA LYS 48 HA LYS 48 1.509 -3.348 7.936 366 1HB LYS 48 1HB LYS 48 0.497 -5.958 6.790 367 2HB LYS 48 2HB LYS 48 2.069 -5.786 7.569 368 1HG LYS 48 1HG LYS 48 1.010 -5.046 9.640 369 2HG LYS 48 2HG LYS 48 -0.574 -5.070 8.870 370 1HD LYS 48 1HD LYS 48 -0.515 -7.118 10.033 371 2HD LYS 48 2HD LYS 48 -0.075 -7.575 8.389 372 1HE LYS 48 1HE LYS 48 1.410 -8.610 10.107 373 2HE LYS 48 2HE LYS 48 2.297 -7.585 8.986 374 1HZ LYS 48 1HZ LYS 48 1.263 -6.559 11.559 375 2HZ LYS 48 2HZ LYS 48 2.783 -7.310 11.443 376 3HZ LYS 48 3HZ LYS 48 2.464 -5.889 10.567 377 H THR 49 H THR 49 0.606 -4.372 4.635 378 HA THR 49 HA THR 49 2.905 -2.979 3.541 379 HB THR 49 HB THR 49 3.002 -5.961 3.078 380 HG1 THR 49 HG1 THR 49 3.616 -6.277 5.038 381 1HG2 THR 49 1HG2 THR 49 4.384 -4.204 1.799 382 2HG2 THR 49 2HG2 THR 49 5.266 -3.975 3.308 383 3HG2 THR 49 3HG2 THR 49 5.270 -5.549 2.513 384 H VAL 50 H VAL 50 2.994 -3.357 1.092 385 HA VAL 50 HA VAL 50 0.443 -3.022 -0.077 386 HB VAL 50 HB VAL 50 2.550 -2.356 -1.161 387 1HG1 VAL 50 1HG1 VAL 50 3.768 -4.474 -0.461 388 2HG1 VAL 50 2HG1 VAL 50 2.920 -5.301 -1.767 389 3HG1 VAL 50 3HG1 VAL 50 4.035 -3.984 -2.134 390 1HG2 VAL 50 1HG2 VAL 50 0.425 -2.792 -2.462 391 2HG2 VAL 50 2HG2 VAL 50 1.903 -2.949 -3.411 392 3HG2 VAL 50 3HG2 VAL 50 1.065 -4.392 -2.841 393 H GLU 51 H GLU 51 2.298 -5.937 0.569 394 HA GLU 51 HA GLU 51 0.841 -7.731 -1.094 395 1HB GLU 51 1HB GLU 51 2.225 -8.163 1.571 396 2HB GLU 51 2HB GLU 51 1.569 -9.474 0.588 397 1HG GLU 51 1HG GLU 51 3.585 -7.462 -0.444 398 2HG GLU 51 2HG GLU 51 4.033 -9.031 0.226 399 H GLY 52 H GLY 52 0.177 -6.358 2.076 400 1HA GLY 52 1HA GLY 52 -1.650 -6.779 3.544 401 2HA GLY 52 2HA GLY 52 -2.239 -8.010 2.427 402 H VAL 53 H VAL 53 -1.400 -5.000 0.943 403 HA VAL 53 HA VAL 53 -3.867 -3.601 1.392 404 HB VAL 53 HB VAL 53 -1.789 -3.392 -0.797 405 1HG1 VAL 53 1HG1 VAL 53 -4.329 -1.816 -0.321 406 2HG1 VAL 53 2HG1 VAL 53 -2.954 -1.119 -1.177 407 3HG1 VAL 53 3HG1 VAL 53 -3.766 -2.545 -1.825 408 1HG2 VAL 53 1HG2 VAL 53 -1.177 -2.746 1.548 409 2HG2 VAL 53 2HG2 VAL 53 -1.148 -1.378 0.434 410 3HG2 VAL 53 3HG2 VAL 53 -2.506 -1.589 1.539 411 H LYS 54 H LYS 54 -2.854 -5.627 -1.434 412 HA LYS 54 HA LYS 54 -5.475 -5.321 -2.631 413 1HB LYS 54 1HB LYS 54 -4.699 -6.588 -4.424 414 2HB LYS 54 2HB LYS 54 -3.215 -5.886 -3.801 415 1HG LYS 54 1HG LYS 54 -4.157 -8.674 -3.038 416 2HG LYS 54 2HG LYS 54 -3.102 -8.343 -4.398 417 1HD LYS 54 1HD LYS 54 -1.459 -7.293 -2.916 418 2HD LYS 54 2HD LYS 54 -2.509 -7.589 -1.531 419 1HE LYS 54 1HE LYS 54 -0.712 -9.329 -1.812 420 2HE LYS 54 2HE LYS 54 -2.345 -9.993 -1.847 421 1HZ LYS 54 1HZ LYS 54 -0.899 -9.208 -4.307 422 2HZ LYS 54 2HZ LYS 54 -0.774 -10.765 -3.642 423 3HZ LYS 54 3HZ LYS 54 -2.280 -10.183 -4.170 424 H ALA 55 H ALA 55 -3.994 -7.855 -0.638 425 HA ALA 55 HA ALA 55 -6.180 -9.709 -0.856 426 1HB ALA 55 1HB ALA 55 -5.232 -10.593 1.344 427 2HB ALA 55 2HB ALA 55 -4.034 -9.302 1.237 428 3HB ALA 55 3HB ALA 55 -4.104 -10.547 -0.010 429 H LEU 56 H LEU 56 -5.551 -6.939 1.191 430 HA LEU 56 HA LEU 56 -7.720 -7.429 3.014 431 1HB LEU 56 1HB LEU 56 -5.890 -5.974 3.647 432 2HB LEU 56 2HB LEU 56 -6.250 -4.883 2.312 433 HG LEU 56 HG LEU 56 -8.427 -4.345 3.306 434 1HD1 LEU 56 1HD1 LEU 56 -7.611 -6.484 5.274 435 2HD1 LEU 56 2HD1 LEU 56 -8.728 -5.208 5.757 436 3HD1 LEU 56 3HD1 LEU 56 -9.147 -6.286 4.429 437 1HD2 LEU 56 1HD2 LEU 56 -6.242 -3.199 4.028 438 2HD2 LEU 56 2HD2 LEU 56 -7.624 -3.016 5.108 439 3HD2 LEU 56 3HD2 LEU 56 -6.351 -4.171 5.497 440 H ILE 57 H ILE 57 -7.370 -5.598 0.001 441 HA ILE 57 HA ILE 57 -10.068 -4.547 0.050 442 HB ILE 57 HB ILE 57 -8.195 -5.056 -2.274 443 1HG1 ILE 57 1HG1 ILE 57 -7.533 -3.402 -0.354 444 2HG1 ILE 57 2HG1 ILE 57 -7.393 -2.851 -2.019 445 1HG2 ILE 57 1HG2 ILE 57 -10.864 -3.684 -2.072 446 2HG2 ILE 57 2HG2 ILE 57 -9.693 -3.177 -3.291 447 3HG2 ILE 57 3HG2 ILE 57 -10.286 -4.835 -3.276 448 1HD1 ILE 57 1HD1 ILE 57 -10.008 -2.359 -0.645 449 2HD1 ILE 57 2HD1 ILE 57 -8.625 -1.395 -0.128 450 3HD1 ILE 57 3HD1 ILE 57 -9.142 -1.364 -1.812 451 H ASP 58 H ASP 58 -8.494 -7.406 -1.329 452 HA ASP 58 HA ASP 58 -10.806 -8.367 -2.743 453 1HB ASP 58 1HB ASP 58 -8.341 -9.775 -1.705 454 2HB ASP 58 2HB ASP 58 -9.570 -10.574 -2.682 455 H GLU 59 H GLU 59 -9.598 -9.021 0.561 456 HA GLU 59 HA GLU 59 -11.627 -11.016 1.068 457 1HB GLU 59 1HB GLU 59 -10.837 -11.070 3.303 458 2HB GLU 59 2HB GLU 59 -9.406 -10.680 2.352 459 1HG GLU 59 1HG GLU 59 -9.823 -8.279 2.824 460 2HG GLU 59 2HG GLU 59 -11.117 -8.739 3.920 461 H ILE 60 H ILE 60 -11.376 -7.531 1.534 462 HA ILE 60 HA ILE 60 -13.863 -7.282 2.970 463 HB ILE 60 HB ILE 60 -12.222 -5.296 1.378 464 1HG1 ILE 60 1HG1 ILE 60 -12.675 -5.543 4.363 465 2HG1 ILE 60 2HG1 ILE 60 -11.313 -6.289 3.530 466 1HG2 ILE 60 1HG2 ILE 60 -14.752 -4.925 3.000 467 2HG2 ILE 60 2HG2 ILE 60 -13.645 -3.595 2.657 468 3HG2 ILE 60 3HG2 ILE 60 -14.454 -4.431 1.334 469 1HD1 ILE 60 1HD1 ILE 60 -10.657 -4.039 2.666 470 2HD1 ILE 60 2HD1 ILE 60 -11.971 -3.327 3.603 471 3HD1 ILE 60 3HD1 ILE 60 -10.627 -4.118 4.428 472 H LEU 61 H LEU 61 -12.939 -7.019 -0.450 473 HA LEU 61 HA LEU 61 -15.604 -6.363 -1.359 474 1HB LEU 61 1HB LEU 61 -13.143 -7.437 -2.764 475 2HB LEU 61 2HB LEU 61 -14.660 -7.149 -3.619 476 HG LEU 61 HG LEU 61 -13.116 -5.059 -2.047 477 1HD1 LEU 61 1HD1 LEU 61 -12.075 -5.958 -4.214 478 2HD1 LEU 61 2HD1 LEU 61 -13.460 -5.254 -5.048 479 3HD1 LEU 61 3HD1 LEU 61 -12.354 -4.217 -4.150 480 1HD2 LEU 61 1HD2 LEU 61 -15.750 -5.067 -3.501 481 2HD2 LEU 61 2HD2 LEU 61 -15.276 -4.191 -2.045 482 3HD2 LEU 61 3HD2 LEU 61 -14.752 -3.616 -3.622 483 H ALA 62 H ALA 62 -13.784 -9.380 -1.005 484 HA ALA 62 HA ALA 62 -15.715 -11.095 -2.226 485 1HB ALA 62 1HB ALA 62 -13.765 -11.686 0.023 486 2HB ALA 62 2HB ALA 62 -13.431 -11.847 -1.701 487 3HB ALA 62 3HB ALA 62 -14.618 -12.901 -0.930 488 H ALA 63 H ALA 63 -15.473 -9.714 1.006 489 HA ALA 63 HA ALA 63 -17.376 -11.364 2.326 490 1HB ALA 63 1HB ALA 63 -17.574 -9.559 3.941 491 2HB ALA 63 2HB ALA 63 -15.887 -9.679 3.440 492 3HB ALA 63 3HB ALA 63 -16.912 -8.402 2.785 493 H LEU 64 H LEU 64 -17.818 -8.439 0.342 494 HA LEU 64 HA LEU 64 -20.656 -8.269 0.807 495 1HB LEU 64 1HB LEU 64 -18.986 -7.241 -1.511 496 2HB LEU 64 2HB LEU 64 -20.636 -6.739 -1.162 497 HG LEU 64 HG LEU 64 -18.392 -6.466 0.853 498 1HD1 LEU 64 1HD1 LEU 64 -17.810 -5.195 -1.177 499 2HD1 LEU 64 2HD1 LEU 64 -19.389 -4.411 -1.142 500 3HD1 LEU 64 3HD1 LEU 64 -18.226 -4.107 0.148 501 1HD2 LEU 64 1HD2 LEU 64 -21.205 -5.371 0.596 502 2HD2 LEU 64 2HD2 LEU 64 -20.495 -6.261 1.943 503 3HD2 LEU 64 3HD2 LEU 64 -20.008 -4.597 1.632 504 HA PRO 65 HA PRO 65 -22.015 -11.631 -1.788 505 1HB PRO 65 1HB PRO 65 -24.266 -10.329 -2.961 506 2HB PRO 65 2HB PRO 65 -24.257 -11.323 -1.500 507 1HG PRO 65 1HG PRO 65 -24.412 -8.387 -1.752 508 2HG PRO 65 2HG PRO 65 -24.858 -9.417 -0.385 509 1HD PRO 65 1HD PRO 65 -22.590 -7.767 -0.489 510 2HD PRO 65 2HD PRO 65 -22.809 -9.131 0.633 No H/Q in entry = 510 Start of MODEL 21 1 H1 MET 1 H1 MET 1 21.673 16.500 -20.779 2 H2 MET 1 H2 MET 1 22.061 14.906 -21.219 3 H3 MET 1 H3 MET 1 20.768 15.201 -20.162 4 HA MET 1 HA MET 1 22.143 15.771 -18.398 5 1HB MET 1 1HB MET 1 22.187 13.348 -18.951 6 2HB MET 1 2HB MET 1 23.601 13.621 -19.969 7 1HG MET 1 1HG MET 1 24.875 14.412 -18.030 8 2HG MET 1 2HG MET 1 23.458 14.220 -17.000 9 1HE MET 1 1HE MET 1 22.671 12.157 -15.958 10 2HE MET 1 2HE MET 1 23.835 10.866 -15.631 11 3HE MET 1 3HE MET 1 24.241 12.539 -15.257 12 H LYS 2 H LYS 2 24.236 16.516 -17.615 13 HA LYS 2 HA LYS 2 25.458 18.495 -19.253 14 1HB LYS 2 1HB LYS 2 25.553 18.495 -16.771 15 2HB LYS 2 2HB LYS 2 26.616 17.090 -16.821 16 1HG LYS 2 1HG LYS 2 28.286 18.394 -18.094 17 2HG LYS 2 2HG LYS 2 27.223 19.800 -18.044 18 1HD LYS 2 1HD LYS 2 27.322 19.784 -15.576 19 2HD LYS 2 2HD LYS 2 28.392 18.384 -15.631 20 1HE LYS 2 1HE LYS 2 28.998 21.077 -16.886 21 2HE LYS 2 2HE LYS 2 29.653 20.508 -15.351 22 1HZ LYS 2 1HZ LYS 2 30.613 18.609 -16.542 23 2HZ LYS 2 2HZ LYS 2 30.050 19.247 -18.009 24 3HZ LYS 2 3HZ LYS 2 31.217 20.093 -17.109 25 H ALA 3 H ALA 3 26.430 15.145 -18.537 26 HA ALA 3 HA ALA 3 27.976 15.065 -21.027 27 1HB ALA 3 1HB ALA 3 29.617 16.077 -19.500 28 2HB ALA 3 2HB ALA 3 30.102 14.431 -19.909 29 3HB ALA 3 3HB ALA 3 29.364 14.770 -18.343 30 H ILE 4 H ILE 4 28.746 12.838 -21.470 31 HA ILE 4 HA ILE 4 26.827 10.846 -20.779 32 HB ILE 4 HB ILE 4 29.678 10.482 -21.755 33 1HG1 ILE 4 1HG1 ILE 4 28.425 11.887 -23.299 34 2HG1 ILE 4 2HG1 ILE 4 28.592 10.282 -24.004 35 1HG2 ILE 4 1HG2 ILE 4 27.292 8.624 -21.689 36 2HG2 ILE 4 2HG2 ILE 4 28.727 8.325 -22.670 37 3HG2 ILE 4 3HG2 ILE 4 28.858 8.391 -20.912 38 1HD1 ILE 4 1HD1 ILE 4 26.252 9.857 -22.835 39 2HD1 ILE 4 2HD1 ILE 4 26.147 11.616 -22.883 40 3HD1 ILE 4 3HD1 ILE 4 26.333 10.703 -24.378 41 H PHE 5 H PHE 5 30.069 11.519 -19.474 42 HA PHE 5 HA PHE 5 30.152 9.304 -17.663 43 1HB PHE 5 1HB PHE 5 32.143 10.654 -18.243 44 2HB PHE 5 2HB PHE 5 31.441 12.042 -17.413 45 HD1 PHE 5 HD1 PHE 5 31.271 12.106 -14.971 46 HD2 PHE 5 HD2 PHE 5 32.983 8.726 -16.997 47 HE1 PHE 5 HE1 PHE 5 32.211 11.292 -12.824 48 HE2 PHE 5 HE2 PHE 5 33.921 7.913 -14.849 49 HZ PHE 5 HZ PHE 5 33.534 9.197 -12.763 50 H VAL 6 H VAL 6 29.348 9.093 -15.561 51 HA VAL 6 HA VAL 6 27.375 11.165 -14.711 52 HB VAL 6 HB VAL 6 27.835 8.363 -13.641 53 1HG1 VAL 6 1HG1 VAL 6 25.603 10.383 -13.265 54 2HG1 VAL 6 2HG1 VAL 6 25.537 8.709 -12.712 55 3HG1 VAL 6 3HG1 VAL 6 26.727 9.817 -12.029 56 1HG2 VAL 6 1HG2 VAL 6 25.892 9.451 -15.700 57 2HG2 VAL 6 2HG2 VAL 6 27.122 8.212 -15.949 58 3HG2 VAL 6 3HG2 VAL 6 25.720 7.872 -14.934 59 H LEU 7 H LEU 7 28.083 12.629 -13.254 60 HA LEU 7 HA LEU 7 30.397 11.969 -11.505 61 1HB LEU 7 1HB LEU 7 29.855 14.540 -10.861 62 2HB LEU 7 2HB LEU 7 30.828 14.113 -12.264 63 HG LEU 7 HG LEU 7 27.842 14.262 -12.625 64 1HD1 LEU 7 1HD1 LEU 7 29.664 16.683 -12.520 65 2HD1 LEU 7 2HD1 LEU 7 27.985 16.683 -13.059 66 3HD1 LEU 7 3HD1 LEU 7 28.371 16.317 -11.378 67 1HD2 LEU 7 1HD2 LEU 7 29.378 13.558 -14.477 68 2HD2 LEU 7 2HD2 LEU 7 28.503 15.039 -14.859 69 3HD2 LEU 7 3HD2 LEU 7 30.191 15.115 -14.356 70 H ASN 8 H ASN 8 26.989 12.953 -11.312 71 HA ASN 8 HA ASN 8 26.800 11.679 -8.658 72 1HB ASN 8 1HB ASN 8 27.480 14.099 -8.263 73 2HB ASN 8 2HB ASN 8 25.944 14.567 -8.997 74 2HD2 ASN 8 2HD2 ASN 8 24.405 14.982 -7.409 75 1HD2 ASN 8 1HD2 ASN 8 24.252 14.128 -5.950 76 H ALA 9 H ALA 9 24.528 11.393 -8.026 77 HA ALA 9 HA ALA 9 22.826 10.829 -10.293 78 1HB ALA 9 1HB ALA 9 22.053 10.981 -7.365 79 2HB ALA 9 2HB ALA 9 22.781 9.564 -8.122 80 3HB ALA 9 3HB ALA 9 21.191 10.123 -8.642 81 H GLN 10 H GLN 10 20.927 11.936 -10.945 82 HA GLN 10 HA GLN 10 20.961 14.778 -10.753 83 1HB GLN 10 1HB GLN 10 19.812 13.539 -12.569 84 2HB GLN 10 2HB GLN 10 18.620 12.958 -11.408 85 1HG GLN 10 1HG GLN 10 17.947 15.288 -10.929 86 2HG GLN 10 2HG GLN 10 19.140 15.869 -12.091 87 2HE2 GLN 10 2HE2 GLN 10 17.939 16.564 -13.878 88 1HE2 GLN 10 1HE2 GLN 10 16.728 15.651 -14.639 89 H HIS 11 H HIS 11 19.126 12.326 -8.954 90 HA HIS 11 HA HIS 11 18.610 14.355 -6.828 91 1HB HIS 11 1HB HIS 11 16.532 12.593 -8.156 92 2HB HIS 11 2HB HIS 11 16.282 13.359 -6.589 93 HD1 HIS 11 HD1 HIS 11 15.876 13.971 -10.131 94 HD2 HIS 11 HD2 HIS 11 16.665 16.347 -6.799 95 HE1 HIS 11 HE1 HIS 11 15.333 16.351 -10.804 96 H ASP 12 H ASP 12 17.822 13.180 -4.786 97 HA ASP 12 HA ASP 12 19.654 11.019 -4.212 98 1HB ASP 12 1HB ASP 12 17.331 12.201 -2.667 99 2HB ASP 12 2HB ASP 12 18.371 10.929 -2.023 100 H GLU 13 H GLU 13 18.885 9.568 -5.991 101 HA GLU 13 HA GLU 13 16.240 8.349 -5.719 102 1HB GLU 13 1HB GLU 13 17.341 8.578 -7.930 103 2HB GLU 13 2HB GLU 13 18.628 7.501 -7.390 104 1HG GLU 13 1HG GLU 13 16.978 5.693 -7.046 105 2HG GLU 13 2HG GLU 13 15.689 6.770 -7.586 106 H ALA 14 H ALA 14 15.763 6.545 -4.539 107 HA ALA 14 HA ALA 14 17.849 4.611 -3.814 108 1HB ALA 14 1HB ALA 14 16.423 6.213 -1.667 109 2HB ALA 14 2HB ALA 14 17.515 4.857 -1.384 110 3HB ALA 14 3HB ALA 14 18.131 6.356 -2.081 111 H VAL 15 H VAL 15 15.768 4.204 -1.409 112 HA VAL 15 HA VAL 15 14.309 2.102 -2.759 113 HB VAL 15 HB VAL 15 13.954 3.343 -0.013 114 1HG1 VAL 15 1HG1 VAL 15 12.663 0.951 -1.344 115 2HG1 VAL 15 2HG1 VAL 15 12.733 1.132 0.409 116 3HG1 VAL 15 3HG1 VAL 15 11.867 2.320 -0.567 117 1HG2 VAL 15 1HG2 VAL 15 15.331 0.834 -1.019 118 2HG2 VAL 15 2HG2 VAL 15 16.098 2.230 -0.261 119 3HG2 VAL 15 3HG2 VAL 15 15.043 1.180 0.686 120 H ASP 16 H ASP 16 12.332 2.213 -3.733 121 HA ASP 16 HA ASP 16 11.057 4.842 -3.998 122 1HB ASP 16 1HB ASP 16 10.412 2.108 -5.129 123 2HB ASP 16 2HB ASP 16 9.452 3.549 -5.468 124 H ALA 17 H ALA 17 10.522 4.970 -1.647 125 HA ALA 17 HA ALA 17 8.589 3.151 -0.496 126 1HB ALA 17 1HB ALA 17 8.417 4.824 1.299 127 2HB ALA 17 2HB ALA 17 9.285 5.995 0.305 128 3HB ALA 17 3HB ALA 17 10.109 4.547 0.883 129 H ASN 18 H ASN 18 8.399 5.861 -2.622 130 HA ASN 18 HA ASN 18 5.782 6.811 -2.050 131 1HB ASN 18 1HB ASN 18 7.345 6.695 -4.640 132 2HB ASN 18 2HB ASN 18 5.795 7.523 -4.480 133 2HD2 ASN 18 2HD2 ASN 18 6.053 8.683 -1.924 134 1HD2 ASN 18 1HD2 ASN 18 7.328 9.804 -1.940 135 H SER 19 H SER 19 6.868 4.115 -4.115 136 HA SER 19 HA SER 19 4.329 3.514 -5.256 137 1HB SER 19 1HB SER 19 5.242 1.332 -5.760 138 2HB SER 19 2HB SER 19 6.535 2.512 -5.956 139 HG SER 19 HG SER 19 7.557 1.625 -4.345 140 H LEU 20 H LEU 20 5.839 2.389 -2.224 141 HA LEU 20 HA LEU 20 3.754 0.608 -1.461 142 1HB LEU 20 1HB LEU 20 5.930 0.667 -0.308 143 2HB LEU 20 2HB LEU 20 5.580 2.286 0.291 144 HG LEU 20 HG LEU 20 3.642 1.409 1.552 145 1HD1 LEU 20 1HD1 LEU 20 4.430 -1.141 0.149 146 2HD1 LEU 20 2HD1 LEU 20 3.651 -1.219 1.729 147 3HD1 LEU 20 3HD1 LEU 20 2.824 -0.446 0.379 148 1HD2 LEU 20 1HD2 LEU 20 6.344 0.115 1.958 149 2HD2 LEU 20 2HD2 LEU 20 5.638 1.477 2.827 150 3HD2 LEU 20 3HD2 LEU 20 5.017 -0.153 3.088 151 H ALA 21 H ALA 21 4.255 4.043 -0.642 152 HA ALA 21 HA ALA 21 1.790 4.308 0.787 153 1HB ALA 21 1HB ALA 21 3.808 5.846 0.927 154 2HB ALA 21 2HB ALA 21 3.288 6.530 -0.612 155 3HB ALA 21 3HB ALA 21 2.247 6.659 0.807 156 H GLU 22 H GLU 22 2.706 4.886 -2.593 157 HA GLU 22 HA GLU 22 0.284 6.124 -3.439 158 1HB GLU 22 1HB GLU 22 2.384 5.953 -4.815 159 2HB GLU 22 2HB GLU 22 2.012 4.249 -5.079 160 1HG GLU 22 1HG GLU 22 -0.099 4.831 -6.147 161 2HG GLU 22 2HG GLU 22 0.172 6.542 -5.812 162 H ALA 23 H ALA 23 1.166 2.677 -3.160 163 HA ALA 23 HA ALA 23 -1.158 1.606 -4.396 164 1HB ALA 23 1HB ALA 23 -0.750 -0.349 -2.735 165 2HB ALA 23 2HB ALA 23 0.540 0.036 -3.874 166 3HB ALA 23 3HB ALA 23 0.652 0.584 -2.204 167 H LYS 24 H LYS 24 -0.576 2.709 -1.078 168 HA LYS 24 HA LYS 24 -3.158 1.942 -0.061 169 1HB LYS 24 1HB LYS 24 -1.207 4.086 0.840 170 2HB LYS 24 2HB LYS 24 -2.632 3.586 1.756 171 1HG LYS 24 1HG LYS 24 -1.776 1.269 1.834 172 2HG LYS 24 2HG LYS 24 -0.351 1.768 0.924 173 1HD LYS 24 1HD LYS 24 0.267 3.330 2.733 174 2HD LYS 24 2HD LYS 24 -1.157 2.830 3.645 175 1HE LYS 24 1HE LYS 24 0.821 1.613 4.443 176 2HE LYS 24 2HE LYS 24 -0.308 0.500 3.670 177 1HZ LYS 24 1HZ LYS 24 1.895 1.768 2.163 178 2HZ LYS 24 2HZ LYS 24 2.129 0.327 3.027 179 3HZ LYS 24 3HZ LYS 24 0.998 0.383 1.761 180 H VAL 25 H VAL 25 -1.892 4.903 -1.565 181 HA VAL 25 HA VAL 25 -4.256 6.493 -1.217 182 HB VAL 25 HB VAL 25 -2.001 6.619 -3.237 183 1HG1 VAL 25 1HG1 VAL 25 -4.321 8.502 -2.753 184 2HG1 VAL 25 2HG1 VAL 25 -2.844 8.990 -3.582 185 3HG1 VAL 25 3HG1 VAL 25 -3.866 7.729 -4.271 186 1HG2 VAL 25 1HG2 VAL 25 -1.461 7.017 -0.830 187 2HG2 VAL 25 2HG2 VAL 25 -1.217 8.454 -1.824 188 3HG2 VAL 25 3HG2 VAL 25 -2.653 8.317 -0.809 189 H LEU 26 H LEU 26 -3.127 4.454 -3.929 190 HA LEU 26 HA LEU 26 -5.385 4.921 -5.628 191 1HB LEU 26 1HB LEU 26 -3.468 2.586 -5.392 192 2HB LEU 26 2HB LEU 26 -4.708 2.673 -6.640 193 HG LEU 26 HG LEU 26 -2.559 4.775 -6.205 194 1HD1 LEU 26 1HD1 LEU 26 -2.744 2.476 -8.180 195 2HD1 LEU 26 2HD1 LEU 26 -1.561 3.780 -8.284 196 3HD1 LEU 26 3HD1 LEU 26 -1.535 2.674 -6.911 197 1HD2 LEU 26 1HD2 LEU 26 -4.782 4.384 -8.218 198 2HD2 LEU 26 2HD2 LEU 26 -4.293 5.860 -7.384 199 3HD2 LEU 26 3HD2 LEU 26 -3.309 5.227 -8.695 200 H ALA 27 H ALA 27 -4.758 2.480 -3.126 201 HA ALA 27 HA ALA 27 -7.260 1.082 -3.513 202 1HB ALA 27 1HB ALA 27 -5.178 0.182 -2.346 203 2HB ALA 27 2HB ALA 27 -5.625 1.184 -0.966 204 3HB ALA 27 3HB ALA 27 -6.702 -0.105 -1.506 205 H ASN 28 H ASN 28 -6.208 3.798 -1.540 206 HA ASN 28 HA ASN 28 -8.430 3.972 0.222 207 1HB ASN 28 1HB ASN 28 -6.355 5.298 0.482 208 2HB ASN 28 2HB ASN 28 -6.775 6.226 -0.957 209 2HD2 ASN 28 2HD2 ASN 28 -7.602 5.682 2.435 210 1HD2 ASN 28 1HD2 ASN 28 -8.647 7.013 2.581 211 H ARG 29 H ARG 29 -7.934 5.480 -2.992 212 HA ARG 29 HA ARG 29 -10.519 6.766 -2.998 213 1HB ARG 29 1HB ARG 29 -8.612 6.067 -5.251 214 2HB ARG 29 2HB ARG 29 -10.100 6.985 -5.484 215 1HG ARG 29 1HG ARG 29 -9.258 8.607 -3.725 216 2HG ARG 29 2HG ARG 29 -7.711 7.762 -3.795 217 1HD ARG 29 1HD ARG 29 -9.107 9.149 -6.102 218 2HD ARG 29 2HD ARG 29 -7.639 9.692 -5.289 219 HE ARG 29 HE ARG 29 -6.954 7.178 -6.178 220 1HH1 ARG 29 1HH1 ARG 29 -6.085 6.792 -8.237 221 2HH1 ARG 29 2HH1 ARG 29 -6.418 7.904 -9.523 222 1HH2 ARG 29 1HH2 ARG 29 -8.363 10.001 -7.565 223 2HH2 ARG 29 2HH2 ARG 29 -7.707 9.720 -9.143 224 H GLU 30 H GLU 30 -9.395 3.569 -3.876 225 HA GLU 30 HA GLU 30 -11.546 2.777 -5.560 226 1HB GLU 30 1HB GLU 30 -9.488 1.439 -5.247 227 2HB GLU 30 2HB GLU 30 -9.970 1.093 -3.587 228 1HG GLU 30 1HG GLU 30 -12.001 -0.042 -4.401 229 2HG GLU 30 2HG GLU 30 -11.542 0.322 -6.065 230 H LEU 31 H LEU 31 -11.267 2.754 -2.011 231 HA LEU 31 HA LEU 31 -13.706 1.377 -1.457 232 1HB LEU 31 1HB LEU 31 -12.595 3.683 0.163 233 2HB LEU 31 2HB LEU 31 -13.572 2.336 0.741 234 HG LEU 31 HG LEU 31 -10.766 2.185 -0.360 235 1HD1 LEU 31 1HD1 LEU 31 -11.975 1.984 2.406 236 2HD1 LEU 31 2HD1 LEU 31 -10.415 1.254 2.039 237 3HD1 LEU 31 3HD1 LEU 31 -10.633 2.992 1.862 238 1HD2 LEU 31 1HD2 LEU 31 -12.777 0.063 0.428 239 2HD2 LEU 31 2HD2 LEU 31 -11.779 0.148 -1.025 240 3HD2 LEU 31 3HD2 LEU 31 -11.045 -0.257 0.524 241 H ASP 32 H ASP 32 -13.006 4.752 -2.108 242 HA ASP 32 HA ASP 32 -15.499 5.881 -1.438 243 1HB ASP 32 1HB ASP 32 -13.415 7.125 -1.925 244 2HB ASP 32 2HB ASP 32 -13.593 6.717 -3.631 245 H LYS 33 H LYS 33 -14.471 4.430 -4.566 246 HA LYS 33 HA LYS 33 -16.853 5.232 -5.942 247 1HB LYS 33 1HB LYS 33 -16.154 3.883 -7.722 248 2HB LYS 33 2HB LYS 33 -14.651 4.347 -6.940 249 1HG LYS 33 1HG LYS 33 -14.222 2.090 -7.070 250 2HG LYS 33 2HG LYS 33 -15.141 2.057 -5.581 251 1HD LYS 33 1HD LYS 33 -16.304 0.434 -6.751 252 2HD LYS 33 2HD LYS 33 -17.213 1.848 -7.277 253 1HE LYS 33 1HE LYS 33 -14.953 0.478 -8.759 254 2HE LYS 33 2HE LYS 33 -16.649 0.540 -9.234 255 1HZ LYS 33 1HZ LYS 33 -15.064 3.002 -8.857 256 2HZ LYS 33 2HZ LYS 33 -15.051 2.165 -10.331 257 3HZ LYS 33 3HZ LYS 33 -16.509 2.794 -9.725 258 H TYR 34 H TYR 34 -16.110 2.303 -4.058 259 HA TYR 34 HA TYR 34 -18.653 1.042 -4.646 260 1HB TYR 34 1HB TYR 34 -16.594 0.575 -2.477 261 2HB TYR 34 2HB TYR 34 -18.061 -0.394 -2.636 262 HD1 TYR 34 HD1 TYR 34 -18.502 -1.604 -4.825 263 HD2 TYR 34 HD2 TYR 34 -14.714 0.176 -3.879 264 HE1 TYR 34 HE1 TYR 34 -17.420 -2.970 -6.588 265 HE2 TYR 34 HE2 TYR 34 -13.630 -1.185 -5.643 266 HH TYR 34 HH TYR 34 -13.939 -2.642 -7.288 267 H GLY 35 H GLY 35 -17.444 3.126 -2.049 268 1HA GLY 35 1HA GLY 35 -20.241 3.765 -1.315 269 2HA GLY 35 2HA GLY 35 -18.801 4.623 -0.765 270 H VAL 36 H VAL 36 -17.459 2.035 -0.058 271 HA VAL 36 HA VAL 36 -19.075 0.700 1.925 272 HB VAL 36 HB VAL 36 -16.809 -0.158 2.713 273 1HG1 VAL 36 1HG1 VAL 36 -18.264 -1.308 1.030 274 2HG1 VAL 36 2HG1 VAL 36 -17.405 -0.443 -0.244 275 3HG1 VAL 36 3HG1 VAL 36 -16.544 -1.599 0.772 276 1HG2 VAL 36 1HG2 VAL 36 -15.631 1.929 1.804 277 2HG2 VAL 36 2HG2 VAL 36 -14.865 0.381 1.448 278 3HG2 VAL 36 3HG2 VAL 36 -15.810 1.202 0.207 279 H SER 37 H SER 37 -17.652 0.631 4.241 280 HA SER 37 HA SER 37 -18.358 3.138 5.483 281 1HB SER 37 1HB SER 37 -18.438 1.004 6.711 282 2HB SER 37 2HB SER 37 -16.693 0.836 6.546 283 HG SER 37 HG SER 37 -17.670 3.222 7.603 284 H ASP 38 H ASP 38 -16.951 4.712 6.401 285 HA ASP 38 HA ASP 38 -14.447 5.093 4.906 286 1HB ASP 38 1HB ASP 38 -14.373 7.269 6.020 287 2HB ASP 38 2HB ASP 38 -15.998 6.992 5.393 288 H TYR 39 H TYR 39 -15.178 3.233 7.477 289 HA TYR 39 HA TYR 39 -12.963 3.961 9.254 290 1HB TYR 39 1HB TYR 39 -14.910 2.980 10.278 291 2HB TYR 39 2HB TYR 39 -14.877 1.612 9.167 292 HD1 TYR 39 HD1 TYR 39 -13.306 3.146 12.131 293 HD2 TYR 39 HD2 TYR 39 -13.234 -0.162 9.394 294 HE1 TYR 39 HE1 TYR 39 -11.809 1.902 13.669 295 HE2 TYR 39 HE2 TYR 39 -11.743 -1.403 10.925 296 HH TYR 39 HH TYR 39 -10.061 -0.778 12.766 297 H TYR 40 H TYR 40 -13.652 1.404 6.887 298 HA TYR 40 HA TYR 40 -11.305 -0.150 7.258 299 1HB TYR 40 1HB TYR 40 -12.875 0.331 4.705 300 2HB TYR 40 2HB TYR 40 -11.744 -0.993 4.980 301 HD1 TYR 40 HD1 TYR 40 -15.146 -0.156 5.023 302 HD2 TYR 40 HD2 TYR 40 -12.203 -2.301 7.312 303 HE1 TYR 40 HE1 TYR 40 -16.942 -1.495 6.085 304 HE2 TYR 40 HE2 TYR 40 -14.004 -3.635 8.372 305 HH TYR 40 HH TYR 40 -17.433 -3.056 7.578 306 H LYS 41 H LYS 41 -11.778 2.865 5.483 307 HA LYS 41 HA LYS 41 -9.431 2.749 3.886 308 1HB LYS 41 1HB LYS 41 -9.694 5.112 3.578 309 2HB LYS 41 2HB LYS 41 -11.317 4.443 3.710 310 1HG LYS 41 1HG LYS 41 -11.645 6.089 5.271 311 2HG LYS 41 2HG LYS 41 -10.783 5.008 6.350 312 1HD LYS 41 1HD LYS 41 -9.571 6.981 6.629 313 2HD LYS 41 2HD LYS 41 -8.634 6.188 5.366 314 1HE LYS 41 1HE LYS 41 -8.978 8.461 4.656 315 2HE LYS 41 2HE LYS 41 -10.042 7.455 3.674 316 1HZ LYS 41 1HZ LYS 41 -10.895 8.819 6.166 317 2HZ LYS 41 2HZ LYS 41 -11.119 9.467 4.615 318 3HZ LYS 41 3HZ LYS 41 -11.886 8.013 5.046 319 H ASN 42 H ASN 42 -9.957 3.607 7.252 320 HA ASN 42 HA ASN 42 -7.313 4.643 7.698 321 1HB ASN 42 1HB ASN 42 -9.410 3.541 9.581 322 2HB ASN 42 2HB ASN 42 -7.878 4.215 10.136 323 2HD2 ASN 42 2HD2 ASN 42 -10.942 5.151 10.059 324 1HD2 ASN 42 1HD2 ASN 42 -10.792 6.782 9.612 325 H LEU 43 H LEU 43 -8.806 1.455 7.987 326 HA LEU 43 HA LEU 43 -6.644 0.125 9.255 327 1HB LEU 43 1HB LEU 43 -8.879 -0.881 8.987 328 2HB LEU 43 2HB LEU 43 -8.644 -0.956 7.243 329 HG LEU 43 HG LEU 43 -6.745 -2.482 7.549 330 1HD1 LEU 43 1HD1 LEU 43 -7.283 -1.912 10.458 331 2HD1 LEU 43 2HD1 LEU 43 -6.602 -3.471 9.994 332 3HD1 LEU 43 3HD1 LEU 43 -5.741 -1.984 9.604 333 1HD2 LEU 43 1HD2 LEU 43 -9.234 -3.325 9.065 334 2HD2 LEU 43 2HD2 LEU 43 -9.006 -3.424 7.319 335 3HD2 LEU 43 3HD2 LEU 43 -8.030 -4.425 8.393 336 H ILE 44 H ILE 44 -7.278 0.730 5.790 337 HA ILE 44 HA ILE 44 -5.057 -0.763 4.791 338 HB ILE 44 HB ILE 44 -6.463 1.693 3.708 339 1HG1 ILE 44 1HG1 ILE 44 -6.519 -1.200 2.817 340 2HG1 ILE 44 2HG1 ILE 44 -7.692 -0.508 3.938 341 1HG2 ILE 44 1HG2 ILE 44 -4.292 -0.035 2.501 342 2HG2 ILE 44 2HG2 ILE 44 -5.361 0.967 1.523 343 3HG2 ILE 44 3HG2 ILE 44 -4.283 1.716 2.701 344 1HD1 ILE 44 1HD1 ILE 44 -8.085 1.277 2.104 345 2HD1 ILE 44 2HD1 ILE 44 -7.251 0.153 1.031 346 3HD1 ILE 44 3HD1 ILE 44 -8.740 -0.338 1.835 347 H ASN 45 H ASN 45 -5.331 2.574 5.952 348 HA ASN 45 HA ASN 45 -2.696 3.418 5.285 349 1HB ASN 45 1HB ASN 45 -4.549 4.244 7.536 350 2HB ASN 45 2HB ASN 45 -3.014 5.048 7.201 351 2HD2 ASN 45 2HD2 ASN 45 -5.596 6.365 6.952 352 1HD2 ASN 45 1HD2 ASN 45 -5.810 6.760 5.315 353 H ASN 46 H ASN 46 -3.973 1.698 8.107 354 HA ASN 46 HA ASN 46 -1.499 1.720 9.587 355 1HB ASN 46 1HB ASN 46 -3.951 -0.054 9.714 356 2HB ASN 46 2HB ASN 46 -2.606 -0.182 10.849 357 2HD2 ASN 46 2HD2 ASN 46 -5.395 0.682 11.468 358 1HD2 ASN 46 1HD2 ASN 46 -5.268 2.255 12.093 359 H ALA 47 H ALA 47 -2.634 -0.175 6.902 360 HA ALA 47 HA ALA 47 -1.124 -2.562 7.317 361 1HB ALA 47 1HB ALA 47 -1.767 -1.208 4.677 362 2HB ALA 47 2HB ALA 47 -1.324 -2.901 4.898 363 3HB ALA 47 3HB ALA 47 -2.852 -2.298 5.540 364 H LYS 48 H LYS 48 1.032 -3.044 6.934 365 HA LYS 48 HA LYS 48 2.812 -0.738 6.232 366 1HB LYS 48 1HB LYS 48 4.578 -2.095 7.385 367 2HB LYS 48 2HB LYS 48 3.245 -1.620 8.439 368 1HG LYS 48 1HG LYS 48 2.196 -3.828 8.115 369 2HG LYS 48 2HG LYS 48 3.527 -4.306 7.065 370 1HD LYS 48 1HD LYS 48 5.113 -3.948 8.944 371 2HD LYS 48 2HD LYS 48 3.749 -3.553 9.991 372 1HE LYS 48 1HE LYS 48 4.398 -5.915 10.264 373 2HE LYS 48 2HE LYS 48 2.780 -5.786 9.571 374 1HZ LYS 48 1HZ LYS 48 5.181 -6.020 7.864 375 2HZ LYS 48 2HZ LYS 48 4.395 -7.394 8.479 376 3HZ LYS 48 3HZ LYS 48 3.560 -6.327 7.460 377 H THR 49 H THR 49 1.481 -3.378 4.732 378 HA THR 49 HA THR 49 3.792 -3.550 2.833 379 HB THR 49 HB THR 49 3.221 -6.013 2.558 380 HG1 THR 49 HG1 THR 49 2.138 -5.873 5.129 381 1HG2 THR 49 1HG2 THR 49 4.475 -4.836 5.024 382 2HG2 THR 49 2HG2 THR 49 4.312 -6.585 4.883 383 3HG2 THR 49 3HG2 THR 49 5.239 -5.687 3.682 384 H VAL 50 H VAL 50 3.181 -3.709 0.673 385 HA VAL 50 HA VAL 50 0.480 -2.891 0.016 386 HB VAL 50 HB VAL 50 2.358 -2.173 -1.353 387 1HG1 VAL 50 1HG1 VAL 50 3.726 -4.244 -1.026 388 2HG1 VAL 50 2HG1 VAL 50 2.642 -5.089 -2.133 389 3HG1 VAL 50 3HG1 VAL 50 3.627 -3.746 -2.715 390 1HG2 VAL 50 1HG2 VAL 50 0.076 -2.525 -2.378 391 2HG2 VAL 50 2HG2 VAL 50 1.406 -2.617 -3.531 392 3HG2 VAL 50 3HG2 VAL 50 0.642 -4.095 -2.949 393 H GLU 51 H GLU 51 2.159 -5.974 0.133 394 HA GLU 51 HA GLU 51 0.373 -7.477 -1.498 395 1HB GLU 51 1HB GLU 51 1.966 -8.274 0.959 396 2HB GLU 51 2HB GLU 51 1.082 -9.426 -0.042 397 1HG GLU 51 1HG GLU 51 2.396 -8.731 -2.011 398 2HG GLU 51 2HG GLU 51 3.285 -7.580 -1.011 399 H GLY 52 H GLY 52 0.259 -6.535 1.907 400 1HA GLY 52 1HA GLY 52 -1.491 -6.659 3.467 401 2HA GLY 52 2HA GLY 52 -2.181 -7.961 2.496 402 H VAL 53 H VAL 53 -1.428 -4.754 1.182 403 HA VAL 53 HA VAL 53 -3.984 -3.551 1.564 404 HB VAL 53 HB VAL 53 -1.941 -3.185 -0.643 405 1HG1 VAL 53 1HG1 VAL 53 -4.482 -1.682 0.000 406 2HG1 VAL 53 2HG1 VAL 53 -3.159 -0.948 -0.907 407 3HG1 VAL 53 3HG1 VAL 53 -3.986 -2.368 -1.547 408 1HG2 VAL 53 1HG2 VAL 53 -1.334 -2.655 1.771 409 2HG2 VAL 53 2HG2 VAL 53 -1.197 -1.304 0.646 410 3HG2 VAL 53 3HG2 VAL 53 -2.586 -1.417 1.725 411 H LYS 54 H LYS 54 -2.733 -5.411 -1.227 412 HA LYS 54 HA LYS 54 -5.205 -5.350 -2.690 413 1HB LYS 54 1HB LYS 54 -3.027 -5.884 -3.738 414 2HB LYS 54 2HB LYS 54 -2.959 -7.378 -2.803 415 1HG LYS 54 1HG LYS 54 -4.899 -8.262 -3.910 416 2HG LYS 54 2HG LYS 54 -5.238 -6.711 -4.677 417 1HD LYS 54 1HD LYS 54 -4.183 -8.204 -6.298 418 2HD LYS 54 2HD LYS 54 -3.083 -6.882 -5.913 419 1HE LYS 54 1HE LYS 54 -2.937 -9.470 -4.375 420 2HE LYS 54 2HE LYS 54 -2.147 -9.318 -5.943 421 1HZ LYS 54 1HZ LYS 54 -1.600 -7.047 -4.355 422 2HZ LYS 54 2HZ LYS 54 -1.196 -8.455 -3.496 423 3HZ LYS 54 3HZ LYS 54 -0.516 -8.166 -5.025 424 H ALA 55 H ALA 55 -3.828 -7.667 -0.379 425 HA ALA 55 HA ALA 55 -5.996 -9.571 -0.681 426 1HB ALA 55 1HB ALA 55 -5.013 -10.645 1.317 427 2HB ALA 55 2HB ALA 55 -3.962 -9.247 1.546 428 3HB ALA 55 3HB ALA 55 -3.775 -10.268 0.119 429 H LEU 56 H LEU 56 -5.804 -6.556 0.851 430 HA LEU 56 HA LEU 56 -7.663 -7.220 3.024 431 1HB LEU 56 1HB LEU 56 -5.890 -5.362 3.133 432 2HB LEU 56 2HB LEU 56 -6.946 -4.440 2.065 433 HG LEU 56 HG LEU 56 -8.806 -4.995 3.827 434 1HD1 LEU 56 1HD1 LEU 56 -6.268 -5.475 5.419 435 2HD1 LEU 56 2HD1 LEU 56 -7.828 -5.117 6.154 436 3HD1 LEU 56 3HD1 LEU 56 -7.618 -6.587 5.209 437 1HD2 LEU 56 1HD2 LEU 56 -6.544 -3.036 4.242 438 2HD2 LEU 56 2HD2 LEU 56 -8.121 -2.742 3.505 439 3HD2 LEU 56 3HD2 LEU 56 -7.998 -3.027 5.241 440 H ILE 57 H ILE 57 -7.756 -5.273 0.045 441 HA ILE 57 HA ILE 57 -10.518 -4.604 0.169 442 HB ILE 57 HB ILE 57 -8.924 -5.036 -2.362 443 1HG1 ILE 57 1HG1 ILE 57 -7.741 -3.574 -0.615 444 2HG1 ILE 57 2HG1 ILE 57 -8.033 -2.829 -2.179 445 1HG2 ILE 57 1HG2 ILE 57 -11.311 -3.332 -1.638 446 2HG2 ILE 57 2HG2 ILE 57 -10.406 -3.147 -3.140 447 3HG2 ILE 57 3HG2 ILE 57 -11.242 -4.659 -2.796 448 1HD1 ILE 57 1HD1 ILE 57 -9.809 -2.451 0.256 449 2HD1 ILE 57 2HD1 ILE 57 -8.575 -1.318 -0.274 450 3HD1 ILE 57 3HD1 ILE 57 -9.973 -1.630 -1.294 451 H ASP 58 H ASP 58 -8.892 -7.346 -1.466 452 HA ASP 58 HA ASP 58 -11.257 -8.360 -2.695 453 1HB ASP 58 1HB ASP 58 -10.066 -10.518 -2.832 454 2HB ASP 58 2HB ASP 58 -9.016 -9.179 -3.296 455 H GLU 59 H GLU 59 -9.922 -8.945 0.551 456 HA GLU 59 HA GLU 59 -11.935 -10.895 1.258 457 1HB GLU 59 1HB GLU 59 -9.957 -9.230 2.809 458 2HB GLU 59 2HB GLU 59 -11.183 -10.174 3.654 459 1HG GLU 59 1HG GLU 59 -8.946 -11.346 3.298 460 2HG GLU 59 2HG GLU 59 -10.364 -12.229 2.739 461 H ILE 60 H ILE 60 -11.601 -7.396 1.638 462 HA ILE 60 HA ILE 60 -13.982 -7.038 3.180 463 HB ILE 60 HB ILE 60 -12.440 -5.176 1.361 464 1HG1 ILE 60 1HG1 ILE 60 -12.706 -5.182 4.375 465 2HG1 ILE 60 2HG1 ILE 60 -11.442 -6.083 3.536 466 1HG2 ILE 60 1HG2 ILE 60 -14.851 -4.665 3.116 467 2HG2 ILE 60 2HG2 ILE 60 -13.749 -3.379 2.624 468 3HG2 ILE 60 3HG2 ILE 60 -14.656 -4.277 1.407 469 1HD1 ILE 60 1HD1 ILE 60 -11.920 -3.116 3.142 470 2HD1 ILE 60 2HD1 ILE 60 -10.750 -3.768 4.291 471 3HD1 ILE 60 3HD1 ILE 60 -10.549 -4.062 2.563 472 H LEU 61 H LEU 61 -13.369 -6.710 -0.327 473 HA LEU 61 HA LEU 61 -16.146 -6.228 -0.957 474 1HB LEU 61 1HB LEU 61 -13.804 -7.142 -2.654 475 2HB LEU 61 2HB LEU 61 -15.403 -6.808 -3.316 476 HG LEU 61 HG LEU 61 -13.702 -4.817 -1.780 477 1HD1 LEU 61 1HD1 LEU 61 -12.929 -5.555 -4.128 478 2HD1 LEU 61 2HD1 LEU 61 -14.381 -4.751 -4.723 479 3HD1 LEU 61 3HD1 LEU 61 -13.150 -3.824 -3.866 480 1HD2 LEU 61 1HD2 LEU 61 -16.477 -4.742 -2.940 481 2HD2 LEU 61 2HD2 LEU 61 -15.861 -4.000 -1.464 482 3HD2 LEU 61 3HD2 LEU 61 -15.502 -3.276 -3.028 483 H ALA 62 H ALA 62 -14.108 -9.133 -0.895 484 HA ALA 62 HA ALA 62 -16.047 -10.915 -2.008 485 1HB ALA 62 1HB ALA 62 -13.707 -11.579 -1.776 486 2HB ALA 62 2HB ALA 62 -13.820 -11.451 -0.020 487 3HB ALA 62 3HB ALA 62 -14.724 -12.701 -0.875 488 H ALA 63 H ALA 63 -15.738 -9.476 1.149 489 HA ALA 63 HA ALA 63 -17.236 -11.343 2.685 490 1HB ALA 63 1HB ALA 63 -17.699 -9.431 4.191 491 2HB ALA 63 2HB ALA 63 -16.003 -9.476 3.710 492 3HB ALA 63 3HB ALA 63 -17.104 -8.324 2.955 493 H LEU 64 H LEU 64 -18.251 -8.726 0.536 494 HA LEU 64 HA LEU 64 -21.082 -9.683 0.805 495 1HB LEU 64 1HB LEU 64 -21.844 -7.402 0.658 496 2HB LEU 64 2HB LEU 64 -20.566 -7.434 1.862 497 HG LEU 64 HG LEU 64 -18.977 -6.860 -0.135 498 1HD1 LEU 64 1HD1 LEU 64 -21.544 -6.787 -1.498 499 2HD1 LEU 64 2HD1 LEU 64 -20.824 -5.181 -1.520 500 3HD1 LEU 64 3HD1 LEU 64 -19.929 -6.556 -2.155 501 1HD2 LEU 64 1HD2 LEU 64 -20.935 -4.848 1.020 502 2HD2 LEU 64 2HD2 LEU 64 -19.408 -5.355 1.742 503 3HD2 LEU 64 3HD2 LEU 64 -19.410 -4.432 0.239 504 HA PRO 65 HA PRO 65 -20.777 -10.327 -3.598 505 1HB PRO 65 1HB PRO 65 -23.394 -9.489 -4.321 506 2HB PRO 65 2HB PRO 65 -22.897 -11.125 -3.877 507 1HG PRO 65 1HG PRO 65 -24.395 -9.136 -2.286 508 2HG PRO 65 2HG PRO 65 -24.322 -10.893 -2.100 509 1HD PRO 65 1HD PRO 65 -23.058 -9.042 -0.414 510 2HD PRO 65 2HD PRO 65 -22.624 -10.763 -0.545 No H/Q in entry = 510 Start of MODEL 22 1 H1 MET 1 H1 MET 1 41.503 -2.679 -16.651 2 H2 MET 1 H2 MET 1 41.100 -3.358 -18.155 3 H3 MET 1 H3 MET 1 39.915 -2.558 -17.243 4 HA MET 1 HA MET 1 39.471 -4.811 -16.903 5 1HB MET 1 1HB MET 1 41.334 -6.358 -16.188 6 2HB MET 1 2HB MET 1 41.491 -5.752 -17.838 7 1HG MET 1 1HG MET 1 43.049 -4.005 -17.051 8 2HG MET 1 2HG MET 1 42.894 -4.611 -15.401 9 1HE MET 1 1HE MET 1 45.391 -4.437 -15.570 10 2HE MET 1 2HE MET 1 46.462 -5.651 -16.264 11 3HE MET 1 3HE MET 1 45.759 -4.395 -17.292 12 H LYS 2 H LYS 2 40.579 -2.259 -15.220 13 HA LYS 2 HA LYS 2 40.955 -3.349 -12.576 14 1HB LYS 2 1HB LYS 2 41.723 -1.077 -13.208 15 2HB LYS 2 2HB LYS 2 40.041 -0.575 -13.395 16 1HG LYS 2 1HG LYS 2 39.586 -0.937 -11.062 17 2HG LYS 2 2HG LYS 2 41.145 -1.724 -10.822 18 1HD LYS 2 1HD LYS 2 41.235 0.576 -9.982 19 2HD LYS 2 2HD LYS 2 42.289 0.406 -11.383 20 1HE LYS 2 1HE LYS 2 39.441 1.326 -11.736 21 2HE LYS 2 2HE LYS 2 40.695 2.470 -11.259 22 1HZ LYS 2 1HZ LYS 2 41.592 0.830 -13.388 23 2HZ LYS 2 2HZ LYS 2 40.134 1.586 -13.809 24 3HZ LYS 2 3HZ LYS 2 41.464 2.522 -13.318 25 H ALA 3 H ALA 3 39.442 -3.554 -10.888 26 HA ALA 3 HA ALA 3 36.793 -4.314 -11.591 27 1HB ALA 3 1HB ALA 3 37.942 -3.474 -8.914 28 2HB ALA 3 2HB ALA 3 37.803 -5.118 -9.533 29 3HB ALA 3 3HB ALA 3 36.351 -4.205 -9.124 30 H ILE 4 H ILE 4 34.867 -3.206 -11.603 31 HA ILE 4 HA ILE 4 34.966 -0.243 -11.104 32 HB ILE 4 HB ILE 4 33.295 -1.807 -13.098 33 1HG1 ILE 4 1HG1 ILE 4 35.500 0.214 -13.595 34 2HG1 ILE 4 2HG1 ILE 4 35.762 -1.531 -13.609 35 1HG2 ILE 4 1HG2 ILE 4 33.429 1.123 -12.361 36 2HG2 ILE 4 2HG2 ILE 4 32.764 0.564 -13.895 37 3HG2 ILE 4 3HG2 ILE 4 32.013 0.071 -12.379 38 1HD1 ILE 4 1HD1 ILE 4 33.940 -1.702 -15.354 39 2HD1 ILE 4 2HD1 ILE 4 33.937 0.059 -15.433 40 3HD1 ILE 4 3HD1 ILE 4 35.383 -0.840 -15.892 41 H PHE 5 H PHE 5 33.618 0.417 -9.481 42 HA PHE 5 HA PHE 5 31.802 -1.519 -8.241 43 1HB PHE 5 1HB PHE 5 33.080 0.095 -6.864 44 2HB PHE 5 2HB PHE 5 32.234 1.428 -7.650 45 HD1 PHE 5 HD1 PHE 5 29.860 1.855 -7.213 46 HD2 PHE 5 HD2 PHE 5 31.936 -1.367 -5.274 47 HE1 PHE 5 HE1 PHE 5 27.998 1.632 -5.589 48 HE2 PHE 5 HE2 PHE 5 30.073 -1.592 -3.653 49 HZ PHE 5 HZ PHE 5 28.104 -0.093 -3.810 50 H VAL 6 H VAL 6 29.900 -1.899 -9.280 51 HA VAL 6 HA VAL 6 28.129 0.398 -9.849 52 HB VAL 6 HB VAL 6 29.393 -0.016 -11.970 53 1HG1 VAL 6 1HG1 VAL 6 29.577 -2.536 -11.446 54 2HG1 VAL 6 2HG1 VAL 6 27.945 -2.662 -12.106 55 3HG1 VAL 6 3HG1 VAL 6 29.266 -2.077 -13.119 56 1HG2 VAL 6 1HG2 VAL 6 26.913 0.717 -11.820 57 2HG2 VAL 6 2HG2 VAL 6 27.484 0.102 -13.369 58 3HG2 VAL 6 3HG2 VAL 6 26.533 -0.937 -12.307 59 H LEU 7 H LEU 7 25.994 -0.157 -9.485 60 HA LEU 7 HA LEU 7 25.119 -2.934 -9.565 61 1HB LEU 7 1HB LEU 7 24.634 -3.227 -7.224 62 2HB LEU 7 2HB LEU 7 26.323 -2.779 -7.371 63 HG LEU 7 HG LEU 7 25.471 -1.516 -5.547 64 1HD1 LEU 7 1HD1 LEU 7 26.854 -0.291 -7.299 65 2HD1 LEU 7 2HD1 LEU 7 25.343 0.451 -7.831 66 3HD1 LEU 7 3HD1 LEU 7 25.926 0.714 -6.191 67 1HD2 LEU 7 1HD2 LEU 7 22.973 -1.740 -6.671 68 2HD2 LEU 7 2HD2 LEU 7 23.372 -0.671 -5.331 69 3HD2 LEU 7 3HD2 LEU 7 23.325 -0.040 -6.972 70 H ASN 8 H ASN 8 22.770 -3.113 -9.110 71 HA ASN 8 HA ASN 8 21.269 -0.582 -8.925 72 1HB ASN 8 1HB ASN 8 21.215 -2.328 -11.405 73 2HB ASN 8 2HB ASN 8 20.042 -1.055 -11.063 74 2HD2 ASN 8 2HD2 ASN 8 21.492 1.065 -10.171 75 1HD2 ASN 8 1HD2 ASN 8 22.687 1.525 -11.287 76 H ALA 9 H ALA 9 21.631 -3.744 -8.137 77 HA ALA 9 HA ALA 9 18.757 -4.456 -8.115 78 1HB ALA 9 1HB ALA 9 20.487 -6.166 -8.654 79 2HB ALA 9 2HB ALA 9 19.518 -6.609 -7.248 80 3HB ALA 9 3HB ALA 9 21.149 -5.973 -7.032 81 H GLN 10 H GLN 10 21.123 -4.981 -5.511 82 HA GLN 10 HA GLN 10 19.103 -4.121 -3.543 83 1HB GLN 10 1HB GLN 10 21.912 -5.232 -3.265 84 2HB GLN 10 2HB GLN 10 20.909 -4.772 -1.889 85 1HG GLN 10 1HG GLN 10 20.051 -6.768 -4.003 86 2HG GLN 10 2HG GLN 10 20.789 -7.222 -2.467 87 2HE2 GLN 10 2HE2 GLN 10 19.558 -5.584 -0.619 88 1HE2 GLN 10 1HE2 GLN 10 17.877 -5.823 -0.630 89 H HIS 11 H HIS 11 19.389 -2.323 -2.133 90 HA HIS 11 HA HIS 11 21.748 -0.613 -2.409 91 1HB HIS 11 1HB HIS 11 20.056 -0.151 -4.380 92 2HB HIS 11 2HB HIS 11 19.126 0.693 -3.146 93 HD1 HIS 11 HD1 HIS 11 20.798 2.432 -1.654 94 HD2 HIS 11 HD2 HIS 11 21.878 1.524 -5.576 95 HE1 HIS 11 HE1 HIS 11 22.416 4.236 -2.387 96 H ASP 12 H ASP 12 21.409 1.422 -1.023 97 HA ASP 12 HA ASP 12 20.680 0.705 1.606 98 1HB ASP 12 1HB ASP 12 22.110 2.675 0.877 99 2HB ASP 12 2HB ASP 12 20.610 3.524 0.499 100 H GLU 13 H GLU 13 18.688 1.740 -1.044 101 HA GLU 13 HA GLU 13 16.501 2.920 0.248 102 1HB GLU 13 1HB GLU 13 15.160 2.244 -1.627 103 2HB GLU 13 2HB GLU 13 16.781 2.543 -2.247 104 1HG GLU 13 1HG GLU 13 17.219 0.050 -1.961 105 2HG GLU 13 2HG GLU 13 15.489 -0.132 -1.669 106 H ALA 14 H ALA 14 14.785 2.172 1.446 107 HA ALA 14 HA ALA 14 14.532 -0.753 1.939 108 1HB ALA 14 1HB ALA 14 15.009 1.398 3.997 109 2HB ALA 14 2HB ALA 14 14.223 -0.124 4.420 110 3HB ALA 14 3HB ALA 14 15.873 -0.123 3.792 111 H VAL 15 H VAL 15 13.184 2.356 2.997 112 HA VAL 15 HA VAL 15 10.427 1.258 2.519 113 HB VAL 15 HB VAL 15 11.325 3.466 4.398 114 1HG1 VAL 15 1HG1 VAL 15 8.632 2.136 3.969 115 2HG1 VAL 15 2HG1 VAL 15 8.998 3.287 5.254 116 3HG1 VAL 15 3HG1 VAL 15 9.040 3.805 3.569 117 1HG2 VAL 15 1HG2 VAL 15 10.428 0.615 4.924 118 2HG2 VAL 15 2HG2 VAL 15 12.061 1.243 5.146 119 3HG2 VAL 15 3HG2 VAL 15 10.746 1.823 6.169 120 H ASP 16 H ASP 16 9.424 2.153 0.797 121 HA ASP 16 HA ASP 16 10.331 4.842 -0.177 122 1HB ASP 16 1HB ASP 16 9.316 4.151 -2.339 123 2HB ASP 16 2HB ASP 16 10.591 3.047 -1.822 124 H ALA 17 H ALA 17 8.844 6.485 -0.362 125 HA ALA 17 HA ALA 17 6.152 5.995 0.816 126 1HB ALA 17 1HB ALA 17 7.710 7.866 1.623 127 2HB ALA 17 2HB ALA 17 7.368 8.668 0.090 128 3HB ALA 17 3HB ALA 17 6.058 8.339 1.227 129 H ASN 18 H ASN 18 7.482 5.923 -2.194 130 HA ASN 18 HA ASN 18 5.354 7.453 -3.568 131 1HB ASN 18 1HB ASN 18 7.664 7.490 -4.457 132 2HB ASN 18 2HB ASN 18 7.588 5.743 -4.700 133 2HD2 ASN 18 2HD2 ASN 18 6.528 4.974 -6.579 134 1HD2 ASN 18 1HD2 ASN 18 5.748 5.983 -7.700 135 H SER 19 H SER 19 6.585 4.246 -4.472 136 HA SER 19 HA SER 19 4.081 3.335 -5.449 137 1HB SER 19 1HB SER 19 6.493 1.790 -4.473 138 2HB SER 19 2HB SER 19 5.125 1.049 -5.298 139 HG SER 19 HG SER 19 6.897 1.665 -6.689 140 H LEU 20 H LEU 20 5.596 2.926 -2.259 141 HA LEU 20 HA LEU 20 3.685 1.117 -1.183 142 1HB LEU 20 1HB LEU 20 5.947 1.959 -0.208 143 2HB LEU 20 2HB LEU 20 5.011 3.305 0.428 144 HG LEU 20 HG LEU 20 5.234 1.563 2.124 145 1HD1 LEU 20 1HD1 LEU 20 3.034 2.885 1.748 146 2HD1 LEU 20 2HD1 LEU 20 2.390 1.349 1.167 147 3HD1 LEU 20 3HD1 LEU 20 2.998 1.483 2.814 148 1HD2 LEU 20 1HD2 LEU 20 5.288 -0.271 0.166 149 2HD2 LEU 20 2HD2 LEU 20 4.793 -0.680 1.805 150 3HD2 LEU 20 3HD2 LEU 20 3.574 -0.392 0.569 151 H ALA 21 H ALA 21 3.823 4.680 -0.950 152 HA ALA 21 HA ALA 21 1.283 4.962 0.317 153 1HB ALA 21 1HB ALA 21 2.579 7.008 -1.491 154 2HB ALA 21 2HB ALA 21 3.133 6.709 0.157 155 3HB ALA 21 3HB ALA 21 1.496 7.301 -0.129 156 H GLU 22 H GLU 22 2.270 4.932 -3.087 157 HA GLU 22 HA GLU 22 -0.207 5.748 -4.209 158 1HB GLU 22 1HB GLU 22 1.953 5.504 -5.468 159 2HB GLU 22 2HB GLU 22 1.733 3.755 -5.407 160 1HG GLU 22 1HG GLU 22 -0.417 3.976 -6.582 161 2HG GLU 22 2HG GLU 22 -0.214 5.724 -6.644 162 H ALA 23 H ALA 23 0.941 2.524 -3.239 163 HA ALA 23 HA ALA 23 -1.239 1.033 -4.292 164 1HB ALA 23 1HB ALA 23 0.382 0.526 -1.777 165 2HB ALA 23 2HB ALA 23 0.783 -0.045 -3.397 166 3HB ALA 23 3HB ALA 23 -0.652 -0.660 -2.576 167 H LYS 24 H LYS 24 -0.840 2.562 -1.073 168 HA LYS 24 HA LYS 24 -3.464 1.768 -0.158 169 1HB LYS 24 1HB LYS 24 -1.587 3.967 0.743 170 2HB LYS 24 2HB LYS 24 -3.110 3.599 1.552 171 1HG LYS 24 1HG LYS 24 -2.303 1.220 1.813 172 2HG LYS 24 2HG LYS 24 -0.736 1.743 1.203 173 1HD LYS 24 1HD LYS 24 -2.020 3.148 3.550 174 2HD LYS 24 2HD LYS 24 -1.090 1.671 3.783 175 1HE LYS 24 1HE LYS 24 0.853 2.722 2.676 176 2HE LYS 24 2HE LYS 24 -0.071 4.208 2.467 177 1HZ LYS 24 1HZ LYS 24 -0.393 3.752 5.077 178 2HZ LYS 24 2HZ LYS 24 1.164 3.119 4.846 179 3HZ LYS 24 3HZ LYS 24 0.834 4.733 4.431 180 H VAL 25 H VAL 25 -2.185 4.694 -1.745 181 HA VAL 25 HA VAL 25 -4.602 6.208 -1.564 182 HB VAL 25 HB VAL 25 -2.334 6.314 -3.560 183 1HG1 VAL 25 1HG1 VAL 25 -4.810 8.017 -3.286 184 2HG1 VAL 25 2HG1 VAL 25 -3.335 8.649 -4.015 185 3HG1 VAL 25 3HG1 VAL 25 -4.154 7.267 -4.742 186 1HG2 VAL 25 1HG2 VAL 25 -1.914 6.916 -1.137 187 2HG2 VAL 25 2HG2 VAL 25 -1.613 8.230 -2.275 188 3HG2 VAL 25 3HG2 VAL 25 -3.097 8.210 -1.323 189 H LEU 26 H LEU 26 -3.348 4.143 -4.220 190 HA LEU 26 HA LEU 26 -5.639 4.464 -5.891 191 1HB LEU 26 1HB LEU 26 -3.651 2.186 -5.665 192 2HB LEU 26 2HB LEU 26 -4.904 2.251 -6.902 193 HG LEU 26 HG LEU 26 -2.758 4.354 -6.476 194 1HD1 LEU 26 1HD1 LEU 26 -3.062 2.160 -8.553 195 2HD1 LEU 26 2HD1 LEU 26 -1.863 3.452 -8.633 196 3HD1 LEU 26 3HD1 LEU 26 -1.805 2.268 -7.325 197 1HD2 LEU 26 1HD2 LEU 26 -5.151 4.135 -8.283 198 2HD2 LEU 26 2HD2 LEU 26 -4.430 5.564 -7.541 199 3HD2 LEU 26 3HD2 LEU 26 -3.680 4.840 -8.958 200 H ALA 27 H ALA 27 -4.921 2.091 -3.338 201 HA ALA 27 HA ALA 27 -7.352 0.590 -3.755 202 1HB ALA 27 1HB ALA 27 -5.325 -0.268 -2.540 203 2HB ALA 27 2HB ALA 27 -5.726 0.818 -1.208 204 3HB ALA 27 3HB ALA 27 -6.831 -0.482 -1.651 205 H ASN 28 H ASN 28 -6.451 3.267 -1.601 206 HA ASN 28 HA ASN 28 -8.864 3.376 -0.084 207 1HB ASN 28 1HB ASN 28 -6.823 4.647 0.495 208 2HB ASN 28 2HB ASN 28 -7.039 5.646 -0.943 209 2HD2 ASN 28 2HD2 ASN 28 -7.408 5.933 2.254 210 1HD2 ASN 28 1HD2 ASN 28 -8.814 6.880 2.338 211 H ARG 29 H ARG 29 -7.976 4.812 -3.202 212 HA ARG 29 HA ARG 29 -10.312 6.390 -3.584 213 1HB ARG 29 1HB ARG 29 -8.476 5.012 -5.564 214 2HB ARG 29 2HB ARG 29 -9.752 6.125 -6.047 215 1HG ARG 29 1HG ARG 29 -7.710 6.962 -3.990 216 2HG ARG 29 2HG ARG 29 -7.318 7.046 -5.699 217 1HD ARG 29 1HD ARG 29 -9.636 8.435 -4.326 218 2HD ARG 29 2HD ARG 29 -8.184 9.209 -4.936 219 HE ARG 29 HE ARG 29 -10.557 8.533 -6.436 220 1HH1 ARG 29 1HH1 ARG 29 -10.567 8.357 -8.673 221 2HH1 ARG 29 2HH1 ARG 29 -9.064 8.300 -9.532 222 1HH2 ARG 29 1HH2 ARG 29 -7.113 8.542 -6.681 223 2HH2 ARG 29 2HH2 ARG 29 -7.114 8.405 -8.407 224 H GLU 30 H GLU 30 -9.653 2.977 -4.329 225 HA GLU 30 HA GLU 30 -12.054 2.451 -5.755 226 1HB GLU 30 1HB GLU 30 -10.109 0.884 -5.586 227 2HB GLU 30 2HB GLU 30 -10.561 0.557 -3.915 228 1HG GLU 30 1HG GLU 30 -11.473 -1.196 -5.335 229 2HG GLU 30 2HG GLU 30 -12.802 -0.216 -4.719 230 H LEU 31 H LEU 31 -11.359 2.095 -2.271 231 HA LEU 31 HA LEU 31 -13.992 1.260 -1.506 232 1HB LEU 31 1HB LEU 31 -12.043 2.901 0.141 233 2HB LEU 31 2HB LEU 31 -13.319 1.846 0.750 234 HG LEU 31 HG LEU 31 -10.927 0.983 -0.874 235 1HD1 LEU 31 1HD1 LEU 31 -11.584 0.905 2.070 236 2HD1 LEU 31 2HD1 LEU 31 -10.528 -0.323 1.371 237 3HD1 LEU 31 3HD1 LEU 31 -10.081 1.376 1.276 238 1HD2 LEU 31 1HD2 LEU 31 -13.393 -0.448 0.117 239 2HD2 LEU 31 2HD2 LEU 31 -12.575 -0.585 -1.440 240 3HD2 LEU 31 3HD2 LEU 31 -11.875 -1.338 -0.009 241 H ASP 32 H ASP 32 -12.476 4.391 -1.867 242 HA ASP 32 HA ASP 32 -14.517 6.014 -0.763 243 1HB ASP 32 1HB ASP 32 -12.249 6.794 -1.337 244 2HB ASP 32 2HB ASP 32 -12.609 6.574 -3.046 245 H LYS 33 H LYS 33 -14.073 4.683 -4.028 246 HA LYS 33 HA LYS 33 -16.232 6.038 -5.299 247 1HB LYS 33 1HB LYS 33 -14.538 4.709 -6.525 248 2HB LYS 33 2HB LYS 33 -15.181 3.236 -5.801 249 1HG LYS 33 1HG LYS 33 -17.310 3.542 -6.904 250 2HG LYS 33 2HG LYS 33 -16.832 5.136 -7.486 251 1HD LYS 33 1HD LYS 33 -16.608 3.478 -9.283 252 2HD LYS 33 2HD LYS 33 -15.023 4.096 -8.824 253 1HE LYS 33 1HE LYS 33 -16.084 1.606 -7.501 254 2HE LYS 33 2HE LYS 33 -15.363 1.505 -9.108 255 1HZ LYS 33 1HZ LYS 33 -13.735 3.108 -7.476 256 2HZ LYS 33 2HZ LYS 33 -14.057 1.657 -6.653 257 3HZ LYS 33 3HZ LYS 33 -13.365 1.623 -8.205 258 H TYR 34 H TYR 34 -16.155 2.845 -3.668 259 HA TYR 34 HA TYR 34 -18.960 2.332 -3.988 260 1HB TYR 34 1HB TYR 34 -16.844 1.268 -2.110 261 2HB TYR 34 2HB TYR 34 -18.531 0.781 -1.936 262 HD1 TYR 34 HD1 TYR 34 -19.666 -0.508 -3.692 263 HD2 TYR 34 HD2 TYR 34 -15.532 0.588 -4.047 264 HE1 TYR 34 HE1 TYR 34 -19.393 -2.135 -5.545 265 HE2 TYR 34 HE2 TYR 34 -15.258 -1.032 -5.899 266 HH TYR 34 HH TYR 34 -17.333 -3.471 -6.528 267 H GLY 35 H GLY 35 -17.099 3.921 -1.409 268 1HA GLY 35 1HA GLY 35 -19.633 5.157 -0.450 269 2HA GLY 35 2HA GLY 35 -18.005 5.719 -0.073 270 H VAL 36 H VAL 36 -17.381 2.695 0.419 271 HA VAL 36 HA VAL 36 -18.916 1.803 2.631 272 HB VAL 36 HB VAL 36 -17.118 0.521 1.315 273 1HG1 VAL 36 1HG1 VAL 36 -15.366 2.319 1.784 274 2HG1 VAL 36 2HG1 VAL 36 -15.277 1.663 3.417 275 3HG1 VAL 36 3HG1 VAL 36 -14.855 0.650 2.037 276 1HG2 VAL 36 1HG2 VAL 36 -17.113 0.381 4.340 277 2HG2 VAL 36 2HG2 VAL 36 -18.271 -0.412 3.276 278 3HG2 VAL 36 3HG2 VAL 36 -16.577 -0.901 3.259 279 H SER 37 H SER 37 -18.120 1.767 4.961 280 HA SER 37 HA SER 37 -17.852 4.385 5.986 281 1HB SER 37 1HB SER 37 -16.978 1.782 7.274 282 2HB SER 37 2HB SER 37 -17.237 3.305 8.121 283 HG SER 37 HG SER 37 -19.329 3.029 7.971 284 H ASP 38 H ASP 38 -16.038 5.517 6.836 285 HA ASP 38 HA ASP 38 -13.614 5.224 5.307 286 1HB ASP 38 1HB ASP 38 -12.784 7.094 6.628 287 2HB ASP 38 2HB ASP 38 -14.467 7.402 6.198 288 H TYR 39 H TYR 39 -14.729 3.523 7.957 289 HA TYR 39 HA TYR 39 -12.416 3.252 9.584 290 1HB TYR 39 1HB TYR 39 -14.568 2.386 10.312 291 2HB TYR 39 2HB TYR 39 -14.615 1.261 8.956 292 HD1 TYR 39 HD1 TYR 39 -13.189 -0.707 8.892 293 HD2 TYR 39 HD2 TYR 39 -13.055 2.017 12.209 294 HE1 TYR 39 HE1 TYR 39 -11.922 -2.376 10.208 295 HE2 TYR 39 HE2 TYR 39 -11.787 0.345 13.531 296 HH TYR 39 HH TYR 39 -11.493 -2.908 12.578 297 H TYR 40 H TYR 40 -13.476 1.271 6.794 298 HA TYR 40 HA TYR 40 -11.267 -0.512 6.812 299 1HB TYR 40 1HB TYR 40 -12.868 0.479 4.435 300 2HB TYR 40 2HB TYR 40 -11.841 -0.955 4.453 301 HD1 TYR 40 HD1 TYR 40 -15.048 0.460 5.407 302 HD2 TYR 40 HD2 TYR 40 -12.422 -2.890 5.948 303 HE1 TYR 40 HE1 TYR 40 -16.935 -0.867 6.310 304 HE2 TYR 40 HE2 TYR 40 -14.306 -4.220 6.860 305 HH TYR 40 HH TYR 40 -16.426 -4.049 7.727 306 H LYS 41 H LYS 41 -11.608 2.686 5.221 307 HA LYS 41 HA LYS 41 -9.067 2.510 3.864 308 1HB LYS 41 1HB LYS 41 -10.751 4.891 4.681 309 2HB LYS 41 2HB LYS 41 -9.265 5.031 3.741 310 1HG LYS 41 1HG LYS 41 -10.220 3.558 2.013 311 2HG LYS 41 2HG LYS 41 -11.712 3.430 2.938 312 1HD LYS 41 1HD LYS 41 -10.599 6.114 2.117 313 2HD LYS 41 2HD LYS 41 -11.610 5.180 1.019 314 1HE LYS 41 1HE LYS 41 -13.311 5.067 2.937 315 2HE LYS 41 2HE LYS 41 -12.335 6.312 3.719 316 1HZ LYS 41 1HZ LYS 41 -13.290 6.613 0.942 317 2HZ LYS 41 2HZ LYS 41 -14.253 7.070 2.265 318 3HZ LYS 41 3HZ LYS 41 -12.747 7.813 2.010 319 H ASN 42 H ASN 42 -10.124 3.782 6.980 320 HA ASN 42 HA ASN 42 -7.620 4.900 7.746 321 1HB ASN 42 1HB ASN 42 -9.879 3.733 9.396 322 2HB ASN 42 2HB ASN 42 -8.483 4.546 10.107 323 2HD2 ASN 42 2HD2 ASN 42 -11.175 5.579 10.355 324 1HD2 ASN 42 1HD2 ASN 42 -11.243 7.054 9.518 325 H LEU 43 H LEU 43 -8.974 1.643 8.037 326 HA LEU 43 HA LEU 43 -6.864 0.519 9.574 327 1HB LEU 43 1HB LEU 43 -9.007 -0.645 9.179 328 2HB LEU 43 2HB LEU 43 -8.610 -0.802 7.470 329 HG LEU 43 HG LEU 43 -6.667 -2.193 8.023 330 1HD1 LEU 43 1HD1 LEU 43 -7.450 -1.463 10.841 331 2HD1 LEU 43 2HD1 LEU 43 -6.643 -3.001 10.536 332 3HD1 LEU 43 3HD1 LEU 43 -5.848 -1.489 10.104 333 1HD2 LEU 43 1HD2 LEU 43 -9.279 -3.014 9.322 334 2HD2 LEU 43 2HD2 LEU 43 -8.741 -3.382 7.687 335 3HD2 LEU 43 3HD2 LEU 43 -7.934 -4.125 9.065 336 H ILE 44 H ILE 44 -7.246 0.946 6.058 337 HA ILE 44 HA ILE 44 -4.868 -0.458 5.302 338 HB ILE 44 HB ILE 44 -6.356 1.823 3.965 339 1HG1 ILE 44 1HG1 ILE 44 -6.161 -1.117 3.268 340 2HG1 ILE 44 2HG1 ILE 44 -7.458 -0.435 4.252 341 1HG2 ILE 44 1HG2 ILE 44 -3.982 0.183 3.052 342 2HG2 ILE 44 2HG2 ILE 44 -5.044 1.016 1.916 343 3HG2 ILE 44 3HG2 ILE 44 -4.125 1.941 3.103 344 1HD1 ILE 44 1HD1 ILE 44 -7.908 1.172 2.332 345 2HD1 ILE 44 2HD1 ILE 44 -6.805 0.192 1.366 346 3HD1 ILE 44 3HD1 ILE 44 -8.285 -0.520 2.005 347 H ASN 45 H ASN 45 -5.455 2.950 6.127 348 HA ASN 45 HA ASN 45 -2.922 4.014 5.578 349 1HB ASN 45 1HB ASN 45 -4.829 4.617 7.856 350 2HB ASN 45 2HB ASN 45 -3.390 5.579 7.519 351 2HD2 ASN 45 2HD2 ASN 45 -3.461 5.530 4.661 352 1HD2 ASN 45 1HD2 ASN 45 -4.837 6.376 4.142 353 H ASN 46 H ASN 46 -3.915 1.840 8.128 354 HA ASN 46 HA ASN 46 -1.275 2.098 9.487 355 1HB ASN 46 1HB ASN 46 -3.737 0.485 10.219 356 2HB ASN 46 2HB ASN 46 -2.283 0.639 11.204 357 2HD2 ASN 46 2HD2 ASN 46 -1.665 3.281 11.217 358 1HD2 ASN 46 1HD2 ASN 46 -2.963 4.230 11.764 359 H ALA 47 H ALA 47 -2.101 0.636 6.791 360 HA ALA 47 HA ALA 47 -1.665 -2.150 7.179 361 1HB ALA 47 1HB ALA 47 -2.478 -1.147 5.054 362 2HB ALA 47 2HB ALA 47 -1.104 -2.221 4.803 363 3HB ALA 47 3HB ALA 47 -0.872 -0.473 4.779 364 H LYS 48 H LYS 48 0.199 -3.375 7.335 365 HA LYS 48 HA LYS 48 2.802 -1.885 7.525 366 1HB LYS 48 1HB LYS 48 3.489 -3.569 9.161 367 2HB LYS 48 2HB LYS 48 1.989 -2.803 9.685 368 1HG LYS 48 1HG LYS 48 0.744 -4.718 8.587 369 2HG LYS 48 2HG LYS 48 2.302 -5.511 8.366 370 1HD LYS 48 1HD LYS 48 1.187 -4.606 11.037 371 2HD LYS 48 2HD LYS 48 1.141 -6.263 10.439 372 1HE LYS 48 1HE LYS 48 3.072 -6.279 11.763 373 2HE LYS 48 2HE LYS 48 3.738 -5.954 10.163 374 1HZ LYS 48 1HZ LYS 48 2.965 -3.523 11.325 375 2HZ LYS 48 2HZ LYS 48 3.905 -4.371 12.458 376 3HZ LYS 48 3HZ LYS 48 4.528 -4.044 10.915 377 H THR 49 H THR 49 1.357 -3.478 5.253 378 HA THR 49 HA THR 49 3.832 -4.834 4.374 379 HB THR 49 HB THR 49 1.278 -6.430 4.192 380 HG1 THR 49 HG1 THR 49 1.381 -6.986 6.218 381 1HG2 THR 49 1HG2 THR 49 3.566 -6.962 3.064 382 2HG2 THR 49 2HG2 THR 49 4.082 -7.413 4.689 383 3HG2 THR 49 3HG2 THR 49 2.735 -8.258 3.925 384 H VAL 50 H VAL 50 3.728 -5.363 2.033 385 HA VAL 50 HA VAL 50 2.216 -3.318 0.585 386 HB VAL 50 HB VAL 50 3.860 -5.561 -0.585 387 1HG1 VAL 50 1HG1 VAL 50 3.045 -2.805 -1.547 388 2HG1 VAL 50 2HG1 VAL 50 4.221 -3.825 -2.376 389 3HG1 VAL 50 3HG1 VAL 50 2.547 -4.357 -2.222 390 1HG2 VAL 50 1HG2 VAL 50 4.712 -2.887 0.555 391 2HG2 VAL 50 2HG2 VAL 50 5.302 -4.487 1.006 392 3HG2 VAL 50 3HG2 VAL 50 5.713 -3.807 -0.568 393 H GLU 51 H GLU 51 2.534 -6.816 -0.098 394 HA GLU 51 HA GLU 51 0.163 -6.967 -1.643 395 1HB GLU 51 1HB GLU 51 0.312 -9.417 -1.308 396 2HB GLU 51 2HB GLU 51 1.874 -8.720 -1.724 397 1HG GLU 51 1HG GLU 51 1.051 -9.172 1.157 398 2HG GLU 51 2HG GLU 51 1.836 -10.425 0.202 399 H GLY 52 H GLY 52 0.652 -6.990 1.798 400 1HA GLY 52 1HA GLY 52 -0.896 -7.042 3.559 401 2HA GLY 52 2HA GLY 52 -1.839 -8.163 2.573 402 H VAL 53 H VAL 53 -0.951 -4.973 1.392 403 HA VAL 53 HA VAL 53 -3.351 -3.626 2.268 404 HB VAL 53 HB VAL 53 -1.360 -3.028 0.067 405 1HG1 VAL 53 1HG1 VAL 53 -3.846 -1.531 0.919 406 2HG1 VAL 53 2HG1 VAL 53 -2.480 -0.701 0.174 407 3HG1 VAL 53 3HG1 VAL 53 -3.336 -1.963 -0.713 408 1HG2 VAL 53 1HG2 VAL 53 -0.823 -2.871 2.595 409 2HG2 VAL 53 2HG2 VAL 53 -0.461 -1.462 1.601 410 3HG2 VAL 53 3HG2 VAL 53 -1.909 -1.487 2.609 411 H LYS 54 H LYS 54 -2.496 -5.007 -0.945 412 HA LYS 54 HA LYS 54 -5.115 -4.462 -2.024 413 1HB LYS 54 1HB LYS 54 -4.421 -5.942 -3.881 414 2HB LYS 54 2HB LYS 54 -3.181 -4.750 -3.490 415 1HG LYS 54 1HG LYS 54 -2.107 -6.507 -2.019 416 2HG LYS 54 2HG LYS 54 -3.228 -7.676 -2.714 417 1HD LYS 54 1HD LYS 54 -1.245 -5.979 -4.263 418 2HD LYS 54 2HD LYS 54 -1.076 -7.699 -3.921 419 1HE LYS 54 1HE LYS 54 -3.057 -6.329 -5.734 420 2HE LYS 54 2HE LYS 54 -1.962 -7.659 -6.104 421 1HZ LYS 54 1HZ LYS 54 -3.283 -8.946 -4.380 422 2HZ LYS 54 2HZ LYS 54 -4.451 -7.720 -4.514 423 3HZ LYS 54 3HZ LYS 54 -4.041 -8.650 -5.871 424 H ALA 55 H ALA 55 -3.777 -7.194 -0.262 425 HA ALA 55 HA ALA 55 -5.869 -9.061 -0.936 426 1HB ALA 55 1HB ALA 55 -5.049 -10.081 1.374 427 2HB ALA 55 2HB ALA 55 -3.760 -8.890 1.196 428 3HB ALA 55 3HB ALA 55 -3.996 -10.125 -0.041 429 H LEU 56 H LEU 56 -5.583 -6.532 1.479 430 HA LEU 56 HA LEU 56 -7.694 -7.326 3.209 431 1HB LEU 56 1HB LEU 56 -6.106 -5.500 3.744 432 2HB LEU 56 2HB LEU 56 -6.798 -4.524 2.456 433 HG LEU 56 HG LEU 56 -9.036 -4.700 3.643 434 1HD1 LEU 56 1HD1 LEU 56 -7.260 -6.061 5.668 435 2HD1 LEU 56 2HD1 LEU 56 -8.700 -5.183 6.179 436 3HD1 LEU 56 3HD1 LEU 56 -8.848 -6.552 5.082 437 1HD2 LEU 56 1HD2 LEU 56 -6.670 -3.388 5.001 438 2HD2 LEU 56 2HD2 LEU 56 -7.765 -2.680 3.816 439 3HD2 LEU 56 3HD2 LEU 56 -8.348 -3.058 5.430 440 H ILE 57 H ILE 57 -7.728 -5.174 0.363 441 HA ILE 57 HA ILE 57 -10.530 -4.684 0.362 442 HB ILE 57 HB ILE 57 -8.530 -4.735 -1.904 443 1HG1 ILE 57 1HG1 ILE 57 -8.827 -2.245 -1.736 444 2HG1 ILE 57 2HG1 ILE 57 -9.856 -2.500 -0.330 445 1HG2 ILE 57 1HG2 ILE 57 -11.444 -3.957 -1.878 446 2HG2 ILE 57 2HG2 ILE 57 -10.320 -3.376 -3.106 447 3HG2 ILE 57 3HG2 ILE 57 -10.635 -5.101 -2.947 448 1HD1 ILE 57 1HD1 ILE 57 -7.087 -3.659 -0.402 449 2HD1 ILE 57 2HD1 ILE 57 -7.328 -1.975 0.039 450 3HD1 ILE 57 3HD1 ILE 57 -8.079 -3.244 0.997 451 H ASP 58 H ASP 58 -8.595 -7.326 -0.994 452 HA ASP 58 HA ASP 58 -10.690 -8.537 -2.516 453 1HB ASP 58 1HB ASP 58 -8.314 -9.760 -1.083 454 2HB ASP 58 2HB ASP 58 -9.383 -10.675 -2.146 455 H GLU 59 H GLU 59 -9.801 -8.819 0.908 456 HA GLU 59 HA GLU 59 -11.793 -10.830 1.511 457 1HB GLU 59 1HB GLU 59 -10.277 -8.866 3.254 458 2HB GLU 59 2HB GLU 59 -11.387 -10.077 3.896 459 1HG GLU 59 1HG GLU 59 -10.051 -11.865 2.844 460 2HG GLU 59 2HG GLU 59 -8.938 -10.656 2.202 461 H ILE 60 H ILE 60 -11.674 -7.292 1.669 462 HA ILE 60 HA ILE 60 -14.256 -7.000 2.893 463 HB ILE 60 HB ILE 60 -12.666 -5.048 1.212 464 1HG1 ILE 60 1HG1 ILE 60 -12.916 -5.248 4.225 465 2HG1 ILE 60 2HG1 ILE 60 -11.581 -5.956 3.321 466 1HG2 ILE 60 1HG2 ILE 60 -15.054 -4.693 3.041 467 2HG2 ILE 60 2HG2 ILE 60 -14.052 -3.356 2.474 468 3HG2 ILE 60 3HG2 ILE 60 -14.967 -4.324 1.319 469 1HD1 ILE 60 1HD1 ILE 60 -12.344 -3.027 3.206 470 2HD1 ILE 60 2HD1 ILE 60 -11.062 -3.678 4.226 471 3HD1 ILE 60 3HD1 ILE 60 -10.927 -3.776 2.472 472 H LEU 61 H LEU 61 -13.163 -6.985 -0.496 473 HA LEU 61 HA LEU 61 -15.871 -6.458 -1.474 474 1HB LEU 61 1HB LEU 61 -13.270 -7.186 -2.837 475 2HB LEU 61 2HB LEU 61 -14.786 -7.042 -3.730 476 HG LEU 61 HG LEU 61 -13.569 -4.854 -2.016 477 1HD1 LEU 61 1HD1 LEU 61 -12.433 -5.602 -4.301 478 2HD1 LEU 61 2HD1 LEU 61 -13.773 -4.712 -5.016 479 3HD1 LEU 61 3HD1 LEU 61 -12.649 -3.893 -3.933 480 1HD2 LEU 61 1HD2 LEU 61 -16.123 -5.116 -3.569 481 2HD2 LEU 61 2HD2 LEU 61 -15.802 -4.238 -2.073 482 3HD2 LEU 61 3HD2 LEU 61 -15.306 -3.554 -3.616 483 H ALA 62 H ALA 62 -14.255 -9.189 -0.318 484 HA ALA 62 HA ALA 62 -15.259 -11.233 -2.030 485 1HB ALA 62 1HB ALA 62 -14.818 -11.361 0.970 486 2HB ALA 62 2HB ALA 62 -14.926 -12.742 -0.121 487 3HB ALA 62 3HB ALA 62 -13.569 -11.623 -0.247 488 H ALA 63 H ALA 63 -16.644 -9.856 0.969 489 HA ALA 63 HA ALA 63 -19.064 -11.359 0.919 490 1HB ALA 63 1HB ALA 63 -18.268 -10.000 2.862 491 2HB ALA 63 2HB ALA 63 -19.944 -9.659 2.433 492 3HB ALA 63 3HB ALA 63 -18.667 -8.538 1.962 493 H LEU 64 H LEU 64 -18.367 -8.083 -0.338 494 HA LEU 64 HA LEU 64 -20.980 -7.785 -1.527 495 1HB LEU 64 1HB LEU 64 -18.431 -6.337 -2.301 496 2HB LEU 64 2HB LEU 64 -20.083 -5.762 -2.508 497 HG LEU 64 HG LEU 64 -18.650 -6.225 0.122 498 1HD1 LEU 64 1HD1 LEU 64 -18.067 -4.152 -1.154 499 2HD1 LEU 64 2HD1 LEU 64 -19.770 -3.696 -1.121 500 3HD1 LEU 64 3HD1 LEU 64 -18.860 -3.815 0.385 501 1HD2 LEU 64 1HD2 LEU 64 -21.536 -5.626 -0.546 502 2HD2 LEU 64 2HD2 LEU 64 -20.891 -6.816 0.584 503 3HD2 LEU 64 3HD2 LEU 64 -20.840 -5.101 0.986 504 HA PRO 65 HA PRO 65 -20.311 -10.231 -5.206 505 1HB PRO 65 1HB PRO 65 -21.665 -8.546 -7.053 506 2HB PRO 65 2HB PRO 65 -22.370 -9.871 -6.121 507 1HG PRO 65 1HG PRO 65 -22.615 -6.958 -5.695 508 2HG PRO 65 2HG PRO 65 -23.661 -8.265 -5.124 509 1HD PRO 65 1HD PRO 65 -21.876 -6.811 -3.519 510 2HD PRO 65 2HD PRO 65 -22.569 -8.395 -3.098 No H/Q in entry = 510 Start of MODEL 23 1 H1 MET 1 H1 MET 1 26.945 -5.223 2.089 2 H2 MET 1 H2 MET 1 27.652 -6.004 3.422 3 H3 MET 1 H3 MET 1 26.509 -6.820 2.471 4 HA MET 1 HA MET 1 24.798 -5.979 3.584 5 1HB MET 1 1HB MET 1 27.095 -5.055 5.329 6 2HB MET 1 2HB MET 1 25.405 -4.973 5.829 7 1HG MET 1 1HG MET 1 25.186 -7.409 5.494 8 2HG MET 1 2HG MET 1 26.875 -7.492 4.997 9 1HE MET 1 1HE MET 1 24.352 -6.486 7.468 10 2HE MET 1 2HE MET 1 25.039 -6.731 9.070 11 3HE MET 1 3HE MET 1 25.386 -5.247 8.173 12 H LYS 2 H LYS 2 26.114 -4.130 1.564 13 HA LYS 2 HA LYS 2 25.863 -1.432 2.555 14 1HB LYS 2 1HB LYS 2 25.783 -2.590 -0.245 15 2HB LYS 2 2HB LYS 2 25.743 -0.860 0.096 16 1HG LYS 2 1HG LYS 2 27.901 -0.948 1.174 17 2HG LYS 2 2HG LYS 2 27.917 -2.709 1.102 18 1HD LYS 2 1HD LYS 2 29.309 -1.897 -0.697 19 2HD LYS 2 2HD LYS 2 27.829 -2.537 -1.409 20 1HE LYS 2 1HE LYS 2 26.954 -0.375 -1.820 21 2HE LYS 2 2HE LYS 2 28.099 0.391 -0.717 22 1HZ LYS 2 1HZ LYS 2 29.335 -1.103 -2.843 23 2HZ LYS 2 2HZ LYS 2 28.404 0.205 -3.388 24 3HZ LYS 2 3HZ LYS 2 29.666 0.466 -2.280 25 H ALA 3 H ALA 3 24.059 -0.078 2.555 26 HA ALA 3 HA ALA 3 21.592 -0.908 1.189 27 1HB ALA 3 1HB ALA 3 20.307 -0.735 3.407 28 2HB ALA 3 2HB ALA 3 21.872 -0.925 4.198 29 3HB ALA 3 3HB ALA 3 21.250 -2.203 3.155 30 H ILE 4 H ILE 4 22.824 1.263 3.762 31 HA ILE 4 HA ILE 4 21.677 3.570 2.235 32 HB ILE 4 HB ILE 4 20.118 2.935 4.052 33 1HG1 ILE 4 1HG1 ILE 4 21.587 5.469 4.815 34 2HG1 ILE 4 2HG1 ILE 4 20.582 5.358 3.368 35 1HG2 ILE 4 1HG2 ILE 4 22.006 1.994 5.500 36 2HG2 ILE 4 2HG2 ILE 4 22.337 3.660 5.972 37 3HG2 ILE 4 3HG2 ILE 4 20.773 2.934 6.341 38 1HD1 ILE 4 1HD1 ILE 4 18.675 4.613 4.808 39 2HD1 ILE 4 2HD1 ILE 4 19.686 4.890 6.226 40 3HD1 ILE 4 3HD1 ILE 4 19.231 6.242 5.189 41 H PHE 5 H PHE 5 23.102 5.226 2.044 42 HA PHE 5 HA PHE 5 25.687 5.032 3.483 43 1HB PHE 5 1HB PHE 5 24.695 6.471 1.045 44 2HB PHE 5 2HB PHE 5 26.016 7.226 1.929 45 HD1 PHE 5 HD1 PHE 5 28.172 6.074 2.216 46 HD2 PHE 5 HD2 PHE 5 25.020 4.385 -0.165 47 HE1 PHE 5 HE1 PHE 5 29.796 4.517 1.175 48 HE2 PHE 5 HE2 PHE 5 26.646 2.826 -1.205 49 HZ PHE 5 HZ PHE 5 29.032 2.893 -0.534 50 H VAL 6 H VAL 6 26.422 7.649 3.726 51 HA VAL 6 HA VAL 6 25.212 8.447 6.166 52 HB VAL 6 HB VAL 6 26.872 9.979 4.149 53 1HG1 VAL 6 1HG1 VAL 6 25.878 10.758 6.894 54 2HG1 VAL 6 2HG1 VAL 6 27.307 11.493 6.167 55 3HG1 VAL 6 3HG1 VAL 6 25.734 11.663 5.386 56 1HG2 VAL 6 1HG2 VAL 6 27.525 8.657 6.801 57 2HG2 VAL 6 2HG2 VAL 6 28.001 8.074 5.206 58 3HG2 VAL 6 3HG2 VAL 6 28.663 9.586 5.826 59 H LEU 7 H LEU 7 24.631 9.540 2.820 60 HA LEU 7 HA LEU 7 22.079 10.789 3.766 61 1HB LEU 7 1HB LEU 7 23.754 12.580 3.474 62 2HB LEU 7 2HB LEU 7 24.062 12.029 1.830 63 HG LEU 7 HG LEU 7 21.714 12.522 1.224 64 1HD1 LEU 7 1HD1 LEU 7 21.553 13.198 4.159 65 2HD1 LEU 7 2HD1 LEU 7 20.501 14.027 3.009 66 3HD1 LEU 7 3HD1 LEU 7 20.424 12.275 3.167 67 1HD2 LEU 7 1HD2 LEU 7 23.542 14.251 1.054 68 2HD2 LEU 7 2HD2 LEU 7 21.926 14.937 1.232 69 3HD2 LEU 7 3HD2 LEU 7 23.018 14.880 2.615 70 H ASN 8 H ASN 8 20.375 10.145 2.561 71 HA ASN 8 HA ASN 8 20.692 9.482 -0.288 72 1HB ASN 8 1HB ASN 8 19.800 7.398 1.732 73 2HB ASN 8 2HB ASN 8 19.744 7.206 -0.022 74 2HD2 ASN 8 2HD2 ASN 8 22.084 7.919 -1.031 75 1HD2 ASN 8 1HD2 ASN 8 23.404 7.176 -0.265 76 H ALA 9 H ALA 9 19.105 10.939 -0.874 77 HA ALA 9 HA ALA 9 16.535 11.001 0.596 78 1HB ALA 9 1HB ALA 9 17.609 12.615 -1.736 79 2HB ALA 9 2HB ALA 9 17.469 13.145 -0.060 80 3HB ALA 9 3HB ALA 9 16.015 12.856 -1.019 81 H GLN 10 H GLN 10 16.326 11.670 -2.745 82 HA GLN 10 HA GLN 10 14.466 9.447 -3.127 83 1HB GLN 10 1HB GLN 10 14.194 10.405 -5.415 84 2HB GLN 10 2HB GLN 10 13.930 11.597 -4.145 85 1HG GLN 10 1HG GLN 10 16.652 11.275 -5.428 86 2HG GLN 10 2HG GLN 10 15.410 12.280 -6.167 87 2HE2 GLN 10 2HE2 GLN 10 18.054 12.950 -4.675 88 1HE2 GLN 10 1HE2 GLN 10 17.578 14.117 -3.537 89 H HIS 11 H HIS 11 14.748 7.752 -4.690 90 HA HIS 11 HA HIS 11 17.537 7.359 -5.710 91 1HB HIS 11 1HB HIS 11 16.912 6.079 -3.511 92 2HB HIS 11 2HB HIS 11 15.928 5.069 -4.567 93 HD1 HIS 11 HD1 HIS 11 19.221 6.515 -5.692 94 HD2 HIS 11 HD2 HIS 11 17.695 2.848 -4.420 95 HE1 HIS 11 HE1 HIS 11 21.021 4.792 -6.148 96 H ASP 12 H ASP 12 17.140 7.501 -7.887 97 HA ASP 12 HA ASP 12 14.654 6.688 -9.102 98 1HB ASP 12 1HB ASP 12 15.809 7.101 -11.233 99 2HB ASP 12 2HB ASP 12 16.126 8.408 -10.091 100 H GLU 13 H GLU 13 17.552 4.969 -8.271 101 HA GLU 13 HA GLU 13 17.454 2.880 -10.197 102 1HB GLU 13 1HB GLU 13 18.390 2.895 -7.322 103 2HB GLU 13 2HB GLU 13 18.613 1.520 -8.402 104 1HG GLU 13 1HG GLU 13 19.850 2.956 -9.981 105 2HG GLU 13 2HG GLU 13 19.634 4.333 -8.901 106 H ALA 14 H ALA 14 15.745 3.243 -7.090 107 HA ALA 14 HA ALA 14 13.757 1.250 -8.016 108 1HB ALA 14 1HB ALA 14 15.058 0.943 -5.303 109 2HB ALA 14 2HB ALA 14 13.962 -0.178 -6.110 110 3HB ALA 14 3HB ALA 14 15.603 0.046 -6.720 111 H VAL 15 H VAL 15 11.796 1.300 -6.686 112 HA VAL 15 HA VAL 15 11.309 3.998 -5.556 113 HB VAL 15 HB VAL 15 9.304 1.757 -5.899 114 1HG1 VAL 15 1HG1 VAL 15 9.067 4.781 -5.854 115 2HG1 VAL 15 2HG1 VAL 15 7.727 3.655 -6.075 116 3HG1 VAL 15 3HG1 VAL 15 8.608 3.693 -4.546 117 1HG2 VAL 15 1HG2 VAL 15 10.204 3.834 -7.922 118 2HG2 VAL 15 2HG2 VAL 15 10.414 2.089 -8.057 119 3HG2 VAL 15 3HG2 VAL 15 8.797 2.791 -8.114 120 H ASP 16 H ASP 16 10.231 4.200 -3.425 121 HA ASP 16 HA ASP 16 10.591 1.839 -1.620 122 1HB ASP 16 1HB ASP 16 11.648 3.232 0.068 123 2HB ASP 16 2HB ASP 16 12.580 3.321 -1.426 124 H ALA 17 H ALA 17 10.076 3.951 0.578 125 HA ALA 17 HA ALA 17 7.501 3.421 1.289 126 1HB ALA 17 1HB ALA 17 8.837 4.786 2.737 127 2HB ALA 17 2HB ALA 17 8.943 6.066 1.527 128 3HB ALA 17 3HB ALA 17 7.406 5.732 2.323 129 H ASN 18 H ASN 18 8.417 5.610 -1.303 130 HA ASN 18 HA ASN 18 5.924 6.948 -1.615 131 1HB ASN 18 1HB ASN 18 7.973 7.626 -2.812 132 2HB ASN 18 2HB ASN 18 7.917 6.136 -3.756 133 2HD2 ASN 18 2HD2 ASN 18 7.112 6.583 -5.806 134 1HD2 ASN 18 1HD2 ASN 18 5.840 7.653 -6.144 135 H SER 19 H SER 19 7.080 3.827 -2.856 136 HA SER 19 HA SER 19 4.872 3.233 -4.547 137 1HB SER 19 1HB SER 19 6.954 1.920 -4.537 138 2HB SER 19 2HB SER 19 6.591 1.343 -2.913 139 HG SER 19 HG SER 19 5.017 0.941 -5.251 140 H LEU 20 H LEU 20 5.328 2.641 -1.057 141 HA LEU 20 HA LEU 20 2.954 1.121 -0.655 142 1HB LEU 20 1HB LEU 20 4.434 3.022 1.186 143 2HB LEU 20 2HB LEU 20 3.100 2.003 1.719 144 HG LEU 20 HG LEU 20 5.587 0.910 0.369 145 1HD1 LEU 20 1HD1 LEU 20 6.083 2.074 2.546 146 2HD1 LEU 20 2HD1 LEU 20 4.970 0.958 3.337 147 3HD1 LEU 20 3HD1 LEU 20 6.434 0.348 2.567 148 1HD2 LEU 20 1HD2 LEU 20 3.167 -0.296 1.712 149 2HD2 LEU 20 2HD2 LEU 20 3.949 -0.764 0.204 150 3HD2 LEU 20 3HD2 LEU 20 4.698 -1.164 1.746 151 H ALA 21 H ALA 21 3.513 4.624 -0.634 152 HA ALA 21 HA ALA 21 0.913 5.396 0.173 153 1HB ALA 21 1HB ALA 21 2.837 6.837 -1.671 154 2HB ALA 21 2HB ALA 21 2.805 6.967 0.086 155 3HB ALA 21 3HB ALA 21 1.451 7.574 -0.866 156 H GLU 22 H GLU 22 2.235 4.896 -3.121 157 HA GLU 22 HA GLU 22 -0.142 5.621 -4.512 158 1HB GLU 22 1HB GLU 22 2.096 5.239 -5.580 159 2HB GLU 22 2HB GLU 22 1.860 3.506 -5.347 160 1HG GLU 22 1HG GLU 22 -0.178 3.581 -6.710 161 2HG GLU 22 2HG GLU 22 0.016 5.320 -6.929 162 H ALA 23 H ALA 23 0.958 2.391 -3.425 163 HA ALA 23 HA ALA 23 -1.332 0.975 -4.358 164 1HB ALA 23 1HB ALA 23 0.375 0.402 -1.914 165 2HB ALA 23 2HB ALA 23 0.722 -0.155 -3.550 166 3HB ALA 23 3HB ALA 23 -0.708 -0.746 -2.702 167 H LYS 24 H LYS 24 -0.650 2.554 -1.246 168 HA LYS 24 HA LYS 24 -3.207 1.895 -0.076 169 1HB LYS 24 1HB LYS 24 -1.140 4.014 0.563 170 2HB LYS 24 2HB LYS 24 -2.586 3.743 1.538 171 1HG LYS 24 1HG LYS 24 -1.908 1.401 1.900 172 2HG LYS 24 2HG LYS 24 -0.460 1.668 0.929 173 1HD LYS 24 1HD LYS 24 0.287 3.404 2.515 174 2HD LYS 24 2HD LYS 24 -1.157 3.136 3.489 175 1HE LYS 24 1HE LYS 24 -0.411 0.678 3.616 176 2HE LYS 24 2HE LYS 24 1.144 1.239 3.003 177 1HZ LYS 24 1HZ LYS 24 1.021 2.929 4.881 178 2HZ LYS 24 2HZ LYS 24 -0.202 1.948 5.537 179 3HZ LYS 24 3HZ LYS 24 1.361 1.322 5.304 180 H VAL 25 H VAL 25 -1.946 4.715 -1.856 181 HA VAL 25 HA VAL 25 -4.314 6.309 -1.527 182 HB VAL 25 HB VAL 25 -2.098 6.394 -3.577 183 1HG1 VAL 25 1HG1 VAL 25 -4.551 8.118 -3.250 184 2HG1 VAL 25 2HG1 VAL 25 -3.069 8.777 -3.944 185 3HG1 VAL 25 3HG1 VAL 25 -3.882 7.420 -4.724 186 1HG2 VAL 25 1HG2 VAL 25 -1.852 7.000 -0.997 187 2HG2 VAL 25 2HG2 VAL 25 -1.122 8.033 -2.225 188 3HG2 VAL 25 3HG2 VAL 25 -2.655 8.489 -1.486 189 H LEU 26 H LEU 26 -3.245 4.119 -4.148 190 HA LEU 26 HA LEU 26 -5.493 4.570 -5.844 191 1HB LEU 26 1HB LEU 26 -3.730 2.134 -5.475 192 2HB LEU 26 2HB LEU 26 -4.975 2.236 -6.719 193 HG LEU 26 HG LEU 26 -2.697 4.216 -6.411 194 1HD1 LEU 26 1HD1 LEU 26 -3.035 1.880 -8.317 195 2HD1 LEU 26 2HD1 LEU 26 -1.737 3.073 -8.393 196 3HD1 LEU 26 3HD1 LEU 26 -1.858 1.985 -7.009 197 1HD2 LEU 26 1HD2 LEU 26 -5.008 3.917 -8.320 198 2HD2 LEU 26 2HD2 LEU 26 -4.303 5.380 -7.638 199 3HD2 LEU 26 3HD2 LEU 26 -3.480 4.539 -8.943 200 H ALA 27 H ALA 27 -5.015 2.270 -3.174 201 HA ALA 27 HA ALA 27 -7.656 1.092 -3.505 202 1HB ALA 27 1HB ALA 27 -6.103 -0.342 -2.465 203 2HB ALA 27 2HB ALA 27 -5.510 0.929 -1.395 204 3HB ALA 27 3HB ALA 27 -7.097 0.216 -1.119 205 H ASN 28 H ASN 28 -6.349 3.845 -1.821 206 HA ASN 28 HA ASN 28 -8.321 4.176 0.203 207 1HB ASN 28 1HB ASN 28 -6.214 5.498 0.036 208 2HB ASN 28 2HB ASN 28 -6.884 6.344 -1.359 209 2HD2 ASN 28 2HD2 ASN 28 -7.145 5.965 2.153 210 1HD2 ASN 28 1HD2 ASN 28 -8.166 7.298 2.398 211 H ARG 29 H ARG 29 -8.250 5.526 -3.129 212 HA ARG 29 HA ARG 29 -10.895 6.662 -2.847 213 1HB ARG 29 1HB ARG 29 -10.760 6.901 -5.362 214 2HB ARG 29 2HB ARG 29 -9.471 7.689 -4.457 215 1HG ARG 29 1HG ARG 29 -7.906 5.971 -4.996 216 2HG ARG 29 2HG ARG 29 -9.173 4.888 -5.551 217 1HD ARG 29 1HD ARG 29 -9.064 5.737 -7.657 218 2HD ARG 29 2HD ARG 29 -9.268 7.383 -7.079 219 HE ARG 29 HE ARG 29 -6.851 6.228 -8.056 220 1HH1 ARG 29 1HH1 ARG 29 -4.832 7.100 -7.619 221 2HH1 ARG 29 2HH1 ARG 29 -4.633 8.167 -6.269 222 1HH2 ARG 29 1HH2 ARG 29 -7.960 8.019 -5.321 223 2HH2 ARG 29 2HH2 ARG 29 -6.402 8.686 -4.970 224 H GLU 30 H GLU 30 -9.695 3.531 -3.877 225 HA GLU 30 HA GLU 30 -11.983 2.643 -5.327 226 1HB GLU 30 1HB GLU 30 -9.792 1.419 -5.177 227 2HB GLU 30 2HB GLU 30 -10.206 0.963 -3.527 228 1HG GLU 30 1HG GLU 30 -10.814 -0.865 -5.008 229 2HG GLU 30 2HG GLU 30 -12.292 -0.117 -4.407 230 H LEU 31 H LEU 31 -11.292 2.568 -1.825 231 HA LEU 31 HA LEU 31 -13.757 1.197 -1.132 232 1HB LEU 31 1HB LEU 31 -12.088 3.090 0.560 233 2HB LEU 31 2HB LEU 31 -13.246 1.905 1.157 234 HG LEU 31 HG LEU 31 -10.716 1.316 -0.371 235 1HD1 LEU 31 1HD1 LEU 31 -11.505 1.107 2.535 236 2HD1 LEU 31 2HD1 LEU 31 -10.224 0.091 1.871 237 3HD1 LEU 31 3HD1 LEU 31 -10.067 1.845 1.831 238 1HD2 LEU 31 1HD2 LEU 31 -13.043 -0.395 0.491 239 2HD2 LEU 31 2HD2 LEU 31 -12.112 -0.452 -1.005 240 3HD2 LEU 31 3HD2 LEU 31 -11.430 -1.102 0.482 241 H ASP 32 H ASP 32 -12.709 4.530 -1.368 242 HA ASP 32 HA ASP 32 -15.150 5.738 -0.456 243 1HB ASP 32 1HB ASP 32 -12.808 6.765 -0.708 244 2HB ASP 32 2HB ASP 32 -13.179 6.911 -2.424 245 H LYS 33 H LYS 33 -13.909 4.638 -3.552 246 HA LYS 33 HA LYS 33 -15.886 5.742 -5.269 247 1HB LYS 33 1HB LYS 33 -13.791 4.711 -6.060 248 2HB LYS 33 2HB LYS 33 -14.349 3.137 -5.504 249 1HG LYS 33 1HG LYS 33 -16.250 3.251 -7.071 250 2HG LYS 33 2HG LYS 33 -15.688 4.829 -7.632 251 1HD LYS 33 1HD LYS 33 -13.556 3.819 -8.350 252 2HD LYS 33 2HD LYS 33 -14.112 2.241 -7.793 253 1HE LYS 33 1HE LYS 33 -15.882 2.207 -9.417 254 2HE LYS 33 2HE LYS 33 -15.583 3.886 -9.861 255 1HZ LYS 33 1HZ LYS 33 -13.182 2.503 -10.126 256 2HZ LYS 33 2HZ LYS 33 -14.374 1.563 -10.882 257 3HZ LYS 33 3HZ LYS 33 -14.138 3.177 -11.358 258 H TYR 34 H TYR 34 -15.792 2.553 -3.618 259 HA TYR 34 HA TYR 34 -18.424 1.800 -4.562 260 1HB TYR 34 1HB TYR 34 -16.666 0.775 -2.325 261 2HB TYR 34 2HB TYR 34 -18.265 0.102 -2.650 262 HD1 TYR 34 HD1 TYR 34 -18.722 -0.463 -5.210 263 HD2 TYR 34 HD2 TYR 34 -14.828 -0.189 -3.417 264 HE1 TYR 34 HE1 TYR 34 -17.784 -1.855 -7.034 265 HE2 TYR 34 HE2 TYR 34 -13.894 -1.585 -5.243 266 HH TYR 34 HH TYR 34 -15.615 -3.468 -7.184 267 H GLY 35 H GLY 35 -17.198 3.558 -1.776 268 1HA GLY 35 1HA GLY 35 -19.997 4.314 -1.094 269 2HA GLY 35 2HA GLY 35 -18.545 5.176 -0.592 270 H VAL 36 H VAL 36 -17.399 2.357 0.094 271 HA VAL 36 HA VAL 36 -19.014 1.392 2.281 272 HB VAL 36 HB VAL 36 -17.142 -0.010 2.829 273 1HG1 VAL 36 1HG1 VAL 36 -17.390 0.440 -0.153 274 2HG1 VAL 36 2HG1 VAL 36 -16.595 -0.957 0.568 275 3HG1 VAL 36 3HG1 VAL 36 -18.320 -0.691 0.825 276 1HG2 VAL 36 1HG2 VAL 36 -15.581 1.948 1.139 277 2HG2 VAL 36 2HG2 VAL 36 -15.318 1.535 2.833 278 3HG2 VAL 36 3HG2 VAL 36 -14.957 0.358 1.572 279 H SER 37 H SER 37 -18.220 1.456 4.591 280 HA SER 37 HA SER 37 -18.109 4.059 5.596 281 1HB SER 37 1HB SER 37 -17.021 1.489 6.768 282 2HB SER 37 2HB SER 37 -17.099 3.001 7.668 283 HG SER 37 HG SER 37 -19.009 2.094 8.102 284 H ASP 38 H ASP 38 -16.473 5.513 6.073 285 HA ASP 38 HA ASP 38 -14.017 5.299 4.575 286 1HB ASP 38 1HB ASP 38 -13.430 7.435 5.644 287 2HB ASP 38 2HB ASP 38 -15.102 7.473 5.082 288 H TYR 39 H TYR 39 -14.956 4.009 7.548 289 HA TYR 39 HA TYR 39 -12.569 4.217 9.090 290 1HB TYR 39 1HB TYR 39 -14.581 3.349 10.115 291 2HB TYR 39 2HB TYR 39 -14.673 2.034 8.942 292 HD1 TYR 39 HD1 TYR 39 -12.991 3.276 11.968 293 HD2 TYR 39 HD2 TYR 39 -13.086 0.178 8.998 294 HE1 TYR 39 HE1 TYR 39 -11.533 1.862 13.392 295 HE2 TYR 39 HE2 TYR 39 -11.636 -1.232 10.413 296 HH TYR 39 HH TYR 39 -11.232 -1.010 13.435 297 H TYR 40 H TYR 40 -13.543 1.919 6.570 298 HA TYR 40 HA TYR 40 -11.363 0.120 6.795 299 1HB TYR 40 1HB TYR 40 -13.038 0.951 4.412 300 2HB TYR 40 2HB TYR 40 -11.844 -0.346 4.346 301 HD1 TYR 40 HD1 TYR 40 -15.133 0.681 5.618 302 HD2 TYR 40 HD2 TYR 40 -12.129 -2.395 5.688 303 HE1 TYR 40 HE1 TYR 40 -16.762 -0.893 6.626 304 HE2 TYR 40 HE2 TYR 40 -13.763 -3.969 6.688 305 HH TYR 40 HH TYR 40 -15.918 -3.712 8.118 306 H LYS 41 H LYS 41 -11.592 3.243 5.090 307 HA LYS 41 HA LYS 41 -9.160 3.014 3.624 308 1HB LYS 41 1HB LYS 41 -10.563 5.434 4.791 309 2HB LYS 41 2HB LYS 41 -9.149 5.545 3.739 310 1HG LYS 41 1HG LYS 41 -10.482 4.129 2.065 311 2HG LYS 41 2HG LYS 41 -11.892 4.464 3.072 312 1HD LYS 41 1HD LYS 41 -10.099 6.538 1.790 313 2HD LYS 41 2HD LYS 41 -11.717 6.104 1.248 314 1HE LYS 41 1HE LYS 41 -12.465 6.723 3.640 315 2HE LYS 41 2HE LYS 41 -10.900 7.515 3.780 316 1HZ LYS 41 1HZ LYS 41 -11.622 8.528 1.496 317 2HZ LYS 41 2HZ LYS 41 -13.183 8.192 2.077 318 3HZ LYS 41 3HZ LYS 41 -12.153 9.210 2.959 319 H ASN 42 H ASN 42 -9.867 4.200 6.879 320 HA ASN 42 HA ASN 42 -7.215 4.968 7.535 321 1HB ASN 42 1HB ASN 42 -9.155 5.556 8.952 322 2HB ASN 42 2HB ASN 42 -9.354 3.855 9.377 323 2HD2 ASN 42 2HD2 ASN 42 -6.645 6.255 9.321 324 1HD2 ASN 42 1HD2 ASN 42 -6.015 5.791 10.828 325 H LEU 43 H LEU 43 -8.874 1.842 7.753 326 HA LEU 43 HA LEU 43 -6.802 0.428 9.096 327 1HB LEU 43 1HB LEU 43 -9.066 -0.507 8.766 328 2HB LEU 43 2HB LEU 43 -8.778 -0.601 7.030 329 HG LEU 43 HG LEU 43 -6.910 -2.172 7.425 330 1HD1 LEU 43 1HD1 LEU 43 -7.586 -1.576 10.299 331 2HD1 LEU 43 2HD1 LEU 43 -6.933 -3.159 9.880 332 3HD1 LEU 43 3HD1 LEU 43 -6.004 -1.704 9.529 333 1HD2 LEU 43 1HD2 LEU 43 -9.330 -2.924 7.174 334 2HD2 LEU 43 2HD2 LEU 43 -8.262 -4.079 7.970 335 3HD2 LEU 43 3HD2 LEU 43 -9.371 -3.098 8.929 336 H ILE 44 H ILE 44 -7.319 1.126 5.641 337 HA ILE 44 HA ILE 44 -5.179 -0.457 4.616 338 HB ILE 44 HB ILE 44 -6.407 2.138 3.640 339 1HG1 ILE 44 1HG1 ILE 44 -7.679 -0.168 3.716 340 2HG1 ILE 44 2HG1 ILE 44 -7.779 0.831 2.271 341 1HG2 ILE 44 1HG2 ILE 44 -4.267 0.415 2.393 342 2HG2 ILE 44 2HG2 ILE 44 -5.306 1.455 1.419 343 3HG2 ILE 44 3HG2 ILE 44 -4.258 2.159 2.652 344 1HD1 ILE 44 1HD1 ILE 44 -5.623 -1.263 2.505 345 2HD1 ILE 44 2HD1 ILE 44 -7.252 -1.711 2.000 346 3HD1 ILE 44 3HD1 ILE 44 -6.321 -0.550 1.055 347 H ASN 45 H ASN 45 -5.262 2.852 5.886 348 HA ASN 45 HA ASN 45 -2.570 3.555 5.305 349 1HB ASN 45 1HB ASN 45 -4.433 4.427 7.530 350 2HB ASN 45 2HB ASN 45 -2.845 5.149 7.260 351 2HD2 ASN 45 2HD2 ASN 45 -5.309 6.643 6.970 352 1HD2 ASN 45 1HD2 ASN 45 -5.463 7.074 5.335 353 H ASN 46 H ASN 46 -3.990 1.828 8.059 354 HA ASN 46 HA ASN 46 -1.391 1.599 9.411 355 1HB ASN 46 1HB ASN 46 -4.084 0.339 10.008 356 2HB ASN 46 2HB ASN 46 -2.669 0.252 11.059 357 2HD2 ASN 46 2HD2 ASN 46 -1.656 2.749 11.196 358 1HD2 ASN 46 1HD2 ASN 46 -2.815 3.885 11.692 359 H ALA 47 H ALA 47 -2.495 0.110 6.721 360 HA ALA 47 HA ALA 47 -2.321 -2.662 7.130 361 1HB ALA 47 1HB ALA 47 -2.798 -1.445 4.942 362 2HB ALA 47 2HB ALA 47 -1.758 -2.862 4.808 363 3HB ALA 47 3HB ALA 47 -1.054 -1.247 4.774 364 H LYS 48 H LYS 48 -0.647 -4.090 7.510 365 HA LYS 48 HA LYS 48 2.063 -2.906 7.985 366 1HB LYS 48 1HB LYS 48 0.710 -5.373 9.100 367 2HB LYS 48 2HB LYS 48 2.409 -4.984 9.376 368 1HG LYS 48 1HG LYS 48 1.740 -2.811 10.360 369 2HG LYS 48 2HG LYS 48 0.046 -3.235 10.124 370 1HD LYS 48 1HD LYS 48 1.991 -4.874 11.778 371 2HD LYS 48 2HD LYS 48 0.888 -3.678 12.454 372 1HE LYS 48 1HE LYS 48 -0.374 -5.620 12.704 373 2HE LYS 48 2HE LYS 48 -0.942 -5.077 11.127 374 1HZ LYS 48 1HZ LYS 48 1.385 -6.576 10.747 375 2HZ LYS 48 2HZ LYS 48 0.373 -7.462 11.780 376 3HZ LYS 48 3HZ LYS 48 -0.199 -6.955 10.262 377 H THR 49 H THR 49 0.659 -4.273 5.464 378 HA THR 49 HA THR 49 3.170 -5.639 4.664 379 HB THR 49 HB THR 49 0.514 -7.011 4.222 380 HG1 THR 49 HG1 THR 49 1.513 -8.381 5.999 381 1HG2 THR 49 1HG2 THR 49 2.426 -7.630 2.790 382 2HG2 THR 49 2HG2 THR 49 3.387 -7.967 4.229 383 3HG2 THR 49 3HG2 THR 49 1.970 -8.954 3.860 384 H VAL 50 H VAL 50 3.486 -5.648 2.412 385 HA VAL 50 HA VAL 50 2.155 -3.540 0.950 386 HB VAL 50 HB VAL 50 3.776 -5.767 -0.287 387 1HG1 VAL 50 1HG1 VAL 50 3.491 -2.808 -0.887 388 2HG1 VAL 50 2HG1 VAL 50 4.502 -3.939 -1.787 389 3HG1 VAL 50 3HG1 VAL 50 2.748 -4.123 -1.799 390 1HG2 VAL 50 1HG2 VAL 50 4.696 -3.476 1.454 391 2HG2 VAL 50 2HG2 VAL 50 5.166 -5.173 1.531 392 3HG2 VAL 50 3HG2 VAL 50 5.752 -4.154 0.217 393 H GLU 51 H GLU 51 2.269 -7.072 0.422 394 HA GLU 51 HA GLU 51 0.227 -7.134 -1.559 395 1HB GLU 51 1HB GLU 51 1.188 -9.235 0.399 396 2HB GLU 51 2HB GLU 51 0.025 -9.567 -0.886 397 1HG GLU 51 1HG GLU 51 1.657 -8.802 -2.569 398 2HG GLU 51 2HG GLU 51 2.824 -8.469 -1.287 399 H GLY 52 H GLY 52 0.117 -7.380 1.963 400 1HA GLY 52 1HA GLY 52 -1.693 -7.023 3.418 401 2HA GLY 52 2HA GLY 52 -2.555 -8.117 2.335 402 H VAL 53 H VAL 53 -1.248 -5.128 1.061 403 HA VAL 53 HA VAL 53 -3.507 -3.444 1.576 404 HB VAL 53 HB VAL 53 -1.492 -3.404 -0.686 405 1HG1 VAL 53 1HG1 VAL 53 -3.711 -1.493 0.046 406 2HG1 VAL 53 2HG1 VAL 53 -2.286 -0.960 -0.845 407 3HG1 VAL 53 3HG1 VAL 53 -3.344 -2.192 -1.531 408 1HG2 VAL 53 1HG2 VAL 53 -1.746 -1.954 1.961 409 2HG2 VAL 53 2HG2 VAL 53 -0.425 -2.991 1.422 410 3HG2 VAL 53 3HG2 VAL 53 -0.666 -1.410 0.678 411 H LYS 54 H LYS 54 -2.759 -5.427 -1.340 412 HA LYS 54 HA LYS 54 -5.356 -4.796 -2.505 413 1HB LYS 54 1HB LYS 54 -4.734 -6.449 -4.244 414 2HB LYS 54 2HB LYS 54 -3.466 -5.255 -3.978 415 1HG LYS 54 1HG LYS 54 -2.268 -6.844 -2.528 416 2HG LYS 54 2HG LYS 54 -3.531 -8.045 -2.790 417 1HD LYS 54 1HD LYS 54 -3.053 -8.017 -5.209 418 2HD LYS 54 2HD LYS 54 -1.782 -6.822 -4.942 419 1HE LYS 54 1HE LYS 54 -0.554 -8.402 -3.531 420 2HE LYS 54 2HE LYS 54 -1.844 -9.593 -3.709 421 1HZ LYS 54 1HZ LYS 54 -1.446 -9.550 -6.120 422 2HZ LYS 54 2HZ LYS 54 -0.137 -8.499 -5.877 423 3HZ LYS 54 3HZ LYS 54 -0.086 -10.076 -5.247 424 H ALA 55 H ALA 55 -4.006 -7.555 -0.731 425 HA ALA 55 HA ALA 55 -6.234 -9.312 -1.151 426 1HB ALA 55 1HB ALA 55 -5.383 -10.506 0.857 427 2HB ALA 55 2HB ALA 55 -4.282 -9.163 1.164 428 3HB ALA 55 3HB ALA 55 -4.094 -10.142 -0.289 429 H LEU 56 H LEU 56 -5.706 -6.614 0.951 430 HA LEU 56 HA LEU 56 -7.796 -7.224 2.819 431 1HB LEU 56 1HB LEU 56 -6.018 -5.683 3.407 432 2HB LEU 56 2HB LEU 56 -6.494 -4.593 2.110 433 HG LEU 56 HG LEU 56 -8.652 -4.188 3.203 434 1HD1 LEU 56 1HD1 LEU 56 -7.645 -6.320 5.093 435 2HD1 LEU 56 2HD1 LEU 56 -8.814 -5.119 5.641 436 3HD1 LEU 56 3HD1 LEU 56 -9.221 -6.196 4.308 437 1HD2 LEU 56 1HD2 LEU 56 -6.560 -2.908 3.861 438 2HD2 LEU 56 2HD2 LEU 56 -7.830 -2.912 5.081 439 3HD2 LEU 56 3HD2 LEU 56 -6.432 -3.972 5.257 440 H ILE 57 H ILE 57 -7.645 -5.578 -0.283 441 HA ILE 57 HA ILE 57 -10.389 -4.585 -0.108 442 HB ILE 57 HB ILE 57 -8.856 -5.050 -2.675 443 1HG1 ILE 57 1HG1 ILE 57 -7.266 -3.902 -1.287 444 2HG1 ILE 57 2HG1 ILE 57 -7.996 -2.681 -2.326 445 1HG2 ILE 57 1HG2 ILE 57 -11.280 -4.288 -2.643 446 2HG2 ILE 57 2HG2 ILE 57 -10.724 -2.808 -1.861 447 3HG2 ILE 57 3HG2 ILE 57 -10.170 -3.210 -3.487 448 1HD1 ILE 57 1HD1 ILE 57 -9.676 -2.337 -0.378 449 2HD1 ILE 57 2HD1 ILE 57 -8.492 -3.197 0.603 450 3HD1 ILE 57 3HD1 ILE 57 -8.053 -1.687 -0.189 451 H ASP 58 H ASP 58 -8.695 -7.362 -1.498 452 HA ASP 58 HA ASP 58 -10.981 -8.475 -2.856 453 1HB ASP 58 1HB ASP 58 -8.411 -9.720 -1.859 454 2HB ASP 58 2HB ASP 58 -9.611 -10.604 -2.799 455 H GLU 59 H GLU 59 -9.637 -9.000 0.405 456 HA GLU 59 HA GLU 59 -11.499 -11.115 1.030 457 1HB GLU 59 1HB GLU 59 -10.662 -10.990 3.266 458 2HB GLU 59 2HB GLU 59 -9.285 -10.627 2.227 459 1HG GLU 59 1HG GLU 59 -9.830 -8.197 2.525 460 2HG GLU 59 2HG GLU 59 -10.980 -8.663 3.771 461 H ILE 60 H ILE 60 -11.476 -7.609 1.454 462 HA ILE 60 HA ILE 60 -13.922 -7.527 2.968 463 HB ILE 60 HB ILE 60 -12.470 -5.431 1.336 464 1HG1 ILE 60 1HG1 ILE 60 -12.824 -5.709 4.332 465 2HG1 ILE 60 2HG1 ILE 60 -11.443 -6.377 3.463 466 1HG2 ILE 60 1HG2 ILE 60 -14.974 -5.242 3.029 467 2HG2 ILE 60 2HG2 ILE 60 -13.967 -3.839 2.672 468 3HG2 ILE 60 3HG2 ILE 60 -14.754 -4.717 1.359 469 1HD1 ILE 60 1HD1 ILE 60 -10.985 -4.075 2.559 470 2HD1 ILE 60 2HD1 ILE 60 -12.262 -3.463 3.607 471 3HD1 ILE 60 3HD1 ILE 60 -10.818 -4.191 4.311 472 H LEU 61 H LEU 61 -13.168 -7.259 -0.498 473 HA LEU 61 HA LEU 61 -15.890 -6.693 -1.283 474 1HB LEU 61 1HB LEU 61 -13.499 -7.755 -2.809 475 2HB LEU 61 2HB LEU 61 -15.058 -7.462 -3.575 476 HG LEU 61 HG LEU 61 -13.516 -5.349 -2.037 477 1HD1 LEU 61 1HD1 LEU 61 -13.611 -5.960 -5.006 478 2HD1 LEU 61 2HD1 LEU 61 -12.953 -4.473 -4.325 479 3HD1 LEU 61 3HD1 LEU 61 -12.193 -6.021 -3.960 480 1HD2 LEU 61 1HD2 LEU 61 -16.042 -5.374 -3.692 481 2HD2 LEU 61 2HD2 LEU 61 -15.731 -4.578 -2.149 482 3HD2 LEU 61 3HD2 LEU 61 -15.060 -3.911 -3.632 483 H ALA 62 H ALA 62 -14.035 -9.653 -0.798 484 HA ALA 62 HA ALA 62 -15.855 -11.473 -2.017 485 1HB ALA 62 1HB ALA 62 -13.979 -11.806 0.340 486 2HB ALA 62 2HB ALA 62 -14.877 -13.142 -0.381 487 3HB ALA 62 3HB ALA 62 -13.681 -12.266 -1.337 488 H ALA 63 H ALA 63 -15.769 -10.069 1.241 489 HA ALA 63 HA ALA 63 -17.975 -11.603 2.274 490 1HB ALA 63 1HB ALA 63 -18.065 -9.818 4.024 491 2HB ALA 63 2HB ALA 63 -16.442 -10.466 3.790 492 3HB ALA 63 3HB ALA 63 -16.874 -8.900 3.101 493 H LEU 64 H LEU 64 -17.886 -9.292 -0.138 494 HA LEU 64 HA LEU 64 -20.803 -8.670 0.218 495 1HB LEU 64 1HB LEU 64 -18.695 -6.810 -0.919 496 2HB LEU 64 2HB LEU 64 -20.404 -6.445 -0.701 497 HG LEU 64 HG LEU 64 -18.533 -7.170 1.573 498 1HD1 LEU 64 1HD1 LEU 64 -19.471 -4.456 0.596 499 2HD1 LEU 64 2HD1 LEU 64 -18.608 -4.738 2.107 500 3HD1 LEU 64 3HD1 LEU 64 -17.816 -5.063 0.565 501 1HD2 LEU 64 1HD2 LEU 64 -21.401 -6.224 1.382 502 2HD2 LEU 64 2HD2 LEU 64 -20.755 -7.599 2.276 503 3HD2 LEU 64 3HD2 LEU 64 -20.455 -5.960 2.846 504 HA PRO 65 HA PRO 65 -19.853 -10.839 -3.836 505 1HB PRO 65 1HB PRO 65 -22.624 -11.806 -3.491 506 2HB PRO 65 2HB PRO 65 -21.139 -12.735 -3.725 507 1HG PRO 65 1HG PRO 65 -22.538 -12.583 -1.333 508 2HG PRO 65 2HG PRO 65 -20.835 -13.036 -1.474 509 1HD PRO 65 1HD PRO 65 -22.009 -10.528 -0.429 510 2HD PRO 65 2HD PRO 65 -20.371 -11.185 -0.191 No H/Q in entry = 510 Start of MODEL 24 1 H1 MET 1 H1 MET 1 42.593 -5.834 -2.822 2 H2 MET 1 H2 MET 1 43.896 -6.411 -1.896 3 H3 MET 1 H3 MET 1 42.402 -6.097 -1.155 4 HA MET 1 HA MET 1 43.259 -4.125 -0.605 5 1HB MET 1 1HB MET 1 45.503 -5.109 -1.407 6 2HB MET 1 2HB MET 1 45.202 -4.258 -2.921 7 1HG MET 1 1HG MET 1 46.511 -2.759 -1.617 8 2HG MET 1 2HG MET 1 44.858 -2.157 -1.493 9 1HE MET 1 1HE MET 1 45.850 -0.767 0.486 10 2HE MET 1 2HE MET 1 44.161 -1.234 0.655 11 3HE MET 1 3HE MET 1 45.247 -1.304 2.052 12 H LYS 2 H LYS 2 43.560 -4.321 -4.165 13 HA LYS 2 HA LYS 2 42.023 -1.797 -4.418 14 1HB LYS 2 1HB LYS 2 42.679 -1.949 -6.814 15 2HB LYS 2 2HB LYS 2 44.069 -1.991 -5.732 16 1HG LYS 2 1HG LYS 2 44.275 -4.384 -5.964 17 2HG LYS 2 2HG LYS 2 42.750 -4.487 -6.840 18 1HD LYS 2 1HD LYS 2 44.653 -4.598 -8.396 19 2HD LYS 2 2HD LYS 2 43.703 -3.140 -8.672 20 1HE LYS 2 1HE LYS 2 46.062 -3.049 -6.802 21 2HE LYS 2 2HE LYS 2 46.315 -2.955 -8.543 22 1HZ LYS 2 1HZ LYS 2 44.185 -1.262 -7.770 23 2HZ LYS 2 2HZ LYS 2 45.563 -0.906 -6.848 24 3HZ LYS 2 3HZ LYS 2 45.643 -0.861 -8.544 25 H ALA 3 H ALA 3 41.143 -4.885 -3.992 26 HA ALA 3 HA ALA 3 39.484 -5.659 -6.110 27 1HB ALA 3 1HB ALA 3 38.062 -6.770 -4.392 28 2HB ALA 3 2HB ALA 3 38.917 -5.875 -3.136 29 3HB ALA 3 3HB ALA 3 39.781 -7.057 -4.119 30 H ILE 4 H ILE 4 37.273 -5.210 -6.630 31 HA ILE 4 HA ILE 4 36.492 -2.459 -6.282 32 HB ILE 4 HB ILE 4 34.853 -4.835 -7.226 33 1HG1 ILE 4 1HG1 ILE 4 36.299 -2.742 -8.872 34 2HG1 ILE 4 2HG1 ILE 4 37.011 -4.308 -8.477 35 1HG2 ILE 4 1HG2 ILE 4 34.457 -1.838 -7.390 36 2HG2 ILE 4 2HG2 ILE 4 33.598 -2.968 -8.434 37 3HG2 ILE 4 3HG2 ILE 4 33.366 -3.031 -6.688 38 1HD1 ILE 4 1HD1 ILE 4 34.349 -3.941 -9.879 39 2HD1 ILE 4 2HD1 ILE 4 35.868 -4.303 -10.699 40 3HD1 ILE 4 3HD1 ILE 4 35.173 -5.471 -9.574 41 H PHE 5 H PHE 5 35.216 -1.556 -4.703 42 HA PHE 5 HA PHE 5 34.586 -3.077 -2.335 43 1HB PHE 5 1HB PHE 5 33.735 -0.313 -3.243 44 2HB PHE 5 2HB PHE 5 33.367 -0.978 -1.653 45 HD1 PHE 5 HD1 PHE 5 36.025 0.262 -3.875 46 HD2 PHE 5 HD2 PHE 5 35.128 -1.347 0.006 47 HE1 PHE 5 HE1 PHE 5 38.269 0.948 -3.071 48 HE2 PHE 5 HE2 PHE 5 37.373 -0.661 0.809 49 HZ PHE 5 HZ PHE 5 38.943 0.486 -0.731 50 H VAL 6 H VAL 6 32.536 -3.717 -1.554 51 HA VAL 6 HA VAL 6 30.310 -3.767 -3.575 52 HB VAL 6 HB VAL 6 31.002 -5.871 -1.498 53 1HG1 VAL 6 1HG1 VAL 6 28.867 -5.713 -3.644 54 2HG1 VAL 6 2HG1 VAL 6 29.262 -7.185 -2.755 55 3HG1 VAL 6 3HG1 VAL 6 28.612 -5.785 -1.900 56 1HG2 VAL 6 1HG2 VAL 6 32.601 -5.781 -3.403 57 2HG2 VAL 6 2HG2 VAL 6 31.641 -7.259 -3.418 58 3HG2 VAL 6 3HG2 VAL 6 31.249 -5.942 -4.524 59 H LEU 7 H LEU 7 28.430 -2.856 -2.836 60 HA LEU 7 HA LEU 7 28.290 -1.458 -0.379 61 1HB LEU 7 1HB LEU 7 26.163 -2.482 -2.269 62 2HB LEU 7 2HB LEU 7 25.727 -1.622 -0.794 63 HG LEU 7 HG LEU 7 27.257 0.255 -1.554 64 1HD1 LEU 7 1HD1 LEU 7 27.256 -1.446 -4.061 65 2HD1 LEU 7 2HD1 LEU 7 27.665 0.269 -4.062 66 3HD1 LEU 7 3HD1 LEU 7 28.654 -0.871 -3.154 67 1HD2 LEU 7 1HD2 LEU 7 24.776 0.282 -1.825 68 2HD2 LEU 7 2HD2 LEU 7 25.605 1.169 -3.104 69 3HD2 LEU 7 3HD2 LEU 7 24.971 -0.446 -3.420 70 H ASN 8 H ASN 8 27.969 -2.161 1.676 71 HA ASN 8 HA ASN 8 27.709 -4.978 2.254 72 1HB ASN 8 1HB ASN 8 28.855 -3.256 3.715 73 2HB ASN 8 2HB ASN 8 27.253 -2.665 4.157 74 2HD2 ASN 8 2HD2 ASN 8 27.941 -3.397 6.414 75 1HD2 ASN 8 1HD2 ASN 8 27.718 -5.028 6.828 76 H ALA 9 H ALA 9 25.462 -2.229 2.335 77 HA ALA 9 HA ALA 9 23.227 -4.064 3.066 78 1HB ALA 9 1HB ALA 9 21.936 -1.966 3.365 79 2HB ALA 9 2HB ALA 9 23.400 -1.981 4.349 80 3HB ALA 9 3HB ALA 9 23.350 -1.040 2.858 81 H GLN 10 H GLN 10 21.123 -3.575 1.843 82 HA GLN 10 HA GLN 10 21.565 -4.013 -0.976 83 1HB GLN 10 1HB GLN 10 19.069 -3.429 0.638 84 2HB GLN 10 2HB GLN 10 19.043 -3.781 -1.091 85 1HG GLN 10 1HG GLN 10 19.989 -5.967 -0.739 86 2HG GLN 10 2HG GLN 10 20.314 -5.612 0.959 87 2HE2 GLN 10 2HE2 GLN 10 18.667 -7.838 0.119 88 1HE2 GLN 10 1HE2 GLN 10 17.086 -7.544 0.659 89 H HIS 11 H HIS 11 21.033 -2.592 -2.723 90 HA HIS 11 HA HIS 11 21.789 0.126 -2.374 91 1HB HIS 11 1HB HIS 11 20.956 0.452 -4.677 92 2HB HIS 11 2HB HIS 11 21.903 -1.030 -4.549 93 HD1 HIS 11 HD1 HIS 11 20.350 -3.273 -4.076 94 HD2 HIS 11 HD2 HIS 11 18.447 0.034 -5.757 95 HE1 HIS 11 HE1 HIS 11 18.199 -4.130 -5.103 96 H ASP 12 H ASP 12 18.570 -1.384 -2.529 97 HA ASP 12 HA ASP 12 17.314 1.272 -1.971 98 1HB ASP 12 1HB ASP 12 16.175 -1.400 -2.836 99 2HB ASP 12 2HB ASP 12 15.178 -0.008 -2.408 100 H GLU 13 H GLU 13 17.549 1.576 0.242 101 HA GLU 13 HA GLU 13 17.418 -0.471 2.219 102 1HB GLU 13 1HB GLU 13 18.295 1.820 2.633 103 2HB GLU 13 2HB GLU 13 16.655 2.453 2.494 104 1HG GLU 13 1HG GLU 13 15.946 1.057 4.399 105 2HG GLU 13 2HG GLU 13 17.582 0.412 4.537 106 H ALA 14 H ALA 14 14.903 1.596 0.800 107 HA ALA 14 HA ALA 14 12.810 0.194 2.384 108 1HB ALA 14 1HB ALA 14 11.343 1.939 1.728 109 2HB ALA 14 2HB ALA 14 12.361 2.397 0.362 110 3HB ALA 14 3HB ALA 14 12.885 2.749 2.009 111 H VAL 15 H VAL 15 11.172 -1.039 1.363 112 HA VAL 15 HA VAL 15 11.922 -2.495 -0.975 113 HB VAL 15 HB VAL 15 9.225 -2.110 0.358 114 1HG1 VAL 15 1HG1 VAL 15 10.075 -3.877 -1.943 115 2HG1 VAL 15 2HG1 VAL 15 8.678 -4.257 -0.936 116 3HG1 VAL 15 3HG1 VAL 15 8.709 -2.764 -1.873 117 1HG2 VAL 15 1HG2 VAL 15 11.257 -4.364 0.401 118 2HG2 VAL 15 2HG2 VAL 15 10.917 -3.250 1.725 119 3HG2 VAL 15 3HG2 VAL 15 9.686 -4.399 1.202 120 H ASP 16 H ASP 16 9.524 0.121 -0.537 121 HA ASP 16 HA ASP 16 10.013 0.997 -3.329 122 1HB ASP 16 1HB ASP 16 7.324 0.126 -2.246 123 2HB ASP 16 2HB ASP 16 7.503 1.143 -3.675 124 H ALA 17 H ALA 17 9.461 3.214 -3.651 125 HA ALA 17 HA ALA 17 8.877 4.733 -1.126 126 1HB ALA 17 1HB ALA 17 11.111 5.078 -2.333 127 2HB ALA 17 2HB ALA 17 10.176 5.838 -3.622 128 3HB ALA 17 3HB ALA 17 10.167 6.530 -2.000 129 H ASN 18 H ASN 18 7.506 3.784 -4.054 130 HA ASN 18 HA ASN 18 5.496 6.000 -3.873 131 1HB ASN 18 1HB ASN 18 6.820 4.917 -6.373 132 2HB ASN 18 2HB ASN 18 5.357 5.902 -6.394 133 2HD2 ASN 18 2HD2 ASN 18 5.922 7.784 -4.379 134 1HD2 ASN 18 1HD2 ASN 18 7.274 8.707 -4.828 135 H SER 19 H SER 19 6.190 2.721 -5.140 136 HA SER 19 HA SER 19 3.495 2.067 -5.774 137 1HB SER 19 1HB SER 19 5.719 0.242 -4.822 138 2HB SER 19 2HB SER 19 4.213 -0.300 -5.549 139 HG SER 19 HG SER 19 6.067 -0.045 -7.000 140 H LEU 20 H LEU 20 5.297 1.748 -2.710 141 HA LEU 20 HA LEU 20 3.280 0.353 -1.274 142 1HB LEU 20 1HB LEU 20 5.571 0.641 -0.414 143 2HB LEU 20 2HB LEU 20 5.299 2.372 -0.248 144 HG LEU 20 HG LEU 20 3.518 1.946 1.408 145 1HD1 LEU 20 1HD1 LEU 20 4.155 -0.928 0.734 146 2HD1 LEU 20 2HD1 LEU 20 3.493 -0.505 2.313 147 3HD1 LEU 20 3HD1 LEU 20 2.578 -0.149 0.852 148 1HD2 LEU 20 1HD2 LEU 20 6.120 0.490 1.980 149 2HD2 LEU 20 2HD2 LEU 20 5.842 2.220 2.178 150 3HD2 LEU 20 3HD2 LEU 20 4.988 1.067 3.204 151 H ALA 21 H ALA 21 3.879 3.875 -1.493 152 HA ALA 21 HA ALA 21 1.514 4.537 0.010 153 1HB ALA 21 1HB ALA 21 3.651 5.974 -0.481 154 2HB ALA 21 2HB ALA 21 2.796 6.427 -1.955 155 3HB ALA 21 3HB ALA 21 2.086 6.778 -0.380 156 H GLU 22 H GLU 22 2.275 4.361 -3.454 157 HA GLU 22 HA GLU 22 -0.189 5.381 -4.424 158 1HB GLU 22 1HB GLU 22 1.884 4.913 -5.799 159 2HB GLU 22 2HB GLU 22 1.449 3.204 -5.740 160 1HG GLU 22 1HG GLU 22 0.580 4.133 -7.803 161 2HG GLU 22 2HG GLU 22 -0.779 3.797 -6.731 162 H ALA 23 H ALA 23 0.734 2.070 -3.503 163 HA ALA 23 HA ALA 23 -1.622 0.780 -4.432 164 1HB ALA 23 1HB ALA 23 -1.076 -0.996 -2.831 165 2HB ALA 23 2HB ALA 23 0.397 -0.426 -3.615 166 3HB ALA 23 3HB ALA 23 0.017 0.090 -1.972 167 H LYS 24 H LYS 24 -0.914 2.287 -1.267 168 HA LYS 24 HA LYS 24 -3.538 1.713 -0.200 169 1HB LYS 24 1HB LYS 24 -1.402 3.707 0.595 170 2HB LYS 24 2HB LYS 24 -2.901 3.490 1.499 171 1HG LYS 24 1HG LYS 24 -2.345 1.042 1.693 172 2HG LYS 24 2HG LYS 24 -0.780 1.388 0.968 173 1HD LYS 24 1HD LYS 24 -1.828 2.686 3.502 174 2HD LYS 24 2HD LYS 24 -0.711 1.330 3.466 175 1HE LYS 24 1HE LYS 24 -0.234 4.162 2.564 176 2HE LYS 24 2HE LYS 24 0.686 3.203 3.721 177 1HZ LYS 24 1HZ LYS 24 1.196 1.693 1.782 178 2HZ LYS 24 2HZ LYS 24 0.604 2.929 0.777 179 3HZ LYS 24 3HZ LYS 24 1.952 3.211 1.772 180 H VAL 25 H VAL 25 -2.114 4.517 -1.868 181 HA VAL 25 HA VAL 25 -4.357 6.253 -1.558 182 HB VAL 25 HB VAL 25 -2.252 6.092 -3.721 183 1HG1 VAL 25 1HG1 VAL 25 -4.470 8.091 -3.266 184 2HG1 VAL 25 2HG1 VAL 25 -3.014 8.491 -4.176 185 3HG1 VAL 25 3HG1 VAL 25 -4.086 7.212 -4.744 186 1HG2 VAL 25 1HG2 VAL 25 -1.645 6.679 -1.301 187 2HG2 VAL 25 2HG2 VAL 25 -1.179 7.861 -2.526 188 3HG2 VAL 25 3HG2 VAL 25 -2.604 8.141 -1.526 189 H LEU 26 H LEU 26 -3.510 4.008 -4.216 190 HA LEU 26 HA LEU 26 -5.825 4.500 -5.800 191 1HB LEU 26 1HB LEU 26 -4.096 2.030 -5.495 192 2HB LEU 26 2HB LEU 26 -5.379 2.160 -6.697 193 HG LEU 26 HG LEU 26 -3.084 4.130 -6.455 194 1HD1 LEU 26 1HD1 LEU 26 -3.419 1.733 -8.285 195 2HD1 LEU 26 2HD1 LEU 26 -2.159 2.956 -8.450 196 3HD1 LEU 26 3HD1 LEU 26 -2.203 1.922 -7.022 197 1HD2 LEU 26 1HD2 LEU 26 -5.395 3.757 -8.359 198 2HD2 LEU 26 2HD2 LEU 26 -4.738 5.243 -7.681 199 3HD2 LEU 26 3HD2 LEU 26 -3.881 4.417 -8.975 200 H ALA 27 H ALA 27 -5.249 2.084 -3.248 201 HA ALA 27 HA ALA 27 -7.893 0.943 -3.429 202 1HB ALA 27 1HB ALA 27 -5.775 -0.078 -2.366 203 2HB ALA 27 2HB ALA 27 -6.158 0.909 -0.956 204 3HB ALA 27 3HB ALA 27 -7.299 -0.316 -1.511 205 H ASN 28 H ASN 28 -6.504 3.631 -1.637 206 HA ASN 28 HA ASN 28 -8.526 3.972 0.322 207 1HB ASN 28 1HB ASN 28 -6.386 5.185 0.359 208 2HB ASN 28 2HB ASN 28 -6.870 6.090 -1.076 209 2HD2 ASN 28 2HD2 ASN 28 -7.499 5.670 2.384 210 1HD2 ASN 28 1HD2 ASN 28 -8.426 7.078 2.566 211 H ARG 29 H ARG 29 -8.322 5.471 -2.951 212 HA ARG 29 HA ARG 29 -10.849 6.824 -2.627 213 1HB ARG 29 1HB ARG 29 -10.736 7.069 -5.147 214 2HB ARG 29 2HB ARG 29 -9.382 7.742 -4.245 215 1HG ARG 29 1HG ARG 29 -7.941 5.957 -4.849 216 2HG ARG 29 2HG ARG 29 -9.280 4.924 -5.324 217 1HD ARG 29 1HD ARG 29 -9.172 5.690 -7.461 218 2HD ARG 29 2HD ARG 29 -9.336 7.358 -6.936 219 HE ARG 29 HE ARG 29 -6.965 6.139 -7.933 220 1HH1 ARG 29 1HH1 ARG 29 -4.928 7.020 -7.588 221 2HH1 ARG 29 2HH1 ARG 29 -4.682 8.109 -6.264 222 1HH2 ARG 29 1HH2 ARG 29 -7.971 7.993 -5.206 223 2HH2 ARG 29 2HH2 ARG 29 -6.402 8.659 -4.918 224 H GLU 30 H GLU 30 -10.015 3.589 -3.733 225 HA GLU 30 HA GLU 30 -12.423 3.021 -5.151 226 1HB GLU 30 1HB GLU 30 -10.621 1.221 -3.510 227 2HB GLU 30 2HB GLU 30 -11.967 0.620 -4.477 228 1HG GLU 30 1HG GLU 30 -9.743 2.327 -5.614 229 2HG GLU 30 2HG GLU 30 -9.724 0.564 -5.646 230 H LEU 31 H LEU 31 -11.681 2.732 -1.666 231 HA LEU 31 HA LEU 31 -14.197 1.612 -0.906 232 1HB LEU 31 1HB LEU 31 -12.664 3.587 0.800 233 2HB LEU 31 2HB LEU 31 -13.632 2.208 1.325 234 HG LEU 31 HG LEU 31 -10.960 2.166 -0.076 235 1HD1 LEU 31 1HD1 LEU 31 -11.012 2.472 2.404 236 2HD1 LEU 31 2HD1 LEU 31 -11.888 0.948 2.541 237 3HD1 LEU 31 3HD1 LEU 31 -10.238 0.964 1.919 238 1HD2 LEU 31 1HD2 LEU 31 -12.987 -0.038 0.362 239 2HD2 LEU 31 2HD2 LEU 31 -12.160 0.400 -1.133 240 3HD2 LEU 31 3HD2 LEU 31 -11.269 -0.390 0.167 241 H ASP 32 H ASP 32 -13.077 4.972 -1.040 242 HA ASP 32 HA ASP 32 -15.528 6.213 -0.300 243 1HB ASP 32 1HB ASP 32 -13.353 7.388 -0.410 244 2HB ASP 32 2HB ASP 32 -13.344 7.202 -2.162 245 H LYS 33 H LYS 33 -14.239 5.155 -3.424 246 HA LYS 33 HA LYS 33 -16.283 6.205 -5.106 247 1HB LYS 33 1HB LYS 33 -14.158 5.228 -5.936 248 2HB LYS 33 2HB LYS 33 -14.691 3.636 -5.404 249 1HG LYS 33 1HG LYS 33 -16.617 3.761 -6.943 250 2HG LYS 33 2HG LYS 33 -16.078 5.356 -7.479 251 1HD LYS 33 1HD LYS 33 -13.947 4.381 -8.248 252 2HD LYS 33 2HD LYS 33 -14.484 2.789 -7.715 253 1HE LYS 33 1HE LYS 33 -15.866 4.489 -9.807 254 2HE LYS 33 2HE LYS 33 -14.841 3.094 -10.138 255 1HZ LYS 33 1HZ LYS 33 -16.605 2.147 -8.318 256 2HZ LYS 33 2HZ LYS 33 -17.569 3.188 -9.248 257 3HZ LYS 33 3HZ LYS 33 -16.715 1.925 -9.999 258 H TYR 34 H TYR 34 -15.988 2.992 -3.555 259 HA TYR 34 HA TYR 34 -18.595 2.122 -4.436 260 1HB TYR 34 1HB TYR 34 -16.742 1.110 -2.265 261 2HB TYR 34 2HB TYR 34 -18.268 0.326 -2.671 262 HD1 TYR 34 HD1 TYR 34 -18.613 -0.015 -5.333 263 HD2 TYR 34 HD2 TYR 34 -14.817 0.288 -3.332 264 HE1 TYR 34 HE1 TYR 34 -17.518 -1.178 -7.226 265 HE2 TYR 34 HE2 TYR 34 -13.729 -0.876 -5.230 266 HH TYR 34 HH TYR 34 -15.257 -1.349 -8.219 267 H GLY 35 H GLY 35 -17.412 3.891 -1.647 268 1HA GLY 35 1HA GLY 35 -20.239 4.381 -0.840 269 2HA GLY 35 2HA GLY 35 -18.853 5.368 -0.384 270 H VAL 36 H VAL 36 -17.303 2.854 0.299 271 HA VAL 36 HA VAL 36 -18.735 1.542 2.443 272 HB VAL 36 HB VAL 36 -15.722 1.735 2.303 273 1HG1 VAL 36 1HG1 VAL 36 -16.799 0.511 4.177 274 2HG1 VAL 36 2HG1 VAL 36 -17.628 -0.517 3.008 275 3HG1 VAL 36 3HG1 VAL 36 -15.869 -0.567 3.135 276 1HG2 VAL 36 1HG2 VAL 36 -17.594 0.177 0.504 277 2HG2 VAL 36 2HG2 VAL 36 -16.321 1.299 0.024 278 3HG2 VAL 36 3HG2 VAL 36 -15.899 -0.261 0.728 279 H SER 37 H SER 37 -18.036 1.745 4.780 280 HA SER 37 HA SER 37 -18.294 4.427 5.689 281 1HB SER 37 1HB SER 37 -17.873 3.554 7.897 282 2HB SER 37 2HB SER 37 -18.786 2.331 7.017 283 HG SER 37 HG SER 37 -16.026 2.221 6.782 284 H ASP 38 H ASP 38 -16.674 5.706 6.888 285 HA ASP 38 HA ASP 38 -14.145 5.815 5.449 286 1HB ASP 38 1HB ASP 38 -13.659 7.731 6.943 287 2HB ASP 38 2HB ASP 38 -15.257 7.876 6.208 288 H TYR 39 H TYR 39 -15.204 3.930 7.993 289 HA TYR 39 HA TYR 39 -12.926 3.972 9.738 290 1HB TYR 39 1HB TYR 39 -14.973 2.969 10.509 291 2HB TYR 39 2HB TYR 39 -15.007 1.851 9.145 292 HD1 TYR 39 HD1 TYR 39 -13.476 -0.042 9.025 293 HD2 TYR 39 HD2 TYR 39 -13.463 2.612 12.399 294 HE1 TYR 39 HE1 TYR 39 -12.144 -1.684 10.305 295 HE2 TYR 39 HE2 TYR 39 -12.128 0.967 13.688 296 HH TYR 39 HH TYR 39 -11.798 -1.608 13.591 297 H TYR 40 H TYR 40 -13.693 2.013 6.868 298 HA TYR 40 HA TYR 40 -11.417 0.283 7.041 299 1HB TYR 40 1HB TYR 40 -13.065 1.140 4.647 300 2HB TYR 40 2HB TYR 40 -11.874 -0.159 4.622 301 HD1 TYR 40 HD1 TYR 40 -15.164 0.909 5.851 302 HD2 TYR 40 HD2 TYR 40 -12.270 -2.266 5.819 303 HE1 TYR 40 HE1 TYR 40 -16.873 -0.655 6.725 304 HE2 TYR 40 HE2 TYR 40 -13.982 -3.833 6.697 305 HH TYR 40 HH TYR 40 -16.754 -2.911 8.128 306 H LYS 41 H LYS 41 -11.831 3.438 5.398 307 HA LYS 41 HA LYS 41 -9.413 3.314 3.922 308 1HB LYS 41 1HB LYS 41 -9.689 5.604 3.472 309 2HB LYS 41 2HB LYS 41 -11.332 5.047 3.757 310 1HG LYS 41 1HG LYS 41 -11.421 6.856 5.173 311 2HG LYS 41 2HG LYS 41 -10.649 5.757 6.298 312 1HD LYS 41 1HD LYS 41 -9.205 7.583 6.425 313 2HD LYS 41 2HD LYS 41 -8.415 6.626 5.173 314 1HE LYS 41 1HE LYS 41 -9.695 7.954 3.454 315 2HE LYS 41 2HE LYS 41 -10.276 8.984 4.761 316 1HZ LYS 41 1HZ LYS 41 -7.436 8.590 4.820 317 2HZ LYS 41 2HZ LYS 41 -7.964 9.331 3.384 318 3HZ LYS 41 3HZ LYS 41 -8.332 10.032 4.884 319 H ASN 42 H ASN 42 -10.044 4.127 7.282 320 HA ASN 42 HA ASN 42 -7.419 5.186 7.796 321 1HB ASN 42 1HB ASN 42 -9.522 3.994 9.621 322 2HB ASN 42 2HB ASN 42 -8.011 4.685 10.213 323 2HD2 ASN 42 2HD2 ASN 42 -7.783 6.909 8.431 324 1HD2 ASN 42 1HD2 ASN 42 -9.057 7.985 8.748 325 H LEU 43 H LEU 43 -8.897 1.991 8.033 326 HA LEU 43 HA LEU 43 -6.725 0.635 9.255 327 1HB LEU 43 1HB LEU 43 -8.975 -0.343 9.015 328 2HB LEU 43 2HB LEU 43 -8.768 -0.404 7.267 329 HG LEU 43 HG LEU 43 -6.892 -1.966 7.523 330 1HD1 LEU 43 1HD1 LEU 43 -7.372 -1.430 10.454 331 2HD1 LEU 43 2HD1 LEU 43 -6.686 -2.973 9.943 332 3HD1 LEU 43 3HD1 LEU 43 -5.846 -1.471 9.571 333 1HD2 LEU 43 1HD2 LEU 43 -9.308 -2.739 7.448 334 2HD2 LEU 43 2HD2 LEU 43 -8.193 -3.884 8.193 335 3HD2 LEU 43 3HD2 LEU 43 -9.239 -2.887 9.203 336 H ILE 44 H ILE 44 -7.400 1.350 5.833 337 HA ILE 44 HA ILE 44 -5.241 -0.156 4.708 338 HB ILE 44 HB ILE 44 -6.398 2.486 3.751 339 1HG1 ILE 44 1HG1 ILE 44 -8.180 0.844 3.940 340 2HG1 ILE 44 2HG1 ILE 44 -7.776 1.036 2.238 341 1HG2 ILE 44 1HG2 ILE 44 -4.769 0.342 2.367 342 2HG2 ILE 44 2HG2 ILE 44 -5.604 1.641 1.516 343 3HG2 ILE 44 3HG2 ILE 44 -4.305 2.020 2.646 344 1HD1 ILE 44 1HD1 ILE 44 -6.176 -0.988 2.634 345 2HD1 ILE 44 2HD1 ILE 44 -7.147 -1.255 4.080 346 3HD1 ILE 44 3HD1 ILE 44 -7.905 -1.292 2.492 347 H ASN 45 H ASN 45 -5.430 3.125 6.008 348 HA ASN 45 HA ASN 45 -2.735 3.861 5.337 349 1HB ASN 45 1HB ASN 45 -4.670 4.889 7.432 350 2HB ASN 45 2HB ASN 45 -3.092 5.619 7.132 351 2HD2 ASN 45 2HD2 ASN 45 -5.582 7.026 6.660 352 1HD2 ASN 45 1HD2 ASN 45 -5.704 7.311 4.991 353 H ASN 46 H ASN 46 -4.082 1.826 7.769 354 HA ASN 46 HA ASN 46 -1.736 2.049 9.550 355 1HB ASN 46 1HB ASN 46 -3.957 1.686 10.540 356 2HB ASN 46 2HB ASN 46 -4.131 0.188 9.624 357 2HD2 ASN 46 2HD2 ASN 46 -1.509 1.626 11.664 358 1HD2 ASN 46 1HD2 ASN 46 -1.250 0.217 12.573 359 H ALA 47 H ALA 47 -2.511 0.387 6.708 360 HA ALA 47 HA ALA 47 -1.378 -2.182 7.156 361 1HB ALA 47 1HB ALA 47 -2.658 -1.351 5.098 362 2HB ALA 47 2HB ALA 47 -1.268 -2.389 4.784 363 3HB ALA 47 3HB ALA 47 -1.133 -0.646 4.566 364 H LYS 48 H LYS 48 0.685 -2.787 7.538 365 HA LYS 48 HA LYS 48 2.836 -0.769 7.400 366 1HB LYS 48 1HB LYS 48 2.449 -2.446 9.333 367 2HB LYS 48 2HB LYS 48 3.128 -3.655 8.249 368 1HG LYS 48 1HG LYS 48 5.033 -2.939 9.403 369 2HG LYS 48 2HG LYS 48 5.088 -1.923 7.963 370 1HD LYS 48 1HD LYS 48 4.103 -0.057 9.181 371 2HD LYS 48 2HD LYS 48 3.839 -1.073 10.598 372 1HE LYS 48 1HE LYS 48 6.216 -1.332 10.937 373 2HE LYS 48 2HE LYS 48 6.571 -0.528 9.409 374 1HZ LYS 48 1HZ LYS 48 4.993 0.867 11.465 375 2HZ LYS 48 2HZ LYS 48 6.686 0.801 11.604 376 3HZ LYS 48 3HZ LYS 48 5.969 1.515 10.239 377 H THR 49 H THR 49 1.629 -3.422 5.543 378 HA THR 49 HA THR 49 3.931 -3.124 3.662 379 HB THR 49 HB THR 49 4.373 -5.136 5.019 380 HG1 THR 49 HG1 THR 49 3.887 -6.624 3.012 381 1HG2 THR 49 1HG2 THR 49 1.991 -5.575 5.614 382 2HG2 THR 49 2HG2 THR 49 1.713 -6.130 3.964 383 3HG2 THR 49 3HG2 THR 49 2.822 -7.010 5.015 384 H VAL 50 H VAL 50 3.377 -3.510 1.481 385 HA VAL 50 HA VAL 50 0.606 -2.976 0.821 386 HB VAL 50 HB VAL 50 2.430 -2.074 -0.526 387 1HG1 VAL 50 1HG1 VAL 50 3.977 -4.010 -0.256 388 2HG1 VAL 50 2HG1 VAL 50 2.943 -4.955 -1.326 389 3HG1 VAL 50 3HG1 VAL 50 3.788 -3.537 -1.944 390 1HG2 VAL 50 1HG2 VAL 50 0.171 -2.589 -1.524 391 2HG2 VAL 50 2HG2 VAL 50 1.487 -2.554 -2.697 392 3HG2 VAL 50 3HG2 VAL 50 0.851 -4.099 -2.133 393 H GLU 51 H GLU 51 2.522 -5.867 1.093 394 HA GLU 51 HA GLU 51 1.056 -7.580 -0.634 395 1HB GLU 51 1HB GLU 51 2.449 -8.129 2.005 396 2HB GLU 51 2HB GLU 51 1.804 -9.398 0.963 397 1HG GLU 51 1HG GLU 51 3.238 -8.637 -0.882 398 2HG GLU 51 2HG GLU 51 3.873 -7.342 0.133 399 H GLY 52 H GLY 52 0.481 -6.557 2.703 400 1HA GLY 52 1HA GLY 52 -1.383 -6.908 4.101 401 2HA GLY 52 2HA GLY 52 -1.911 -8.184 3.004 402 H VAL 53 H VAL 53 -1.190 -4.935 1.831 403 HA VAL 53 HA VAL 53 -3.796 -3.818 2.086 404 HB VAL 53 HB VAL 53 -1.596 -3.304 0.071 405 1HG1 VAL 53 1HG1 VAL 53 -4.242 -1.900 0.511 406 2HG1 VAL 53 2HG1 VAL 53 -2.872 -1.118 -0.276 407 3HG1 VAL 53 3HG1 VAL 53 -3.604 -2.550 -0.999 408 1HG2 VAL 53 1HG2 VAL 53 -2.560 -1.816 2.535 409 2HG2 VAL 53 2HG2 VAL 53 -1.078 -2.764 2.419 410 3HG2 VAL 53 3HG2 VAL 53 -1.256 -1.287 1.471 411 H LYS 54 H LYS 54 -2.367 -5.550 -0.735 412 HA LYS 54 HA LYS 54 -4.815 -5.419 -2.249 413 1HB LYS 54 1HB LYS 54 -3.776 -6.963 -3.780 414 2HB LYS 54 2HB LYS 54 -2.527 -5.853 -3.220 415 1HG LYS 54 1HG LYS 54 -1.925 -7.574 -1.464 416 2HG LYS 54 2HG LYS 54 -3.011 -8.692 -2.287 417 1HD LYS 54 1HD LYS 54 -1.699 -8.255 -4.407 418 2HD LYS 54 2HD LYS 54 -0.527 -7.382 -3.418 419 1HE LYS 54 1HE LYS 54 0.160 -9.735 -3.750 420 2HE LYS 54 2HE LYS 54 -0.164 -9.396 -2.050 421 1HZ LYS 54 1HZ LYS 54 -2.257 -10.473 -3.835 422 2HZ LYS 54 2HZ LYS 54 -1.159 -11.498 -3.039 423 3HZ LYS 54 3HZ LYS 54 -2.197 -10.496 -2.140 424 H ALA 55 H ALA 55 -3.504 -7.803 0.011 425 HA ALA 55 HA ALA 55 -5.512 -9.810 -0.502 426 1HB ALA 55 1HB ALA 55 -3.897 -9.341 2.023 427 2HB ALA 55 2HB ALA 55 -4.726 -10.832 1.577 428 3HB ALA 55 3HB ALA 55 -3.344 -10.276 0.634 429 H LEU 56 H LEU 56 -5.276 -7.131 1.809 430 HA LEU 56 HA LEU 56 -7.577 -7.757 3.361 431 1HB LEU 56 1HB LEU 56 -5.780 -5.967 3.812 432 2HB LEU 56 2HB LEU 56 -6.658 -4.954 2.669 433 HG LEU 56 HG LEU 56 -8.743 -5.551 4.168 434 1HD1 LEU 56 1HD1 LEU 56 -7.219 -7.185 5.523 435 2HD1 LEU 56 2HD1 LEU 56 -6.633 -5.725 6.315 436 3HD1 LEU 56 3HD1 LEU 56 -8.341 -6.152 6.403 437 1HD2 LEU 56 1HD2 LEU 56 -6.550 -3.559 4.716 438 2HD2 LEU 56 2HD2 LEU 56 -8.174 -3.297 4.077 439 3HD2 LEU 56 3HD2 LEU 56 -7.947 -3.638 5.789 440 H ILE 57 H ILE 57 -7.213 -5.609 0.538 441 HA ILE 57 HA ILE 57 -9.990 -4.962 0.286 442 HB ILE 57 HB ILE 57 -7.872 -5.141 -1.874 443 1HG1 ILE 57 1HG1 ILE 57 -7.165 -3.595 -0.123 444 2HG1 ILE 57 2HG1 ILE 57 -7.681 -2.667 -1.524 445 1HG2 ILE 57 1HG2 ILE 57 -10.563 -3.767 -1.796 446 2HG2 ILE 57 2HG2 ILE 57 -9.341 -3.476 -3.034 447 3HG2 ILE 57 3HG2 ILE 57 -10.058 -5.074 -2.863 448 1HD1 ILE 57 1HD1 ILE 57 -10.019 -2.657 -0.290 449 2HD1 ILE 57 2HD1 ILE 57 -9.039 -3.002 1.134 450 3HD1 ILE 57 3HD1 ILE 57 -8.757 -1.532 0.206 451 H ASP 58 H ASP 58 -8.013 -7.617 -0.978 452 HA ASP 58 HA ASP 58 -9.949 -8.682 -2.782 453 1HB ASP 58 1HB ASP 58 -7.785 -10.035 -1.147 454 2HB ASP 58 2HB ASP 58 -8.740 -10.874 -2.370 455 H GLU 59 H GLU 59 -9.482 -9.187 0.700 456 HA GLU 59 HA GLU 59 -11.587 -11.156 0.924 457 1HB GLU 59 1HB GLU 59 -10.218 -9.380 2.963 458 2HB GLU 59 2HB GLU 59 -11.435 -10.585 3.389 459 1HG GLU 59 1HG GLU 59 -10.059 -12.350 2.352 460 2HG GLU 59 2HG GLU 59 -8.838 -11.152 1.925 461 H ILE 60 H ILE 60 -11.384 -7.642 1.319 462 HA ILE 60 HA ILE 60 -14.085 -7.321 2.235 463 HB ILE 60 HB ILE 60 -12.228 -5.352 0.873 464 1HG1 ILE 60 1HG1 ILE 60 -12.918 -5.646 3.809 465 2HG1 ILE 60 2HG1 ILE 60 -11.508 -6.411 3.079 466 1HG2 ILE 60 1HG2 ILE 60 -14.884 -5.035 2.286 467 2HG2 ILE 60 2HG2 ILE 60 -13.755 -3.695 2.099 468 3HG2 ILE 60 3HG2 ILE 60 -14.438 -4.477 0.674 469 1HD1 ILE 60 1HD1 ILE 60 -12.042 -3.446 2.828 470 2HD1 ILE 60 2HD1 ILE 60 -11.112 -4.127 4.163 471 3HD1 ILE 60 3HD1 ILE 60 -10.537 -4.310 2.506 472 H LEU 61 H LEU 61 -12.602 -7.041 -1.012 473 HA LEU 61 HA LEU 61 -15.103 -6.349 -2.290 474 1HB LEU 61 1HB LEU 61 -12.502 -7.447 -3.395 475 2HB LEU 61 2HB LEU 61 -13.878 -7.037 -4.415 476 HG LEU 61 HG LEU 61 -12.423 -5.117 -2.563 477 1HD1 LEU 61 1HD1 LEU 61 -11.224 -5.949 -4.676 478 2HD1 LEU 61 2HD1 LEU 61 -12.486 -5.126 -5.590 479 3HD1 LEU 61 3HD1 LEU 61 -11.423 -4.201 -4.533 480 1HD2 LEU 61 1HD2 LEU 61 -14.887 -4.889 -4.281 481 2HD2 LEU 61 2HD2 LEU 61 -14.544 -4.157 -2.714 482 3HD2 LEU 61 3HD2 LEU 61 -13.818 -3.492 -4.173 483 H ALA 62 H ALA 62 -13.530 -9.386 -1.488 484 HA ALA 62 HA ALA 62 -15.380 -10.967 -3.120 485 1HB ALA 62 1HB ALA 62 -13.551 -11.894 -0.887 486 2HB ALA 62 2HB ALA 62 -13.044 -11.714 -2.566 487 3HB ALA 62 3HB ALA 62 -14.282 -12.896 -2.139 488 H ALA 63 H ALA 63 -16.319 -9.098 -0.843 489 HA ALA 63 HA ALA 63 -18.232 -11.060 0.306 490 1HB ALA 63 1HB ALA 63 -16.718 -9.124 2.076 491 2HB ALA 63 2HB ALA 63 -17.830 -10.396 2.581 492 3HB ALA 63 3HB ALA 63 -16.265 -10.819 1.888 493 H LEU 64 H LEU 64 -17.333 -7.759 -0.461 494 HA LEU 64 HA LEU 64 -19.422 -6.312 0.684 495 1HB LEU 64 1HB LEU 64 -17.609 -5.987 -1.589 496 2HB LEU 64 2HB LEU 64 -19.155 -5.206 -1.901 497 HG LEU 64 HG LEU 64 -17.675 -4.768 0.704 498 1HD1 LEU 64 1HD1 LEU 64 -17.330 -3.349 -1.947 499 2HD1 LEU 64 2HD1 LEU 64 -16.882 -2.616 -0.408 500 3HD1 LEU 64 3HD1 LEU 64 -16.081 -4.090 -0.949 501 1HD2 LEU 64 1HD2 LEU 64 -19.705 -3.139 -0.867 502 2HD2 LEU 64 2HD2 LEU 64 -20.051 -4.085 0.580 503 3HD2 LEU 64 3HD2 LEU 64 -19.000 -2.673 0.681 504 HA PRO 65 HA PRO 65 -22.834 -8.673 -1.297 505 1HB PRO 65 1HB PRO 65 -24.555 -6.470 -0.324 506 2HB PRO 65 2HB PRO 65 -24.638 -8.199 0.038 507 1HG PRO 65 1HG PRO 65 -23.760 -6.252 1.817 508 2HG PRO 65 2HG PRO 65 -23.385 -7.976 1.941 509 1HD PRO 65 1HD PRO 65 -21.597 -5.747 1.208 510 2HD PRO 65 2HD PRO 65 -21.178 -7.413 1.685 No H/Q in entry = 510 Start of MODEL 25 1 H1 MET 1 H1 MET 1 21.143 -11.864 -12.239 2 H2 MET 1 H2 MET 1 20.848 -10.809 -13.539 3 H3 MET 1 H3 MET 1 19.828 -12.138 -13.279 4 HA MET 1 HA MET 1 21.455 -13.682 -13.937 5 1HB MET 1 1HB MET 1 21.492 -11.208 -15.687 6 2HB MET 1 2HB MET 1 22.156 -12.762 -16.187 7 1HG MET 1 1HG MET 1 19.915 -12.663 -17.044 8 2HG MET 1 2HG MET 1 19.889 -13.778 -15.679 9 1HE MET 1 1HE MET 1 19.692 -10.253 -16.822 10 2HE MET 1 2HE MET 1 18.017 -10.666 -17.176 11 3HE MET 1 3HE MET 1 18.392 -9.479 -15.920 12 H LYS 2 H LYS 2 22.696 -10.620 -12.938 13 HA LYS 2 HA LYS 2 25.366 -11.799 -12.555 14 1HB LYS 2 1HB LYS 2 26.520 -9.960 -13.739 15 2HB LYS 2 2HB LYS 2 25.511 -10.896 -14.838 16 1HG LYS 2 1HG LYS 2 23.727 -9.202 -14.667 17 2HG LYS 2 2HG LYS 2 24.709 -8.270 -13.541 18 1HD LYS 2 1HD LYS 2 25.125 -7.207 -15.593 19 2HD LYS 2 2HD LYS 2 26.508 -8.284 -15.419 20 1HE LYS 2 1HE LYS 2 25.515 -9.905 -16.922 21 2HE LYS 2 2HE LYS 2 24.000 -9.005 -16.967 22 1HZ LYS 2 1HZ LYS 2 25.663 -7.111 -17.725 23 2HZ LYS 2 2HZ LYS 2 26.535 -8.455 -18.291 24 3HZ LYS 2 3HZ LYS 2 24.945 -8.182 -18.826 25 H ALA 3 H ALA 3 26.798 -10.066 -11.407 26 HA ALA 3 HA ALA 3 25.593 -9.275 -9.010 27 1HB ALA 3 1HB ALA 3 27.511 -7.758 -8.701 28 2HB ALA 3 2HB ALA 3 27.901 -7.895 -10.416 29 3HB ALA 3 3HB ALA 3 28.039 -9.305 -9.365 30 H ILE 4 H ILE 4 24.647 -7.349 -8.275 31 HA ILE 4 HA ILE 4 23.429 -5.673 -10.398 32 HB ILE 4 HB ILE 4 22.008 -4.843 -8.511 33 1HG1 ILE 4 1HG1 ILE 4 23.476 -6.964 -6.912 34 2HG1 ILE 4 2HG1 ILE 4 23.755 -5.232 -6.738 35 1HG2 ILE 4 1HG2 ILE 4 21.413 -6.839 -9.911 36 2HG2 ILE 4 2HG2 ILE 4 22.172 -7.867 -8.694 37 3HG2 ILE 4 3HG2 ILE 4 20.747 -6.913 -8.280 38 1HD1 ILE 4 1HD1 ILE 4 21.055 -6.565 -6.365 39 2HD1 ILE 4 2HD1 ILE 4 22.149 -6.152 -5.045 40 3HD1 ILE 4 3HD1 ILE 4 21.454 -4.877 -6.045 41 H PHE 5 H PHE 5 23.001 -3.305 -9.031 42 HA PHE 5 HA PHE 5 25.436 -1.905 -9.464 43 1HB PHE 5 1HB PHE 5 23.227 -0.803 -9.486 44 2HB PHE 5 2HB PHE 5 23.066 -1.090 -7.752 45 HD1 PHE 5 HD1 PHE 5 24.421 0.142 -6.134 46 HD2 PHE 5 HD2 PHE 5 24.819 0.838 -10.354 47 HE1 PHE 5 HE1 PHE 5 25.695 2.218 -5.672 48 HE2 PHE 5 HE2 PHE 5 26.092 2.916 -9.892 49 HZ PHE 5 HZ PHE 5 26.530 3.606 -7.550 50 H VAL 6 H VAL 6 23.931 -3.001 -6.406 51 HA VAL 6 HA VAL 6 26.414 -2.236 -4.950 52 HB VAL 6 HB VAL 6 24.092 -1.666 -4.078 53 1HG1 VAL 6 1HG1 VAL 6 23.202 -3.976 -4.764 54 2HG1 VAL 6 2HG1 VAL 6 23.938 -4.574 -3.278 55 3HG1 VAL 6 3HG1 VAL 6 22.679 -3.347 -3.203 56 1HG2 VAL 6 1HG2 VAL 6 26.415 -2.462 -2.661 57 2HG2 VAL 6 2HG2 VAL 6 25.057 -1.549 -2.011 58 3HG2 VAL 6 3HG2 VAL 6 25.098 -3.301 -1.850 59 H LEU 7 H LEU 7 26.050 -4.358 -2.928 60 HA LEU 7 HA LEU 7 27.740 -6.340 -4.002 61 1HB LEU 7 1HB LEU 7 27.336 -5.975 -1.560 62 2HB LEU 7 2HB LEU 7 25.744 -6.705 -1.747 63 HG LEU 7 HG LEU 7 26.834 -8.793 -2.580 64 1HD1 LEU 7 1HD1 LEU 7 29.298 -7.120 -2.141 65 2HD1 LEU 7 2HD1 LEU 7 29.392 -8.862 -1.885 66 3HD1 LEU 7 3HD1 LEU 7 28.922 -8.231 -3.459 67 1HD2 LEU 7 1HD2 LEU 7 27.528 -7.689 0.148 68 2HD2 LEU 7 2HD2 LEU 7 26.259 -8.837 -0.280 69 3HD2 LEU 7 3HD2 LEU 7 27.948 -9.341 -0.307 70 H ASN 8 H ASN 8 27.324 -8.442 -4.815 71 HA ASN 8 HA ASN 8 24.971 -8.688 -6.460 72 1HB ASN 8 1HB ASN 8 25.870 -10.970 -6.945 73 2HB ASN 8 2HB ASN 8 27.066 -9.692 -7.164 74 2HD2 ASN 8 2HD2 ASN 8 26.409 -10.157 -3.851 75 1HD2 ASN 8 1HD2 ASN 8 27.737 -11.148 -3.483 76 H ALA 9 H ALA 9 24.692 -8.636 -3.381 77 HA ALA 9 HA ALA 9 23.809 -11.147 -2.435 78 1HB ALA 9 1HB ALA 9 22.532 -8.479 -1.775 79 2HB ALA 9 2HB ALA 9 24.049 -9.037 -1.069 80 3HB ALA 9 3HB ALA 9 22.555 -9.926 -0.768 81 H GLN 10 H GLN 10 21.862 -12.263 -2.629 82 HA GLN 10 HA GLN 10 20.290 -11.793 -4.988 83 1HB GLN 10 1HB GLN 10 18.821 -13.603 -4.062 84 2HB GLN 10 2HB GLN 10 20.525 -14.047 -4.126 85 1HG GLN 10 1HG GLN 10 19.791 -14.744 -1.974 86 2HG GLN 10 2HG GLN 10 20.662 -13.241 -1.687 87 2HE2 GLN 10 2HE2 GLN 10 19.460 -12.508 0.146 88 1HE2 GLN 10 1HE2 GLN 10 17.807 -12.131 0.077 89 H HIS 11 H HIS 11 19.969 -10.752 -1.665 90 HA HIS 11 HA HIS 11 17.187 -10.169 -1.616 91 1HB HIS 11 1HB HIS 11 18.627 -10.065 0.391 92 2HB HIS 11 2HB HIS 11 19.452 -8.656 -0.277 93 HD1 HIS 11 HD1 HIS 11 15.848 -9.682 0.478 94 HD2 HIS 11 HD2 HIS 11 18.284 -6.300 0.559 95 HE1 HIS 11 HE1 HIS 11 14.421 -7.793 1.379 96 H ASP 12 H ASP 12 15.992 -8.504 -2.475 97 HA ASP 12 HA ASP 12 17.374 -6.135 -3.615 98 1HB ASP 12 1HB ASP 12 17.232 -7.830 -5.449 99 2HB ASP 12 2HB ASP 12 15.480 -7.862 -5.242 100 H GLU 13 H GLU 13 16.098 -4.304 -3.451 101 HA GLU 13 HA GLU 13 13.192 -4.639 -2.842 102 1HB GLU 13 1HB GLU 13 14.397 -4.481 -0.680 103 2HB GLU 13 2HB GLU 13 15.118 -2.959 -1.202 104 1HG GLU 13 1HG GLU 13 12.887 -1.944 -1.392 105 2HG GLU 13 2HG GLU 13 12.140 -3.471 -0.918 106 H ALA 14 H ALA 14 11.989 -3.172 -3.929 107 HA ALA 14 HA ALA 14 13.316 -1.220 -5.651 108 1HB ALA 14 1HB ALA 14 10.397 -1.847 -5.120 109 2HB ALA 14 2HB ALA 14 10.940 -0.644 -6.290 110 3HB ALA 14 3HB ALA 14 11.353 -2.345 -6.515 111 H VAL 15 H VAL 15 11.400 0.904 -5.493 112 HA VAL 15 HA VAL 15 12.386 2.225 -3.037 113 HB VAL 15 HB VAL 15 10.639 3.354 -5.240 114 1HG1 VAL 15 1HG1 VAL 15 12.344 4.568 -3.049 115 2HG1 VAL 15 2HG1 VAL 15 11.719 5.498 -4.411 116 3HG1 VAL 15 3HG1 VAL 15 10.604 4.740 -3.275 117 1HG2 VAL 15 1HG2 VAL 15 13.659 3.251 -4.961 118 2HG2 VAL 15 2HG2 VAL 15 12.691 2.532 -6.248 119 3HG2 VAL 15 3HG2 VAL 15 12.811 4.285 -6.111 120 H ASP 16 H ASP 16 11.187 1.872 -1.232 121 HA ASP 16 HA ASP 16 8.269 1.377 -1.457 122 1HB ASP 16 1HB ASP 16 9.740 -0.060 -0.011 123 2HB ASP 16 2HB ASP 16 10.038 1.351 1.004 124 H ALA 17 H ALA 17 10.293 4.014 -1.094 125 HA ALA 17 HA ALA 17 9.005 5.527 0.947 126 1HB ALA 17 1HB ALA 17 11.174 6.164 -0.027 127 2HB ALA 17 2HB ALA 17 10.387 6.502 -1.569 128 3HB ALA 17 3HB ALA 17 10.019 7.490 -0.155 129 H ASN 18 H ASN 18 8.507 5.687 -2.609 130 HA ASN 18 HA ASN 18 5.932 7.117 -2.115 131 1HB ASN 18 1HB ASN 18 7.650 8.044 -3.718 132 2HB ASN 18 2HB ASN 18 7.340 6.648 -4.751 133 2HD2 ASN 18 2HD2 ASN 18 5.848 7.126 -6.359 134 1HD2 ASN 18 1HD2 ASN 18 4.541 8.196 -6.197 135 H SER 19 H SER 19 7.169 4.042 -3.223 136 HA SER 19 HA SER 19 4.861 3.265 -4.749 137 1HB SER 19 1HB SER 19 7.078 2.114 -4.854 138 2HB SER 19 2HB SER 19 6.776 1.466 -3.245 139 HG SER 19 HG SER 19 4.631 0.887 -4.488 140 H LEU 20 H LEU 20 5.727 2.761 -1.318 141 HA LEU 20 HA LEU 20 3.491 1.135 -0.661 142 1HB LEU 20 1HB LEU 20 5.413 1.461 0.858 143 2HB LEU 20 2HB LEU 20 4.947 3.144 1.089 144 HG LEU 20 HG LEU 20 2.785 2.407 2.059 145 1HD1 LEU 20 1HD1 LEU 20 3.901 -0.300 1.345 146 2HD1 LEU 20 2HD1 LEU 20 2.818 -0.144 2.728 147 3HD1 LEU 20 3HD1 LEU 20 2.267 0.322 1.123 148 1HD2 LEU 20 1HD2 LEU 20 5.327 1.276 3.258 149 2HD2 LEU 20 2HD2 LEU 20 4.560 2.822 3.625 150 3HD2 LEU 20 3HD2 LEU 20 3.793 1.315 4.128 151 H ALA 21 H ALA 21 3.869 4.684 -0.509 152 HA ALA 21 HA ALA 21 1.271 5.257 0.471 153 1HB ALA 21 1HB ALA 21 3.014 6.931 -1.358 154 2HB ALA 21 2HB ALA 21 3.088 6.924 0.403 155 3HB ALA 21 3HB ALA 21 1.647 7.528 -0.416 156 H GLU 22 H GLU 22 2.456 4.935 -2.877 157 HA GLU 22 HA GLU 22 0.009 5.687 -4.144 158 1HB GLU 22 1HB GLU 22 2.244 5.412 -5.290 159 2HB GLU 22 2HB GLU 22 2.016 3.667 -5.176 160 1HG GLU 22 1HG GLU 22 1.258 4.366 -7.362 161 2HG GLU 22 2HG GLU 22 -0.161 3.943 -6.407 162 H ALA 23 H ALA 23 1.197 2.547 -2.981 163 HA ALA 23 HA ALA 23 -0.901 0.954 -4.048 164 1HB ALA 23 1HB ALA 23 0.446 0.494 -1.375 165 2HB ALA 23 2HB ALA 23 1.232 0.144 -2.913 166 3HB ALA 23 3HB ALA 23 -0.238 -0.718 -2.457 167 H LYS 24 H LYS 24 -0.654 2.657 -0.911 168 HA LYS 24 HA LYS 24 -3.275 1.825 -0.029 169 1HB LYS 24 1HB LYS 24 -1.477 4.114 0.804 170 2HB LYS 24 2HB LYS 24 -3.008 3.749 1.600 171 1HG LYS 24 1HG LYS 24 -2.193 1.448 2.065 172 2HG LYS 24 2HG LYS 24 -0.641 1.869 1.341 173 1HD LYS 24 1HD LYS 24 -1.875 3.322 3.696 174 2HD LYS 24 2HD LYS 24 -0.657 2.059 3.847 175 1HE LYS 24 1HE LYS 24 0.684 3.965 3.873 176 2HE LYS 24 2HE LYS 24 0.688 3.601 2.148 177 1HZ LYS 24 1HZ LYS 24 -1.583 5.130 2.713 178 2HZ LYS 24 2HZ LYS 24 -0.256 5.899 3.444 179 3HZ LYS 24 3HZ LYS 24 -0.235 5.563 1.778 180 H VAL 25 H VAL 25 -2.054 4.712 -1.742 181 HA VAL 25 HA VAL 25 -4.509 6.170 -1.717 182 HB VAL 25 HB VAL 25 -2.215 6.172 -3.691 183 1HG1 VAL 25 1HG1 VAL 25 -4.681 7.921 -3.550 184 2HG1 VAL 25 2HG1 VAL 25 -3.214 8.399 -4.404 185 3HG1 VAL 25 3HG1 VAL 25 -4.114 6.975 -4.926 186 1HG2 VAL 25 1HG2 VAL 25 -1.894 6.975 -1.291 187 2HG2 VAL 25 2HG2 VAL 25 -1.514 8.155 -2.546 188 3HG2 VAL 25 3HG2 VAL 25 -3.038 8.262 -1.665 189 H LEU 26 H LEU 26 -3.166 3.901 -4.110 190 HA LEU 26 HA LEU 26 -5.357 4.011 -5.928 191 1HB LEU 26 1HB LEU 26 -3.343 1.830 -5.325 192 2HB LEU 26 2HB LEU 26 -4.507 1.724 -6.647 193 HG LEU 26 HG LEU 26 -2.530 3.996 -6.286 194 1HD1 LEU 26 1HD1 LEU 26 -2.416 1.566 -8.098 195 2HD1 LEU 26 2HD1 LEU 26 -1.302 2.930 -8.166 196 3HD1 LEU 26 3HD1 LEU 26 -1.349 1.900 -6.735 197 1HD2 LEU 26 1HD2 LEU 26 -4.677 3.359 -8.289 198 2HD2 LEU 26 2HD2 LEU 26 -4.144 4.920 -7.671 199 3HD2 LEU 26 3HD2 LEU 26 -3.192 4.088 -8.895 200 H ALA 27 H ALA 27 -4.781 1.982 -3.078 201 HA ALA 27 HA ALA 27 -7.238 0.468 -3.459 202 1HB ALA 27 1HB ALA 27 -5.248 0.743 -1.205 203 2HB ALA 27 2HB ALA 27 -5.570 -0.664 -2.218 204 3HB ALA 27 3HB ALA 27 -6.743 -0.171 -0.998 205 H ASN 28 H ASN 28 -6.241 3.304 -1.614 206 HA ASN 28 HA ASN 28 -8.526 3.594 0.042 207 1HB ASN 28 1HB ASN 28 -6.458 4.885 0.349 208 2HB ASN 28 2HB ASN 28 -6.763 5.744 -1.160 209 2HD2 ASN 28 2HD2 ASN 28 -7.891 5.344 2.179 210 1HD2 ASN 28 1HD2 ASN 28 -8.866 6.732 2.199 211 H ARG 29 H ARG 29 -7.932 4.942 -3.234 212 HA ARG 29 HA ARG 29 -10.397 6.385 -3.350 213 1HB ARG 29 1HB ARG 29 -10.048 6.403 -5.812 214 2HB ARG 29 2HB ARG 29 -8.597 6.862 -4.923 215 1HG ARG 29 1HG ARG 29 -7.729 4.579 -5.143 216 2HG ARG 29 2HG ARG 29 -9.176 4.101 -6.032 217 1HD ARG 29 1HD ARG 29 -8.615 5.929 -7.701 218 2HD ARG 29 2HD ARG 29 -7.068 6.108 -6.875 219 HE ARG 29 HE ARG 29 -7.221 3.394 -7.446 220 1HH1 ARG 29 1HH1 ARG 29 -6.434 2.509 -9.375 221 2HH1 ARG 29 2HH1 ARG 29 -6.285 3.518 -10.775 222 1HH2 ARG 29 1HH2 ARG 29 -7.482 6.358 -9.185 223 2HH2 ARG 29 2HH2 ARG 29 -6.879 5.696 -10.668 224 H GLU 30 H GLU 30 -9.638 3.005 -4.088 225 HA GLU 30 HA GLU 30 -12.046 2.376 -5.478 226 1HB GLU 30 1HB GLU 30 -10.223 0.726 -3.722 227 2HB GLU 30 2HB GLU 30 -11.641 0.029 -4.502 228 1HG GLU 30 1HG GLU 30 -10.797 0.755 -6.699 229 2HG GLU 30 2HG GLU 30 -9.371 1.448 -5.924 230 H LEU 31 H LEU 31 -11.329 2.482 -2.008 231 HA LEU 31 HA LEU 31 -13.902 1.483 -1.154 232 1HB LEU 31 1HB LEU 31 -12.114 3.394 0.378 233 2HB LEU 31 2HB LEU 31 -13.242 2.211 1.040 234 HG LEU 31 HG LEU 31 -10.745 1.588 -0.542 235 1HD1 LEU 31 1HD1 LEU 31 -11.432 1.468 2.397 236 2HD1 LEU 31 2HD1 LEU 31 -10.126 0.500 1.712 237 3HD1 LEU 31 3HD1 LEU 31 -10.059 2.260 1.621 238 1HD2 LEU 31 1HD2 LEU 31 -12.964 -0.124 0.596 239 2HD2 LEU 31 2HD2 LEU 31 -12.262 -0.168 -1.022 240 3HD2 LEU 31 3HD2 LEU 31 -11.348 -0.786 0.352 241 H ASP 32 H ASP 32 -12.534 4.663 -1.744 242 HA ASP 32 HA ASP 32 -14.691 6.261 -0.836 243 1HB ASP 32 1HB ASP 32 -12.453 7.121 -1.406 244 2HB ASP 32 2HB ASP 32 -12.740 6.745 -3.103 245 H LYS 33 H LYS 33 -14.023 4.919 -4.088 246 HA LYS 33 HA LYS 33 -16.390 6.023 -5.295 247 1HB LYS 33 1HB LYS 33 -14.641 3.668 -6.041 248 2HB LYS 33 2HB LYS 33 -15.973 4.237 -7.047 249 1HG LYS 33 1HG LYS 33 -14.908 6.513 -7.057 250 2HG LYS 33 2HG LYS 33 -13.523 5.819 -6.218 251 1HD LYS 33 1HD LYS 33 -14.555 4.749 -8.858 252 2HD LYS 33 2HD LYS 33 -13.299 5.980 -8.752 253 1HE LYS 33 1HE LYS 33 -12.040 4.343 -7.221 254 2HE LYS 33 2HE LYS 33 -13.191 3.123 -7.768 255 1HZ LYS 33 1HZ LYS 33 -12.077 4.669 -9.910 256 2HZ LYS 33 2HZ LYS 33 -10.900 3.808 -9.039 257 3HZ LYS 33 3HZ LYS 33 -12.210 2.987 -9.743 258 H TYR 34 H TYR 34 -15.692 2.912 -3.734 259 HA TYR 34 HA TYR 34 -18.248 1.710 -4.310 260 1HB TYR 34 1HB TYR 34 -16.452 1.162 -1.934 261 2HB TYR 34 2HB TYR 34 -17.660 0.082 -2.613 262 HD1 TYR 34 HD1 TYR 34 -16.451 1.297 -5.587 263 HD2 TYR 34 HD2 TYR 34 -15.024 -0.948 -2.194 264 HE1 TYR 34 HE1 TYR 34 -14.718 0.265 -6.991 265 HE2 TYR 34 HE2 TYR 34 -13.286 -1.973 -3.625 266 HH TYR 34 HH TYR 34 -13.289 -2.291 -6.582 267 H GLY 35 H GLY 35 -17.039 3.667 -1.599 268 1HA GLY 35 1HA GLY 35 -19.831 4.365 -0.926 269 2HA GLY 35 2HA GLY 35 -18.384 5.121 -0.263 270 H VAL 36 H VAL 36 -17.179 2.465 0.398 271 HA VAL 36 HA VAL 36 -18.963 1.094 2.206 272 HB VAL 36 HB VAL 36 -16.896 0.006 3.034 273 1HG1 VAL 36 1HG1 VAL 36 -17.314 0.297 0.059 274 2HG1 VAL 36 2HG1 VAL 36 -16.105 -0.807 0.716 275 3HG1 VAL 36 3HG1 VAL 36 -17.810 -1.029 1.109 276 1HG2 VAL 36 1HG2 VAL 36 -15.561 2.031 1.218 277 2HG2 VAL 36 2HG2 VAL 36 -15.384 1.911 2.968 278 3HG2 VAL 36 3HG2 VAL 36 -14.740 0.642 1.927 279 H SER 37 H SER 37 -17.717 0.885 4.619 280 HA SER 37 HA SER 37 -18.406 3.384 5.894 281 1HB SER 37 1HB SER 37 -17.914 2.292 7.939 282 2HB SER 37 2HB SER 37 -18.506 1.007 6.890 283 HG SER 37 HG SER 37 -16.273 0.998 8.154 284 H ASP 38 H ASP 38 -16.964 4.810 7.037 285 HA ASP 38 HA ASP 38 -14.506 5.366 5.626 286 1HB ASP 38 1HB ASP 38 -15.967 7.074 6.793 287 2HB ASP 38 2HB ASP 38 -15.343 6.453 8.323 288 H TYR 39 H TYR 39 -15.306 3.388 8.345 289 HA TYR 39 HA TYR 39 -12.840 3.418 9.757 290 1HB TYR 39 1HB TYR 39 -14.793 2.333 10.699 291 2HB TYR 39 2HB TYR 39 -14.856 1.189 9.357 292 HD1 TYR 39 HD1 TYR 39 -13.251 -0.613 9.153 293 HD2 TYR 39 HD2 TYR 39 -13.061 2.148 12.435 294 HE1 TYR 39 HE1 TYR 39 -11.684 -2.122 10.324 295 HE2 TYR 39 HE2 TYR 39 -11.490 0.633 13.615 296 HH TYR 39 HH TYR 39 -10.949 -2.580 12.635 297 H TYR 40 H TYR 40 -13.883 1.390 7.021 298 HA TYR 40 HA TYR 40 -11.586 -0.260 6.886 299 1HB TYR 40 1HB TYR 40 -13.537 0.660 4.768 300 2HB TYR 40 2HB TYR 40 -12.238 -0.482 4.423 301 HD1 TYR 40 HD1 TYR 40 -12.024 -2.468 6.205 302 HD2 TYR 40 HD2 TYR 40 -15.603 -0.222 5.430 303 HE1 TYR 40 HE1 TYR 40 -13.388 -4.320 7.132 304 HE2 TYR 40 HE2 TYR 40 -16.967 -2.073 6.358 305 HH TYR 40 HH TYR 40 -16.856 -4.370 6.841 306 H LYS 41 H LYS 41 -12.132 2.964 5.385 307 HA LYS 41 HA LYS 41 -9.728 2.880 3.839 308 1HB LYS 41 1HB LYS 41 -10.209 5.062 3.238 309 2HB LYS 41 2HB LYS 41 -11.788 4.602 3.861 310 1HG LYS 41 1HG LYS 41 -10.980 5.525 6.121 311 2HG LYS 41 2HG LYS 41 -9.647 6.242 5.227 312 1HD LYS 41 1HD LYS 41 -12.606 6.736 4.793 313 2HD LYS 41 2HD LYS 41 -11.420 7.888 5.406 314 1HE LYS 41 1HE LYS 41 -11.617 8.476 3.135 315 2HE LYS 41 2HE LYS 41 -10.174 7.465 3.163 316 1HZ LYS 41 1HZ LYS 41 -12.593 5.961 2.847 317 2HZ LYS 41 2HZ LYS 41 -12.354 7.076 1.592 318 3HZ LYS 41 3HZ LYS 41 -11.162 5.916 1.934 319 H ASN 42 H ASN 42 -10.414 3.932 7.138 320 HA ASN 42 HA ASN 42 -7.822 4.955 7.713 321 1HB ASN 42 1HB ASN 42 -9.923 3.705 9.502 322 2HB ASN 42 2HB ASN 42 -8.438 4.431 10.119 323 2HD2 ASN 42 2HD2 ASN 42 -11.061 5.495 10.729 324 1HD2 ASN 42 1HD2 ASN 42 -11.174 7.031 10.018 325 H LEU 43 H LEU 43 -9.191 1.706 7.832 326 HA LEU 43 HA LEU 43 -7.018 0.400 9.112 327 1HB LEU 43 1HB LEU 43 -9.202 -0.690 8.713 328 2HB LEU 43 2HB LEU 43 -8.893 -0.677 6.978 329 HG LEU 43 HG LEU 43 -6.912 -2.115 7.315 330 1HD1 LEU 43 1HD1 LEU 43 -7.652 -1.729 10.210 331 2HD1 LEU 43 2HD1 LEU 43 -6.857 -3.221 9.709 332 3HD1 LEU 43 3HD1 LEU 43 -6.062 -1.671 9.450 333 1HD2 LEU 43 1HD2 LEU 43 -9.255 -3.042 6.997 334 2HD2 LEU 43 2HD2 LEU 43 -8.114 -4.146 7.765 335 3HD2 LEU 43 3HD2 LEU 43 -9.309 -3.293 8.741 336 H ILE 44 H ILE 44 -7.575 1.209 5.692 337 HA ILE 44 HA ILE 44 -5.333 -0.186 4.610 338 HB ILE 44 HB ILE 44 -6.472 2.487 3.713 339 1HG1 ILE 44 1HG1 ILE 44 -8.293 0.909 3.758 340 2HG1 ILE 44 2HG1 ILE 44 -7.775 1.055 2.082 341 1HG2 ILE 44 1HG2 ILE 44 -4.751 0.399 2.371 342 2HG2 ILE 44 2HG2 ILE 44 -5.637 1.624 1.462 343 3HG2 ILE 44 3HG2 ILE 44 -4.394 2.107 2.616 344 1HD1 ILE 44 1HD1 ILE 44 -6.253 -0.995 2.626 345 2HD1 ILE 44 2HD1 ILE 44 -7.337 -1.214 4.002 346 3HD1 ILE 44 3HD1 ILE 44 -7.975 -1.262 2.359 347 H ASN 45 H ASN 45 -5.652 3.030 6.045 348 HA ASN 45 HA ASN 45 -3.091 4.066 5.530 349 1HB ASN 45 1HB ASN 45 -5.024 5.248 6.661 350 2HB ASN 45 2HB ASN 45 -4.595 4.380 8.137 351 2HD2 ASN 45 2HD2 ASN 45 -4.195 6.715 8.927 352 1HD2 ASN 45 1HD2 ASN 45 -2.661 7.382 8.638 353 H ASN 46 H ASN 46 -4.090 1.608 7.844 354 HA ASN 46 HA ASN 46 -1.444 1.623 9.167 355 1HB ASN 46 1HB ASN 46 -3.573 1.275 10.451 356 2HB ASN 46 2HB ASN 46 -3.775 -0.259 9.604 357 2HD2 ASN 46 2HD2 ASN 46 -1.769 1.449 11.985 358 1HD2 ASN 46 1HD2 ASN 46 -0.964 0.068 12.553 359 H ALA 47 H ALA 47 -2.249 0.545 6.253 360 HA ALA 47 HA ALA 47 -1.689 -2.237 6.212 361 1HB ALA 47 1HB ALA 47 -2.464 -0.786 4.266 362 2HB ALA 47 2HB ALA 47 -1.215 -1.968 3.877 363 3HB ALA 47 3HB ALA 47 -0.786 -0.271 4.095 364 H LYS 48 H LYS 48 0.169 -3.359 6.620 365 HA LYS 48 HA LYS 48 2.658 -1.815 7.135 366 1HB LYS 48 1HB LYS 48 3.450 -3.924 8.168 367 2HB LYS 48 2HB LYS 48 1.928 -3.378 8.872 368 1HG LYS 48 1HG LYS 48 0.694 -4.939 7.405 369 2HG LYS 48 2HG LYS 48 2.219 -5.496 6.717 370 1HD LYS 48 1HD LYS 48 2.952 -6.171 9.014 371 2HD LYS 48 2HD LYS 48 1.349 -5.741 9.609 372 1HE LYS 48 1HE LYS 48 1.343 -8.115 9.184 373 2HE LYS 48 2HE LYS 48 0.385 -7.351 7.917 374 1HZ LYS 48 1HZ LYS 48 3.269 -7.922 7.589 375 2HZ LYS 48 2HZ LYS 48 2.074 -9.055 7.183 376 3HZ LYS 48 3HZ LYS 48 2.127 -7.555 6.386 377 H THR 49 H THR 49 1.334 -4.123 4.854 378 HA THR 49 HA THR 49 3.908 -4.005 3.328 379 HB THR 49 HB THR 49 3.460 -6.431 2.689 380 HG1 THR 49 HG1 THR 49 2.142 -6.856 5.041 381 1HG2 THR 49 1HG2 THR 49 4.222 -5.577 5.481 382 2HG2 THR 49 2HG2 THR 49 4.303 -7.266 4.980 383 3HG2 THR 49 3HG2 THR 49 5.278 -6.052 4.151 384 H VAL 50 H VAL 50 3.640 -4.124 1.050 385 HA VAL 50 HA VAL 50 1.179 -2.990 0.069 386 HB VAL 50 HB VAL 50 2.209 -3.202 -2.153 387 1HG1 VAL 50 1HG1 VAL 50 4.086 -2.341 0.066 388 2HG1 VAL 50 2HG1 VAL 50 4.338 -1.970 -1.641 389 3HG1 VAL 50 3HG1 VAL 50 2.929 -1.328 -0.796 390 1HG2 VAL 50 1HG2 VAL 50 4.201 -4.913 -0.644 391 2HG2 VAL 50 2HG2 VAL 50 3.209 -5.383 -2.024 392 3HG2 VAL 50 3HG2 VAL 50 4.530 -4.234 -2.238 393 H GLU 51 H GLU 51 2.488 -6.274 0.111 394 HA GLU 51 HA GLU 51 0.671 -7.430 -1.743 395 1HB GLU 51 1HB GLU 51 2.048 -8.602 0.685 396 2HB GLU 51 2HB GLU 51 1.104 -9.568 -0.453 397 1HG GLU 51 1HG GLU 51 2.554 -8.817 -2.301 398 2HG GLU 51 2HG GLU 51 3.504 -7.854 -1.169 399 H GLY 52 H GLY 52 0.378 -6.807 1.725 400 1HA GLY 52 1HA GLY 52 -1.492 -6.945 3.138 401 2HA GLY 52 2HA GLY 52 -2.189 -8.093 1.997 402 H VAL 53 H VAL 53 -1.198 -4.898 0.897 403 HA VAL 53 HA VAL 53 -3.634 -3.504 1.369 404 HB VAL 53 HB VAL 53 -1.597 -3.179 -0.854 405 1HG1 VAL 53 1HG1 VAL 53 -4.012 -1.520 -0.093 406 2HG1 VAL 53 2HG1 VAL 53 -2.643 -0.836 -0.972 407 3HG1 VAL 53 3HG1 VAL 53 -3.582 -2.146 -1.685 408 1HG2 VAL 53 1HG2 VAL 53 -0.854 -2.810 1.517 409 2HG2 VAL 53 2HG2 VAL 53 -0.769 -1.354 0.526 410 3HG2 VAL 53 3HG2 VAL 53 -2.097 -1.569 1.666 411 H LYS 54 H LYS 54 -2.614 -5.290 -1.582 412 HA LYS 54 HA LYS 54 -5.204 -4.902 -2.819 413 1HB LYS 54 1HB LYS 54 -4.405 -6.405 -4.560 414 2HB LYS 54 2HB LYS 54 -3.146 -5.246 -4.146 415 1HG LYS 54 1HG LYS 54 -2.070 -6.948 -2.693 416 2HG LYS 54 2HG LYS 54 -3.318 -8.109 -3.151 417 1HD LYS 54 1HD LYS 54 -2.678 -7.853 -5.529 418 2HD LYS 54 2HD LYS 54 -1.396 -6.741 -5.055 419 1HE LYS 54 1HE LYS 54 -1.495 -9.477 -3.804 420 2HE LYS 54 2HE LYS 54 -0.845 -9.293 -5.431 421 1HZ LYS 54 1HZ LYS 54 0.097 -7.374 -3.469 422 2HZ LYS 54 2HZ LYS 54 0.606 -8.975 -3.232 423 3HZ LYS 54 3HZ LYS 54 0.946 -8.186 -4.698 424 H ALA 55 H ALA 55 -3.747 -7.575 -0.981 425 HA ALA 55 HA ALA 55 -5.906 -9.415 -1.509 426 1HB ALA 55 1HB ALA 55 -4.981 -10.680 0.434 427 2HB ALA 55 2HB ALA 55 -3.894 -9.329 0.757 428 3HB ALA 55 3HB ALA 55 -3.744 -10.242 -0.745 429 H LEU 56 H LEU 56 -5.455 -6.848 0.795 430 HA LEU 56 HA LEU 56 -7.452 -7.670 2.684 431 1HB LEU 56 1HB LEU 56 -5.729 -6.001 3.220 432 2HB LEU 56 2HB LEU 56 -6.399 -4.908 2.012 433 HG LEU 56 HG LEU 56 -8.519 -4.801 3.274 434 1HD1 LEU 56 1HD1 LEU 56 -7.103 -6.831 4.994 435 2HD1 LEU 56 2HD1 LEU 56 -8.301 -5.759 5.716 436 3HD1 LEU 56 3HD1 LEU 56 -8.765 -6.839 4.404 437 1HD2 LEU 56 1HD2 LEU 56 -6.434 -3.334 3.760 438 2HD2 LEU 56 2HD2 LEU 56 -7.722 -3.348 4.965 439 3HD2 LEU 56 3HD2 LEU 56 -6.263 -4.305 5.221 440 H ILE 57 H ILE 57 -7.552 -5.594 -0.201 441 HA ILE 57 HA ILE 57 -10.291 -4.792 0.078 442 HB ILE 57 HB ILE 57 -8.806 -5.274 -2.522 443 1HG1 ILE 57 1HG1 ILE 57 -7.392 -3.854 -1.170 444 2HG1 ILE 57 2HG1 ILE 57 -8.216 -2.818 -2.329 445 1HG2 ILE 57 1HG2 ILE 57 -11.283 -4.822 -2.583 446 2HG2 ILE 57 2HG2 ILE 57 -10.956 -3.254 -1.850 447 3HG2 ILE 57 3HG2 ILE 57 -10.307 -3.638 -3.444 448 1HD1 ILE 57 1HD1 ILE 57 -9.991 -2.508 -0.451 449 2HD1 ILE 57 2HD1 ILE 57 -8.740 -3.129 0.623 450 3HD1 ILE 57 3HD1 ILE 57 -8.458 -1.652 -0.298 451 H ASP 58 H ASP 58 -8.708 -7.611 -1.348 452 HA ASP 58 HA ASP 58 -10.993 -8.736 -2.628 453 1HB ASP 58 1HB ASP 58 -8.689 -9.577 -2.963 454 2HB ASP 58 2HB ASP 58 -8.676 -10.183 -1.307 455 H GLU 59 H GLU 59 -9.835 -8.998 0.720 456 HA GLU 59 HA GLU 59 -11.861 -10.891 1.527 457 1HB GLU 59 1HB GLU 59 -10.121 -8.966 3.096 458 2HB GLU 59 2HB GLU 59 -11.225 -10.113 3.855 459 1HG GLU 59 1HG GLU 59 -9.061 -10.929 1.899 460 2HG GLU 59 2HG GLU 59 -8.844 -10.938 3.649 461 H ILE 60 H ILE 60 -11.559 -7.366 1.580 462 HA ILE 60 HA ILE 60 -13.997 -6.880 2.996 463 HB ILE 60 HB ILE 60 -12.460 -5.126 1.064 464 1HG1 ILE 60 1HG1 ILE 60 -12.538 -5.097 4.096 465 2HG1 ILE 60 2HG1 ILE 60 -11.298 -5.940 3.172 466 1HG2 ILE 60 1HG2 ILE 60 -14.749 -4.553 2.963 467 2HG2 ILE 60 2HG2 ILE 60 -13.692 -3.289 2.333 468 3HG2 ILE 60 3HG2 ILE 60 -14.683 -4.241 1.228 469 1HD1 ILE 60 1HD1 ILE 60 -11.891 -3.017 2.694 470 2HD1 ILE 60 2HD1 ILE 60 -10.763 -3.536 3.945 471 3HD1 ILE 60 3HD1 ILE 60 -10.447 -3.929 2.256 472 H LEU 61 H LEU 61 -13.267 -6.943 -0.507 473 HA LEU 61 HA LEU 61 -15.982 -6.324 -1.278 474 1HB LEU 61 1HB LEU 61 -13.671 -7.568 -2.789 475 2HB LEU 61 2HB LEU 61 -15.229 -7.219 -3.539 476 HG LEU 61 HG LEU 61 -13.533 -5.150 -2.109 477 1HD1 LEU 61 1HD1 LEU 61 -12.433 -6.124 -4.152 478 2HD1 LEU 61 2HD1 LEU 61 -13.831 -5.605 -5.093 479 3HD1 LEU 61 3HD1 LEU 61 -12.806 -4.407 -4.305 480 1HD2 LEU 61 1HD2 LEU 61 -16.128 -5.087 -3.640 481 2HD2 LEU 61 2HD2 LEU 61 -15.678 -4.228 -2.168 482 3HD2 LEU 61 3HD2 LEU 61 -15.062 -3.686 -3.724 483 H ALA 62 H ALA 62 -14.239 -9.348 -0.714 484 HA ALA 62 HA ALA 62 -16.385 -11.021 -1.730 485 1HB ALA 62 1HB ALA 62 -14.055 -11.834 -1.583 486 2HB ALA 62 2HB ALA 62 -14.118 -11.688 0.173 487 3HB ALA 62 3HB ALA 62 -15.143 -12.862 -0.651 488 H ALA 63 H ALA 63 -15.962 -9.203 1.115 489 HA ALA 63 HA ALA 63 -17.607 -10.954 2.819 490 1HB ALA 63 1HB ALA 63 -17.294 -9.203 4.514 491 2HB ALA 63 2HB ALA 63 -15.748 -9.643 3.788 492 3HB ALA 63 3HB ALA 63 -16.556 -8.152 3.304 493 H LEU 64 H LEU 64 -18.418 -9.029 0.296 494 HA LEU 64 HA LEU 64 -21.105 -8.510 1.453 495 1HB LEU 64 1HB LEU 64 -21.112 -6.202 0.472 496 2HB LEU 64 2HB LEU 64 -19.949 -6.402 1.774 497 HG LEU 64 HG LEU 64 -18.365 -7.060 -0.362 498 1HD1 LEU 64 1HD1 LEU 64 -20.354 -5.005 -1.377 499 2HD1 LEU 64 2HD1 LEU 64 -18.811 -5.370 -2.147 500 3HD1 LEU 64 3HD1 LEU 64 -20.062 -6.605 -2.056 501 1HD2 LEU 64 1HD2 LEU 64 -18.964 -4.299 0.737 502 2HD2 LEU 64 2HD2 LEU 64 -17.727 -5.423 1.302 503 3HD2 LEU 64 3HD2 LEU 64 -17.575 -4.668 -0.286 504 HA PRO 65 HA PRO 65 -22.323 -10.124 -2.520 505 1HB PRO 65 1HB PRO 65 -24.664 -8.576 -2.906 506 2HB PRO 65 2HB PRO 65 -24.562 -10.127 -2.065 507 1HG PRO 65 1HG PRO 65 -24.820 -7.399 -0.936 508 2HG PRO 65 2HG PRO 65 -25.269 -8.955 -0.224 509 1HD PRO 65 1HD PRO 65 -23.045 -7.441 0.533 510 2HD PRO 65 2HD PRO 65 -23.232 -9.185 0.834 No H/Q in entry = 510 Start of MODEL 26 1 H1 MET 1 H1 MET 1 32.302 -0.562 -18.409 2 H2 MET 1 H2 MET 1 32.929 -0.565 -19.989 3 H3 MET 1 H3 MET 1 33.878 -0.003 -18.697 4 HA MET 1 HA MET 1 33.091 2.034 -18.887 5 1HB MET 1 1HB MET 1 33.080 1.191 -21.327 6 2HB MET 1 2HB MET 1 31.331 1.064 -21.148 7 1HG MET 1 1HG MET 1 32.803 3.626 -20.496 8 2HG MET 1 2HG MET 1 32.251 3.262 -22.127 9 1HE MET 1 1HE MET 1 29.740 2.214 -22.457 10 2HE MET 1 2HE MET 1 28.577 3.518 -22.181 11 3HE MET 1 3HE MET 1 30.100 3.849 -23.003 12 H LYS 2 H LYS 2 30.242 -0.029 -19.613 13 HA LYS 2 HA LYS 2 28.399 1.794 -18.353 14 1HB LYS 2 1HB LYS 2 27.793 0.067 -20.079 15 2HB LYS 2 2HB LYS 2 28.013 -1.172 -18.845 16 1HG LYS 2 1HG LYS 2 26.320 0.050 -17.428 17 2HG LYS 2 2HG LYS 2 26.014 1.107 -18.805 18 1HD LYS 2 1HD LYS 2 25.738 -1.914 -18.870 19 2HD LYS 2 2HD LYS 2 24.392 -0.798 -18.651 20 1HE LYS 2 1HE LYS 2 25.227 0.303 -20.856 21 2HE LYS 2 2HE LYS 2 26.125 -1.197 -21.088 22 1HZ LYS 2 1HZ LYS 2 23.989 -2.388 -20.739 23 2HZ LYS 2 2HZ LYS 2 23.194 -0.890 -20.771 24 3HZ LYS 2 3HZ LYS 2 24.033 -1.435 -22.145 25 H ALA 3 H ALA 3 27.753 1.914 -16.237 26 HA ALA 3 HA ALA 3 28.256 -0.306 -14.379 27 1HB ALA 3 1HB ALA 3 29.519 2.383 -13.793 28 2HB ALA 3 2HB ALA 3 29.737 0.869 -12.912 29 3HB ALA 3 3HB ALA 3 30.416 1.053 -14.527 30 H ILE 4 H ILE 4 27.224 0.104 -12.283 31 HA ILE 4 HA ILE 4 25.665 2.483 -11.805 32 HB ILE 4 HB ILE 4 24.380 1.374 -13.690 33 1HG1 ILE 4 1HG1 ILE 4 22.154 1.378 -12.420 34 2HG1 ILE 4 2HG1 ILE 4 23.091 1.677 -10.961 35 1HG2 ILE 4 1HG2 ILE 4 24.952 -0.959 -12.788 36 2HG2 ILE 4 2HG2 ILE 4 23.660 -0.704 -11.617 37 3HG2 ILE 4 3HG2 ILE 4 23.296 -0.711 -13.343 38 1HD1 ILE 4 1HD1 ILE 4 23.410 3.446 -13.388 39 2HD1 ILE 4 2HD1 ILE 4 22.114 3.721 -12.228 40 3HD1 ILE 4 3HD1 ILE 4 23.793 3.808 -11.707 41 H PHE 5 H PHE 5 26.518 -0.810 -11.135 42 HA PHE 5 HA PHE 5 25.111 -1.010 -8.602 43 1HB PHE 5 1HB PHE 5 26.506 -3.038 -8.279 44 2HB PHE 5 2HB PHE 5 25.718 -3.024 -9.856 45 HD1 PHE 5 HD1 PHE 5 26.992 -2.673 -11.909 46 HD2 PHE 5 HD2 PHE 5 28.923 -2.638 -8.070 47 HE1 PHE 5 HE1 PHE 5 29.204 -2.840 -13.019 48 HE2 PHE 5 HE2 PHE 5 31.134 -2.805 -9.182 49 HZ PHE 5 HZ PHE 5 31.274 -2.907 -11.655 50 H VAL 6 H VAL 6 27.937 0.600 -9.597 51 HA VAL 6 HA VAL 6 29.583 0.335 -7.281 52 HB VAL 6 HB VAL 6 29.236 2.606 -9.261 53 1HG1 VAL 6 1HG1 VAL 6 31.302 2.223 -7.070 54 2HG1 VAL 6 2HG1 VAL 6 31.476 3.364 -8.403 55 3HG1 VAL 6 3HG1 VAL 6 30.171 3.567 -7.238 56 1HG2 VAL 6 1HG2 VAL 6 30.100 0.341 -10.023 57 2HG2 VAL 6 2HG2 VAL 6 31.201 1.692 -10.304 58 3HG2 VAL 6 3HG2 VAL 6 31.477 0.593 -8.952 59 H LEU 7 H LEU 7 26.899 2.510 -8.052 60 HA LEU 7 HA LEU 7 26.884 3.465 -5.201 61 1HB LEU 7 1HB LEU 7 25.745 4.806 -7.674 62 2HB LEU 7 2HB LEU 7 25.761 5.470 -6.041 63 HG LEU 7 HG LEU 7 28.215 4.784 -7.686 64 1HD1 LEU 7 1HD1 LEU 7 26.924 7.425 -6.941 65 2HD1 LEU 7 2HD1 LEU 7 28.525 7.277 -7.664 66 3HD1 LEU 7 3HD1 LEU 7 27.100 6.755 -8.563 67 1HD2 LEU 7 1HD2 LEU 7 27.805 5.768 -4.861 68 2HD2 LEU 7 2HD2 LEU 7 28.912 4.529 -5.454 69 3HD2 LEU 7 3HD2 LEU 7 29.257 6.230 -5.749 70 H ASN 8 H ASN 8 24.885 3.438 -4.119 71 HA ASN 8 HA ASN 8 22.592 2.120 -5.533 72 1HB ASN 8 1HB ASN 8 22.133 0.836 -3.482 73 2HB ASN 8 2HB ASN 8 23.734 0.455 -4.114 74 2HD2 ASN 8 2HD2 ASN 8 24.666 -0.100 -2.052 75 1HD2 ASN 8 1HD2 ASN 8 24.917 1.053 -0.832 76 H ALA 9 H ALA 9 20.519 2.437 -4.195 77 HA ALA 9 HA ALA 9 20.065 5.223 -3.831 78 1HB ALA 9 1HB ALA 9 18.410 3.054 -2.527 79 2HB ALA 9 2HB ALA 9 17.874 4.626 -3.122 80 3HB ALA 9 3HB ALA 9 18.342 3.365 -4.261 81 H GLN 10 H GLN 10 21.422 6.201 -2.331 82 HA GLN 10 HA GLN 10 21.871 5.016 0.304 83 1HB GLN 10 1HB GLN 10 23.605 6.390 -0.825 84 2HB GLN 10 2HB GLN 10 22.538 7.791 -0.728 85 1HG GLN 10 1HG GLN 10 22.548 7.681 1.711 86 2HG GLN 10 2HG GLN 10 23.516 6.207 1.666 87 2HE2 GLN 10 2HE2 GLN 10 24.805 8.042 3.080 88 1HE2 GLN 10 1HE2 GLN 10 26.000 8.858 2.192 89 H HIS 11 H HIS 11 21.139 5.992 2.312 90 HA HIS 11 HA HIS 11 18.390 6.841 2.217 91 1HB HIS 11 1HB HIS 11 19.342 5.618 4.146 92 2HB HIS 11 2HB HIS 11 20.375 7.002 4.506 93 HD1 HIS 11 HD1 HIS 11 19.101 7.193 6.836 94 HD2 HIS 11 HD2 HIS 11 16.737 7.906 3.476 95 HE1 HIS 11 HE1 HIS 11 16.988 8.314 7.669 96 H ASP 12 H ASP 12 17.664 8.849 1.764 97 HA ASP 12 HA ASP 12 19.494 11.191 2.216 98 1HB ASP 12 1HB ASP 12 17.345 10.709 0.136 99 2HB ASP 12 2HB ASP 12 18.102 12.278 0.406 100 H GLU 13 H GLU 13 16.543 12.320 1.306 101 HA GLU 13 HA GLU 13 15.951 13.506 3.819 102 1HB GLU 13 1HB GLU 13 15.118 14.386 1.660 103 2HB GLU 13 2HB GLU 13 14.081 12.971 1.488 104 1HG GLU 13 1HG GLU 13 12.886 13.588 3.560 105 2HG GLU 13 2HG GLU 13 13.927 15.001 3.739 106 H ALA 14 H ALA 14 14.628 10.596 2.256 107 HA ALA 14 HA ALA 14 14.083 9.329 4.781 108 1HB ALA 14 1HB ALA 14 11.589 9.320 4.598 109 2HB ALA 14 2HB ALA 14 11.715 10.486 3.280 110 3HB ALA 14 3HB ALA 14 12.242 10.930 4.902 111 H VAL 15 H VAL 15 12.696 7.272 4.355 112 HA VAL 15 HA VAL 15 13.807 5.919 2.055 113 HB VAL 15 HB VAL 15 13.265 4.731 4.158 114 1HG1 VAL 15 1HG1 VAL 15 11.109 6.148 4.465 115 2HG1 VAL 15 2HG1 VAL 15 10.348 4.954 3.414 116 3HG1 VAL 15 3HG1 VAL 15 11.059 4.454 4.948 117 1HG2 VAL 15 1HG2 VAL 15 13.263 3.599 1.871 118 2HG2 VAL 15 2HG2 VAL 15 12.363 2.760 3.136 119 3HG2 VAL 15 3HG2 VAL 15 11.505 3.707 1.921 120 H ASP 16 H ASP 16 12.606 5.118 0.205 121 HA ASP 16 HA ASP 16 10.611 7.009 -0.742 122 1HB ASP 16 1HB ASP 16 11.709 4.433 -1.898 123 2HB ASP 16 2HB ASP 16 10.526 5.441 -2.732 124 H ALA 17 H ALA 17 8.607 6.902 0.119 125 HA ALA 17 HA ALA 17 7.342 4.210 0.534 126 1HB ALA 17 1HB ALA 17 7.526 5.559 2.584 127 2HB ALA 17 2HB ALA 17 6.694 6.897 1.791 128 3HB ALA 17 3HB ALA 17 5.836 5.388 2.108 129 H ASN 18 H ASN 18 7.524 6.420 -1.791 130 HA ASN 18 HA ASN 18 4.859 7.263 -2.319 131 1HB ASN 18 1HB ASN 18 7.160 6.629 -4.189 132 2HB ASN 18 2HB ASN 18 5.640 7.344 -4.730 133 2HD2 ASN 18 2HD2 ASN 18 5.089 9.143 -2.643 134 1HD2 ASN 18 1HD2 ASN 18 6.315 10.315 -2.563 135 H SER 19 H SER 19 6.574 4.265 -3.174 136 HA SER 19 HA SER 19 4.536 3.144 -4.816 137 1HB SER 19 1HB SER 19 6.570 1.811 -3.010 138 2HB SER 19 2HB SER 19 5.551 0.939 -4.151 139 HG SER 19 HG SER 19 6.872 3.140 -5.170 140 H LEU 20 H LEU 20 5.015 3.066 -1.285 141 HA LEU 20 HA LEU 20 2.749 1.331 -0.792 142 1HB LEU 20 1HB LEU 20 4.224 3.300 0.986 143 2HB LEU 20 2HB LEU 20 2.933 2.254 1.567 144 HG LEU 20 HG LEU 20 5.436 1.236 0.201 145 1HD1 LEU 20 1HD1 LEU 20 5.933 2.400 2.349 146 2HD1 LEU 20 2HD1 LEU 20 4.801 1.321 3.164 147 3HD1 LEU 20 3HD1 LEU 20 6.266 0.669 2.425 148 1HD2 LEU 20 1HD2 LEU 20 3.046 -0.055 1.504 149 2HD2 LEU 20 2HD2 LEU 20 3.890 -0.506 0.024 150 3HD2 LEU 20 3HD2 LEU 20 4.606 -0.869 1.591 151 H ALA 21 H ALA 21 3.229 4.845 -0.877 152 HA ALA 21 HA ALA 21 0.648 5.595 0.016 153 1HB ALA 21 1HB ALA 21 2.538 6.962 -1.916 154 2HB ALA 21 2HB ALA 21 2.403 7.255 -0.182 155 3HB ALA 21 3HB ALA 21 1.086 7.719 -1.261 156 H GLU 22 H GLU 22 1.856 5.126 -3.325 157 HA GLU 22 HA GLU 22 -0.650 5.600 -4.596 158 1HB GLU 22 1HB GLU 22 1.495 5.481 -5.831 159 2HB GLU 22 2HB GLU 22 1.587 3.755 -5.486 160 1HG GLU 22 1HG GLU 22 -0.519 3.389 -6.712 161 2HG GLU 22 2HG GLU 22 -0.622 5.115 -7.057 162 H ALA 23 H ALA 23 0.812 2.574 -3.396 163 HA ALA 23 HA ALA 23 -1.284 0.842 -4.244 164 1HB ALA 23 1HB ALA 23 0.389 0.571 -1.726 165 2HB ALA 23 2HB ALA 23 0.935 0.091 -3.332 166 3HB ALA 23 3HB ALA 23 -0.440 -0.726 -2.587 167 H LYS 24 H LYS 24 -0.842 2.690 -1.235 168 HA LYS 24 HA LYS 24 -3.303 1.773 -0.030 169 1HB LYS 24 1HB LYS 24 -1.536 4.182 0.482 170 2HB LYS 24 2HB LYS 24 -2.945 3.786 1.469 171 1HG LYS 24 1HG LYS 24 -1.977 1.579 1.984 172 2HG LYS 24 2HG LYS 24 -0.567 1.960 0.998 173 1HD LYS 24 1HD LYS 24 -0.092 3.907 2.472 174 2HD LYS 24 2HD LYS 24 -1.460 3.446 3.486 175 1HE LYS 24 1HE LYS 24 -0.403 1.279 3.958 176 2HE LYS 24 2HE LYS 24 0.953 1.698 2.908 177 1HZ LYS 24 1HZ LYS 24 0.432 3.723 4.850 178 2HZ LYS 24 2HZ LYS 24 0.747 2.226 5.584 179 3HZ LYS 24 3HZ LYS 24 1.878 2.899 4.510 180 H VAL 25 H VAL 25 -2.413 4.613 -1.993 181 HA VAL 25 HA VAL 25 -4.987 5.906 -1.806 182 HB VAL 25 HB VAL 25 -2.797 6.075 -3.885 183 1HG1 VAL 25 1HG1 VAL 25 -5.391 7.597 -3.589 184 2HG1 VAL 25 2HG1 VAL 25 -4.014 8.254 -4.472 185 3HG1 VAL 25 3HG1 VAL 25 -4.777 6.761 -5.016 186 1HG2 VAL 25 1HG2 VAL 25 -2.481 6.891 -1.427 187 2HG2 VAL 25 2HG2 VAL 25 -2.065 7.999 -2.733 188 3HG2 VAL 25 3HG2 VAL 25 -3.595 8.183 -1.877 189 H LEU 26 H LEU 26 -3.570 3.863 -4.403 190 HA LEU 26 HA LEU 26 -5.954 3.797 -5.952 191 1HB LEU 26 1HB LEU 26 -3.738 1.743 -5.628 192 2HB LEU 26 2HB LEU 26 -5.030 1.587 -6.816 193 HG LEU 26 HG LEU 26 -3.136 3.950 -6.639 194 1HD1 LEU 26 1HD1 LEU 26 -2.077 1.738 -7.280 195 2HD1 LEU 26 2HD1 LEU 26 -3.152 1.709 -8.677 196 3HD1 LEU 26 3HD1 LEU 26 -1.959 2.996 -8.512 197 1HD2 LEU 26 1HD2 LEU 26 -5.453 3.226 -8.421 198 2HD2 LEU 26 2HD2 LEU 26 -4.983 4.800 -7.783 199 3HD2 LEU 26 3HD2 LEU 26 -4.095 4.097 -9.129 200 H ALA 27 H ALA 27 -4.865 1.792 -3.234 201 HA ALA 27 HA ALA 27 -7.173 0.040 -3.317 202 1HB ALA 27 1HB ALA 27 -4.907 -0.407 -2.188 203 2HB ALA 27 2HB ALA 27 -5.478 0.631 -0.882 204 3HB ALA 27 3HB ALA 27 -6.342 -0.855 -1.271 205 H ASN 28 H ASN 28 -6.248 2.597 -0.976 206 HA ASN 28 HA ASN 28 -8.770 2.738 0.331 207 1HB ASN 28 1HB ASN 28 -6.712 3.723 1.259 208 2HB ASN 28 2HB ASN 28 -6.698 4.921 -0.036 209 2HD2 ASN 28 2HD2 ASN 28 -6.813 5.993 2.481 210 1HD2 ASN 28 1HD2 ASN 28 -8.375 6.553 2.840 211 H ARG 29 H ARG 29 -7.525 4.582 -2.450 212 HA ARG 29 HA ARG 29 -9.701 6.394 -2.677 213 1HB ARG 29 1HB ARG 29 -7.514 6.542 -3.919 214 2HB ARG 29 2HB ARG 29 -8.078 5.237 -4.965 215 1HG ARG 29 1HG ARG 29 -8.690 7.097 -6.199 216 2HG ARG 29 2HG ARG 29 -10.169 6.826 -5.288 217 1HD ARG 29 1HD ARG 29 -8.984 8.430 -3.530 218 2HD ARG 29 2HD ARG 29 -8.086 8.963 -4.946 219 HE ARG 29 HE ARG 29 -10.745 9.734 -4.275 220 1HH1 ARG 29 1HH1 ARG 29 -12.277 10.402 -5.771 221 2HH1 ARG 29 2HH1 ARG 29 -12.005 10.118 -7.459 222 1HH2 ARG 29 1HH2 ARG 29 -8.939 8.589 -6.985 223 2HH2 ARG 29 2HH2 ARG 29 -10.123 9.087 -8.140 224 H GLU 30 H GLU 30 -9.292 3.102 -3.954 225 HA GLU 30 HA GLU 30 -11.615 3.053 -5.595 226 1HB GLU 30 1HB GLU 30 -9.849 1.287 -5.571 227 2HB GLU 30 2HB GLU 30 -10.431 0.766 -3.991 228 1HG GLU 30 1HG GLU 30 -11.405 -0.663 -5.707 229 2HG GLU 30 2HG GLU 30 -12.677 0.336 -5.010 230 H LEU 31 H LEU 31 -11.210 2.384 -2.126 231 HA LEU 31 HA LEU 31 -13.907 1.521 -1.634 232 1HB LEU 31 1HB LEU 31 -12.178 3.045 0.331 233 2HB LEU 31 2HB LEU 31 -13.407 1.830 0.683 234 HG LEU 31 HG LEU 31 -10.748 1.395 -0.674 235 1HD1 LEU 31 1HD1 LEU 31 -11.933 0.498 1.966 236 2HD1 LEU 31 2HD1 LEU 31 -10.442 -0.164 1.295 237 3HD1 LEU 31 3HD1 LEU 31 -10.534 1.544 1.726 238 1HD2 LEU 31 1HD2 LEU 31 -13.179 -0.378 -0.386 239 2HD2 LEU 31 2HD2 LEU 31 -12.174 -0.106 -1.809 240 3HD2 LEU 31 3HD2 LEU 31 -11.568 -1.087 -0.477 241 H ASP 32 H ASP 32 -12.314 4.654 -1.620 242 HA ASP 32 HA ASP 32 -14.437 6.237 -0.613 243 1HB ASP 32 1HB ASP 32 -12.122 7.037 -0.879 244 2HB ASP 32 2HB ASP 32 -12.290 6.950 -2.629 245 H LYS 33 H LYS 33 -13.698 5.160 -3.929 246 HA LYS 33 HA LYS 33 -15.680 6.711 -5.261 247 1HB LYS 33 1HB LYS 33 -13.864 5.303 -6.344 248 2HB LYS 33 2HB LYS 33 -14.854 3.886 -5.996 249 1HG LYS 33 1HG LYS 33 -16.741 5.001 -7.246 250 2HG LYS 33 2HG LYS 33 -15.601 6.252 -7.736 251 1HD LYS 33 1HD LYS 33 -15.337 3.285 -8.319 252 2HD LYS 33 2HD LYS 33 -15.794 4.527 -9.483 253 1HE LYS 33 1HE LYS 33 -13.121 4.061 -8.176 254 2HE LYS 33 2HE LYS 33 -13.496 4.257 -9.886 255 1HZ LYS 33 1HZ LYS 33 -14.090 6.575 -9.425 256 2HZ LYS 33 2HZ LYS 33 -13.620 6.371 -7.805 257 3HZ LYS 33 3HZ LYS 33 -12.468 6.242 -9.043 258 H TYR 34 H TYR 34 -15.881 3.420 -3.855 259 HA TYR 34 HA TYR 34 -18.701 3.140 -4.434 260 1HB TYR 34 1HB TYR 34 -16.868 1.694 -2.504 261 2HB TYR 34 2HB TYR 34 -18.564 1.266 -2.731 262 HD1 TYR 34 HD1 TYR 34 -15.224 0.852 -3.986 263 HD2 TYR 34 HD2 TYR 34 -19.363 0.777 -5.132 264 HE1 TYR 34 HE1 TYR 34 -14.643 -0.468 -6.004 265 HE2 TYR 34 HE2 TYR 34 -18.782 -0.542 -7.150 266 HH TYR 34 HH TYR 34 -15.739 -2.016 -7.566 267 H GLY 35 H GLY 35 -16.852 4.483 -1.764 268 1HA GLY 35 1HA GLY 35 -19.361 5.602 -0.644 269 2HA GLY 35 2HA GLY 35 -17.725 6.112 -0.229 270 H VAL 36 H VAL 36 -17.065 3.100 0.003 271 HA VAL 36 HA VAL 36 -18.586 1.913 2.063 272 HB VAL 36 HB VAL 36 -15.583 1.618 2.048 273 1HG1 VAL 36 1HG1 VAL 36 -17.909 -0.323 2.272 274 2HG1 VAL 36 2HG1 VAL 36 -16.206 -0.772 2.345 275 3HG1 VAL 36 3HG1 VAL 36 -16.903 0.250 3.601 276 1HG2 VAL 36 1HG2 VAL 36 -17.510 0.779 -0.128 277 2HG2 VAL 36 2HG2 VAL 36 -15.998 1.670 -0.300 278 3HG2 VAL 36 3HG2 VAL 36 -15.969 -0.039 0.127 279 H SER 37 H SER 37 -17.722 1.618 4.395 280 HA SER 37 HA SER 37 -17.761 4.123 5.736 281 1HB SER 37 1HB SER 37 -18.391 2.007 6.832 282 2HB SER 37 2HB SER 37 -16.722 1.453 6.732 283 HG SER 37 HG SER 37 -17.863 2.982 8.587 284 H ASP 38 H ASP 38 -16.135 5.448 6.503 285 HA ASP 38 HA ASP 38 -13.590 5.416 5.198 286 1HB ASP 38 1HB ASP 38 -14.584 6.890 7.650 287 2HB ASP 38 2HB ASP 38 -13.000 7.173 6.926 288 H TYR 39 H TYR 39 -14.741 3.657 7.885 289 HA TYR 39 HA TYR 39 -12.399 3.439 9.482 290 1HB TYR 39 1HB TYR 39 -14.525 2.587 10.281 291 2HB TYR 39 2HB TYR 39 -14.610 1.436 8.948 292 HD1 TYR 39 HD1 TYR 39 -12.971 2.245 12.147 293 HD2 TYR 39 HD2 TYR 39 -13.195 -0.544 8.890 294 HE1 TYR 39 HE1 TYR 39 -11.691 0.588 13.476 295 HE2 TYR 39 HE2 TYR 39 -11.916 -2.199 10.216 296 HH TYR 39 HH TYR 39 -11.603 -2.552 12.905 297 H TYR 40 H TYR 40 -13.492 1.368 6.768 298 HA TYR 40 HA TYR 40 -11.252 -0.386 6.792 299 1HB TYR 40 1HB TYR 40 -12.899 0.531 4.412 300 2HB TYR 40 2HB TYR 40 -11.856 -0.890 4.454 301 HD1 TYR 40 HD1 TYR 40 -12.373 -2.754 6.094 302 HD2 TYR 40 HD2 TYR 40 -15.099 0.470 5.304 303 HE1 TYR 40 HE1 TYR 40 -14.230 -4.084 7.064 304 HE2 TYR 40 HE2 TYR 40 -16.954 -0.857 6.273 305 HH TYR 40 HH TYR 40 -16.905 -2.974 8.161 306 H LYS 41 H LYS 41 -11.737 2.746 5.181 307 HA LYS 41 HA LYS 41 -9.349 2.768 3.629 308 1HB LYS 41 1HB LYS 41 -10.769 5.080 4.998 309 2HB LYS 41 2HB LYS 41 -9.625 5.220 3.660 310 1HG LYS 41 1HG LYS 41 -11.110 3.866 2.241 311 2HG LYS 41 2HG LYS 41 -12.253 3.723 3.577 312 1HD LYS 41 1HD LYS 41 -12.184 6.353 3.572 313 2HD LYS 41 2HD LYS 41 -11.549 6.152 1.936 314 1HE LYS 41 1HE LYS 41 -13.505 4.786 1.340 315 2HE LYS 41 2HE LYS 41 -14.132 4.971 2.977 316 1HZ LYS 41 1HZ LYS 41 -13.541 7.263 1.189 317 2HZ LYS 41 2HZ LYS 41 -15.077 6.543 1.304 318 3HZ LYS 41 3HZ LYS 41 -14.382 7.292 2.661 319 H ASN 42 H ASN 42 -10.102 3.817 6.903 320 HA ASN 42 HA ASN 42 -7.521 4.807 7.573 321 1HB ASN 42 1HB ASN 42 -9.689 3.590 9.301 322 2HB ASN 42 2HB ASN 42 -8.225 4.320 9.960 323 2HD2 ASN 42 2HD2 ASN 42 -7.937 6.524 8.165 324 1HD2 ASN 42 1HD2 ASN 42 -9.249 7.579 8.389 325 H LEU 43 H LEU 43 -8.906 1.554 7.761 326 HA LEU 43 HA LEU 43 -6.744 0.281 9.099 327 1HB LEU 43 1HB LEU 43 -8.930 -0.808 8.733 328 2HB LEU 43 2HB LEU 43 -8.622 -0.853 7.000 329 HG LEU 43 HG LEU 43 -6.652 -2.301 7.393 330 1HD1 LEU 43 1HD1 LEU 43 -7.444 -1.874 10.272 331 2HD1 LEU 43 2HD1 LEU 43 -6.604 -3.350 9.792 332 3HD1 LEU 43 3HD1 LEU 43 -5.841 -1.785 9.540 333 1HD2 LEU 43 1HD2 LEU 43 -9.069 -3.160 7.127 334 2HD2 LEU 43 2HD2 LEU 43 -7.887 -4.291 7.787 335 3HD2 LEU 43 3HD2 LEU 43 -9.019 -3.473 8.862 336 H ILE 44 H ILE 44 -7.287 0.982 5.659 337 HA ILE 44 HA ILE 44 -5.045 -0.436 4.611 338 HB ILE 44 HB ILE 44 -6.361 2.141 3.694 339 1HG1 ILE 44 1HG1 ILE 44 -7.626 -0.177 3.786 340 2HG1 ILE 44 2HG1 ILE 44 -7.773 0.842 2.359 341 1HG2 ILE 44 1HG2 ILE 44 -4.254 0.410 2.400 342 2HG2 ILE 44 2HG2 ILE 44 -5.294 1.476 1.457 343 3HG2 ILE 44 3HG2 ILE 44 -4.220 2.150 2.682 344 1HD1 ILE 44 1HD1 ILE 44 -5.599 -1.240 2.501 345 2HD1 ILE 44 2HD1 ILE 44 -7.241 -1.696 2.044 346 3HD1 ILE 44 3HD1 ILE 44 -6.355 -0.516 1.083 347 H ASN 45 H ASN 45 -5.376 2.820 5.961 348 HA ASN 45 HA ASN 45 -2.779 3.800 5.402 349 1HB ASN 45 1HB ASN 45 -4.733 5.104 6.361 350 2HB ASN 45 2HB ASN 45 -4.371 4.359 7.918 351 2HD2 ASN 45 2HD2 ASN 45 -3.311 5.932 9.146 352 1HD2 ASN 45 1HD2 ASN 45 -2.026 6.891 8.588 353 H ASN 46 H ASN 46 -3.919 1.623 7.935 354 HA ASN 46 HA ASN 46 -1.309 1.677 9.314 355 1HB ASN 46 1HB ASN 46 -3.875 0.143 9.801 356 2HB ASN 46 2HB ASN 46 -2.425 -0.044 10.788 357 2HD2 ASN 46 2HD2 ASN 46 -1.532 2.631 10.946 358 1HD2 ASN 46 1HD2 ASN 46 -2.691 3.561 11.765 359 H ALA 47 H ALA 47 -2.341 0.236 6.546 360 HA ALA 47 HA ALA 47 -1.631 -2.501 6.850 361 1HB ALA 47 1HB ALA 47 -2.735 -1.316 4.839 362 2HB ALA 47 2HB ALA 47 -1.591 -2.611 4.487 363 3HB ALA 47 3HB ALA 47 -1.094 -0.925 4.332 364 H LYS 48 H LYS 48 0.333 -3.562 6.785 365 HA LYS 48 HA LYS 48 2.735 -1.905 7.193 366 1HB LYS 48 1HB LYS 48 3.805 -4.033 7.795 367 2HB LYS 48 2HB LYS 48 2.281 -3.839 8.661 368 1HG LYS 48 1HG LYS 48 1.163 -5.212 6.881 369 2HG LYS 48 2HG LYS 48 2.754 -5.514 6.179 370 1HD LYS 48 1HD LYS 48 3.494 -6.479 8.355 371 2HD LYS 48 2HD LYS 48 1.856 -6.263 8.975 372 1HE LYS 48 1HE LYS 48 2.538 -7.884 6.507 373 2HE LYS 48 2HE LYS 48 2.290 -8.578 8.111 374 1HZ LYS 48 1HZ LYS 48 0.092 -7.218 7.984 375 2HZ LYS 48 2HZ LYS 48 0.346 -7.319 6.308 376 3HZ LYS 48 3HZ LYS 48 0.201 -8.736 7.229 377 H THR 49 H THR 49 1.361 -3.902 4.639 378 HA THR 49 HA THR 49 3.624 -3.107 2.897 379 HB THR 49 HB THR 49 4.247 -5.294 3.971 380 HG1 THR 49 HG1 THR 49 4.288 -6.312 1.661 381 1HG2 THR 49 1HG2 THR 49 1.832 -6.109 3.999 382 2HG2 THR 49 2HG2 THR 49 2.024 -6.441 2.277 383 3HG2 THR 49 3HG2 THR 49 3.031 -7.282 3.453 384 H VAL 50 H VAL 50 3.198 -3.944 0.583 385 HA VAL 50 HA VAL 50 0.607 -3.022 -0.250 386 HB VAL 50 HB VAL 50 1.304 -3.635 -2.494 387 1HG1 VAL 50 1HG1 VAL 50 2.367 -1.651 -1.458 388 2HG1 VAL 50 2HG1 VAL 50 3.681 -2.671 -0.874 389 3HG1 VAL 50 3HG1 VAL 50 3.446 -2.441 -2.608 390 1HG2 VAL 50 1HG2 VAL 50 3.368 -5.287 -1.023 391 2HG2 VAL 50 2HG2 VAL 50 2.185 -5.833 -2.211 392 3HG2 VAL 50 3HG2 VAL 50 3.556 -4.847 -2.721 393 H GLU 51 H GLU 51 1.978 -6.286 0.158 394 HA GLU 51 HA GLU 51 -0.139 -7.707 -1.103 395 1HB GLU 51 1HB GLU 51 1.983 -8.780 -0.416 396 2HB GLU 51 2HB GLU 51 1.540 -8.563 1.277 397 1HG GLU 51 1HG GLU 51 -0.458 -9.977 0.941 398 2HG GLU 51 2HG GLU 51 -0.018 -10.193 -0.753 399 H GLY 52 H GLY 52 0.217 -6.504 2.214 400 1HA GLY 52 1HA GLY 52 -1.380 -6.292 3.924 401 2HA GLY 52 2HA GLY 52 -2.229 -7.660 3.197 402 H VAL 53 H VAL 53 -1.402 -4.560 1.674 403 HA VAL 53 HA VAL 53 -3.992 -3.358 1.949 404 HB VAL 53 HB VAL 53 -1.743 -2.919 -0.034 405 1HG1 VAL 53 1HG1 VAL 53 -4.397 -1.515 0.289 406 2HG1 VAL 53 2HG1 VAL 53 -2.998 -0.692 -0.402 407 3HG1 VAL 53 3HG1 VAL 53 -3.657 -2.126 -1.189 408 1HG2 VAL 53 1HG2 VAL 53 -2.700 -1.476 2.454 409 2HG2 VAL 53 2HG2 VAL 53 -1.149 -2.278 2.215 410 3HG2 VAL 53 3HG2 VAL 53 -1.519 -0.799 1.333 411 H LYS 54 H LYS 54 -2.490 -5.123 -0.780 412 HA LYS 54 HA LYS 54 -4.773 -5.018 -2.484 413 1HB LYS 54 1HB LYS 54 -2.530 -5.599 -3.302 414 2HB LYS 54 2HB LYS 54 -2.572 -7.099 -2.373 415 1HG LYS 54 1HG LYS 54 -4.400 -7.952 -3.674 416 2HG LYS 54 2HG LYS 54 -4.650 -6.393 -4.454 417 1HD LYS 54 1HD LYS 54 -3.469 -7.780 -6.025 418 2HD LYS 54 2HD LYS 54 -2.315 -6.599 -5.410 419 1HE LYS 54 1HE LYS 54 -1.273 -8.196 -3.991 420 2HE LYS 54 2HE LYS 54 -2.602 -9.341 -4.170 421 1HZ LYS 54 1HZ LYS 54 -0.905 -8.453 -6.432 422 2HZ LYS 54 2HZ LYS 54 -0.580 -9.846 -5.515 423 3HZ LYS 54 3HZ LYS 54 -2.018 -9.732 -6.413 424 H ALA 55 H ALA 55 -3.743 -7.552 -0.178 425 HA ALA 55 HA ALA 55 -5.965 -9.298 -0.774 426 1HB ALA 55 1HB ALA 55 -4.304 -9.161 1.758 427 2HB ALA 55 2HB ALA 55 -5.277 -10.528 1.214 428 3HB ALA 55 3HB ALA 55 -3.843 -10.051 0.306 429 H LEU 56 H LEU 56 -5.607 -6.514 1.253 430 HA LEU 56 HA LEU 56 -7.801 -7.091 3.014 431 1HB LEU 56 1HB LEU 56 -6.135 -5.491 3.679 432 2HB LEU 56 2HB LEU 56 -6.468 -4.485 2.274 433 HG LEU 56 HG LEU 56 -8.702 -3.978 3.105 434 1HD1 LEU 56 1HD1 LEU 56 -7.997 -6.069 5.170 435 2HD1 LEU 56 2HD1 LEU 56 -9.205 -4.834 5.519 436 3HD1 LEU 56 3HD1 LEU 56 -9.449 -5.946 4.177 437 1HD2 LEU 56 1HD2 LEU 56 -6.609 -2.775 4.012 438 2HD2 LEU 56 2HD2 LEU 56 -8.088 -2.608 4.956 439 3HD2 LEU 56 3HD2 LEU 56 -6.834 -3.735 5.473 440 H ILE 57 H ILE 57 -7.546 -5.597 -0.162 441 HA ILE 57 HA ILE 57 -10.339 -4.685 -0.114 442 HB ILE 57 HB ILE 57 -8.610 -5.078 -2.566 443 1HG1 ILE 57 1HG1 ILE 57 -7.475 -3.665 -0.721 444 2HG1 ILE 57 2HG1 ILE 57 -7.650 -2.912 -2.299 445 1HG2 ILE 57 1HG2 ILE 57 -10.986 -3.326 -1.900 446 2HG2 ILE 57 2HG2 ILE 57 -10.013 -3.124 -3.357 447 3HG2 ILE 57 3HG2 ILE 57 -10.899 -4.622 -3.087 448 1HD1 ILE 57 1HD1 ILE 57 -9.744 -2.512 -0.163 449 2HD1 ILE 57 2HD1 ILE 57 -8.300 -1.517 -0.212 450 3HD1 ILE 57 3HD1 ILE 57 -9.412 -1.520 -1.578 451 H ASP 58 H ASP 58 -8.469 -7.440 -1.272 452 HA ASP 58 HA ASP 58 -10.599 -8.649 -2.792 453 1HB ASP 58 1HB ASP 58 -8.140 -9.828 -1.475 454 2HB ASP 58 2HB ASP 58 -9.244 -10.766 -2.482 455 H GLU 59 H GLU 59 -9.596 -8.955 0.609 456 HA GLU 59 HA GLU 59 -11.542 -11.019 1.180 457 1HB GLU 59 1HB GLU 59 -10.930 -10.736 3.492 458 2HB GLU 59 2HB GLU 59 -9.450 -10.541 2.553 459 1HG GLU 59 1HG GLU 59 -9.824 -8.086 2.603 460 2HG GLU 59 2HG GLU 59 -11.157 -8.341 3.723 461 H ILE 60 H ILE 60 -11.500 -7.494 1.349 462 HA ILE 60 HA ILE 60 -14.054 -7.262 2.663 463 HB ILE 60 HB ILE 60 -12.436 -5.330 0.984 464 1HG1 ILE 60 1HG1 ILE 60 -13.060 -5.296 3.945 465 2HG1 ILE 60 2HG1 ILE 60 -11.643 -6.108 3.284 466 1HG2 ILE 60 1HG2 ILE 60 -15.066 -4.937 2.433 467 2HG2 ILE 60 2HG2 ILE 60 -13.998 -3.596 2.016 468 3HG2 ILE 60 3HG2 ILE 60 -14.704 -4.591 0.742 469 1HD1 ILE 60 1HD1 ILE 60 -10.983 -3.944 2.196 470 2HD1 ILE 60 2HD1 ILE 60 -12.327 -3.166 3.031 471 3HD1 ILE 60 3HD1 ILE 60 -10.997 -3.864 3.957 472 H LEU 61 H LEU 61 -13.031 -7.275 -0.740 473 HA LEU 61 HA LEU 61 -15.652 -6.741 -1.801 474 1HB LEU 61 1HB LEU 61 -13.172 -8.003 -2.991 475 2HB LEU 61 2HB LEU 61 -14.652 -7.776 -3.923 476 HG LEU 61 HG LEU 61 -13.174 -5.547 -2.489 477 1HD1 LEU 61 1HD1 LEU 61 -13.130 -6.415 -5.393 478 2HD1 LEU 61 2HD1 LEU 61 -12.455 -4.897 -4.800 479 3HD1 LEU 61 3HD1 LEU 61 -11.773 -6.435 -4.269 480 1HD2 LEU 61 1HD2 LEU 61 -15.642 -5.694 -4.209 481 2HD2 LEU 61 2HD2 LEU 61 -15.325 -4.696 -2.791 482 3HD2 LEU 61 3HD2 LEU 61 -14.614 -4.267 -4.341 483 H ALA 62 H ALA 62 -13.907 -9.739 -1.042 484 HA ALA 62 HA ALA 62 -16.102 -11.410 -2.029 485 1HB ALA 62 1HB ALA 62 -13.703 -12.143 -2.041 486 2HB ALA 62 2HB ALA 62 -13.753 -12.192 -0.279 487 3HB ALA 62 3HB ALA 62 -14.776 -13.276 -1.221 488 H ALA 63 H ALA 63 -16.470 -9.380 0.260 489 HA ALA 63 HA ALA 63 -17.894 -11.277 2.081 490 1HB ALA 63 1HB ALA 63 -16.083 -9.009 2.965 491 2HB ALA 63 2HB ALA 63 -17.138 -9.931 4.034 492 3HB ALA 63 3HB ALA 63 -15.797 -10.731 3.215 493 H LEU 64 H LEU 64 -18.489 -9.113 -0.089 494 HA LEU 64 HA LEU 64 -19.864 -7.004 1.306 495 1HB LEU 64 1HB LEU 64 -20.082 -8.085 -1.514 496 2HB LEU 64 2HB LEU 64 -20.999 -6.687 -0.966 497 HG LEU 64 HG LEU 64 -18.000 -6.787 -0.604 498 1HD1 LEU 64 1HD1 LEU 64 -19.512 -5.911 -3.080 499 2HD1 LEU 64 2HD1 LEU 64 -17.814 -5.552 -2.770 500 3HD1 LEU 64 3HD1 LEU 64 -18.339 -7.223 -2.972 501 1HD2 LEU 64 1HD2 LEU 64 -20.077 -4.584 -0.840 502 2HD2 LEU 64 2HD2 LEU 64 -19.073 -4.969 0.557 503 3HD2 LEU 64 3HD2 LEU 64 -18.344 -4.279 -0.889 504 HA PRO 65 HA PRO 65 -23.542 -9.181 2.568 505 1HB PRO 65 1HB PRO 65 -25.443 -7.165 1.880 506 2HB PRO 65 2HB PRO 65 -24.649 -7.388 3.443 507 1HG PRO 65 1HG PRO 65 -24.108 -5.377 1.353 508 2HG PRO 65 2HG PRO 65 -23.680 -5.350 3.069 509 1HD PRO 65 1HD PRO 65 -21.872 -5.774 0.967 510 2HD PRO 65 2HD PRO 65 -21.579 -6.210 2.668 No H/Q in entry = 510 Start of MODEL 27 1 H1 MET 1 H1 MET 1 22.848 -4.428 -16.647 2 H2 MET 1 H2 MET 1 24.480 -4.616 -16.213 3 H3 MET 1 H3 MET 1 24.069 -3.711 -17.588 4 HA MET 1 HA MET 1 23.475 -5.577 -18.819 5 1HB MET 1 1HB MET 1 25.826 -6.230 -17.022 6 2HB MET 1 2HB MET 1 25.411 -7.159 -18.465 7 1HG MET 1 1HG MET 1 25.626 -5.133 -19.846 8 2HG MET 1 2HG MET 1 26.033 -4.191 -18.411 9 1HE MET 1 1HE MET 1 28.007 -3.343 -19.651 10 2HE MET 1 2HE MET 1 29.422 -4.269 -20.173 11 3HE MET 1 3HE MET 1 27.912 -4.379 -21.073 12 H LYS 2 H LYS 2 23.865 -8.259 -18.415 13 HA LYS 2 HA LYS 2 21.485 -9.065 -17.063 14 1HB LYS 2 1HB LYS 2 22.623 -10.401 -18.842 15 2HB LYS 2 2HB LYS 2 23.911 -10.779 -17.698 16 1HG LYS 2 1HG LYS 2 22.255 -11.829 -16.188 17 2HG LYS 2 2HG LYS 2 20.975 -11.456 -17.341 18 1HD LYS 2 1HD LYS 2 22.096 -12.851 -19.043 19 2HD LYS 2 2HD LYS 2 23.377 -13.226 -17.889 20 1HE LYS 2 1HE LYS 2 20.440 -13.860 -17.477 21 2HE LYS 2 2HE LYS 2 21.658 -15.024 -17.998 22 1HZ LYS 2 1HZ LYS 2 22.897 -14.334 -15.907 23 2HZ LYS 2 2HZ LYS 2 21.436 -13.630 -15.402 24 3HZ LYS 2 3HZ LYS 2 21.518 -15.299 -15.703 25 H ALA 3 H ALA 3 24.881 -9.020 -16.028 26 HA ALA 3 HA ALA 3 24.351 -10.268 -13.465 27 1HB ALA 3 1HB ALA 3 26.710 -8.474 -14.048 28 2HB ALA 3 2HB ALA 3 26.636 -9.890 -12.998 29 3HB ALA 3 3HB ALA 3 26.599 -10.084 -14.752 30 H ILE 4 H ILE 4 24.277 -9.203 -11.398 31 HA ILE 4 HA ILE 4 23.871 -6.237 -11.442 32 HB ILE 4 HB ILE 4 21.991 -6.697 -9.722 33 1HG1 ILE 4 1HG1 ILE 4 22.735 -9.267 -9.800 34 2HG1 ILE 4 2HG1 ILE 4 21.056 -8.816 -9.537 35 1HG2 ILE 4 1HG2 ILE 4 21.697 -7.284 -12.676 36 2HG2 ILE 4 2HG2 ILE 4 20.322 -7.077 -11.591 37 3HG2 ILE 4 3HG2 ILE 4 21.451 -5.747 -11.847 38 1HD1 ILE 4 1HD1 ILE 4 22.047 -9.268 -12.347 39 2HD1 ILE 4 2HD1 ILE 4 21.622 -10.641 -11.328 40 3HD1 ILE 4 3HD1 ILE 4 20.415 -9.415 -11.708 41 H PHE 5 H PHE 5 26.137 -6.492 -10.562 42 HA PHE 5 HA PHE 5 26.677 -7.800 -8.089 43 1HB PHE 5 1HB PHE 5 27.945 -5.370 -9.382 44 2HB PHE 5 2HB PHE 5 28.586 -6.141 -7.930 45 HD1 PHE 5 HD1 PHE 5 29.552 -8.393 -8.013 46 HD2 PHE 5 HD2 PHE 5 28.037 -6.482 -11.550 47 HE1 PHE 5 HE1 PHE 5 30.707 -10.079 -9.420 48 HE2 PHE 5 HE2 PHE 5 29.191 -8.169 -12.955 49 HZ PHE 5 HZ PHE 5 30.526 -9.966 -11.891 50 H VAL 6 H VAL 6 25.764 -4.424 -8.778 51 HA VAL 6 HA VAL 6 24.495 -4.254 -6.109 52 HB VAL 6 HB VAL 6 25.680 -2.067 -5.679 53 1HG1 VAL 6 1HG1 VAL 6 26.345 -4.295 -4.667 54 2HG1 VAL 6 2HG1 VAL 6 27.569 -4.423 -5.930 55 3HG1 VAL 6 3HG1 VAL 6 27.646 -3.109 -4.757 56 1HG2 VAL 6 1HG2 VAL 6 26.397 -1.677 -8.021 57 2HG2 VAL 6 2HG2 VAL 6 27.771 -1.651 -6.916 58 3HG2 VAL 6 3HG2 VAL 6 27.470 -3.073 -7.916 59 H LEU 7 H LEU 7 22.922 -2.555 -6.014 60 HA LEU 7 HA LEU 7 22.555 -0.850 -8.388 61 1HB LEU 7 1HB LEU 7 20.305 -1.621 -8.882 62 2HB LEU 7 2HB LEU 7 21.407 -2.990 -8.969 63 HG LEU 7 HG LEU 7 19.668 -2.310 -6.572 64 1HD1 LEU 7 1HD1 LEU 7 18.481 -3.101 -8.669 65 2HD1 LEU 7 2HD1 LEU 7 19.385 -4.610 -8.513 66 3HD1 LEU 7 3HD1 LEU 7 18.259 -4.120 -7.246 67 1HD2 LEU 7 1HD2 LEU 7 21.753 -4.410 -7.133 68 2HD2 LEU 7 2HD2 LEU 7 21.433 -3.523 -5.642 69 3HD2 LEU 7 3HD2 LEU 7 20.370 -4.839 -6.126 70 H ASN 8 H ASN 8 21.554 -1.822 -5.149 71 HA ASN 8 HA ASN 8 20.846 1.018 -4.603 72 1HB ASN 8 1HB ASN 8 19.078 -1.375 -4.040 73 2HB ASN 8 2HB ASN 8 18.856 0.195 -3.265 74 2HD2 ASN 8 2HD2 ASN 8 19.240 2.014 -5.287 75 1HD2 ASN 8 1HD2 ASN 8 18.150 1.749 -6.561 76 H ALA 9 H ALA 9 22.064 1.616 -2.914 77 HA ALA 9 HA ALA 9 23.491 -0.269 -1.271 78 1HB ALA 9 1HB ALA 9 24.441 1.920 -1.644 79 2HB ALA 9 2HB ALA 9 23.010 2.708 -0.981 80 3HB ALA 9 3HB ALA 9 24.076 1.784 0.075 81 H GLN 10 H GLN 10 20.529 1.627 -0.780 82 HA GLN 10 HA GLN 10 20.213 1.107 1.996 83 1HB GLN 10 1HB GLN 10 17.798 1.562 1.598 84 2HB GLN 10 2HB GLN 10 18.840 2.762 0.837 85 1HG GLN 10 1HG GLN 10 18.663 1.484 -1.308 86 2HG GLN 10 2HG GLN 10 17.505 0.407 -0.527 87 2HE2 GLN 10 2HE2 GLN 10 16.082 1.367 -2.376 88 1HE2 GLN 10 1HE2 GLN 10 15.240 2.797 -2.019 89 H HIS 11 H HIS 11 19.220 -0.818 -0.831 90 HA HIS 11 HA HIS 11 19.154 -3.215 0.869 91 1HB HIS 11 1HB HIS 11 16.661 -2.285 -0.584 92 2HB HIS 11 2HB HIS 11 16.845 -3.823 0.257 93 HD1 HIS 11 HD1 HIS 11 17.386 -3.608 2.911 94 HD2 HIS 11 HD2 HIS 11 15.869 -0.193 1.064 95 HE1 HIS 11 HE1 HIS 11 16.555 -2.099 4.767 96 H ASP 12 H ASP 12 18.512 -5.161 -0.610 97 HA ASP 12 HA ASP 12 19.952 -4.786 -3.196 98 1HB ASP 12 1HB ASP 12 20.219 -7.212 -3.165 99 2HB ASP 12 2HB ASP 12 20.743 -6.540 -1.619 100 H GLU 13 H GLU 13 16.801 -4.651 -2.217 101 HA GLU 13 HA GLU 13 15.864 -5.537 -4.898 102 1HB GLU 13 1HB GLU 13 13.997 -6.823 -3.901 103 2HB GLU 13 2HB GLU 13 15.565 -7.513 -3.483 104 1HG GLU 13 1HG GLU 13 15.494 -6.355 -1.302 105 2HG GLU 13 2HG GLU 13 13.923 -5.670 -1.718 106 H ALA 14 H ALA 14 15.987 -3.055 -2.847 107 HA ALA 14 HA ALA 14 13.128 -2.270 -2.988 108 1HB ALA 14 1HB ALA 14 14.424 -1.747 -0.947 109 2HB ALA 14 2HB ALA 14 15.521 -0.752 -1.907 110 3HB ALA 14 3HB ALA 14 13.831 -0.284 -1.730 111 H VAL 15 H VAL 15 12.923 -2.070 -5.303 112 HA VAL 15 HA VAL 15 14.670 -0.380 -6.863 113 HB VAL 15 HB VAL 15 11.848 -1.391 -7.323 114 1HG1 VAL 15 1HG1 VAL 15 13.669 0.252 -9.098 115 2HG1 VAL 15 2HG1 VAL 15 12.344 -0.720 -9.737 116 3HG1 VAL 15 3HG1 VAL 15 12.007 0.609 -8.628 117 1HG2 VAL 15 1HG2 VAL 15 14.558 -2.162 -8.451 118 2HG2 VAL 15 2HG2 VAL 15 13.591 -3.112 -7.322 119 3HG2 VAL 15 3HG2 VAL 15 13.019 -2.849 -8.969 120 H ASP 16 H ASP 16 11.584 0.142 -5.179 121 HA ASP 16 HA ASP 16 12.158 3.013 -5.009 122 1HB ASP 16 1HB ASP 16 10.049 3.708 -6.090 123 2HB ASP 16 2HB ASP 16 11.090 2.854 -7.229 124 H ALA 17 H ALA 17 10.553 4.106 -3.596 125 HA ALA 17 HA ALA 17 9.163 2.179 -1.752 126 1HB ALA 17 1HB ALA 17 10.523 4.820 -1.143 127 2HB ALA 17 2HB ALA 17 11.075 3.220 -0.650 128 3HB ALA 17 3HB ALA 17 9.586 3.883 0.022 129 H ASN 18 H ASN 18 8.775 4.727 -3.943 130 HA ASN 18 HA ASN 18 6.571 6.111 -2.701 131 1HB ASN 18 1HB ASN 18 7.992 6.982 -4.607 132 2HB ASN 18 2HB ASN 18 7.135 5.862 -5.665 133 2HD2 ASN 18 2HD2 ASN 18 5.533 7.514 -2.948 134 1HD2 ASN 18 1HD2 ASN 18 4.542 8.494 -3.914 135 H SER 19 H SER 19 6.850 3.102 -4.371 136 HA SER 19 HA SER 19 4.234 2.840 -5.447 137 1HB SER 19 1HB SER 19 6.095 0.742 -4.303 138 2HB SER 19 2HB SER 19 4.632 0.377 -5.215 139 HG SER 19 HG SER 19 5.684 1.934 -6.805 140 H LEU 20 H LEU 20 5.456 2.174 -2.166 141 HA LEU 20 HA LEU 20 3.082 0.972 -1.149 142 1HB LEU 20 1HB LEU 20 5.264 2.603 0.167 143 2HB LEU 20 2HB LEU 20 3.927 1.938 1.094 144 HG LEU 20 HG LEU 20 6.141 0.585 0.952 145 1HD1 LEU 20 1HD1 LEU 20 3.462 -0.694 0.360 146 2HD1 LEU 20 2HD1 LEU 20 4.881 -1.559 0.943 147 3HD1 LEU 20 3HD1 LEU 20 4.128 -0.320 1.945 148 1HD2 LEU 20 1HD2 LEU 20 6.343 0.762 -1.542 149 2HD2 LEU 20 2HD2 LEU 20 6.385 -0.896 -0.951 150 3HD2 LEU 20 3HD2 LEU 20 4.921 -0.271 -1.697 151 H ALA 21 H ALA 21 4.096 4.402 -1.071 152 HA ALA 21 HA ALA 21 1.744 5.360 0.181 153 1HB ALA 21 1HB ALA 21 3.491 6.796 -1.837 154 2HB ALA 21 2HB ALA 21 3.804 6.715 -0.103 155 3HB ALA 21 3HB ALA 21 2.378 7.560 -0.705 156 H GLU 22 H GLU 22 2.541 5.171 -3.300 157 HA GLU 22 HA GLU 22 0.013 6.159 -4.199 158 1HB GLU 22 1HB GLU 22 2.077 5.929 -5.617 159 2HB GLU 22 2HB GLU 22 1.817 4.184 -5.627 160 1HG GLU 22 1HG GLU 22 -0.406 4.519 -6.640 161 2HG GLU 22 2HG GLU 22 -0.144 6.263 -6.638 162 H ALA 23 H ALA 23 1.157 2.867 -3.499 163 HA ALA 23 HA ALA 23 -1.123 1.473 -4.470 164 1HB ALA 23 1HB ALA 23 0.606 0.743 -2.086 165 2HB ALA 23 2HB ALA 23 1.004 0.379 -3.765 166 3HB ALA 23 3HB ALA 23 -0.411 -0.359 -3.015 167 H LYS 24 H LYS 24 -0.459 2.898 -1.265 168 HA LYS 24 HA LYS 24 -2.972 2.029 -0.119 169 1HB LYS 24 1HB LYS 24 -1.056 4.260 0.639 170 2HB LYS 24 2HB LYS 24 -2.453 3.788 1.611 171 1HG LYS 24 1HG LYS 24 -1.560 1.501 1.809 172 2HG LYS 24 2HG LYS 24 -0.162 1.953 0.830 173 1HD LYS 24 1HD LYS 24 0.468 3.645 2.510 174 2HD LYS 24 2HD LYS 24 -0.923 3.193 3.491 175 1HE LYS 24 1HE LYS 24 -0.038 0.921 3.744 176 2HE LYS 24 2HE LYS 24 1.330 1.322 2.704 177 1HZ LYS 24 1HZ LYS 24 1.503 3.271 4.490 178 2HZ LYS 24 2HZ LYS 24 0.819 2.062 5.468 179 3HZ LYS 24 3HZ LYS 24 2.291 1.777 4.675 180 H VAL 25 H VAL 25 -1.873 4.993 -1.757 181 HA VAL 25 HA VAL 25 -4.284 6.491 -1.368 182 HB VAL 25 HB VAL 25 -2.139 6.646 -3.494 183 1HG1 VAL 25 1HG1 VAL 25 -4.532 8.436 -3.002 184 2HG1 VAL 25 2HG1 VAL 25 -3.116 8.945 -3.923 185 3HG1 VAL 25 3HG1 VAL 25 -4.104 7.607 -4.498 186 1HG2 VAL 25 1HG2 VAL 25 -1.568 7.197 -1.100 187 2HG2 VAL 25 2HG2 VAL 25 -1.361 8.546 -2.216 188 3HG2 VAL 25 3HG2 VAL 25 -2.777 8.476 -1.169 189 H LEU 26 H LEU 26 -3.192 4.485 -4.131 190 HA LEU 26 HA LEU 26 -5.541 4.824 -5.706 191 1HB LEU 26 1HB LEU 26 -3.560 2.534 -5.529 192 2HB LEU 26 2HB LEU 26 -4.841 2.608 -6.738 193 HG LEU 26 HG LEU 26 -2.726 4.747 -6.341 194 1HD1 LEU 26 1HD1 LEU 26 -2.934 2.548 -8.420 195 2HD1 LEU 26 2HD1 LEU 26 -1.748 3.853 -8.437 196 3HD1 LEU 26 3HD1 LEU 26 -1.725 2.656 -7.142 197 1HD2 LEU 26 1HD2 LEU 26 -5.080 4.422 -8.188 198 2HD2 LEU 26 2HD2 LEU 26 -4.442 5.882 -7.432 199 3HD2 LEU 26 3HD2 LEU 26 -3.625 5.188 -8.827 200 H ALA 27 H ALA 27 -4.737 2.429 -3.203 201 HA ALA 27 HA ALA 27 -7.170 0.920 -3.464 202 1HB ALA 27 1HB ALA 27 -5.223 -0.004 -2.308 203 2HB ALA 27 2HB ALA 27 -5.313 1.267 -1.089 204 3HB ALA 27 3HB ALA 27 -6.591 0.058 -1.199 205 H ASN 28 H ASN 28 -6.257 3.733 -1.506 206 HA ASN 28 HA ASN 28 -8.571 3.852 0.148 207 1HB ASN 28 1HB ASN 28 -6.468 5.241 0.393 208 2HB ASN 28 2HB ASN 28 -7.039 6.224 -0.956 209 2HD2 ASN 28 2HD2 ASN 28 -7.558 5.470 2.445 210 1HD2 ASN 28 1HD2 ASN 28 -8.720 6.676 2.725 211 H ARG 29 H ARG 29 -7.956 5.161 -3.099 212 HA ARG 29 HA ARG 29 -10.425 6.594 -3.331 213 1HB ARG 29 1HB ARG 29 -8.559 5.441 -5.419 214 2HB ARG 29 2HB ARG 29 -9.963 6.432 -5.816 215 1HG ARG 29 1HG ARG 29 -9.070 8.265 -4.425 216 2HG ARG 29 2HG ARG 29 -7.664 7.277 -4.028 217 1HD ARG 29 1HD ARG 29 -7.050 8.773 -5.835 218 2HD ARG 29 2HD ARG 29 -7.149 7.135 -6.483 219 HE ARG 29 HE ARG 29 -9.682 8.160 -6.915 220 1HH1 ARG 29 1HH1 ARG 29 -10.247 9.254 -8.809 221 2HH1 ARG 29 2HH1 ARG 29 -9.017 10.047 -9.735 222 1HH2 ARG 29 1HH2 ARG 29 -6.446 9.146 -7.595 223 2HH2 ARG 29 2HH2 ARG 29 -6.869 9.986 -9.049 224 H GLU 30 H GLU 30 -9.592 3.204 -3.931 225 HA GLU 30 HA GLU 30 -11.872 2.518 -5.474 226 1HB GLU 30 1HB GLU 30 -10.252 0.884 -3.515 227 2HB GLU 30 2HB GLU 30 -11.519 0.201 -4.536 228 1HG GLU 30 1HG GLU 30 -10.344 0.989 -6.549 229 2HG GLU 30 2HG GLU 30 -9.072 1.685 -5.543 230 H LEU 31 H LEU 31 -11.469 2.636 -1.947 231 HA LEU 31 HA LEU 31 -13.986 1.505 -1.235 232 1HB LEU 31 1HB LEU 31 -12.724 3.793 0.293 233 2HB LEU 31 2HB LEU 31 -13.641 2.423 0.922 234 HG LEU 31 HG LEU 31 -10.874 2.355 -0.298 235 1HD1 LEU 31 1HD1 LEU 31 -11.991 1.912 2.481 236 2HD1 LEU 31 2HD1 LEU 31 -10.383 1.375 2.012 237 3HD1 LEU 31 3HD1 LEU 31 -10.781 3.091 1.977 238 1HD2 LEU 31 1HD2 LEU 31 -12.762 0.132 0.544 239 2HD2 LEU 31 2HD2 LEU 31 -11.977 0.341 -1.023 240 3HD2 LEU 31 3HD2 LEU 31 -11.022 -0.113 0.388 241 H ASP 32 H ASP 32 -13.063 4.758 -2.180 242 HA ASP 32 HA ASP 32 -15.448 6.119 -1.476 243 1HB ASP 32 1HB ASP 32 -13.356 7.230 -2.172 244 2HB ASP 32 2HB ASP 32 -13.569 6.602 -3.803 245 H LYS 33 H LYS 33 -14.590 4.401 -4.512 246 HA LYS 33 HA LYS 33 -17.000 5.028 -5.898 247 1HB LYS 33 1HB LYS 33 -15.168 2.626 -6.087 248 2HB LYS 33 2HB LYS 33 -16.519 2.899 -7.187 249 1HG LYS 33 1HG LYS 33 -15.557 5.099 -7.807 250 2HG LYS 33 2HG LYS 33 -14.186 4.788 -6.744 251 1HD LYS 33 1HD LYS 33 -14.907 2.820 -8.916 252 2HD LYS 33 2HD LYS 33 -13.947 4.249 -9.293 253 1HE LYS 33 1HE LYS 33 -12.336 3.575 -7.497 254 2HE LYS 33 2HE LYS 33 -13.261 2.088 -7.281 255 1HZ LYS 33 1HZ LYS 33 -12.638 2.568 -10.019 256 2HZ LYS 33 2HZ LYS 33 -11.233 2.490 -9.066 257 3HZ LYS 33 3HZ LYS 33 -12.335 1.197 -9.069 258 H TYR 34 H TYR 34 -16.190 2.181 -3.892 259 HA TYR 34 HA TYR 34 -18.839 1.051 -4.085 260 1HB TYR 34 1HB TYR 34 -16.578 0.591 -2.121 261 2HB TYR 34 2HB TYR 34 -18.071 -0.352 -2.137 262 HD1 TYR 34 HD1 TYR 34 -18.731 -1.552 -4.303 263 HD2 TYR 34 HD2 TYR 34 -14.822 0.094 -3.634 264 HE1 TYR 34 HE1 TYR 34 -17.821 -2.951 -6.139 265 HE2 TYR 34 HE2 TYR 34 -13.915 -1.295 -5.470 266 HH TYR 34 HH TYR 34 -15.214 -2.446 -7.723 267 H GLY 35 H GLY 35 -17.224 3.139 -1.706 268 1HA GLY 35 1HA GLY 35 -19.846 4.085 -0.772 269 2HA GLY 35 2HA GLY 35 -18.275 4.706 -0.263 270 H VAL 36 H VAL 36 -17.260 1.990 0.383 271 HA VAL 36 HA VAL 36 -18.984 0.771 2.340 272 HB VAL 36 HB VAL 36 -16.815 -0.306 3.112 273 1HG1 VAL 36 1HG1 VAL 36 -18.283 -1.321 1.401 274 2HG1 VAL 36 2HG1 VAL 36 -17.455 -0.397 0.149 275 3HG1 VAL 36 3HG1 VAL 36 -16.584 -1.637 1.050 276 1HG2 VAL 36 1HG2 VAL 36 -15.455 1.724 2.302 277 2HG2 VAL 36 2HG2 VAL 36 -14.799 0.131 1.925 278 3HG2 VAL 36 3HG2 VAL 36 -15.642 1.055 0.681 279 H SER 37 H SER 37 -17.537 0.538 4.669 280 HA SER 37 HA SER 37 -18.076 3.067 5.953 281 1HB SER 37 1HB SER 37 -17.305 2.005 7.975 282 2HB SER 37 2HB SER 37 -18.202 0.797 7.060 283 HG SER 37 HG SER 37 -16.336 -0.198 7.581 284 H ASP 38 H ASP 38 -16.570 4.538 6.869 285 HA ASP 38 HA ASP 38 -14.152 4.927 5.317 286 1HB ASP 38 1HB ASP 38 -15.260 6.310 7.772 287 2HB ASP 38 2HB ASP 38 -13.774 6.814 6.966 288 H TYR 39 H TYR 39 -14.892 3.160 8.163 289 HA TYR 39 HA TYR 39 -12.455 3.363 9.605 290 1HB TYR 39 1HB TYR 39 -14.381 2.273 10.589 291 2HB TYR 39 2HB TYR 39 -14.389 1.046 9.321 292 HD1 TYR 39 HD1 TYR 39 -12.722 -0.714 9.252 293 HD2 TYR 39 HD2 TYR 39 -12.677 2.248 12.359 294 HE1 TYR 39 HE1 TYR 39 -11.132 -2.099 10.542 295 HE2 TYR 39 HE2 TYR 39 -11.084 0.859 13.658 296 HH TYR 39 HH TYR 39 -9.920 -2.270 12.391 297 H TYR 40 H TYR 40 -13.362 1.113 6.988 298 HA TYR 40 HA TYR 40 -11.003 -0.452 7.026 299 1HB TYR 40 1HB TYR 40 -12.757 0.275 4.663 300 2HB TYR 40 2HB TYR 40 -11.584 -1.042 4.693 301 HD1 TYR 40 HD1 TYR 40 -11.826 -2.634 6.868 302 HD2 TYR 40 HD2 TYR 40 -14.982 -0.292 5.124 303 HE1 TYR 40 HE1 TYR 40 -13.511 -4.126 7.906 304 HE2 TYR 40 HE2 TYR 40 -16.664 -1.788 6.164 305 HH TYR 40 HH TYR 40 -15.727 -4.305 8.442 306 H LYS 41 H LYS 41 -11.499 2.787 5.723 307 HA LYS 41 HA LYS 41 -9.216 2.723 3.966 308 1HB LYS 41 1HB LYS 41 -9.715 4.933 3.495 309 2HB LYS 41 2HB LYS 41 -11.252 4.465 4.211 310 1HG LYS 41 1HG LYS 41 -10.276 5.278 6.449 311 2HG LYS 41 2HG LYS 41 -8.987 6.005 5.500 312 1HD LYS 41 1HD LYS 41 -11.927 6.544 4.997 313 2HD LYS 41 2HD LYS 41 -10.920 7.554 6.032 314 1HE LYS 41 1HE LYS 41 -9.338 7.797 4.048 315 2HE LYS 41 2HE LYS 41 -10.599 7.053 3.065 316 1HZ LYS 41 1HZ LYS 41 -12.044 8.875 4.269 317 2HZ LYS 41 2HZ LYS 41 -10.547 9.674 4.354 318 3HZ LYS 41 3HZ LYS 41 -11.179 9.220 2.847 319 H ASN 42 H ASN 42 -9.686 3.587 7.355 320 HA ASN 42 HA ASN 42 -7.020 4.562 7.782 321 1HB ASN 42 1HB ASN 42 -9.098 3.439 9.677 322 2HB ASN 42 2HB ASN 42 -7.555 4.100 10.218 323 2HD2 ASN 42 2HD2 ASN 42 -8.155 5.925 7.566 324 1HD2 ASN 42 1HD2 ASN 42 -9.045 7.192 8.261 325 H LEU 43 H LEU 43 -8.527 1.373 8.096 326 HA LEU 43 HA LEU 43 -6.317 0.050 9.285 327 1HB LEU 43 1HB LEU 43 -8.554 -0.963 9.115 328 2HB LEU 43 2HB LEU 43 -8.392 -1.048 7.363 329 HG LEU 43 HG LEU 43 -6.487 -2.579 7.587 330 1HD1 LEU 43 1HD1 LEU 43 -6.846 -1.956 10.514 331 2HD1 LEU 43 2HD1 LEU 43 -6.198 -3.526 10.037 332 3HD1 LEU 43 3HD1 LEU 43 -5.361 -2.049 9.567 333 1HD2 LEU 43 1HD2 LEU 43 -8.990 -3.320 7.736 334 2HD2 LEU 43 2HD2 LEU 43 -7.742 -4.491 8.159 335 3HD2 LEU 43 3HD2 LEU 43 -8.629 -3.648 9.429 336 H ILE 44 H ILE 44 -7.061 0.703 5.855 337 HA ILE 44 HA ILE 44 -4.908 -0.818 4.752 338 HB ILE 44 HB ILE 44 -6.205 1.736 3.748 339 1HG1 ILE 44 1HG1 ILE 44 -6.573 -1.144 2.888 340 2HG1 ILE 44 2HG1 ILE 44 -7.618 -0.337 4.059 341 1HG2 ILE 44 1HG2 ILE 44 -4.289 -0.206 2.428 342 2HG2 ILE 44 2HG2 ILE 44 -5.276 0.945 1.528 343 3HG2 ILE 44 3HG2 ILE 44 -4.059 1.525 2.663 344 1HD1 ILE 44 1HD1 ILE 44 -8.072 1.431 2.335 345 2HD1 ILE 44 2HD1 ILE 44 -7.172 0.458 1.173 346 3HD1 ILE 44 3HD1 ILE 44 -8.657 -0.172 1.881 347 H ASN 45 H ASN 45 -5.071 2.512 5.958 348 HA ASN 45 HA ASN 45 -2.422 3.286 5.268 349 1HB ASN 45 1HB ASN 45 -4.237 4.141 7.543 350 2HB ASN 45 2HB ASN 45 -2.683 4.908 7.203 351 2HD2 ASN 45 2HD2 ASN 45 -2.578 5.184 4.500 352 1HD2 ASN 45 1HD2 ASN 45 -3.907 6.056 3.905 353 H ASN 46 H ASN 46 -3.730 1.463 7.992 354 HA ASN 46 HA ASN 46 -1.276 1.421 9.521 355 1HB ASN 46 1HB ASN 46 -3.725 -0.361 9.535 356 2HB ASN 46 2HB ASN 46 -2.390 -0.543 10.672 357 2HD2 ASN 46 2HD2 ASN 46 -5.073 0.182 11.497 358 1HD2 ASN 46 1HD2 ASN 46 -5.006 1.756 12.132 359 H ALA 47 H ALA 47 -2.372 -0.311 6.727 360 HA ALA 47 HA ALA 47 -0.938 -2.745 7.009 361 1HB ALA 47 1HB ALA 47 -2.586 -2.140 5.168 362 2HB ALA 47 2HB ALA 47 -1.130 -2.974 4.627 363 3HB ALA 47 3HB ALA 47 -1.280 -1.231 4.408 364 H LYS 48 H LYS 48 1.212 -3.191 6.970 365 HA LYS 48 HA LYS 48 3.104 -0.952 6.415 366 1HB LYS 48 1HB LYS 48 3.518 -3.642 7.759 367 2HB LYS 48 2HB LYS 48 4.745 -2.385 7.593 368 1HG LYS 48 1HG LYS 48 3.329 -0.827 8.880 369 2HG LYS 48 2HG LYS 48 2.103 -2.082 9.051 370 1HD LYS 48 1HD LYS 48 3.720 -3.507 10.252 371 2HD LYS 48 2HD LYS 48 4.949 -2.251 10.086 372 1HE LYS 48 1HE LYS 48 3.623 -0.705 11.414 373 2HE LYS 48 2HE LYS 48 2.284 -1.852 11.477 374 1HZ LYS 48 1HZ LYS 48 4.997 -2.311 12.598 375 2HZ LYS 48 2HZ LYS 48 3.614 -1.905 13.499 376 3HZ LYS 48 3HZ LYS 48 3.691 -3.391 12.679 377 H THR 49 H THR 49 1.745 -3.487 4.744 378 HA THR 49 HA THR 49 4.080 -3.597 2.882 379 HB THR 49 HB THR 49 3.806 -6.027 2.629 380 HG1 THR 49 HG1 THR 49 1.996 -6.822 3.283 381 1HG2 THR 49 1HG2 THR 49 5.351 -5.053 4.365 382 2HG2 THR 49 2HG2 THR 49 4.076 -5.306 5.557 383 3HG2 THR 49 3HG2 THR 49 4.795 -6.686 4.728 384 H VAL 50 H VAL 50 3.467 -4.257 0.708 385 HA VAL 50 HA VAL 50 0.942 -3.129 -0.129 386 HB VAL 50 HB VAL 50 1.587 -3.909 -2.377 387 1HG1 VAL 50 1HG1 VAL 50 2.590 -1.839 -1.458 388 2HG1 VAL 50 2HG1 VAL 50 3.932 -2.786 -0.815 389 3HG1 VAL 50 3HG1 VAL 50 3.694 -2.663 -2.557 390 1HG2 VAL 50 1HG2 VAL 50 3.703 -5.396 -0.804 391 2HG2 VAL 50 2HG2 VAL 50 2.529 -6.062 -1.939 392 3HG2 VAL 50 3HG2 VAL 50 3.863 -5.073 -2.530 393 H GLU 51 H GLU 51 2.112 -6.425 0.408 394 HA GLU 51 HA GLU 51 -0.034 -7.821 -0.832 395 1HB GLU 51 1HB GLU 51 1.697 -8.529 1.556 396 2HB GLU 51 2HB GLU 51 0.555 -9.654 0.818 397 1HG GLU 51 1HG GLU 51 1.713 -9.424 -1.345 398 2HG GLU 51 2HG GLU 51 2.854 -8.293 -0.619 399 H GLY 52 H GLY 52 0.305 -6.468 2.426 400 1HA GLY 52 1HA GLY 52 -1.305 -6.083 4.089 401 2HA GLY 52 2HA GLY 52 -2.169 -7.486 3.456 402 H VAL 53 H VAL 53 -1.333 -4.491 1.721 403 HA VAL 53 HA VAL 53 -3.857 -3.197 1.973 404 HB VAL 53 HB VAL 53 -1.791 -3.095 -0.246 405 1HG1 VAL 53 1HG1 VAL 53 -4.322 -1.516 0.208 406 2HG1 VAL 53 2HG1 VAL 53 -2.965 -0.828 -0.684 407 3HG1 VAL 53 3HG1 VAL 53 -3.757 -2.289 -1.273 408 1HG2 VAL 53 1HG2 VAL 53 -2.312 -1.479 2.255 409 2HG2 VAL 53 2HG2 VAL 53 -0.812 -2.244 1.734 410 3HG2 VAL 53 3HG2 VAL 53 -1.402 -0.805 0.903 411 H LYS 54 H LYS 54 -2.630 -5.316 -0.632 412 HA LYS 54 HA LYS 54 -5.117 -5.338 -2.090 413 1HB LYS 54 1HB LYS 54 -2.721 -7.190 -2.118 414 2HB LYS 54 2HB LYS 54 -4.087 -7.358 -3.221 415 1HG LYS 54 1HG LYS 54 -3.714 -5.062 -4.039 416 2HG LYS 54 2HG LYS 54 -2.345 -4.892 -2.940 417 1HD LYS 54 1HD LYS 54 -1.207 -6.774 -4.061 418 2HD LYS 54 2HD LYS 54 -2.573 -6.941 -5.165 419 1HE LYS 54 1HE LYS 54 -0.801 -5.637 -6.238 420 2HE LYS 54 2HE LYS 54 -2.203 -4.608 -5.940 421 1HZ LYS 54 1HZ LYS 54 -0.717 -4.436 -3.652 422 2HZ LYS 54 2HZ LYS 54 0.443 -4.410 -4.889 423 3HZ LYS 54 3HZ LYS 54 -0.812 -3.265 -4.880 424 H ALA 55 H ALA 55 -3.690 -7.512 0.325 425 HA ALA 55 HA ALA 55 -5.642 -9.575 0.141 426 1HB ALA 55 1HB ALA 55 -4.219 -8.740 2.677 427 2HB ALA 55 2HB ALA 55 -4.803 -10.348 2.247 428 3HB ALA 55 3HB ALA 55 -3.427 -9.652 1.391 429 H LEU 56 H LEU 56 -5.954 -6.372 1.337 430 HA LEU 56 HA LEU 56 -8.101 -7.026 3.212 431 1HB LEU 56 1HB LEU 56 -6.536 -5.108 3.587 432 2HB LEU 56 2HB LEU 56 -7.230 -4.316 2.177 433 HG LEU 56 HG LEU 56 -9.495 -4.492 3.296 434 1HD1 LEU 56 1HD1 LEU 56 -7.749 -5.564 5.509 435 2HD1 LEU 56 2HD1 LEU 56 -9.225 -4.684 5.892 436 3HD1 LEU 56 3HD1 LEU 56 -9.308 -6.158 4.939 437 1HD2 LEU 56 1HD2 LEU 56 -7.225 -2.877 4.461 438 2HD2 LEU 56 2HD2 LEU 56 -8.501 -2.362 3.358 439 3HD2 LEU 56 3HD2 LEU 56 -8.878 -2.684 5.049 440 H ILE 57 H ILE 57 -8.081 -4.736 0.477 441 HA ILE 57 HA ILE 57 -10.793 -4.475 0.081 442 HB ILE 57 HB ILE 57 -8.568 -4.578 -1.957 443 1HG1 ILE 57 1HG1 ILE 57 -9.083 -2.110 -2.033 444 2HG1 ILE 57 2HG1 ILE 57 -10.228 -2.359 -0.719 445 1HG2 ILE 57 1HG2 ILE 57 -11.509 -4.093 -2.374 446 2HG2 ILE 57 2HG2 ILE 57 -10.301 -3.413 -3.464 447 3HG2 ILE 57 3HG2 ILE 57 -10.439 -5.162 -3.277 448 1HD1 ILE 57 1HD1 ILE 57 -7.356 -3.249 -0.463 449 2HD1 ILE 57 2HD1 ILE 57 -7.834 -1.590 -0.105 450 3HD1 ILE 57 3HD1 ILE 57 -8.528 -2.920 0.816 451 H ASP 58 H ASP 58 -8.796 -7.155 -1.225 452 HA ASP 58 HA ASP 58 -10.953 -8.351 -2.671 453 1HB ASP 58 1HB ASP 58 -9.664 -10.451 -2.547 454 2HB ASP 58 2HB ASP 58 -8.608 -9.095 -2.945 455 H GLU 59 H GLU 59 -9.952 -8.592 0.724 456 HA GLU 59 HA GLU 59 -11.912 -10.589 1.418 457 1HB GLU 59 1HB GLU 59 -10.357 -8.607 3.093 458 2HB GLU 59 2HB GLU 59 -11.451 -9.806 3.779 459 1HG GLU 59 1HG GLU 59 -9.162 -10.520 1.933 460 2HG GLU 59 2HG GLU 59 -9.020 -10.520 3.693 461 H ILE 60 H ILE 60 -11.866 -7.039 1.507 462 HA ILE 60 HA ILE 60 -14.432 -6.845 2.794 463 HB ILE 60 HB ILE 60 -13.352 -4.727 0.930 464 1HG1 ILE 60 1HG1 ILE 60 -11.394 -5.254 2.154 465 2HG1 ILE 60 2HG1 ILE 60 -12.084 -3.875 2.986 466 1HG2 ILE 60 1HG2 ILE 60 -15.588 -4.579 2.198 467 2HG2 ILE 60 2HG2 ILE 60 -14.610 -4.409 3.657 468 3HG2 ILE 60 3HG2 ILE 60 -14.479 -3.217 2.364 469 1HD1 ILE 60 1HD1 ILE 60 -13.255 -5.718 4.452 470 2HD1 ILE 60 2HD1 ILE 60 -11.958 -6.745 3.838 471 3HD1 ILE 60 3HD1 ILE 60 -11.571 -5.293 4.752 472 H LEU 61 H LEU 61 -13.410 -6.458 -0.592 473 HA LEU 61 HA LEU 61 -16.095 -6.254 -1.604 474 1HB LEU 61 1HB LEU 61 -13.435 -6.824 -2.939 475 2HB LEU 61 2HB LEU 61 -14.946 -6.665 -3.841 476 HG LEU 61 HG LEU 61 -13.767 -4.549 -2.010 477 1HD1 LEU 61 1HD1 LEU 61 -12.566 -5.068 -4.226 478 2HD1 LEU 61 2HD1 LEU 61 -14.011 -4.448 -5.023 479 3HD1 LEU 61 3HD1 LEU 61 -13.064 -3.396 -3.972 480 1HD2 LEU 61 1HD2 LEU 61 -16.340 -4.772 -3.543 481 2HD2 LEU 61 2HD2 LEU 61 -16.020 -3.989 -1.996 482 3HD2 LEU 61 3HD2 LEU 61 -15.555 -3.194 -3.492 483 H ALA 62 H ALA 62 -13.980 -9.007 -0.996 484 HA ALA 62 HA ALA 62 -15.330 -10.908 -2.635 485 1HB ALA 62 1HB ALA 62 -13.806 -11.185 -0.039 486 2HB ALA 62 2HB ALA 62 -14.532 -12.579 -0.838 487 3HB ALA 62 3HB ALA 62 -13.291 -11.640 -1.665 488 H ALA 63 H ALA 63 -16.028 -9.757 0.655 489 HA ALA 63 HA ALA 63 -18.102 -11.606 1.263 490 1HB ALA 63 1HB ALA 63 -17.039 -9.960 2.863 491 2HB ALA 63 2HB ALA 63 -18.011 -8.698 2.107 492 3HB ALA 63 3HB ALA 63 -18.798 -10.030 2.954 493 H LEU 64 H LEU 64 -18.189 -8.500 -0.475 494 HA LEU 64 HA LEU 64 -21.063 -8.522 -0.792 495 1HB LEU 64 1HB LEU 64 -19.022 -7.092 -2.519 496 2HB LEU 64 2HB LEU 64 -20.714 -6.654 -2.303 497 HG LEU 64 HG LEU 64 -18.542 -6.570 -0.191 498 1HD1 LEU 64 1HD1 LEU 64 -18.627 -4.728 -1.918 499 2HD1 LEU 64 2HD1 LEU 64 -20.250 -4.348 -1.344 500 3HD1 LEU 64 3HD1 LEU 64 -18.869 -4.178 -0.261 501 1HD2 LEU 64 1HD2 LEU 64 -21.545 -6.269 -0.033 502 2HD2 LEU 64 2HD2 LEU 64 -20.472 -7.194 1.018 503 3HD2 LEU 64 3HD2 LEU 64 -20.499 -5.434 1.116 504 HA PRO 65 HA PRO 65 -21.574 -11.542 -4.037 505 1HB PRO 65 1HB PRO 65 -22.955 -9.529 -5.719 506 2HB PRO 65 2HB PRO 65 -23.567 -11.053 -5.064 507 1HG PRO 65 1HG PRO 65 -24.193 -8.475 -4.112 508 2HG PRO 65 2HG PRO 65 -24.523 -9.998 -3.279 509 1HD PRO 65 1HD PRO 65 -22.618 -7.940 -2.528 510 2HD PRO 65 2HD PRO 65 -22.985 -9.456 -1.673 No H/Q in entry = 510 Start of MODEL 28 1 H1 MET 1 H1 MET 1 34.194 -18.568 -0.148 2 H2 MET 1 H2 MET 1 34.154 -20.184 -0.670 3 H3 MET 1 H3 MET 1 34.596 -18.949 -1.750 4 HA MET 1 HA MET 1 32.382 -19.549 -2.278 5 1HB MET 1 1HB MET 1 30.637 -19.294 -0.415 6 2HB MET 1 2HB MET 1 31.691 -20.704 -0.310 7 1HG MET 1 1HG MET 1 32.406 -18.121 1.083 8 2HG MET 1 2HG MET 1 31.338 -19.301 1.841 9 1HE MET 1 1HE MET 1 33.189 -19.153 3.765 10 2HE MET 1 2HE MET 1 34.880 -19.633 3.556 11 3HE MET 1 3HE MET 1 34.272 -18.175 2.778 12 H LYS 2 H LYS 2 34.117 -17.022 -1.129 13 HA LYS 2 HA LYS 2 32.236 -14.912 -0.801 14 1HB LYS 2 1HB LYS 2 34.641 -14.675 -0.278 15 2HB LYS 2 2HB LYS 2 35.020 -14.795 -1.995 16 1HG LYS 2 1HG LYS 2 33.851 -12.749 -2.480 17 2HG LYS 2 2HG LYS 2 33.180 -12.682 -0.850 18 1HD LYS 2 1HD LYS 2 35.045 -11.131 -0.975 19 2HD LYS 2 2HD LYS 2 35.514 -12.490 0.045 20 1HE LYS 2 1HE LYS 2 36.877 -13.437 -1.646 21 2HE LYS 2 2HE LYS 2 36.133 -12.459 -2.911 22 1HZ LYS 2 1HZ LYS 2 37.488 -11.112 -0.685 23 2HZ LYS 2 2HZ LYS 2 38.433 -11.809 -1.913 24 3HZ LYS 2 3HZ LYS 2 37.298 -10.610 -2.297 25 H ALA 3 H ALA 3 33.904 -16.072 -3.735 26 HA ALA 3 HA ALA 3 31.664 -15.541 -5.446 27 1HB ALA 3 1HB ALA 3 32.176 -13.194 -5.132 28 2HB ALA 3 2HB ALA 3 33.890 -13.481 -5.432 29 3HB ALA 3 3HB ALA 3 32.724 -13.651 -6.744 30 H ILE 4 H ILE 4 32.133 -17.477 -6.494 31 HA ILE 4 HA ILE 4 34.755 -18.396 -7.130 32 HB ILE 4 HB ILE 4 32.112 -19.015 -8.488 33 1HG1 ILE 4 1HG1 ILE 4 32.748 -21.257 -7.075 34 2HG1 ILE 4 2HG1 ILE 4 33.528 -20.060 -6.047 35 1HG2 ILE 4 1HG2 ILE 4 34.868 -20.230 -8.731 36 2HG2 ILE 4 2HG2 ILE 4 33.410 -21.118 -9.173 37 3HG2 ILE 4 3HG2 ILE 4 33.824 -19.627 -10.018 38 1HD1 ILE 4 1HD1 ILE 4 30.632 -19.874 -6.940 39 2HD1 ILE 4 2HD1 ILE 4 31.145 -20.591 -5.415 40 3HD1 ILE 4 3HD1 ILE 4 31.438 -18.883 -5.725 41 H PHE 5 H PHE 5 32.348 -16.722 -9.182 42 HA PHE 5 HA PHE 5 34.363 -15.186 -10.547 43 1HB PHE 5 1HB PHE 5 34.810 -17.428 -11.567 44 2HB PHE 5 2HB PHE 5 33.146 -17.456 -12.152 45 HD1 PHE 5 HD1 PHE 5 32.397 -15.924 -13.912 46 HD2 PHE 5 HD2 PHE 5 36.460 -15.900 -12.518 47 HE1 PHE 5 HE1 PHE 5 33.066 -14.581 -15.886 48 HE2 PHE 5 HE2 PHE 5 37.129 -14.554 -14.492 49 HZ PHE 5 HZ PHE 5 35.431 -13.895 -16.175 50 H VAL 6 H VAL 6 31.155 -16.116 -9.910 51 HA VAL 6 HA VAL 6 30.006 -14.295 -11.967 52 HB VAL 6 HB VAL 6 28.605 -16.025 -9.905 53 1HG1 VAL 6 1HG1 VAL 6 27.666 -14.477 -12.332 54 2HG1 VAL 6 2HG1 VAL 6 26.689 -15.714 -11.540 55 3HG1 VAL 6 3HG1 VAL 6 27.156 -14.261 -10.658 56 1HG2 VAL 6 1HG2 VAL 6 29.203 -16.531 -12.838 57 2HG2 VAL 6 2HG2 VAL 6 29.925 -17.388 -11.476 58 3HG2 VAL 6 3HG2 VAL 6 28.201 -17.559 -11.813 59 H LEU 7 H LEU 7 29.750 -12.196 -11.421 60 HA LEU 7 HA LEU 7 29.212 -11.493 -8.549 61 1HB LEU 7 1HB LEU 7 31.440 -10.727 -9.298 62 2HB LEU 7 2HB LEU 7 30.694 -9.879 -10.650 63 HG LEU 7 HG LEU 7 29.418 -8.471 -9.047 64 1HD1 LEU 7 1HD1 LEU 7 30.797 -10.269 -7.065 65 2HD1 LEU 7 2HD1 LEU 7 30.425 -8.607 -6.608 66 3HD1 LEU 7 3HD1 LEU 7 29.128 -9.700 -7.083 67 1HD2 LEU 7 1HD2 LEU 7 31.720 -7.860 -9.905 68 2HD2 LEU 7 2HD2 LEU 7 31.275 -7.095 -8.380 69 3HD2 LEU 7 3HD2 LEU 7 32.374 -8.475 -8.389 70 H ASN 8 H ASN 8 28.655 -10.542 -11.946 71 HA ASN 8 HA ASN 8 26.532 -8.682 -11.219 72 1HB ASN 8 1HB ASN 8 27.325 -9.888 -13.888 73 2HB ASN 8 2HB ASN 8 26.112 -8.625 -13.686 74 2HD2 ASN 8 2HD2 ASN 8 27.169 -6.796 -12.004 75 1HD2 ASN 8 1HD2 ASN 8 28.678 -6.231 -12.540 76 H ALA 9 H ALA 9 24.266 -8.988 -11.766 77 HA ALA 9 HA ALA 9 23.412 -11.865 -11.949 78 1HB ALA 9 1HB ALA 9 22.210 -9.633 -10.284 79 2HB ALA 9 2HB ALA 9 21.477 -11.221 -10.505 80 3HB ALA 9 3HB ALA 9 23.025 -11.073 -9.675 81 H GLN 10 H GLN 10 22.025 -12.248 -13.611 82 HA GLN 10 HA GLN 10 21.070 -9.948 -15.214 83 1HB GLN 10 1HB GLN 10 21.003 -12.947 -15.655 84 2HB GLN 10 2HB GLN 10 20.282 -11.787 -16.770 85 1HG GLN 10 1HG GLN 10 22.468 -12.228 -17.623 86 2HG GLN 10 2HG GLN 10 22.575 -10.649 -16.846 87 2HE2 GLN 10 2HE2 GLN 10 23.677 -13.971 -16.702 88 1HE2 GLN 10 1HE2 GLN 10 24.717 -13.773 -15.374 89 H HIS 11 H HIS 11 19.949 -11.570 -12.572 90 HA HIS 11 HA HIS 11 17.244 -12.189 -13.205 91 1HB HIS 11 1HB HIS 11 18.373 -12.814 -11.070 92 2HB HIS 11 2HB HIS 11 18.329 -11.121 -10.581 93 HD1 HIS 11 HD1 HIS 11 15.831 -13.750 -11.793 94 HD2 HIS 11 HD2 HIS 11 16.039 -10.514 -9.174 95 HE1 HIS 11 HE1 HIS 11 13.585 -13.625 -10.628 96 H ASP 12 H ASP 12 15.396 -10.912 -13.316 97 HA ASP 12 HA ASP 12 15.650 -8.169 -14.015 98 1HB ASP 12 1HB ASP 12 13.691 -9.689 -14.541 99 2HB ASP 12 2HB ASP 12 13.165 -9.473 -12.870 100 H GLU 13 H GLU 13 15.567 -6.302 -12.806 101 HA GLU 13 HA GLU 13 15.299 -6.593 -9.825 102 1HB GLU 13 1HB GLU 13 17.064 -4.771 -11.483 103 2HB GLU 13 2HB GLU 13 16.817 -4.574 -9.747 104 1HG GLU 13 1HG GLU 13 17.795 -7.150 -11.002 105 2HG GLU 13 2HG GLU 13 18.877 -5.908 -10.373 106 H ALA 14 H ALA 14 14.027 -5.065 -8.771 107 HA ALA 14 HA ALA 14 12.699 -2.963 -10.445 108 1HB ALA 14 1HB ALA 14 11.260 -5.050 -10.092 109 2HB ALA 14 2HB ALA 14 11.240 -4.626 -8.381 110 3HB ALA 14 3HB ALA 14 10.548 -3.523 -9.571 111 H VAL 15 H VAL 15 11.855 -1.180 -9.161 112 HA VAL 15 HA VAL 15 13.318 -0.827 -6.565 113 HB VAL 15 HB VAL 15 12.260 1.250 -8.510 114 1HG1 VAL 15 1HG1 VAL 15 13.882 1.485 -5.957 115 2HG1 VAL 15 2HG1 VAL 15 13.604 2.809 -7.088 116 3HG1 VAL 15 3HG1 VAL 15 12.246 2.089 -6.221 117 1HG2 VAL 15 1HG2 VAL 15 15.031 0.167 -7.939 118 2HG2 VAL 15 2HG2 VAL 15 14.170 0.150 -9.477 119 3HG2 VAL 15 3HG2 VAL 15 14.749 1.676 -8.807 120 H ASP 16 H ASP 16 12.090 -0.683 -4.761 121 HA ASP 16 HA ASP 16 9.170 -0.017 -5.042 122 1HB ASP 16 1HB ASP 16 9.573 -2.419 -4.499 123 2HB ASP 16 2HB ASP 16 10.442 -1.916 -3.048 124 H ALA 17 H ALA 17 8.505 1.662 -3.796 125 HA ALA 17 HA ALA 17 9.574 2.269 -1.199 126 1HB ALA 17 1HB ALA 17 11.529 3.060 -2.394 127 2HB ALA 17 2HB ALA 17 10.629 4.470 -1.833 128 3HB ALA 17 3HB ALA 17 10.525 3.972 -3.522 129 H ASN 18 H ASN 18 8.643 4.514 -3.805 130 HA ASN 18 HA ASN 18 6.555 5.679 -2.154 131 1HB ASN 18 1HB ASN 18 7.762 7.040 -3.805 132 2HB ASN 18 2HB ASN 18 7.159 6.014 -5.108 133 2HD2 ASN 18 2HD2 ASN 18 5.765 7.502 -6.170 134 1HD2 ASN 18 1HD2 ASN 18 4.436 8.241 -5.414 135 H SER 19 H SER 19 6.725 2.911 -4.102 136 HA SER 19 HA SER 19 4.145 2.842 -5.292 137 1HB SER 19 1HB SER 19 4.458 0.456 -5.467 138 2HB SER 19 2HB SER 19 6.029 1.214 -5.712 139 HG SER 19 HG SER 19 5.508 -0.636 -4.013 140 H LEU 20 H LEU 20 5.210 1.996 -2.002 141 HA LEU 20 HA LEU 20 2.776 0.790 -1.141 142 1HB LEU 20 1HB LEU 20 4.881 2.380 0.345 143 2HB LEU 20 2HB LEU 20 3.508 1.646 1.168 144 HG LEU 20 HG LEU 20 5.289 -0.005 -0.632 145 1HD1 LEU 20 1HD1 LEU 20 5.737 0.787 2.255 146 2HD1 LEU 20 2HD1 LEU 20 6.450 -0.668 1.557 147 3HD1 LEU 20 3HD1 LEU 20 6.867 0.917 0.907 148 1HD2 LEU 20 1HD2 LEU 20 3.462 -0.593 1.725 149 2HD2 LEU 20 2HD2 LEU 20 3.230 -1.096 0.053 150 3HD2 LEU 20 3HD2 LEU 20 4.537 -1.789 1.006 151 H ALA 21 H ALA 21 3.845 4.193 -0.907 152 HA ALA 21 HA ALA 21 1.460 5.180 0.251 153 1HB ALA 21 1HB ALA 21 3.270 6.667 -1.668 154 2HB ALA 21 2HB ALA 21 3.625 6.442 0.044 155 3HB ALA 21 3HB ALA 21 2.211 7.375 -0.448 156 H GLU 22 H GLU 22 2.420 5.045 -3.195 157 HA GLU 22 HA GLU 22 -0.018 6.125 -4.207 158 1HB GLU 22 1HB GLU 22 2.040 5.866 -5.571 159 2HB GLU 22 2HB GLU 22 1.845 4.115 -5.513 160 1HG GLU 22 1HG GLU 22 -0.326 4.308 -6.655 161 2HG GLU 22 2HG GLU 22 -0.152 6.062 -6.706 162 H ALA 23 H ALA 23 0.946 2.787 -3.462 163 HA ALA 23 HA ALA 23 -1.371 1.503 -4.506 164 1HB ALA 23 1HB ALA 23 -0.804 -0.252 -2.692 165 2HB ALA 23 2HB ALA 23 0.429 0.086 -3.906 166 3HB ALA 23 3HB ALA 23 0.561 0.794 -2.298 167 H LYS 24 H LYS 24 -0.704 2.766 -1.227 168 HA LYS 24 HA LYS 24 -3.301 2.055 -0.191 169 1HB LYS 24 1HB LYS 24 -1.322 4.170 0.721 170 2HB LYS 24 2HB LYS 24 -2.730 3.641 1.643 171 1HG LYS 24 1HG LYS 24 -1.847 1.336 1.681 172 2HG LYS 24 2HG LYS 24 -0.436 1.859 0.761 173 1HD LYS 24 1HD LYS 24 -0.056 3.568 2.657 174 2HD LYS 24 2HD LYS 24 -1.211 2.610 3.581 175 1HE LYS 24 1HE LYS 24 1.405 1.647 2.393 176 2HE LYS 24 2HE LYS 24 1.020 1.819 4.105 177 1HZ LYS 24 1HZ LYS 24 -0.809 0.171 2.580 178 2HZ LYS 24 2HZ LYS 24 0.759 -0.456 2.738 179 3HZ LYS 24 3HZ LYS 24 -0.147 -0.078 4.125 180 H VAL 25 H VAL 25 -1.965 4.991 -1.686 181 HA VAL 25 HA VAL 25 -4.276 6.628 -1.289 182 HB VAL 25 HB VAL 25 -2.077 6.728 -3.356 183 1HG1 VAL 25 1HG1 VAL 25 -4.414 8.577 -2.870 184 2HG1 VAL 25 2HG1 VAL 25 -2.926 9.142 -3.629 185 3HG1 VAL 25 3HG1 VAL 25 -3.880 7.873 -4.396 186 1HG2 VAL 25 1HG2 VAL 25 -1.631 7.138 -0.855 187 2HG2 VAL 25 2HG2 VAL 25 -1.121 8.408 -1.966 188 3HG2 VAL 25 3HG2 VAL 25 -2.608 8.594 -1.037 189 H LEU 26 H LEU 26 -3.258 4.696 -4.138 190 HA LEU 26 HA LEU 26 -5.629 5.286 -5.658 191 1HB LEU 26 1HB LEU 26 -3.697 2.955 -5.825 192 2HB LEU 26 2HB LEU 26 -4.958 3.281 -7.011 193 HG LEU 26 HG LEU 26 -2.682 5.155 -6.294 194 1HD1 LEU 26 1HD1 LEU 26 -2.074 3.074 -7.576 195 2HD1 LEU 26 2HD1 LEU 26 -3.191 3.586 -8.840 196 3HD1 LEU 26 3HD1 LEU 26 -1.774 4.567 -8.467 197 1HD2 LEU 26 1HD2 LEU 26 -5.116 5.413 -8.051 198 2HD2 LEU 26 2HD2 LEU 26 -4.337 6.626 -7.034 199 3HD2 LEU 26 3HD2 LEU 26 -3.617 6.181 -8.577 200 H ALA 27 H ALA 27 -4.786 2.589 -3.494 201 HA ALA 27 HA ALA 27 -7.140 1.050 -4.004 202 1HB ALA 27 1HB ALA 27 -5.206 0.108 -2.823 203 2HB ALA 27 2HB ALA 27 -5.452 1.237 -1.490 204 3HB ALA 27 3HB ALA 27 -6.649 -0.019 -1.815 205 H ASN 28 H ASN 28 -6.435 3.606 -1.656 206 HA ASN 28 HA ASN 28 -8.867 3.490 -0.198 207 1HB ASN 28 1HB ASN 28 -6.909 4.796 0.526 208 2HB ASN 28 2HB ASN 28 -7.135 5.895 -0.835 209 2HD2 ASN 28 2HD2 ASN 28 -7.477 6.111 2.301 210 1HD2 ASN 28 1HD2 ASN 28 -8.967 6.910 2.451 211 H ARG 29 H ARG 29 -8.050 5.230 -3.194 212 HA ARG 29 HA ARG 29 -10.441 6.746 -3.407 213 1HB ARG 29 1HB ARG 29 -8.596 5.635 -5.529 214 2HB ARG 29 2HB ARG 29 -9.934 6.730 -5.888 215 1HG ARG 29 1HG ARG 29 -8.983 8.395 -4.345 216 2HG ARG 29 2HG ARG 29 -7.639 7.314 -3.993 217 1HD ARG 29 1HD ARG 29 -7.173 7.297 -6.500 218 2HD ARG 29 2HD ARG 29 -8.308 8.634 -6.639 219 HE ARG 29 HE ARG 29 -5.569 8.808 -5.816 220 1HH1 ARG 29 1HH1 ARG 29 -4.747 10.487 -4.584 221 2HH1 ARG 29 2HH1 ARG 29 -5.832 11.570 -3.778 222 1HH2 ARG 29 1HH2 ARG 29 -8.690 10.003 -4.935 223 2HH2 ARG 29 2HH2 ARG 29 -8.055 11.292 -3.971 224 H GLU 30 H GLU 30 -9.755 3.415 -4.509 225 HA GLU 30 HA GLU 30 -12.167 3.038 -5.972 226 1HB GLU 30 1HB GLU 30 -10.479 1.075 -4.400 227 2HB GLU 30 2HB GLU 30 -11.833 0.590 -5.420 228 1HG GLU 30 1HG GLU 30 -9.505 2.240 -6.420 229 2HG GLU 30 2HG GLU 30 -9.581 0.483 -6.548 230 H LEU 31 H LEU 31 -11.459 2.534 -2.539 231 HA LEU 31 HA LEU 31 -13.969 1.422 -1.793 232 1HB LEU 31 1HB LEU 31 -12.341 3.289 -0.056 233 2HB LEU 31 2HB LEU 31 -13.347 1.933 0.449 234 HG LEU 31 HG LEU 31 -10.765 1.803 -1.099 235 1HD1 LEU 31 1HD1 LEU 31 -11.590 1.077 1.706 236 2HD1 LEU 31 2HD1 LEU 31 -10.224 0.273 0.935 237 3HD1 LEU 31 3HD1 LEU 31 -10.199 2.019 1.166 238 1HD2 LEU 31 1HD2 LEU 31 -12.860 -0.295 -0.514 239 2HD2 LEU 31 2HD2 LEU 31 -12.073 0.071 -2.051 240 3HD2 LEU 31 3HD2 LEU 31 -11.175 -0.748 -0.773 241 H ASP 32 H ASP 32 -12.941 4.687 -2.407 242 HA ASP 32 HA ASP 32 -15.056 6.101 -1.166 243 1HB ASP 32 1HB ASP 32 -12.898 6.975 -2.243 244 2HB ASP 32 2HB ASP 32 -13.763 6.883 -3.778 245 H LYS 33 H LYS 33 -14.839 4.699 -4.460 246 HA LYS 33 HA LYS 33 -17.460 5.657 -5.214 247 1HB LYS 33 1HB LYS 33 -17.092 4.626 -7.258 248 2HB LYS 33 2HB LYS 33 -15.431 4.746 -6.692 249 1HG LYS 33 1HG LYS 33 -15.753 2.390 -5.726 250 2HG LYS 33 2HG LYS 33 -17.236 2.317 -6.667 251 1HD LYS 33 1HD LYS 33 -14.519 2.949 -7.861 252 2HD LYS 33 2HD LYS 33 -15.225 1.334 -7.835 253 1HE LYS 33 1HE LYS 33 -17.262 2.364 -9.002 254 2HE LYS 33 2HE LYS 33 -16.256 3.788 -9.269 255 1HZ LYS 33 1HZ LYS 33 -14.695 1.663 -10.015 256 2HZ LYS 33 2HZ LYS 33 -16.235 1.289 -10.628 257 3HZ LYS 33 3HZ LYS 33 -15.486 2.750 -11.052 258 H TYR 34 H TYR 34 -16.259 2.629 -3.815 259 HA TYR 34 HA TYR 34 -18.798 1.265 -3.957 260 1HB TYR 34 1HB TYR 34 -16.319 0.803 -2.274 261 2HB TYR 34 2HB TYR 34 -17.723 -0.268 -2.244 262 HD1 TYR 34 HD1 TYR 34 -18.634 -0.969 -4.648 263 HD2 TYR 34 HD2 TYR 34 -14.614 0.320 -3.830 264 HE1 TYR 34 HE1 TYR 34 -17.855 -2.059 -6.734 265 HE2 TYR 34 HE2 TYR 34 -13.842 -0.767 -5.914 266 HH TYR 34 HH TYR 34 -16.137 -2.400 -8.100 267 H GLY 35 H GLY 35 -17.224 3.245 -1.452 268 1HA GLY 35 1HA GLY 35 -19.846 3.801 -0.273 269 2HA GLY 35 2HA GLY 35 -18.311 4.490 0.249 270 H VAL 36 H VAL 36 -17.073 1.772 0.527 271 HA VAL 36 HA VAL 36 -18.589 0.176 2.352 272 HB VAL 36 HB VAL 36 -16.408 -0.796 2.984 273 1HG1 VAL 36 1HG1 VAL 36 -17.566 -1.355 0.787 274 2HG1 VAL 36 2HG1 VAL 36 -16.441 -0.238 0.014 275 3HG1 VAL 36 3HG1 VAL 36 -15.835 -1.674 0.834 276 1HG2 VAL 36 1HG2 VAL 36 -15.388 1.590 1.448 277 2HG2 VAL 36 2HG2 VAL 36 -15.008 1.130 3.106 278 3HG2 VAL 36 3HG2 VAL 36 -14.386 0.171 1.761 279 H SER 37 H SER 37 -17.225 -0.142 4.665 280 HA SER 37 HA SER 37 -18.011 2.162 6.218 281 1HB SER 37 1HB SER 37 -17.224 0.921 8.120 282 2HB SER 37 2HB SER 37 -17.960 -0.242 7.021 283 HG SER 37 HG SER 37 -15.809 -0.766 7.902 284 H ASP 38 H ASP 38 -16.620 3.592 7.404 285 HA ASP 38 HA ASP 38 -14.252 4.410 5.957 286 1HB ASP 38 1HB ASP 38 -15.794 5.947 7.251 287 2HB ASP 38 2HB ASP 38 -15.087 5.290 8.728 288 H TYR 39 H TYR 39 -14.830 2.209 8.550 289 HA TYR 39 HA TYR 39 -12.358 2.347 9.944 290 1HB TYR 39 1HB TYR 39 -14.231 1.039 10.794 291 2HB TYR 39 2HB TYR 39 -14.154 -0.035 9.397 292 HD1 TYR 39 HD1 TYR 39 -12.535 0.936 12.562 293 HD2 TYR 39 HD2 TYR 39 -12.349 -1.645 9.135 294 HE1 TYR 39 HE1 TYR 39 -10.835 -0.462 13.706 295 HE2 TYR 39 HE2 TYR 39 -10.655 -3.041 10.274 296 HH TYR 39 HH TYR 39 -9.636 -3.461 12.238 297 H TYR 40 H TYR 40 -13.255 0.299 7.145 298 HA TYR 40 HA TYR 40 -10.755 -1.020 6.903 299 1HB TYR 40 1HB TYR 40 -12.703 -0.268 4.703 300 2HB TYR 40 2HB TYR 40 -11.422 -1.472 4.569 301 HD1 TYR 40 HD1 TYR 40 -14.841 -1.088 5.171 302 HD2 TYR 40 HD2 TYR 40 -11.419 -3.233 6.640 303 HE1 TYR 40 HE1 TYR 40 -16.336 -2.806 6.149 304 HE2 TYR 40 HE2 TYR 40 -12.916 -4.948 7.618 305 HH TYR 40 HH TYR 40 -15.770 -4.675 8.387 306 H LYS 41 H LYS 41 -11.832 2.102 5.556 307 HA LYS 41 HA LYS 41 -9.560 2.533 3.885 308 1HB LYS 41 1HB LYS 41 -11.401 4.474 5.315 309 2HB LYS 41 2HB LYS 41 -10.160 4.977 4.167 310 1HG LYS 41 1HG LYS 41 -11.203 3.735 2.383 311 2HG LYS 41 2HG LYS 41 -12.332 2.975 3.502 312 1HD LYS 41 1HD LYS 41 -13.488 4.776 2.352 313 2HD LYS 41 2HD LYS 41 -13.252 5.245 4.033 314 1HE LYS 41 1HE LYS 41 -11.506 6.744 3.497 315 2HE LYS 41 2HE LYS 41 -11.259 6.021 1.907 316 1HZ LYS 41 1HZ LYS 41 -13.928 6.934 2.212 317 2HZ LYS 41 2HZ LYS 41 -12.829 8.194 2.511 318 3HZ LYS 41 3HZ LYS 41 -12.781 7.352 1.036 319 H ASN 42 H ASN 42 -10.197 3.255 7.287 320 HA ASN 42 HA ASN 42 -7.723 4.642 7.712 321 1HB ASN 42 1HB ASN 42 -9.620 3.251 9.618 322 2HB ASN 42 2HB ASN 42 -8.200 4.148 10.156 323 2HD2 ASN 42 2HD2 ASN 42 -9.079 5.786 7.445 324 1HD2 ASN 42 1HD2 ASN 42 -10.139 6.928 8.116 325 H LEU 43 H LEU 43 -8.713 1.259 8.070 326 HA LEU 43 HA LEU 43 -6.338 0.306 9.298 327 1HB LEU 43 1HB LEU 43 -8.392 -1.047 9.097 328 2HB LEU 43 2HB LEU 43 -8.177 -1.119 7.350 329 HG LEU 43 HG LEU 43 -6.039 -2.314 7.651 330 1HD1 LEU 43 1HD1 LEU 43 -6.643 -1.793 10.558 331 2HD1 LEU 43 2HD1 LEU 43 -5.720 -3.224 10.105 332 3HD1 LEU 43 3HD1 LEU 43 -5.118 -1.622 9.690 333 1HD2 LEU 43 1HD2 LEU 43 -8.265 -3.509 7.548 334 2HD2 LEU 43 2HD2 LEU 43 -6.986 -4.420 8.349 335 3HD2 LEU 43 3HD2 LEU 43 -8.223 -3.607 9.307 336 H ILE 44 H ILE 44 -7.145 0.761 5.851 337 HA ILE 44 HA ILE 44 -4.760 -0.417 4.810 338 HB ILE 44 HB ILE 44 -6.491 1.819 3.718 339 1HG1 ILE 44 1HG1 ILE 44 -6.325 -1.114 2.976 340 2HG1 ILE 44 2HG1 ILE 44 -7.498 -0.462 4.120 341 1HG2 ILE 44 1HG2 ILE 44 -4.262 0.207 2.442 342 2HG2 ILE 44 2HG2 ILE 44 -5.431 1.154 1.523 343 3HG2 ILE 44 3HG2 ILE 44 -4.328 1.959 2.636 344 1HD1 ILE 44 1HD1 ILE 44 -7.213 0.644 1.327 345 2HD1 ILE 44 2HD1 ILE 44 -8.278 -0.712 1.696 346 3HD1 ILE 44 3HD1 ILE 44 -8.552 0.858 2.456 347 H ASN 45 H ASN 45 -5.490 2.865 5.924 348 HA ASN 45 HA ASN 45 -2.992 4.034 5.167 349 1HB ASN 45 1HB ASN 45 -4.956 4.706 7.380 350 2HB ASN 45 2HB ASN 45 -3.544 5.698 7.006 351 2HD2 ASN 45 2HD2 ASN 45 -3.432 5.936 4.334 352 1HD2 ASN 45 1HD2 ASN 45 -4.885 6.510 3.672 353 H ASN 46 H ASN 46 -3.861 1.784 7.621 354 HA ASN 46 HA ASN 46 -1.357 2.306 9.166 355 1HB ASN 46 1HB ASN 46 -3.687 0.450 9.743 356 2HB ASN 46 2HB ASN 46 -2.314 0.742 10.813 357 2HD2 ASN 46 2HD2 ASN 46 -5.440 1.555 10.656 358 1HD2 ASN 46 1HD2 ASN 46 -5.391 3.159 11.208 359 H ALA 47 H ALA 47 -2.256 0.541 6.510 360 HA ALA 47 HA ALA 47 -1.015 -2.008 7.145 361 1HB ALA 47 1HB ALA 47 -1.800 -0.678 4.544 362 2HB ALA 47 2HB ALA 47 -1.028 -2.262 4.602 363 3HB ALA 47 3HB ALA 47 -2.603 -2.021 5.359 364 H LYS 48 H LYS 48 1.076 -2.728 6.488 365 HA LYS 48 HA LYS 48 2.990 -0.566 5.651 366 1HB LYS 48 1HB LYS 48 4.652 -2.005 7.101 367 2HB LYS 48 2HB LYS 48 3.589 -0.847 7.894 368 1HG LYS 48 1HG LYS 48 2.513 -3.621 7.509 369 2HG LYS 48 2HG LYS 48 3.780 -3.416 8.714 370 1HD LYS 48 1HD LYS 48 2.477 -1.765 9.908 371 2HD LYS 48 2HD LYS 48 1.256 -1.733 8.637 372 1HE LYS 48 1HE LYS 48 0.685 -4.072 9.089 373 2HE LYS 48 2HE LYS 48 1.951 -4.163 10.312 374 1HZ LYS 48 1HZ LYS 48 0.044 -1.997 10.617 375 2HZ LYS 48 2HZ LYS 48 -0.578 -3.560 10.858 376 3HZ LYS 48 3HZ LYS 48 0.733 -3.011 11.790 377 H THR 49 H THR 49 1.546 -3.282 4.578 378 HA THR 49 HA THR 49 3.950 -4.064 2.966 379 HB THR 49 HB THR 49 3.282 -6.441 3.165 380 HG1 THR 49 HG1 THR 49 1.254 -6.589 3.741 381 1HG2 THR 49 1HG2 THR 49 3.761 -4.999 5.788 382 2HG2 THR 49 2HG2 THR 49 3.951 -6.736 5.554 383 3HG2 THR 49 3HG2 THR 49 4.992 -5.610 4.683 384 H VAL 50 H VAL 50 3.459 -4.741 0.848 385 HA VAL 50 HA VAL 50 1.035 -3.669 -0.296 386 HB VAL 50 HB VAL 50 3.057 -5.595 -1.455 387 1HG1 VAL 50 1HG1 VAL 50 0.821 -3.978 -2.684 388 2HG1 VAL 50 2HG1 VAL 50 2.171 -4.596 -3.638 389 3HG1 VAL 50 3HG1 VAL 50 1.096 -5.715 -2.801 390 1HG2 VAL 50 1HG2 VAL 50 4.002 -3.407 -0.716 391 2HG2 VAL 50 2HG2 VAL 50 4.065 -3.606 -2.467 392 3HG2 VAL 50 3HG2 VAL 50 2.826 -2.582 -1.740 393 H GLU 51 H GLU 51 2.142 -6.971 0.480 394 HA GLU 51 HA GLU 51 -0.069 -8.355 -0.669 395 1HB GLU 51 1HB GLU 51 1.980 -9.497 0.157 396 2HB GLU 51 2HB GLU 51 1.527 -9.087 1.812 397 1HG GLU 51 1HG GLU 51 -0.555 -10.384 1.576 398 2HG GLU 51 2HG GLU 51 -0.123 -10.782 -0.088 399 H GLY 52 H GLY 52 0.422 -6.864 2.494 400 1HA GLY 52 1HA GLY 52 -1.114 -6.313 4.177 401 2HA GLY 52 2HA GLY 52 -2.087 -7.681 3.626 402 H VAL 53 H VAL 53 -1.047 -4.866 1.712 403 HA VAL 53 HA VAL 53 -3.546 -3.448 1.918 404 HB VAL 53 HB VAL 53 -1.323 -3.366 -0.142 405 1HG1 VAL 53 1HG1 VAL 53 -3.869 -1.754 0.089 406 2HG1 VAL 53 2HG1 VAL 53 -2.437 -1.113 -0.719 407 3HG1 VAL 53 3HG1 VAL 53 -3.218 -2.571 -1.331 408 1HG2 VAL 53 1HG2 VAL 53 -0.979 -2.588 2.288 409 2HG2 VAL 53 2HG2 VAL 53 -0.590 -1.424 1.022 410 3HG2 VAL 53 3HG2 VAL 53 -2.108 -1.287 1.911 411 H LYS 54 H LYS 54 -2.243 -5.584 -0.643 412 HA LYS 54 HA LYS 54 -4.671 -5.513 -2.205 413 1HB LYS 54 1HB LYS 54 -2.321 -7.422 -2.175 414 2HB LYS 54 2HB LYS 54 -3.648 -7.543 -3.331 415 1HG LYS 54 1HG LYS 54 -3.192 -5.243 -4.098 416 2HG LYS 54 2HG LYS 54 -1.861 -5.120 -2.945 417 1HD LYS 54 1HD LYS 54 -0.726 -7.014 -4.056 418 2HD LYS 54 2HD LYS 54 -2.055 -7.128 -5.210 419 1HE LYS 54 1HE LYS 54 -1.594 -4.848 -6.001 420 2HE LYS 54 2HE LYS 54 -0.293 -4.693 -4.822 421 1HZ LYS 54 1HZ LYS 54 0.412 -6.947 -6.034 422 2HZ LYS 54 2HZ LYS 54 -0.359 -6.162 -7.325 423 3HZ LYS 54 3HZ LYS 54 0.945 -5.414 -6.534 424 H ALA 55 H ALA 55 -3.392 -7.751 0.230 425 HA ALA 55 HA ALA 55 -5.366 -9.775 -0.038 426 1HB ALA 55 1HB ALA 55 -3.809 -8.874 2.400 427 2HB ALA 55 2HB ALA 55 -3.354 -10.150 1.270 428 3HB ALA 55 3HB ALA 55 -4.758 -10.360 2.318 429 H LEU 56 H LEU 56 -5.473 -6.682 1.662 430 HA LEU 56 HA LEU 56 -7.826 -7.282 3.190 431 1HB LEU 56 1HB LEU 56 -6.225 -5.420 3.718 432 2HB LEU 56 2HB LEU 56 -6.809 -4.569 2.293 433 HG LEU 56 HG LEU 56 -9.142 -4.701 3.277 434 1HD1 LEU 56 1HD1 LEU 56 -7.549 -5.864 5.562 435 2HD1 LEU 56 2HD1 LEU 56 -9.024 -4.954 5.880 436 3HD1 LEU 56 3HD1 LEU 56 -9.088 -6.406 4.894 437 1HD2 LEU 56 1HD2 LEU 56 -6.891 -3.187 4.609 438 2HD2 LEU 56 2HD2 LEU 56 -8.074 -2.604 3.438 439 3HD2 LEU 56 3HD2 LEU 56 -8.569 -2.945 5.095 440 H ILE 57 H ILE 57 -7.421 -5.182 0.295 441 HA ILE 57 HA ILE 57 -10.089 -4.661 -0.289 442 HB ILE 57 HB ILE 57 -8.118 -5.514 -2.422 443 1HG1 ILE 57 1HG1 ILE 57 -6.929 -3.937 -1.030 444 2HG1 ILE 57 2HG1 ILE 57 -7.481 -3.061 -2.452 445 1HG2 ILE 57 1HG2 ILE 57 -10.441 -3.571 -2.364 446 2HG2 ILE 57 2HG2 ILE 57 -9.342 -3.773 -3.729 447 3HG2 ILE 57 3HG2 ILE 57 -10.374 -5.110 -3.223 448 1HD1 ILE 57 1HD1 ILE 57 -9.545 -2.429 -1.045 449 2HD1 ILE 57 2HD1 ILE 57 -8.614 -2.985 0.346 450 3HD1 ILE 57 3HD1 ILE 57 -8.021 -1.643 -0.632 451 H ASP 58 H ASP 58 -8.300 -7.655 -0.855 452 HA ASP 58 HA ASP 58 -10.346 -8.979 -2.366 453 1HB ASP 58 1HB ASP 58 -8.196 -10.055 -0.517 454 2HB ASP 58 2HB ASP 58 -9.245 -11.088 -1.489 455 H GLU 59 H GLU 59 -9.740 -8.646 1.107 456 HA GLU 59 HA GLU 59 -11.929 -10.337 1.921 457 1HB GLU 59 1HB GLU 59 -10.340 -8.210 3.371 458 2HB GLU 59 2HB GLU 59 -11.592 -9.180 4.148 459 1HG GLU 59 1HG GLU 59 -9.215 -10.371 2.694 460 2HG GLU 59 2HG GLU 59 -9.252 -10.085 4.434 461 H ILE 60 H ILE 60 -11.532 -6.844 1.432 462 HA ILE 60 HA ILE 60 -14.138 -6.187 2.435 463 HB ILE 60 HB ILE 60 -12.722 -4.531 0.346 464 1HG1 ILE 60 1HG1 ILE 60 -10.911 -5.069 1.792 465 2HG1 ILE 60 2HG1 ILE 60 -11.471 -3.495 2.320 466 1HG2 ILE 60 1HG2 ILE 60 -14.960 -3.878 1.313 467 2HG2 ILE 60 2HG2 ILE 60 -14.174 -3.745 2.886 468 3HG2 ILE 60 3HG2 ILE 60 -13.684 -2.686 1.565 469 1HD1 ILE 60 1HD1 ILE 60 -12.946 -4.924 3.976 470 2HD1 ILE 60 2HD1 ILE 60 -11.730 -6.162 3.654 471 3HD1 ILE 60 3HD1 ILE 60 -11.249 -4.613 4.337 472 H LEU 61 H LEU 61 -12.906 -6.509 -0.913 473 HA LEU 61 HA LEU 61 -15.426 -6.130 -2.186 474 1HB LEU 61 1HB LEU 61 -12.977 -7.698 -3.052 475 2HB LEU 61 2HB LEU 61 -14.376 -7.444 -4.094 476 HG LEU 61 HG LEU 61 -12.691 -5.244 -2.852 477 1HD1 LEU 61 1HD1 LEU 61 -11.564 -6.609 -4.635 478 2HD1 LEU 61 2HD1 LEU 61 -12.867 -6.164 -5.737 479 3HD1 LEU 61 3HD1 LEU 61 -11.797 -4.920 -5.088 480 1HD2 LEU 61 1HD2 LEU 61 -15.208 -5.271 -4.502 481 2HD2 LEU 61 2HD2 LEU 61 -14.733 -4.178 -3.203 482 3HD2 LEU 61 3HD2 LEU 61 -14.034 -3.989 -4.805 483 H ALA 62 H ALA 62 -13.868 -9.060 -0.922 484 HA ALA 62 HA ALA 62 -15.712 -10.967 -1.904 485 1HB ALA 62 1HB ALA 62 -14.163 -10.875 0.699 486 2HB ALA 62 2HB ALA 62 -15.089 -12.281 0.174 487 3HB ALA 62 3HB ALA 62 -13.716 -11.722 -0.782 488 H ALA 63 H ALA 63 -16.115 -8.492 0.468 489 HA ALA 63 HA ALA 63 -18.360 -9.709 1.856 490 1HB ALA 63 1HB ALA 63 -16.862 -7.862 2.767 491 2HB ALA 63 2HB ALA 63 -17.711 -6.758 1.684 492 3HB ALA 63 3HB ALA 63 -18.595 -7.594 2.960 493 H LEU 64 H LEU 64 -18.027 -8.543 -1.245 494 HA LEU 64 HA LEU 64 -20.970 -7.978 -1.462 495 1HB LEU 64 1HB LEU 64 -18.772 -6.636 -3.062 496 2HB LEU 64 2HB LEU 64 -20.496 -6.283 -3.139 497 HG LEU 64 HG LEU 64 -18.836 -5.978 -0.620 498 1HD1 LEU 64 1HD1 LEU 64 -19.602 -3.947 -2.735 499 2HD1 LEU 64 2HD1 LEU 64 -18.997 -3.517 -1.135 500 3HD1 LEU 64 3HD1 LEU 64 -17.972 -4.418 -2.252 501 1HD2 LEU 64 1HD2 LEU 64 -21.656 -5.235 -1.431 502 2HD2 LEU 64 2HD2 LEU 64 -21.128 -6.154 -0.022 503 3HD2 LEU 64 3HD2 LEU 64 -20.839 -4.420 -0.098 504 HA PRO 65 HA PRO 65 -19.560 -11.515 -4.203 505 1HB PRO 65 1HB PRO 65 -22.304 -12.489 -3.744 506 2HB PRO 65 2HB PRO 65 -20.765 -13.295 -3.413 507 1HG PRO 65 1HG PRO 65 -22.486 -12.277 -1.468 508 2HG PRO 65 2HG PRO 65 -20.774 -12.648 -1.219 509 1HD PRO 65 1HD PRO 65 -22.090 -10.007 -1.424 510 2HD PRO 65 2HD PRO 65 -20.481 -10.412 -0.775 No H/Q in entry = 510 Start of MODEL 29 1 H1 MET 1 H1 MET 1 32.621 6.169 15.920 2 H2 MET 1 H2 MET 1 30.957 6.408 16.159 3 H3 MET 1 H3 MET 1 31.608 4.839 16.206 4 HA MET 1 HA MET 1 32.111 4.887 13.888 5 1HB MET 1 1HB MET 1 29.750 4.371 14.666 6 2HB MET 1 2HB MET 1 29.335 6.040 14.279 7 1HG MET 1 1HG MET 1 30.033 5.685 11.950 8 2HG MET 1 2HG MET 1 30.480 4.025 12.322 9 1HE MET 1 1HE MET 1 29.130 2.306 13.096 10 2HE MET 1 2HE MET 1 27.944 2.935 14.236 11 3HE MET 1 3HE MET 1 27.413 2.075 12.786 12 H LYS 2 H LYS 2 29.987 7.726 14.226 13 HA LYS 2 HA LYS 2 32.049 9.424 12.891 14 1HB LYS 2 1HB LYS 2 29.176 9.042 11.999 15 2HB LYS 2 2HB LYS 2 30.177 10.391 11.471 16 1HG LYS 2 1HG LYS 2 31.131 7.548 11.146 17 2HG LYS 2 2HG LYS 2 30.055 8.271 9.959 18 1HD LYS 2 1HD LYS 2 31.722 10.173 9.754 19 2HD LYS 2 2HD LYS 2 32.824 9.220 10.749 20 1HE LYS 2 1HE LYS 2 31.588 8.260 8.158 21 2HE LYS 2 2HE LYS 2 33.226 8.894 8.314 22 1HZ LYS 2 1HZ LYS 2 32.972 6.998 10.290 23 2HZ LYS 2 2HZ LYS 2 32.240 6.302 8.923 24 3HZ LYS 2 3HZ LYS 2 33.848 6.848 8.845 25 H ALA 3 H ALA 3 31.431 9.460 15.615 26 HA ALA 3 HA ALA 3 29.368 11.295 16.345 27 1HB ALA 3 1HB ALA 3 32.016 10.696 17.694 28 2HB ALA 3 2HB ALA 3 30.471 9.909 18.022 29 3HB ALA 3 3HB ALA 3 30.701 11.608 18.435 30 H ILE 4 H ILE 4 29.349 13.540 16.486 31 HA ILE 4 HA ILE 4 31.833 15.023 15.739 32 HB ILE 4 HB ILE 4 30.475 16.488 14.246 33 1HG1 ILE 4 1HG1 ILE 4 28.341 14.350 14.507 34 2HG1 ILE 4 2HG1 ILE 4 28.269 15.894 15.351 35 1HG2 ILE 4 1HG2 ILE 4 31.783 14.473 13.439 36 2HG2 ILE 4 2HG2 ILE 4 30.258 13.585 13.428 37 3HG2 ILE 4 3HG2 ILE 4 30.471 14.988 12.379 38 1HD1 ILE 4 1HD1 ILE 4 28.457 17.058 13.144 39 2HD1 ILE 4 2HD1 ILE 4 28.362 15.484 12.353 40 3HD1 ILE 4 3HD1 ILE 4 26.995 16.083 13.293 41 H PHE 5 H PHE 5 29.936 17.459 15.607 42 HA PHE 5 HA PHE 5 30.370 18.362 18.265 43 1HB PHE 5 1HB PHE 5 29.856 19.742 16.129 44 2HB PHE 5 2HB PHE 5 28.160 19.439 16.504 45 HD1 PHE 5 HD1 PHE 5 31.151 21.301 17.391 46 HD2 PHE 5 HD2 PHE 5 27.219 20.201 18.720 47 HE1 PHE 5 HE1 PHE 5 31.209 23.119 19.075 48 HE2 PHE 5 HE2 PHE 5 27.275 22.020 20.401 49 HZ PHE 5 HZ PHE 5 29.272 23.480 20.580 50 H VAL 6 H VAL 6 27.627 16.736 16.768 51 HA VAL 6 HA VAL 6 26.362 16.470 19.479 52 HB VAL 6 HB VAL 6 24.160 16.577 18.365 53 1HG1 VAL 6 1HG1 VAL 6 25.454 18.677 19.145 54 2HG1 VAL 6 2HG1 VAL 6 25.739 18.975 17.430 55 3HG1 VAL 6 3HG1 VAL 6 24.091 18.922 18.053 56 1HG2 VAL 6 1HG2 VAL 6 25.879 16.967 15.903 57 2HG2 VAL 6 2HG2 VAL 6 24.650 15.733 16.178 58 3HG2 VAL 6 3HG2 VAL 6 24.175 17.415 15.946 59 H LEU 7 H LEU 7 25.075 14.465 19.675 60 HA LEU 7 HA LEU 7 26.426 12.225 18.425 61 1HB LEU 7 1HB LEU 7 25.069 10.822 19.803 62 2HB LEU 7 2HB LEU 7 25.441 12.240 20.774 63 HG LEU 7 HG LEU 7 22.844 11.759 19.263 64 1HD1 LEU 7 1HD1 LEU 7 23.197 10.363 21.306 65 2HD1 LEU 7 2HD1 LEU 7 23.412 11.844 22.238 66 3HD1 LEU 7 3HD1 LEU 7 21.862 11.502 21.470 67 1HD2 LEU 7 1HD2 LEU 7 23.881 14.061 20.934 68 2HD2 LEU 7 2HD2 LEU 7 23.189 14.123 19.313 69 3HD2 LEU 7 3HD2 LEU 7 22.155 13.789 20.698 70 H ASN 8 H ASN 8 25.751 10.955 16.724 71 HA ASN 8 HA ASN 8 23.652 12.056 15.007 72 1HB ASN 8 1HB ASN 8 25.380 9.576 14.752 73 2HB ASN 8 2HB ASN 8 24.268 10.149 13.509 74 2HD2 ASN 8 2HD2 ASN 8 24.676 12.846 13.369 75 1HD2 ASN 8 1HD2 ASN 8 26.299 13.209 13.036 76 H ALA 9 H ALA 9 21.575 11.263 14.812 77 HA ALA 9 HA ALA 9 20.873 8.572 15.668 78 1HB ALA 9 1HB ALA 9 20.062 10.953 17.358 79 2HB ALA 9 2HB ALA 9 20.947 9.519 17.879 80 3HB ALA 9 3HB ALA 9 19.245 9.391 17.435 81 H GLN 10 H GLN 10 20.528 10.895 13.564 82 HA GLN 10 HA GLN 10 17.744 11.447 13.356 83 1HB GLN 10 1HB GLN 10 19.480 12.629 12.041 84 2HB GLN 10 2HB GLN 10 19.782 11.152 11.125 85 1HG GLN 10 1HG GLN 10 17.452 11.165 10.316 86 2HG GLN 10 2HG GLN 10 17.133 12.628 11.250 87 2HE2 GLN 10 2HE2 GLN 10 16.617 13.559 9.014 88 1HE2 GLN 10 1HE2 GLN 10 17.908 14.150 8.083 89 H HIS 11 H HIS 11 16.053 10.290 12.439 90 HA HIS 11 HA HIS 11 16.516 7.407 12.015 91 1HB HIS 11 1HB HIS 11 14.571 8.114 13.337 92 2HB HIS 11 2HB HIS 11 13.973 9.064 11.977 93 HD1 HIS 11 HD1 HIS 11 11.832 7.646 11.668 94 HD2 HIS 11 HD2 HIS 11 15.347 5.424 11.364 95 HE1 HIS 11 HE1 HIS 11 11.172 5.386 10.735 96 H ASP 12 H ASP 12 17.237 6.857 10.011 97 HA ASP 12 HA ASP 12 15.750 7.906 7.643 98 1HB ASP 12 1HB ASP 12 18.760 7.853 7.997 99 2HB ASP 12 2HB ASP 12 17.969 8.041 6.432 100 H GLU 13 H GLU 13 15.701 6.425 5.883 101 HA GLU 13 HA GLU 13 17.097 3.843 6.136 102 1HB GLU 13 1HB GLU 13 14.977 2.540 6.030 103 2HB GLU 13 2HB GLU 13 15.108 3.469 7.524 104 1HG GLU 13 1HG GLU 13 13.694 5.244 6.543 105 2HG GLU 13 2HG GLU 13 13.556 4.308 5.056 106 H ALA 14 H ALA 14 16.819 2.536 4.149 107 HA ALA 14 HA ALA 14 16.421 4.284 1.783 108 1HB ALA 14 1HB ALA 14 17.331 1.395 1.839 109 2HB ALA 14 2HB ALA 14 18.435 2.754 2.048 110 3HB ALA 14 3HB ALA 14 17.545 2.566 0.537 111 H VAL 15 H VAL 15 14.197 4.430 1.450 112 HA VAL 15 HA VAL 15 12.833 1.918 0.634 113 HB VAL 15 HB VAL 15 12.228 2.225 3.006 114 1HG1 VAL 15 1HG1 VAL 15 12.599 4.729 2.967 115 2HG1 VAL 15 2HG1 VAL 15 11.047 4.879 2.144 116 3HG1 VAL 15 3HG1 VAL 15 11.117 4.222 3.778 117 1HG2 VAL 15 1HG2 VAL 15 10.553 1.415 1.278 118 2HG2 VAL 15 2HG2 VAL 15 9.839 2.126 2.727 119 3HG2 VAL 15 3HG2 VAL 15 9.915 3.059 1.232 120 H ASP 16 H ASP 16 11.319 2.279 -1.017 121 HA ASP 16 HA ASP 16 11.430 4.935 -2.283 122 1HB ASP 16 1HB ASP 16 11.541 2.804 -3.610 123 2HB ASP 16 2HB ASP 16 9.869 2.482 -3.146 124 H ALA 17 H ALA 17 10.104 6.455 -1.426 125 HA ALA 17 HA ALA 17 7.577 5.723 -0.133 126 1HB ALA 17 1HB ALA 17 8.790 7.538 0.862 127 2HB ALA 17 2HB ALA 17 8.947 8.362 -0.687 128 3HB ALA 17 3HB ALA 17 7.371 8.250 0.097 129 H ASN 18 H ASN 18 6.821 4.730 -2.267 130 HA ASN 18 HA ASN 18 5.029 6.640 -3.568 131 1HB ASN 18 1HB ASN 18 7.235 6.853 -4.797 132 2HB ASN 18 2HB ASN 18 7.045 5.166 -5.280 133 2HD2 ASN 18 2HD2 ASN 18 5.181 8.257 -5.332 134 1HD2 ASN 18 1HD2 ASN 18 4.443 7.956 -6.830 135 H SER 19 H SER 19 6.466 3.368 -3.924 136 HA SER 19 HA SER 19 4.150 2.169 -5.087 137 1HB SER 19 1HB SER 19 6.373 1.076 -5.045 138 2HB SER 19 2HB SER 19 6.242 0.896 -3.299 139 HG SER 19 HG SER 19 4.022 -0.061 -4.252 140 H LEU 20 H LEU 20 5.250 2.181 -1.681 141 HA LEU 20 HA LEU 20 2.951 0.874 -0.622 142 1HB LEU 20 1HB LEU 20 4.965 2.786 0.568 143 2HB LEU 20 2HB LEU 20 3.634 2.160 1.530 144 HG LEU 20 HG LEU 20 5.874 0.895 1.656 145 1HD1 LEU 20 1HD1 LEU 20 3.576 0.004 2.334 146 2HD1 LEU 20 2HD1 LEU 20 3.549 -0.831 0.782 147 3HD1 LEU 20 3HD1 LEU 20 4.802 -1.203 1.960 148 1HD2 LEU 20 1HD2 LEU 20 6.241 0.956 -0.843 149 2HD2 LEU 20 2HD2 LEU 20 6.414 -0.639 -0.117 150 3HD2 LEU 20 3HD2 LEU 20 4.947 -0.232 -1.002 151 H ALA 21 H ALA 21 3.678 4.350 -0.933 152 HA ALA 21 HA ALA 21 1.198 5.244 0.132 153 1HB ALA 21 1HB ALA 21 2.966 6.616 -1.911 154 2HB ALA 21 2HB ALA 21 3.186 6.702 -0.163 155 3HB ALA 21 3HB ALA 21 1.744 7.396 -0.906 156 H GLU 22 H GLU 22 2.224 4.810 -3.278 157 HA GLU 22 HA GLU 22 -0.277 5.559 -4.419 158 1HB GLU 22 1HB GLU 22 1.855 5.248 -5.705 159 2HB GLU 22 2HB GLU 22 1.673 3.505 -5.501 160 1HG GLU 22 1HG GLU 22 -0.496 3.585 -6.665 161 2HG GLU 22 2HG GLU 22 -0.324 5.329 -6.870 162 H ALA 23 H ALA 23 0.926 2.408 -3.305 163 HA ALA 23 HA ALA 23 -1.292 0.847 -4.168 164 1HB ALA 23 1HB ALA 23 0.367 0.453 -1.656 165 2HB ALA 23 2HB ALA 23 0.849 -0.088 -3.266 166 3HB ALA 23 3HB ALA 23 -0.578 -0.779 -2.493 167 H LYS 24 H LYS 24 -0.680 2.462 -1.042 168 HA LYS 24 HA LYS 24 -3.253 1.775 0.058 169 1HB LYS 24 1HB LYS 24 -1.237 3.910 0.781 170 2HB LYS 24 2HB LYS 24 -2.690 3.585 1.725 171 1HG LYS 24 1HG LYS 24 -1.963 1.231 2.016 172 2HG LYS 24 2HG LYS 24 -0.492 1.582 1.113 173 1HD LYS 24 1HD LYS 24 -1.216 3.201 3.553 174 2HD LYS 24 2HD LYS 24 -0.395 1.653 3.717 175 1HE LYS 24 1HE LYS 24 1.404 2.475 2.205 176 2HE LYS 24 2HE LYS 24 0.605 4.044 2.140 177 1HZ LYS 24 1HZ LYS 24 0.749 4.030 4.637 178 2HZ LYS 24 2HZ LYS 24 1.811 2.716 4.491 179 3HZ LYS 24 3HZ LYS 24 2.220 4.217 3.808 180 H VAL 25 H VAL 25 -2.013 4.655 -1.649 181 HA VAL 25 HA VAL 25 -4.356 6.247 -1.287 182 HB VAL 25 HB VAL 25 -2.262 6.261 -3.468 183 1HG1 VAL 25 1HG1 VAL 25 -4.624 8.083 -2.982 184 2HG1 VAL 25 2HG1 VAL 25 -3.203 8.613 -3.882 185 3HG1 VAL 25 3HG1 VAL 25 -4.172 7.266 -4.478 186 1HG2 VAL 25 1HG2 VAL 25 -1.760 6.886 -0.983 187 2HG2 VAL 25 2HG2 VAL 25 -1.247 8.006 -2.243 188 3HG2 VAL 25 3HG2 VAL 25 -2.710 8.333 -1.315 189 H LEU 26 H LEU 26 -3.407 4.055 -3.948 190 HA LEU 26 HA LEU 26 -5.797 4.449 -5.468 191 1HB LEU 26 1HB LEU 26 -3.870 2.109 -5.338 192 2HB LEU 26 2HB LEU 26 -5.200 2.198 -6.491 193 HG LEU 26 HG LEU 26 -2.945 4.219 -6.240 194 1HD1 LEU 26 1HD1 LEU 26 -2.233 2.034 -7.164 195 2HD1 LEU 26 2HD1 LEU 26 -3.513 2.134 -8.372 196 3HD1 LEU 26 3HD1 LEU 26 -2.188 3.299 -8.393 197 1HD2 LEU 26 1HD2 LEU 26 -5.470 4.121 -7.873 198 2HD2 LEU 26 2HD2 LEU 26 -4.652 5.509 -7.157 199 3HD2 LEU 26 3HD2 LEU 26 -4.021 4.785 -8.630 200 H ALA 27 H ALA 27 -5.001 2.145 -2.882 201 HA ALA 27 HA ALA 27 -7.461 0.667 -3.084 202 1HB ALA 27 1HB ALA 27 -5.444 1.044 -0.866 203 2HB ALA 27 2HB ALA 27 -5.708 -0.381 -1.873 204 3HB ALA 27 3HB ALA 27 -6.893 0.062 -0.645 205 H ASN 28 H ASN 28 -6.486 3.432 -1.038 206 HA ASN 28 HA ASN 28 -8.897 3.626 0.461 207 1HB ASN 28 1HB ASN 28 -6.840 4.863 1.034 208 2HB ASN 28 2HB ASN 28 -7.027 5.848 -0.417 209 2HD2 ASN 28 2HD2 ASN 28 -7.123 6.675 2.490 210 1HD2 ASN 28 1HD2 ASN 28 -8.622 7.448 2.680 211 H ARG 29 H ARG 29 -8.013 5.017 -2.691 212 HA ARG 29 HA ARG 29 -10.363 6.609 -3.017 213 1HB ARG 29 1HB ARG 29 -8.513 5.333 -5.041 214 2HB ARG 29 2HB ARG 29 -9.826 6.423 -5.485 215 1HG ARG 29 1HG ARG 29 -8.862 8.179 -4.047 216 2HG ARG 29 2HG ARG 29 -7.545 7.096 -3.603 217 1HD ARG 29 1HD ARG 29 -6.724 8.512 -5.366 218 2HD ARG 29 2HD ARG 29 -6.997 6.917 -6.072 219 HE ARG 29 HE ARG 29 -9.387 8.229 -6.510 220 1HH1 ARG 29 1HH1 ARG 29 -9.796 9.458 -8.356 221 2HH1 ARG 29 2HH1 ARG 29 -8.472 10.153 -9.231 222 1HH2 ARG 29 1HH2 ARG 29 -6.052 8.879 -7.097 223 2HH2 ARG 29 2HH2 ARG 29 -6.351 9.825 -8.517 224 H GLU 30 H GLU 30 -9.706 3.207 -3.799 225 HA GLU 30 HA GLU 30 -12.074 2.706 -5.289 226 1HB GLU 30 1HB GLU 30 -10.437 0.895 -3.496 227 2HB GLU 30 2HB GLU 30 -11.768 0.319 -4.500 228 1HG GLU 30 1HG GLU 30 -9.411 1.867 -5.598 229 2HG GLU 30 2HG GLU 30 -9.484 0.106 -5.559 230 H LEU 31 H LEU 31 -11.496 2.633 -1.782 231 HA LEU 31 HA LEU 31 -14.004 1.548 -1.004 232 1HB LEU 31 1HB LEU 31 -12.632 3.763 0.540 233 2HB LEU 31 2HB LEU 31 -13.542 2.389 1.167 234 HG LEU 31 HG LEU 31 -10.826 2.348 -0.149 235 1HD1 LEU 31 1HD1 LEU 31 -11.017 2.973 2.285 236 2HD1 LEU 31 2HD1 LEU 31 -11.716 1.381 2.579 237 3HD1 LEU 31 3HD1 LEU 31 -10.060 1.523 1.987 238 1HD2 LEU 31 1HD2 LEU 31 -12.738 0.107 0.540 239 2HD2 LEU 31 2HD2 LEU 31 -11.898 0.393 -0.985 240 3HD2 LEU 31 3HD2 LEU 31 -10.999 -0.167 0.426 241 H ASP 32 H ASP 32 -13.002 4.889 -1.633 242 HA ASP 32 HA ASP 32 -15.447 6.173 -0.975 243 1HB ASP 32 1HB ASP 32 -13.326 7.366 -1.369 244 2HB ASP 32 2HB ASP 32 -13.389 6.916 -3.073 245 H LYS 33 H LYS 33 -14.313 4.753 -4.040 246 HA LYS 33 HA LYS 33 -16.520 5.538 -5.660 247 1HB LYS 33 1HB LYS 33 -14.365 4.488 -6.460 248 2HB LYS 33 2HB LYS 33 -14.971 2.940 -5.872 249 1HG LYS 33 1HG LYS 33 -17.064 3.440 -7.332 250 2HG LYS 33 2HG LYS 33 -16.050 4.652 -8.113 251 1HD LYS 33 1HD LYS 33 -15.407 1.698 -7.873 252 2HD LYS 33 2HD LYS 33 -15.948 2.519 -9.337 253 1HE LYS 33 1HE LYS 33 -13.594 2.415 -9.562 254 2HE LYS 33 2HE LYS 33 -13.903 4.060 -9.007 255 1HZ LYS 33 1HZ LYS 33 -13.596 2.152 -6.876 256 2HZ LYS 33 2HZ LYS 33 -12.207 2.311 -7.841 257 3HZ LYS 33 3HZ LYS 33 -12.871 3.675 -7.083 258 H TYR 34 H TYR 34 -15.996 2.554 -3.769 259 HA TYR 34 HA TYR 34 -18.592 1.461 -4.386 260 1HB TYR 34 1HB TYR 34 -16.581 0.844 -2.209 261 2HB TYR 34 2HB TYR 34 -18.076 -0.067 -2.432 262 HD1 TYR 34 HD1 TYR 34 -14.658 0.094 -3.348 263 HD2 TYR 34 HD2 TYR 34 -18.542 -0.835 -4.936 264 HE1 TYR 34 HE1 TYR 34 -13.604 -1.226 -5.160 265 HE2 TYR 34 HE2 TYR 34 -17.483 -2.161 -6.744 266 HH TYR 34 HH TYR 34 -14.486 -3.295 -6.678 267 H GLY 35 H GLY 35 -17.381 3.624 -1.898 268 1HA GLY 35 1HA GLY 35 -20.173 4.166 -1.074 269 2HA GLY 35 2HA GLY 35 -18.760 5.125 -0.640 270 H VAL 36 H VAL 36 -17.270 2.654 0.180 271 HA VAL 36 HA VAL 36 -18.674 1.281 2.249 272 HB VAL 36 HB VAL 36 -15.725 1.930 2.396 273 1HG1 VAL 36 1HG1 VAL 36 -17.006 0.560 4.166 274 2HG1 VAL 36 2HG1 VAL 36 -17.150 -0.684 2.929 275 3HG1 VAL 36 3HG1 VAL 36 -15.555 -0.173 3.487 276 1HG2 VAL 36 1HG2 VAL 36 -17.161 0.030 0.524 277 2HG2 VAL 36 2HG2 VAL 36 -16.047 1.324 0.092 278 3HG2 VAL 36 3HG2 VAL 36 -15.446 -0.117 0.908 279 H SER 37 H SER 37 -18.406 1.642 4.619 280 HA SER 37 HA SER 37 -19.257 4.112 5.509 281 1HB SER 37 1HB SER 37 -18.581 3.464 7.727 282 2HB SER 37 2HB SER 37 -19.104 2.014 6.878 283 HG SER 37 HG SER 37 -17.051 1.356 6.712 284 H ASP 38 H ASP 38 -16.146 3.502 6.957 285 HA ASP 38 HA ASP 38 -14.638 5.415 5.400 286 1HB ASP 38 1HB ASP 38 -16.367 6.868 6.623 287 2HB ASP 38 2HB ASP 38 -15.514 6.444 8.106 288 H TYR 39 H TYR 39 -15.025 4.117 8.741 289 HA TYR 39 HA TYR 39 -12.370 4.381 9.533 290 1HB TYR 39 1HB TYR 39 -12.817 2.121 10.808 291 2HB TYR 39 2HB TYR 39 -13.709 3.577 11.248 292 HD1 TYR 39 HD1 TYR 39 -13.903 0.271 9.719 293 HD2 TYR 39 HD2 TYR 39 -16.000 3.937 10.462 294 HE1 TYR 39 HE1 TYR 39 -16.042 -0.838 9.167 295 HE2 TYR 39 HE2 TYR 39 -18.131 2.835 9.912 296 HH TYR 39 HH TYR 39 -19.088 0.599 9.822 297 H TYR 40 H TYR 40 -13.586 2.469 6.992 298 HA TYR 40 HA TYR 40 -11.525 0.440 6.969 299 1HB TYR 40 1HB TYR 40 -13.328 1.523 4.788 300 2HB TYR 40 2HB TYR 40 -12.201 0.191 4.542 301 HD1 TYR 40 HD1 TYR 40 -15.444 1.151 5.795 302 HD2 TYR 40 HD2 TYR 40 -12.402 -1.871 6.023 303 HE1 TYR 40 HE1 TYR 40 -17.100 -0.447 6.719 304 HE2 TYR 40 HE2 TYR 40 -14.054 -3.468 6.953 305 HH TYR 40 HH TYR 40 -16.174 -3.454 8.105 306 H LYS 41 H LYS 41 -11.747 3.742 5.773 307 HA LYS 41 HA LYS 41 -9.516 3.563 3.982 308 1HB LYS 41 1HB LYS 41 -9.744 5.878 3.696 309 2HB LYS 41 2HB LYS 41 -11.379 5.377 4.126 310 1HG LYS 41 1HG LYS 41 -10.755 5.940 6.547 311 2HG LYS 41 2HG LYS 41 -9.326 6.731 5.886 312 1HD LYS 41 1HD LYS 41 -12.199 7.382 5.159 313 2HD LYS 41 2HD LYS 41 -11.148 8.361 6.182 314 1HE LYS 41 1HE LYS 41 -9.527 8.383 4.161 315 2HE LYS 41 2HE LYS 41 -10.912 7.826 3.220 316 1HZ LYS 41 1HZ LYS 41 -12.053 9.814 4.491 317 2HZ LYS 41 2HZ LYS 41 -10.460 10.402 4.517 318 3HZ LYS 41 3HZ LYS 41 -11.208 10.050 3.037 319 H ASN 42 H ASN 42 -9.774 4.471 7.431 320 HA ASN 42 HA ASN 42 -6.964 5.152 7.568 321 1HB ASN 42 1HB ASN 42 -7.246 5.355 9.937 322 2HB ASN 42 2HB ASN 42 -8.733 5.959 9.211 323 2HD2 ASN 42 2HD2 ASN 42 -7.350 3.342 11.134 324 1HD2 ASN 42 1HD2 ASN 42 -8.827 2.603 11.522 325 H LEU 43 H LEU 43 -8.802 2.233 7.738 326 HA LEU 43 HA LEU 43 -6.939 0.575 9.139 327 1HB LEU 43 1HB LEU 43 -9.271 -0.112 8.637 328 2HB LEU 43 2HB LEU 43 -8.883 -0.157 6.920 329 HG LEU 43 HG LEU 43 -7.186 -1.910 7.355 330 1HD1 LEU 43 1HD1 LEU 43 -8.002 -1.357 10.196 331 2HD1 LEU 43 2HD1 LEU 43 -7.535 -3.001 9.761 332 3HD1 LEU 43 3HD1 LEU 43 -6.402 -1.674 9.530 333 1HD2 LEU 43 1HD2 LEU 43 -9.624 -2.426 6.867 334 2HD2 LEU 43 2HD2 LEU 43 -8.754 -3.706 7.711 335 3HD2 LEU 43 3HD2 LEU 43 -9.849 -2.650 8.602 336 H ILE 44 H ILE 44 -7.274 1.489 5.733 337 HA ILE 44 HA ILE 44 -5.173 -0.204 4.728 338 HB ILE 44 HB ILE 44 -6.191 2.446 3.644 339 1HG1 ILE 44 1HG1 ILE 44 -8.065 0.932 3.847 340 2HG1 ILE 44 2HG1 ILE 44 -7.592 0.973 2.153 341 1HG2 ILE 44 1HG2 ILE 44 -4.590 0.188 2.431 342 2HG2 ILE 44 2HG2 ILE 44 -5.427 1.398 1.455 343 3HG2 ILE 44 3HG2 ILE 44 -4.142 1.889 2.559 344 1HD1 ILE 44 1HD1 ILE 44 -6.114 -1.100 2.789 345 2HD1 ILE 44 2HD1 ILE 44 -7.202 -1.212 4.173 346 3HD1 ILE 44 3HD1 ILE 44 -7.844 -1.315 2.539 347 H ASN 45 H ASN 45 -5.240 3.139 5.911 348 HA ASN 45 HA ASN 45 -2.668 3.981 5.210 349 1HB ASN 45 1HB ASN 45 -4.289 4.546 7.700 350 2HB ASN 45 2HB ASN 45 -2.788 5.390 7.312 351 2HD2 ASN 45 2HD2 ASN 45 -5.352 6.732 7.448 352 1HD2 ASN 45 1HD2 ASN 45 -5.725 7.290 5.889 353 H ASN 46 H ASN 46 -3.579 1.727 7.772 354 HA ASN 46 HA ASN 46 -0.805 1.748 8.837 355 1HB ASN 46 1HB ASN 46 -1.708 0.234 10.566 356 2HB ASN 46 2HB ASN 46 -2.648 1.721 10.448 357 2HD2 ASN 46 2HD2 ASN 46 -4.763 1.056 10.905 358 1HD2 ASN 46 1HD2 ASN 46 -5.563 -0.209 10.106 359 H ALA 47 H ALA 47 -1.831 0.482 6.139 360 HA ALA 47 HA ALA 47 -1.490 -2.346 6.352 361 1HB ALA 47 1HB ALA 47 -2.315 -0.996 4.325 362 2HB ALA 47 2HB ALA 47 -1.240 -2.351 3.983 363 3HB ALA 47 3HB ALA 47 -0.613 -0.702 3.968 364 H LYS 48 H LYS 48 0.344 -3.557 6.678 365 HA LYS 48 HA LYS 48 2.922 -2.109 6.939 366 1HB LYS 48 1HB LYS 48 2.041 -4.896 7.721 367 2HB LYS 48 2HB LYS 48 3.698 -4.316 7.899 368 1HG LYS 48 1HG LYS 48 2.902 -2.466 9.325 369 2HG LYS 48 2HG LYS 48 1.246 -3.047 9.152 370 1HD LYS 48 1HD LYS 48 1.885 -5.191 10.195 371 2HD LYS 48 2HD LYS 48 3.541 -4.610 10.372 372 1HE LYS 48 1HE LYS 48 2.783 -2.797 11.831 373 2HE LYS 48 2HE LYS 48 1.105 -3.292 11.608 374 1HZ LYS 48 1HZ LYS 48 2.053 -5.572 12.429 375 2HZ LYS 48 2HZ LYS 48 3.240 -4.586 13.142 376 3HZ LYS 48 3HZ LYS 48 1.606 -4.365 13.539 377 H THR 49 H THR 49 1.336 -4.306 4.749 378 HA THR 49 HA THR 49 3.838 -4.384 3.114 379 HB THR 49 HB THR 49 3.549 -6.759 2.661 380 HG1 THR 49 HG1 THR 49 1.910 -7.828 4.033 381 1HG2 THR 49 1HG2 THR 49 4.815 -6.029 4.703 382 2HG2 THR 49 2HG2 THR 49 3.347 -6.284 5.645 383 3HG2 THR 49 3HG2 THR 49 4.125 -7.646 4.841 384 H VAL 50 H VAL 50 3.458 -4.534 0.860 385 HA VAL 50 HA VAL 50 1.039 -3.315 -0.087 386 HB VAL 50 HB VAL 50 3.153 -4.880 -1.580 387 1HG1 VAL 50 1HG1 VAL 50 0.845 -3.169 -2.508 388 2HG1 VAL 50 2HG1 VAL 50 2.251 -3.472 -3.529 389 3HG1 VAL 50 3HG1 VAL 50 1.244 -4.817 -2.992 390 1HG2 VAL 50 1HG2 VAL 50 2.765 -1.899 -1.165 391 2HG2 VAL 50 2HG2 VAL 50 4.022 -2.885 -0.421 392 3HG2 VAL 50 3HG2 VAL 50 4.017 -2.635 -2.166 393 H GLU 51 H GLU 51 2.172 -6.686 -0.026 394 HA GLU 51 HA GLU 51 0.034 -7.808 -1.536 395 1HB GLU 51 1HB GLU 51 0.633 -9.928 -0.487 396 2HB GLU 51 2HB GLU 51 2.112 -9.040 -0.849 397 1HG GLU 51 1HG GLU 51 2.039 -8.152 1.525 398 2HG GLU 51 2HG GLU 51 0.737 -9.299 1.837 399 H GLY 52 H GLY 52 0.346 -6.893 1.843 400 1HA GLY 52 1HA GLY 52 -1.261 -6.723 3.540 401 2HA GLY 52 2HA GLY 52 -2.116 -8.051 2.751 402 H VAL 53 H VAL 53 -1.302 -5.057 1.070 403 HA VAL 53 HA VAL 53 -3.789 -3.706 1.574 404 HB VAL 53 HB VAL 53 -1.935 -3.470 -0.816 405 1HG1 VAL 53 1HG1 VAL 53 -4.254 -1.813 0.183 406 2HG1 VAL 53 2HG1 VAL 53 -3.002 -1.124 -0.849 407 3HG1 VAL 53 3HG1 VAL 53 -3.991 -2.461 -1.436 408 1HG2 VAL 53 1HG2 VAL 53 -0.955 -3.039 1.494 409 2HG2 VAL 53 2HG2 VAL 53 -0.878 -1.673 0.380 410 3HG2 VAL 53 3HG2 VAL 53 -2.106 -1.712 1.645 411 H LYS 54 H LYS 54 -2.736 -5.748 -1.181 412 HA LYS 54 HA LYS 54 -5.276 -5.616 -2.529 413 1HB LYS 54 1HB LYS 54 -3.006 -7.615 -2.684 414 2HB LYS 54 2HB LYS 54 -4.425 -7.672 -3.729 415 1HG LYS 54 1HG LYS 54 -3.924 -5.511 -4.662 416 2HG LYS 54 2HG LYS 54 -2.657 -5.230 -3.470 417 1HD LYS 54 1HD LYS 54 -1.615 -5.894 -5.566 418 2HD LYS 54 2HD LYS 54 -1.412 -7.194 -4.395 419 1HE LYS 54 1HE LYS 54 -3.774 -7.202 -6.270 420 2HE LYS 54 2HE LYS 54 -2.204 -7.796 -6.809 421 1HZ LYS 54 1HZ LYS 54 -2.816 -8.830 -4.250 422 2HZ LYS 54 2HZ LYS 54 -4.090 -9.160 -5.318 423 3HZ LYS 54 3HZ LYS 54 -2.513 -9.667 -5.697 424 H ALA 55 H ALA 55 -3.903 -7.936 -0.210 425 HA ALA 55 HA ALA 55 -6.032 -9.843 -0.366 426 1HB ALA 55 1HB ALA 55 -5.204 -10.556 1.902 427 2HB ALA 55 2HB ALA 55 -4.109 -9.173 1.877 428 3HB ALA 55 3HB ALA 55 -3.938 -10.457 0.679 429 H LEU 56 H LEU 56 -5.567 -6.982 1.670 430 HA LEU 56 HA LEU 56 -7.909 -7.451 3.264 431 1HB LEU 56 1HB LEU 56 -6.077 -6.048 4.043 432 2HB LEU 56 2HB LEU 56 -6.371 -4.904 2.738 433 HG LEU 56 HG LEU 56 -8.598 -4.410 3.641 434 1HD1 LEU 56 1HD1 LEU 56 -7.883 -6.643 5.535 435 2HD1 LEU 56 2HD1 LEU 56 -8.974 -5.366 6.071 436 3HD1 LEU 56 3HD1 LEU 56 -9.395 -6.353 4.675 437 1HD2 LEU 56 1HD2 LEU 56 -6.380 -3.344 4.533 438 2HD2 LEU 56 2HD2 LEU 56 -7.866 -3.073 5.440 439 3HD2 LEU 56 3HD2 LEU 56 -6.706 -4.280 5.992 440 H ILE 57 H ILE 57 -7.324 -5.534 0.314 441 HA ILE 57 HA ILE 57 -10.073 -4.554 0.249 442 HB ILE 57 HB ILE 57 -8.025 -4.769 -1.972 443 1HG1 ILE 57 1HG1 ILE 57 -7.245 -3.290 -0.176 444 2HG1 ILE 57 2HG1 ILE 57 -7.705 -2.325 -1.573 445 1HG2 ILE 57 1HG2 ILE 57 -10.738 -3.473 -1.802 446 2HG2 ILE 57 2HG2 ILE 57 -9.522 -2.911 -2.951 447 3HG2 ILE 57 3HG2 ILE 57 -10.108 -4.570 -3.029 448 1HD1 ILE 57 1HD1 ILE 57 -10.044 -2.196 -0.354 449 2HD1 ILE 57 2HD1 ILE 57 -9.100 -2.618 1.072 450 3HD1 ILE 57 3HD1 ILE 57 -8.725 -1.154 0.170 451 H ASP 58 H ASP 58 -8.239 -7.203 -1.193 452 HA ASP 58 HA ASP 58 -10.360 -8.182 -2.864 453 1HB ASP 58 1HB ASP 58 -7.936 -9.536 -1.665 454 2HB ASP 58 2HB ASP 58 -9.025 -10.334 -2.799 455 H GLU 59 H GLU 59 -9.434 -8.958 0.501 456 HA GLU 59 HA GLU 59 -11.432 -11.043 0.718 457 1HB GLU 59 1HB GLU 59 -10.793 -11.245 2.979 458 2HB GLU 59 2HB GLU 59 -9.317 -10.685 2.199 459 1HG GLU 59 1HG GLU 59 -9.987 -8.347 2.824 460 2HG GLU 59 2HG GLU 59 -11.279 -9.032 3.800 461 H ILE 60 H ILE 60 -11.306 -7.592 1.443 462 HA ILE 60 HA ILE 60 -13.909 -7.484 2.668 463 HB ILE 60 HB ILE 60 -12.158 -5.376 1.390 464 1HG1 ILE 60 1HG1 ILE 60 -12.924 -5.825 4.284 465 2HG1 ILE 60 2HG1 ILE 60 -11.480 -6.524 3.553 466 1HG2 ILE 60 1HG2 ILE 60 -14.852 -5.122 2.745 467 2HG2 ILE 60 2HG2 ILE 60 -13.722 -3.772 2.625 468 3HG2 ILE 60 3HG2 ILE 60 -14.374 -4.510 1.161 469 1HD1 ILE 60 1HD1 ILE 60 -10.799 -4.185 2.877 470 2HD1 ILE 60 2HD1 ILE 60 -12.146 -3.581 3.839 471 3HD1 ILE 60 3HD1 ILE 60 -10.828 -4.454 4.619 472 H LEU 61 H LEU 61 -12.743 -6.895 -0.655 473 HA LEU 61 HA LEU 61 -15.377 -6.250 -1.660 474 1HB LEU 61 1HB LEU 61 -12.827 -7.129 -3.053 475 2HB LEU 61 2HB LEU 61 -14.306 -6.723 -3.924 476 HG LEU 61 HG LEU 61 -12.763 -4.868 -2.079 477 1HD1 LEU 61 1HD1 LEU 61 -11.773 -5.476 -4.366 478 2HD1 LEU 61 2HD1 LEU 61 -13.163 -4.653 -5.070 479 3HD1 LEU 61 3HD1 LEU 61 -12.029 -3.756 -4.062 480 1HD2 LEU 61 1HD2 LEU 61 -15.416 -4.645 -3.482 481 2HD2 LEU 61 2HD2 LEU 61 -14.919 -4.003 -1.916 482 3HD2 LEU 61 3HD2 LEU 61 -14.402 -3.204 -3.398 483 H ALA 62 H ALA 62 -13.558 -9.225 -1.229 484 HA ALA 62 HA ALA 62 -15.170 -10.929 -2.847 485 1HB ALA 62 1HB ALA 62 -13.756 -11.565 -0.237 486 2HB ALA 62 2HB ALA 62 -14.347 -12.756 -1.396 487 3HB ALA 62 3HB ALA 62 -13.036 -11.664 -1.844 488 H ALA 63 H ALA 63 -15.491 -9.972 0.579 489 HA ALA 63 HA ALA 63 -17.804 -11.532 1.154 490 1HB ALA 63 1HB ALA 63 -18.173 -9.954 3.008 491 2HB ALA 63 2HB ALA 63 -16.466 -10.381 2.893 492 3HB ALA 63 3HB ALA 63 -17.030 -8.824 2.284 493 H LEU 64 H LEU 64 -17.549 -8.128 0.077 494 HA LEU 64 HA LEU 64 -20.401 -7.805 -0.182 495 1HB LEU 64 1HB LEU 64 -18.046 -6.268 -1.313 496 2HB LEU 64 2HB LEU 64 -19.713 -5.760 -1.557 497 HG LEU 64 HG LEU 64 -18.683 -6.305 1.231 498 1HD1 LEU 64 1HD1 LEU 64 -18.431 -3.703 -0.307 499 2HD1 LEU 64 2HD1 LEU 64 -18.120 -3.899 1.418 500 3HD1 LEU 64 3HD1 LEU 64 -17.096 -4.718 0.238 501 1HD2 LEU 64 1HD2 LEU 64 -20.872 -4.565 0.042 502 2HD2 LEU 64 2HD2 LEU 64 -21.077 -5.985 1.068 503 3HD2 LEU 64 3HD2 LEU 64 -20.396 -4.505 1.737 504 HA PRO 65 HA PRO 65 -21.032 -9.916 -4.052 505 1HB PRO 65 1HB PRO 65 -22.782 -8.015 -5.261 506 2HB PRO 65 2HB PRO 65 -23.245 -9.417 -4.291 507 1HG PRO 65 1HG PRO 65 -23.215 -6.563 -3.539 508 2HG PRO 65 2HG PRO 65 -24.088 -7.909 -2.793 509 1HD PRO 65 1HD PRO 65 -21.841 -6.640 -1.692 510 2HD PRO 65 2HD PRO 65 -22.432 -8.252 -1.225 No H/Q in entry = 510 Start of MODEL 30 1 H1 MET 1 H1 MET 1 35.045 -1.387 -10.781 2 H2 MET 1 H2 MET 1 35.073 -2.652 -9.648 3 H3 MET 1 H3 MET 1 35.417 -2.968 -11.279 4 HA MET 1 HA MET 1 33.242 -2.845 -11.935 5 1HB MET 1 1HB MET 1 33.618 -4.701 -10.271 6 2HB MET 1 2HB MET 1 32.985 -3.636 -9.019 7 1HG MET 1 1HG MET 1 31.150 -5.003 -9.761 8 2HG MET 1 2HG MET 1 30.887 -3.390 -10.417 9 1HE MET 1 1HE MET 1 31.671 -6.971 -10.855 10 2HE MET 1 2HE MET 1 31.919 -7.265 -12.580 11 3HE MET 1 3HE MET 1 33.206 -6.556 -11.612 12 H LYS 2 H LYS 2 32.755 -1.901 -8.536 13 HA LYS 2 HA LYS 2 31.710 0.741 -9.372 14 1HB LYS 2 1HB LYS 2 29.757 -0.773 -9.548 15 2HB LYS 2 2HB LYS 2 30.012 -1.287 -7.880 16 1HG LYS 2 1HG LYS 2 29.548 0.912 -7.039 17 2HG LYS 2 2HG LYS 2 29.583 1.606 -8.659 18 1HD LYS 2 1HD LYS 2 27.263 1.342 -7.959 19 2HD LYS 2 2HD LYS 2 27.605 0.203 -9.260 20 1HE LYS 2 1HE LYS 2 27.698 -1.639 -7.780 21 2HE LYS 2 2HE LYS 2 27.886 -0.602 -6.367 22 1HZ LYS 2 1HZ LYS 2 25.471 -0.360 -8.018 23 2HZ LYS 2 2HZ LYS 2 25.594 -1.643 -6.911 24 3HZ LYS 2 3HZ LYS 2 25.681 -0.036 -6.366 25 H ALA 3 H ALA 3 31.367 2.151 -7.479 26 HA ALA 3 HA ALA 3 33.424 1.805 -5.495 27 1HB ALA 3 1HB ALA 3 32.709 3.895 -4.623 28 2HB ALA 3 2HB ALA 3 32.391 4.003 -6.354 29 3HB ALA 3 3HB ALA 3 31.069 3.682 -5.234 30 H ILE 4 H ILE 4 32.306 -0.494 -5.108 31 HA ILE 4 HA ILE 4 30.650 -0.226 -2.620 32 HB ILE 4 HB ILE 4 29.287 -1.004 -4.563 33 1HG1 ILE 4 1HG1 ILE 4 29.745 -3.281 -2.627 34 2HG1 ILE 4 2HG1 ILE 4 28.955 -1.780 -2.144 35 1HG2 ILE 4 1HG2 ILE 4 31.328 -2.176 -5.616 36 2HG2 ILE 4 2HG2 ILE 4 30.973 -3.508 -4.516 37 3HG2 ILE 4 3HG2 ILE 4 29.780 -3.013 -5.716 38 1HD1 ILE 4 1HD1 ILE 4 27.298 -2.107 -3.985 39 2HD1 ILE 4 2HD1 ILE 4 28.045 -3.667 -4.337 40 3HD1 ILE 4 3HD1 ILE 4 27.250 -3.397 -2.787 41 H PHE 5 H PHE 5 31.576 -1.270 -0.909 42 HA PHE 5 HA PHE 5 33.892 -3.094 -1.457 43 1HB PHE 5 1HB PHE 5 33.154 -1.424 0.960 44 2HB PHE 5 2HB PHE 5 34.476 -2.591 0.947 45 HD1 PHE 5 HD1 PHE 5 33.297 0.663 -0.290 46 HD2 PHE 5 HD2 PHE 5 36.466 -2.233 -0.452 47 HE1 PHE 5 HE1 PHE 5 34.781 2.345 -1.348 48 HE2 PHE 5 HE2 PHE 5 37.949 -0.551 -1.509 49 HZ PHE 5 HZ PHE 5 37.107 1.737 -1.956 50 H VAL 6 H VAL 6 30.704 -3.403 -0.908 51 HA VAL 6 HA VAL 6 31.034 -5.802 0.881 52 HB VAL 6 HB VAL 6 28.655 -5.414 1.525 53 1HG1 VAL 6 1HG1 VAL 6 30.535 -4.500 2.882 54 2HG1 VAL 6 2HG1 VAL 6 30.449 -3.005 1.953 55 3HG1 VAL 6 3HG1 VAL 6 29.093 -3.488 2.973 56 1HG2 VAL 6 1HG2 VAL 6 29.042 -2.881 -0.097 57 2HG2 VAL 6 2HG2 VAL 6 27.935 -4.197 -0.480 58 3HG2 VAL 6 3HG2 VAL 6 27.661 -3.203 0.950 59 H LEU 7 H LEU 7 29.868 -7.691 0.267 60 HA LEU 7 HA LEU 7 29.483 -8.008 -2.591 61 1HB LEU 7 1HB LEU 7 28.817 -9.819 -0.252 62 2HB LEU 7 2HB LEU 7 28.642 -10.296 -1.938 63 HG LEU 7 HG LEU 7 31.252 -9.340 -0.718 64 1HD1 LEU 7 1HD1 LEU 7 30.373 -11.485 0.280 65 2HD1 LEU 7 2HD1 LEU 7 30.409 -12.184 -1.339 66 3HD1 LEU 7 3HD1 LEU 7 31.908 -11.663 -0.570 67 1HD2 LEU 7 1HD2 LEU 7 30.425 -10.442 -3.407 68 2HD2 LEU 7 2HD2 LEU 7 31.471 -9.067 -3.044 69 3HD2 LEU 7 3HD2 LEU 7 32.067 -10.707 -2.820 70 H ASN 8 H ASN 8 27.020 -9.619 -0.900 71 HA ASN 8 HA ASN 8 24.970 -7.823 -2.124 72 1HB ASN 8 1HB ASN 8 23.443 -9.713 -1.893 73 2HB ASN 8 2HB ASN 8 24.915 -10.253 -2.700 74 2HD2 ASN 8 2HD2 ASN 8 23.246 -12.106 -1.298 75 1HD2 ASN 8 1HD2 ASN 8 24.086 -12.662 0.067 76 H ALA 9 H ALA 9 25.838 -6.506 -0.027 77 HA ALA 9 HA ALA 9 24.890 -7.267 2.553 78 1HB ALA 9 1HB ALA 9 26.454 -5.470 2.459 79 2HB ALA 9 2HB ALA 9 25.462 -4.569 1.312 80 3HB ALA 9 3HB ALA 9 24.940 -4.741 2.987 81 H GLN 10 H GLN 10 23.268 -5.879 -0.205 82 HA GLN 10 HA GLN 10 20.880 -5.138 1.349 83 1HB GLN 10 1HB GLN 10 19.930 -4.708 -0.985 84 2HB GLN 10 2HB GLN 10 21.305 -3.711 -0.519 85 1HG GLN 10 1HG GLN 10 21.739 -6.311 -1.990 86 2HG GLN 10 2HG GLN 10 21.313 -4.849 -2.875 87 2HE2 GLN 10 2HE2 GLN 10 23.036 -3.966 -0.093 88 1HE2 GLN 10 1HE2 GLN 10 24.578 -3.830 -0.789 89 H HIS 11 H HIS 11 21.561 -7.881 1.624 90 HA HIS 11 HA HIS 11 20.206 -9.602 -0.198 91 1HB HIS 11 1HB HIS 11 21.752 -10.432 1.548 92 2HB HIS 11 2HB HIS 11 20.603 -9.946 2.794 93 HD1 HIS 11 HD1 HIS 11 18.459 -11.371 3.075 94 HD2 HIS 11 HD2 HIS 11 20.991 -12.756 0.067 95 HE1 HIS 11 HE1 HIS 11 17.609 -13.667 2.425 96 H ASP 12 H ASP 12 19.071 -7.936 2.739 97 HA ASP 12 HA ASP 12 16.298 -8.865 2.219 98 1HB ASP 12 1HB ASP 12 15.785 -7.778 4.370 99 2HB ASP 12 2HB ASP 12 17.148 -8.882 4.542 100 H GLU 13 H GLU 13 15.912 -7.636 0.252 101 HA GLU 13 HA GLU 13 16.298 -4.771 0.174 102 1HB GLU 13 1HB GLU 13 15.025 -4.832 -1.903 103 2HB GLU 13 2HB GLU 13 16.159 -6.180 -1.873 104 1HG GLU 13 1HG GLU 13 14.190 -7.237 -2.567 105 2HG GLU 13 2HG GLU 13 14.146 -7.513 -0.827 106 H ALA 14 H ALA 14 14.789 -3.127 0.467 107 HA ALA 14 HA ALA 14 12.372 -3.878 2.059 108 1HB ALA 14 1HB ALA 14 12.531 -1.287 2.549 109 2HB ALA 14 2HB ALA 14 14.181 -1.480 1.959 110 3HB ALA 14 3HB ALA 14 13.635 -2.402 3.357 111 H VAL 15 H VAL 15 10.494 -2.288 1.746 112 HA VAL 15 HA VAL 15 9.904 -2.113 -1.150 113 HB VAL 15 HB VAL 15 8.162 -1.532 1.267 114 1HG1 VAL 15 1HG1 VAL 15 7.542 -1.850 -1.682 115 2HG1 VAL 15 2HG1 VAL 15 6.317 -1.825 -0.414 116 3HG1 VAL 15 3HG1 VAL 15 7.318 -0.402 -0.701 117 1HG2 VAL 15 1HG2 VAL 15 8.401 -3.997 -0.490 118 2HG2 VAL 15 2HG2 VAL 15 8.865 -3.878 1.209 119 3HG2 VAL 15 3HG2 VAL 15 7.168 -3.755 0.747 120 H ASP 16 H ASP 16 9.775 -0.183 -2.261 121 HA ASP 16 HA ASP 16 10.931 2.195 -1.200 122 1HB ASP 16 1HB ASP 16 9.096 1.750 -3.573 123 2HB ASP 16 2HB ASP 16 9.861 3.299 -3.218 124 H ALA 17 H ALA 17 10.026 3.955 -0.169 125 HA ALA 17 HA ALA 17 7.579 3.662 1.252 126 1HB ALA 17 1HB ALA 17 9.369 5.172 1.986 127 2HB ALA 17 2HB ALA 17 9.117 6.185 0.564 128 3HB ALA 17 3HB ALA 17 7.860 6.065 1.796 129 H ASN 18 H ASN 18 8.306 5.354 -1.797 130 HA ASN 18 HA ASN 18 5.764 6.597 -2.122 131 1HB ASN 18 1HB ASN 18 7.807 5.639 -4.137 132 2HB ASN 18 2HB ASN 18 6.347 6.514 -4.601 133 2HD2 ASN 18 2HD2 ASN 18 6.117 8.437 -2.609 134 1HD2 ASN 18 1HD2 ASN 18 7.479 9.451 -2.610 135 H SER 19 H SER 19 6.887 3.344 -3.050 136 HA SER 19 HA SER 19 4.580 2.583 -4.532 137 1HB SER 19 1HB SER 19 6.459 0.923 -2.835 138 2HB SER 19 2HB SER 19 5.234 0.240 -3.900 139 HG SER 19 HG SER 19 6.342 1.767 -5.500 140 H LEU 20 H LEU 20 5.252 2.423 -1.041 141 HA LEU 20 HA LEU 20 2.849 1.035 -0.341 142 1HB LEU 20 1HB LEU 20 4.771 2.808 1.150 143 2HB LEU 20 2HB LEU 20 3.293 2.266 1.940 144 HG LEU 20 HG LEU 20 5.089 0.261 0.561 145 1HD1 LEU 20 1HD1 LEU 20 5.400 1.285 3.402 146 2HD1 LEU 20 2HD1 LEU 20 6.260 -0.088 2.708 147 3HD1 LEU 20 3HD1 LEU 20 6.549 1.535 2.086 148 1HD2 LEU 20 1HD2 LEU 20 3.145 0.163 2.897 149 2HD2 LEU 20 2HD2 LEU 20 2.919 -0.562 1.308 150 3HD2 LEU 20 3HD2 LEU 20 4.150 -1.193 2.397 151 H ALA 21 H ALA 21 3.604 4.523 -0.413 152 HA ALA 21 HA ALA 21 1.048 5.405 0.431 153 1HB ALA 21 1HB ALA 21 3.013 6.770 -1.430 154 2HB ALA 21 2HB ALA 21 2.986 6.909 0.327 155 3HB ALA 21 3HB ALA 21 1.656 7.560 -0.629 156 H GLU 22 H GLU 22 2.311 4.968 -2.899 157 HA GLU 22 HA GLU 22 -0.091 5.740 -4.213 158 1HB GLU 22 1HB GLU 22 2.151 5.376 -5.314 159 2HB GLU 22 2HB GLU 22 1.861 3.640 -5.185 160 1HG GLU 22 1HG GLU 22 -0.200 3.870 -6.499 161 2HG GLU 22 2HG GLU 22 0.060 5.609 -6.621 162 H ALA 23 H ALA 23 1.003 2.504 -3.166 163 HA ALA 23 HA ALA 23 -1.249 1.071 -4.160 164 1HB ALA 23 1HB ALA 23 0.446 0.523 -1.701 165 2HB ALA 23 2HB ALA 23 0.766 -0.070 -3.331 166 3HB ALA 23 3HB ALA 23 -0.655 -0.633 -2.450 167 H LYS 24 H LYS 24 -0.677 2.666 -1.032 168 HA LYS 24 HA LYS 24 -3.248 1.953 0.072 169 1HB LYS 24 1HB LYS 24 -1.238 4.109 0.770 170 2HB LYS 24 2HB LYS 24 -2.706 3.813 1.704 171 1HG LYS 24 1HG LYS 24 -2.001 1.478 2.085 172 2HG LYS 24 2HG LYS 24 -0.531 1.770 1.155 173 1HD LYS 24 1HD LYS 24 0.148 3.511 2.764 174 2HD LYS 24 2HD LYS 24 -1.318 3.223 3.697 175 1HE LYS 24 1HE LYS 24 -0.630 1.006 4.266 176 2HE LYS 24 2HE LYS 24 0.686 1.040 3.095 177 1HZ LYS 24 1HZ LYS 24 1.700 2.838 4.392 178 2HZ LYS 24 2HZ LYS 24 0.458 2.706 5.542 179 3HZ LYS 24 3HZ LYS 24 1.534 1.415 5.300 180 H VAL 25 H VAL 25 -2.007 4.793 -1.679 181 HA VAL 25 HA VAL 25 -4.406 6.350 -1.419 182 HB VAL 25 HB VAL 25 -2.144 6.446 -3.420 183 1HG1 VAL 25 1HG1 VAL 25 -4.571 8.224 -3.111 184 2HG1 VAL 25 2HG1 VAL 25 -3.096 8.762 -3.913 185 3HG1 VAL 25 3HG1 VAL 25 -4.010 7.404 -4.567 186 1HG2 VAL 25 1HG2 VAL 25 -1.836 7.049 -0.926 187 2HG2 VAL 25 2HG2 VAL 25 -1.334 8.257 -2.108 188 3HG2 VAL 25 3HG2 VAL 25 -2.871 8.433 -1.260 189 H LEU 26 H LEU 26 -3.244 4.176 -4.015 190 HA LEU 26 HA LEU 26 -5.459 4.566 -5.765 191 1HB LEU 26 1HB LEU 26 -3.665 2.164 -5.326 192 2HB LEU 26 2HB LEU 26 -4.867 2.240 -6.611 193 HG LEU 26 HG LEU 26 -2.639 4.268 -6.241 194 1HD1 LEU 26 1HD1 LEU 26 -2.846 1.855 -8.069 195 2HD1 LEU 26 2HD1 LEU 26 -1.607 3.103 -8.202 196 3HD1 LEU 26 3HD1 LEU 26 -1.685 2.084 -6.763 197 1HD2 LEU 26 1HD2 LEU 26 -4.829 3.848 -8.277 198 2HD2 LEU 26 2HD2 LEU 26 -4.256 5.347 -7.552 199 3HD2 LEU 26 3HD2 LEU 26 -3.298 4.554 -8.793 200 H ALA 27 H ALA 27 -4.961 2.179 -3.173 201 HA ALA 27 HA ALA 27 -7.538 0.931 -3.524 202 1HB ALA 27 1HB ALA 27 -5.948 -0.392 -2.397 203 2HB ALA 27 2HB ALA 27 -5.465 0.931 -1.337 204 3HB ALA 27 3HB ALA 27 -7.019 0.135 -1.099 205 H ASN 28 H ASN 28 -6.399 3.690 -1.662 206 HA ASN 28 HA ASN 28 -8.564 3.922 0.160 207 1HB ASN 28 1HB ASN 28 -6.501 5.257 0.334 208 2HB ASN 28 2HB ASN 28 -6.936 6.128 -1.137 209 2HD2 ASN 28 2HD2 ASN 28 -7.766 5.698 2.283 210 1HD2 ASN 28 1HD2 ASN 28 -8.785 7.052 2.386 211 H ARG 29 H ARG 29 -8.208 5.431 -3.088 212 HA ARG 29 HA ARG 29 -10.822 6.637 -2.962 213 1HB ARG 29 1HB ARG 29 -10.523 6.888 -5.463 214 2HB ARG 29 2HB ARG 29 -9.275 7.625 -4.463 215 1HG ARG 29 1HG ARG 29 -7.706 5.918 -4.948 216 2HG ARG 29 2HG ARG 29 -8.952 4.807 -5.497 217 1HD ARG 29 1HD ARG 29 -8.736 5.548 -7.634 218 2HD ARG 29 2HD ARG 29 -9.018 7.213 -7.152 219 HE ARG 29 HE ARG 29 -6.526 6.100 -7.958 220 1HH1 ARG 29 1HH1 ARG 29 -4.566 7.086 -7.487 221 2HH1 ARG 29 2HH1 ARG 29 -4.466 8.204 -6.169 222 1HH2 ARG 29 1HH2 ARG 29 -7.815 7.947 -5.346 223 2HH2 ARG 29 2HH2 ARG 29 -6.302 8.693 -4.960 224 H GLU 30 H GLU 30 -9.731 3.455 -4.012 225 HA GLU 30 HA GLU 30 -11.985 2.775 -5.609 226 1HB GLU 30 1HB GLU 30 -10.205 1.060 -3.868 227 2HB GLU 30 2HB GLU 30 -11.446 0.393 -4.931 228 1HG GLU 30 1HG GLU 30 -10.385 1.315 -6.879 229 2HG GLU 30 2HG GLU 30 -9.262 2.254 -5.896 230 H LEU 31 H LEU 31 -11.491 2.244 -2.102 231 HA LEU 31 HA LEU 31 -14.075 1.100 -1.647 232 1HB LEU 31 1HB LEU 31 -12.590 2.804 0.367 233 2HB LEU 31 2HB LEU 31 -13.636 1.418 0.672 234 HG LEU 31 HG LEU 31 -10.895 1.418 -0.589 235 1HD1 LEU 31 1HD1 LEU 31 -11.220 1.430 1.957 236 2HD1 LEU 31 2HD1 LEU 31 -11.916 -0.178 1.768 237 3HD1 LEU 31 3HD1 LEU 31 -10.241 0.118 1.302 238 1HD2 LEU 31 1HD2 LEU 31 -13.037 -0.717 -0.516 239 2HD2 LEU 31 2HD2 LEU 31 -12.076 -0.175 -1.892 240 3HD2 LEU 31 3HD2 LEU 31 -11.330 -1.146 -0.625 241 H ASP 32 H ASP 32 -12.882 4.417 -1.599 242 HA ASP 32 HA ASP 32 -15.234 5.701 -0.658 243 1HB ASP 32 1HB ASP 32 -13.033 6.799 -0.866 244 2HB ASP 32 2HB ASP 32 -13.144 6.687 -2.621 245 H LYS 33 H LYS 33 -14.219 4.763 -3.939 246 HA LYS 33 HA LYS 33 -16.364 5.979 -5.361 247 1HB LYS 33 1HB LYS 33 -14.373 5.027 -6.474 248 2HB LYS 33 2HB LYS 33 -14.890 3.408 -6.001 249 1HG LYS 33 1HG LYS 33 -16.875 3.556 -7.353 250 2HG LYS 33 2HG LYS 33 -16.603 5.271 -7.661 251 1HD LYS 33 1HD LYS 33 -15.915 3.934 -9.606 252 2HD LYS 33 2HD LYS 33 -14.518 4.719 -8.872 253 1HE LYS 33 1HE LYS 33 -15.286 1.928 -8.038 254 2HE LYS 33 2HE LYS 33 -14.351 2.189 -9.509 255 1HZ LYS 33 1HZ LYS 33 -13.348 3.715 -7.316 256 2HZ LYS 33 2HZ LYS 33 -13.359 2.051 -6.970 257 3HZ LYS 33 3HZ LYS 33 -12.536 2.626 -8.337 258 H TYR 34 H TYR 34 -16.083 2.663 -4.044 259 HA TYR 34 HA TYR 34 -18.771 1.935 -4.801 260 1HB TYR 34 1HB TYR 34 -16.815 0.740 -2.828 261 2HB TYR 34 2HB TYR 34 -18.395 0.032 -3.162 262 HD1 TYR 34 HD1 TYR 34 -14.977 0.200 -4.219 263 HD2 TYR 34 HD2 TYR 34 -18.982 -0.393 -5.660 264 HE1 TYR 34 HE1 TYR 34 -14.084 -0.877 -6.264 265 HE2 TYR 34 HE2 TYR 34 -18.086 -1.473 -7.703 266 HH TYR 34 HH TYR 34 -15.518 -1.189 -8.954 267 H GLY 35 H GLY 35 -17.364 3.489 -1.981 268 1HA GLY 35 1HA GLY 35 -20.120 4.023 -0.988 269 2HA GLY 35 2HA GLY 35 -18.670 4.912 -0.531 270 H VAL 36 H VAL 36 -17.321 2.132 -0.194 271 HA VAL 36 HA VAL 36 -18.676 0.785 1.940 272 HB VAL 36 HB VAL 36 -15.664 0.886 1.717 273 1HG1 VAL 36 1HG1 VAL 36 -17.655 -1.314 2.355 274 2HG1 VAL 36 2HG1 VAL 36 -15.902 -1.494 2.349 275 3HG1 VAL 36 3HG1 VAL 36 -16.675 -0.441 3.532 276 1HG2 VAL 36 1HG2 VAL 36 -17.650 -0.427 -0.149 277 2HG2 VAL 36 2HG2 VAL 36 -16.294 0.621 -0.563 278 3HG2 VAL 36 3HG2 VAL 36 -15.995 -1.016 0.021 279 H SER 37 H SER 37 -17.864 0.772 4.258 280 HA SER 37 HA SER 37 -18.060 3.348 5.414 281 1HB SER 37 1HB SER 37 -16.783 0.857 6.580 282 2HB SER 37 2HB SER 37 -17.280 2.272 7.503 283 HG SER 37 HG SER 37 -19.346 1.633 6.058 284 H ASP 38 H ASP 38 -16.476 4.758 6.291 285 HA ASP 38 HA ASP 38 -13.999 4.899 4.820 286 1HB ASP 38 1HB ASP 38 -13.514 6.843 6.219 287 2HB ASP 38 2HB ASP 38 -15.201 6.897 5.707 288 H TYR 39 H TYR 39 -14.935 3.135 7.550 289 HA TYR 39 HA TYR 39 -12.567 3.131 9.122 290 1HB TYR 39 1HB TYR 39 -14.609 2.118 9.952 291 2HB TYR 39 2HB TYR 39 -14.618 0.953 8.627 292 HD1 TYR 39 HD1 TYR 39 -13.062 1.886 11.826 293 HD2 TYR 39 HD2 TYR 39 -12.997 -0.869 8.533 294 HE1 TYR 39 HE1 TYR 39 -11.617 0.352 13.136 295 HE2 TYR 39 HE2 TYR 39 -11.558 -2.398 9.835 296 HH TYR 39 HH TYR 39 -10.843 -2.872 11.981 297 H TYR 40 H TYR 40 -13.502 1.084 6.355 298 HA TYR 40 HA TYR 40 -11.245 -0.625 6.386 299 1HB TYR 40 1HB TYR 40 -12.923 0.344 4.059 300 2HB TYR 40 2HB TYR 40 -11.754 -0.974 3.961 301 HD1 TYR 40 HD1 TYR 40 -12.095 -3.056 5.257 302 HD2 TYR 40 HD2 TYR 40 -15.048 0.056 5.169 303 HE1 TYR 40 HE1 TYR 40 -13.787 -4.641 6.137 304 HE2 TYR 40 HE2 TYR 40 -16.743 -1.525 6.053 305 HH TYR 40 HH TYR 40 -16.440 -4.761 5.990 306 H LYS 41 H LYS 41 -11.656 2.567 4.819 307 HA LYS 41 HA LYS 41 -9.145 2.518 3.440 308 1HB LYS 41 1HB LYS 41 -10.814 4.817 4.499 309 2HB LYS 41 2HB LYS 41 -9.366 5.042 3.517 310 1HG LYS 41 1HG LYS 41 -10.402 3.622 1.740 311 2HG LYS 41 2HG LYS 41 -11.873 3.540 2.706 312 1HD LYS 41 1HD LYS 41 -10.674 6.209 1.969 313 2HD LYS 41 2HD LYS 41 -11.712 5.351 0.837 314 1HE LYS 41 1HE LYS 41 -13.476 5.237 2.590 315 2HE LYS 41 2HE LYS 41 -12.454 6.216 3.643 316 1HZ LYS 41 1HZ LYS 41 -12.549 7.510 1.200 317 2HZ LYS 41 2HZ LYS 41 -14.143 7.046 1.538 318 3HZ LYS 41 3HZ LYS 41 -13.282 7.995 2.653 319 H ASN 42 H ASN 42 -10.138 3.585 6.655 320 HA ASN 42 HA ASN 42 -7.633 4.628 7.482 321 1HB ASN 42 1HB ASN 42 -9.719 4.967 8.762 322 2HB ASN 42 2HB ASN 42 -9.755 3.247 9.152 323 2HD2 ASN 42 2HD2 ASN 42 -7.700 6.170 9.548 324 1HD2 ASN 42 1HD2 ASN 42 -6.982 5.654 10.998 325 H LEU 43 H LEU 43 -8.988 1.345 7.639 326 HA LEU 43 HA LEU 43 -6.819 0.145 9.037 327 1HB LEU 43 1HB LEU 43 -8.986 -0.985 8.701 328 2HB LEU 43 2HB LEU 43 -8.675 -1.081 6.970 329 HG LEU 43 HG LEU 43 -6.737 -2.522 7.363 330 1HD1 LEU 43 1HD1 LEU 43 -7.319 -1.857 10.244 331 2HD1 LEU 43 2HD1 LEU 43 -6.561 -3.400 9.846 332 3HD1 LEU 43 3HD1 LEU 43 -5.770 -1.891 9.401 333 1HD2 LEU 43 1HD2 LEU 43 -9.133 -3.429 7.296 334 2HD2 LEU 43 2HD2 LEU 43 -7.928 -4.486 8.032 335 3HD2 LEU 43 3HD2 LEU 43 -9.026 -3.556 9.051 336 H ILE 44 H ILE 44 -7.356 0.722 5.579 337 HA ILE 44 HA ILE 44 -5.065 -0.668 4.601 338 HB ILE 44 HB ILE 44 -6.534 1.780 3.581 339 1HG1 ILE 44 1HG1 ILE 44 -7.566 -0.650 3.687 340 2HG1 ILE 44 2HG1 ILE 44 -7.774 0.323 2.237 341 1HG2 ILE 44 1HG2 ILE 44 -4.237 0.243 2.365 342 2HG2 ILE 44 2HG2 ILE 44 -5.350 1.196 1.384 343 3HG2 ILE 44 3HG2 ILE 44 -4.373 1.983 2.624 344 1HD1 ILE 44 1HD1 ILE 44 -5.515 -1.677 2.567 345 2HD1 ILE 44 2HD1 ILE 44 -7.060 -2.077 1.822 346 3HD1 ILE 44 3HD1 ILE 44 -6.021 -0.862 1.087 347 H ASN 45 H ASN 45 -5.499 2.623 5.835 348 HA ASN 45 HA ASN 45 -2.976 3.698 5.242 349 1HB ASN 45 1HB ASN 45 -4.927 4.895 6.317 350 2HB ASN 45 2HB ASN 45 -4.461 4.136 7.839 351 2HD2 ASN 45 2HD2 ASN 45 -4.087 6.495 8.509 352 1HD2 ASN 45 1HD2 ASN 45 -2.585 7.192 8.139 353 H ASN 46 H ASN 46 -3.881 1.332 7.670 354 HA ASN 46 HA ASN 46 -1.135 1.412 8.847 355 1HB ASN 46 1HB ASN 46 -3.169 1.471 10.336 356 2HB ASN 46 2HB ASN 46 -3.550 -0.159 9.781 357 2HD2 ASN 46 2HD2 ASN 46 -2.966 -1.544 11.467 358 1HD2 ASN 46 1HD2 ASN 46 -1.484 -1.492 12.294 359 H ALA 47 H ALA 47 -2.077 0.102 6.169 360 HA ALA 47 HA ALA 47 -1.932 -2.729 6.477 361 1HB ALA 47 1HB ALA 47 -2.504 -1.319 4.364 362 2HB ALA 47 2HB ALA 47 -1.632 -2.835 4.140 363 3HB ALA 47 3HB ALA 47 -0.763 -1.303 4.085 364 H LYS 48 H LYS 48 -0.201 -4.089 6.823 365 HA LYS 48 HA LYS 48 2.296 -2.957 7.707 366 1HB LYS 48 1HB LYS 48 1.468 -5.797 7.076 367 2HB LYS 48 2HB LYS 48 3.052 -5.378 7.727 368 1HG LYS 48 1HG LYS 48 1.917 -4.260 9.654 369 2HG LYS 48 2HG LYS 48 0.369 -4.822 9.032 370 1HD LYS 48 1HD LYS 48 2.693 -6.617 9.802 371 2HD LYS 48 2HD LYS 48 1.270 -6.329 10.799 372 1HE LYS 48 1HE LYS 48 1.474 -7.826 8.193 373 2HE LYS 48 2HE LYS 48 0.741 -8.339 9.708 374 1HZ LYS 48 1HZ LYS 48 -0.804 -6.313 9.260 375 2HZ LYS 48 2HZ LYS 48 -0.324 -6.544 7.647 376 3HZ LYS 48 3HZ LYS 48 -1.095 -7.798 8.489 377 H THR 49 H THR 49 1.312 -4.579 4.681 378 HA THR 49 HA THR 49 3.675 -3.367 3.354 379 HB THR 49 HB THR 49 4.269 -5.564 2.308 380 HG1 THR 49 HG1 THR 49 2.019 -6.263 3.579 381 1HG2 THR 49 1HG2 THR 49 5.435 -4.654 4.347 382 2HG2 THR 49 2HG2 THR 49 4.368 -5.651 5.334 383 3HG2 THR 49 3HG2 THR 49 5.492 -6.412 4.212 384 H VAL 50 H VAL 50 3.514 -3.598 0.949 385 HA VAL 50 HA VAL 50 0.942 -2.875 -0.018 386 HB VAL 50 HB VAL 50 1.906 -3.201 -2.270 387 1HG1 VAL 50 1HG1 VAL 50 2.485 -1.184 -0.973 388 2HG1 VAL 50 2HG1 VAL 50 3.865 -2.028 -0.274 389 3HG1 VAL 50 3HG1 VAL 50 3.826 -1.679 -2.005 390 1HG2 VAL 50 1HG2 VAL 50 4.071 -4.612 -0.688 391 2HG2 VAL 50 2HG2 VAL 50 3.121 -5.253 -2.030 392 3HG2 VAL 50 3HG2 VAL 50 4.334 -4.010 -2.326 393 H GLU 51 H GLU 51 2.515 -6.017 0.272 394 HA GLU 51 HA GLU 51 0.758 -7.516 -1.391 395 1HB GLU 51 1HB GLU 51 2.851 -8.439 -0.427 396 2HB GLU 51 2HB GLU 51 2.117 -8.391 1.177 397 1HG GLU 51 1HG GLU 51 0.362 -9.949 0.447 398 2HG GLU 51 2HG GLU 51 1.042 -9.970 -1.181 399 H GLY 52 H GLY 52 0.540 -6.611 2.032 400 1HA GLY 52 1HA GLY 52 -1.265 -6.754 3.531 401 2HA GLY 52 2HA GLY 52 -1.933 -8.021 2.500 402 H VAL 53 H VAL 53 -1.117 -4.805 1.312 403 HA VAL 53 HA VAL 53 -3.666 -3.576 1.631 404 HB VAL 53 HB VAL 53 -1.522 -3.171 -0.474 405 1HG1 VAL 53 1HG1 VAL 53 -4.154 -1.775 -0.014 406 2HG1 VAL 53 2HG1 VAL 53 -2.777 -0.871 -0.650 407 3HG1 VAL 53 3HG1 VAL 53 -3.406 -2.260 -1.535 408 1HG2 VAL 53 1HG2 VAL 53 -0.940 -2.667 1.905 409 2HG2 VAL 53 2HG2 VAL 53 -0.928 -1.232 0.880 410 3HG2 VAL 53 3HG2 VAL 53 -2.289 -1.532 1.960 411 H LYS 54 H LYS 54 -2.322 -5.356 -1.166 412 HA LYS 54 HA LYS 54 -4.747 -5.212 -2.711 413 1HB LYS 54 1HB LYS 54 -2.346 -7.051 -2.857 414 2HB LYS 54 2HB LYS 54 -3.657 -7.073 -4.036 415 1HG LYS 54 1HG LYS 54 -3.248 -4.691 -4.540 416 2HG LYS 54 2HG LYS 54 -1.934 -4.668 -3.364 417 1HD LYS 54 1HD LYS 54 -0.740 -6.399 -4.661 418 2HD LYS 54 2HD LYS 54 -2.052 -6.415 -5.840 419 1HE LYS 54 1HE LYS 54 -0.416 -3.959 -5.148 420 2HE LYS 54 2HE LYS 54 -0.112 -4.992 -6.544 421 1HZ LYS 54 1HZ LYS 54 -2.541 -4.570 -7.108 422 2HZ LYS 54 2HZ LYS 54 -2.467 -3.296 -5.990 423 3HZ LYS 54 3HZ LYS 54 -1.451 -3.289 -7.353 424 H ALA 55 H ALA 55 -3.429 -7.685 -0.520 425 HA ALA 55 HA ALA 55 -5.454 -9.650 -1.070 426 1HB ALA 55 1HB ALA 55 -4.666 -10.707 1.030 427 2HB ALA 55 2HB ALA 55 -3.724 -9.260 1.388 428 3HB ALA 55 3HB ALA 55 -3.324 -10.247 -0.018 429 H LEU 56 H LEU 56 -5.416 -6.842 1.016 430 HA LEU 56 HA LEU 56 -7.551 -7.678 2.734 431 1HB LEU 56 1HB LEU 56 -5.935 -5.809 3.235 432 2HB LEU 56 2HB LEU 56 -6.736 -4.850 1.996 433 HG LEU 56 HG LEU 56 -8.902 -5.187 3.247 434 1HD1 LEU 56 1HD1 LEU 56 -7.008 -6.566 5.140 435 2HD1 LEU 56 2HD1 LEU 56 -8.407 -5.714 5.788 436 3HD1 LEU 56 3HD1 LEU 56 -8.636 -7.036 4.650 437 1HD2 LEU 56 1HD2 LEU 56 -6.551 -3.622 4.261 438 2HD2 LEU 56 2HD2 LEU 56 -8.100 -3.055 3.641 439 3HD2 LEU 56 3HD2 LEU 56 -7.990 -3.679 5.280 440 H ILE 57 H ILE 57 -7.460 -5.509 -0.117 441 HA ILE 57 HA ILE 57 -10.164 -4.879 -0.343 442 HB ILE 57 HB ILE 57 -8.499 -5.724 -2.722 443 1HG1 ILE 57 1HG1 ILE 57 -7.071 -4.280 -1.426 444 2HG1 ILE 57 2HG1 ILE 57 -7.742 -3.305 -2.727 445 1HG2 ILE 57 1HG2 ILE 57 -10.723 -3.715 -2.289 446 2HG2 ILE 57 2HG2 ILE 57 -9.762 -3.808 -3.765 447 3HG2 ILE 57 3HG2 ILE 57 -10.769 -5.169 -3.282 448 1HD1 ILE 57 1HD1 ILE 57 -9.590 -2.660 -1.042 449 2HD1 ILE 57 2HD1 ILE 57 -8.515 -3.317 0.191 450 3HD1 ILE 57 3HD1 ILE 57 -7.994 -1.955 -0.798 451 H ASP 58 H ASP 58 -8.554 -7.925 -1.152 452 HA ASP 58 HA ASP 58 -10.804 -9.128 -2.474 453 1HB ASP 58 1HB ASP 58 -8.545 -10.351 -0.858 454 2HB ASP 58 2HB ASP 58 -9.733 -11.305 -1.744 455 H GLU 59 H GLU 59 -9.829 -8.893 0.917 456 HA GLU 59 HA GLU 59 -11.999 -10.487 1.942 457 1HB GLU 59 1HB GLU 59 -10.171 -8.455 3.237 458 2HB GLU 59 2HB GLU 59 -11.381 -9.375 4.129 459 1HG GLU 59 1HG GLU 59 -9.239 -10.669 2.425 460 2HG GLU 59 2HG GLU 59 -9.059 -10.384 4.156 461 H ILE 60 H ILE 60 -11.499 -7.012 1.432 462 HA ILE 60 HA ILE 60 -13.964 -6.261 2.696 463 HB ILE 60 HB ILE 60 -12.664 -4.639 0.507 464 1HG1 ILE 60 1HG1 ILE 60 -10.771 -5.260 1.809 465 2HG1 ILE 60 2HG1 ILE 60 -11.227 -3.673 2.394 466 1HG2 ILE 60 1HG2 ILE 60 -14.787 -3.889 1.626 467 2HG2 ILE 60 2HG2 ILE 60 -13.905 -3.835 3.152 468 3HG2 ILE 60 3HG2 ILE 60 -13.442 -2.766 1.828 469 1HD1 ILE 60 1HD1 ILE 60 -12.628 -5.048 4.142 470 2HD1 ILE 60 2HD1 ILE 60 -11.516 -6.348 3.709 471 3HD1 ILE 60 3HD1 ILE 60 -10.894 -4.843 4.372 472 H LEU 61 H LEU 61 -13.073 -6.702 -0.737 473 HA LEU 61 HA LEU 61 -15.657 -6.136 -1.789 474 1HB LEU 61 1HB LEU 61 -13.425 -7.906 -2.824 475 2HB LEU 61 2HB LEU 61 -14.889 -7.565 -3.747 476 HG LEU 61 HG LEU 61 -12.987 -5.458 -2.679 477 1HD1 LEU 61 1HD1 LEU 61 -13.335 -6.585 -5.476 478 2HD1 LEU 61 2HD1 LEU 61 -12.300 -5.220 -5.054 479 3HD1 LEU 61 3HD1 LEU 61 -11.936 -6.830 -4.431 480 1HD2 LEU 61 1HD2 LEU 61 -15.582 -5.375 -4.196 481 2HD2 LEU 61 2HD2 LEU 61 -14.969 -4.275 -2.962 482 3HD2 LEU 61 3HD2 LEU 61 -14.348 -4.181 -4.605 483 H ALA 62 H ALA 62 -14.232 -9.152 -0.584 484 HA ALA 62 HA ALA 62 -16.588 -10.731 -1.253 485 1HB ALA 62 1HB ALA 62 -14.286 -11.314 0.637 486 2HB ALA 62 2HB ALA 62 -14.369 -11.784 -1.061 487 3HB ALA 62 3HB ALA 62 -15.490 -12.488 0.106 488 H ALA 63 H ALA 63 -15.892 -8.468 1.169 489 HA ALA 63 HA ALA 63 -17.281 -9.652 3.395 490 1HB ALA 63 1HB ALA 63 -15.712 -7.648 3.469 491 2HB ALA 63 2HB ALA 63 -17.037 -6.692 2.804 492 3HB ALA 63 3HB ALA 63 -17.211 -7.463 4.380 493 H LEU 64 H LEU 64 -18.332 -7.132 1.075 494 HA LEU 64 HA LEU 64 -21.072 -7.242 1.940 495 1HB LEU 64 1HB LEU 64 -21.510 -5.873 -0.087 496 2HB LEU 64 2HB LEU 64 -20.160 -5.256 0.852 497 HG LEU 64 HG LEU 64 -19.207 -7.207 -1.121 498 1HD1 LEU 64 1HD1 LEU 64 -20.740 -4.826 -2.204 499 2HD1 LEU 64 2HD1 LEU 64 -19.673 -5.863 -3.149 500 3HD1 LEU 64 3HD1 LEU 64 -21.149 -6.524 -2.447 501 1HD2 LEU 64 1HD2 LEU 64 -18.717 -4.245 -0.679 502 2HD2 LEU 64 2HD2 LEU 64 -17.726 -5.582 -0.095 503 3HD2 LEU 64 3HD2 LEU 64 -17.814 -5.236 -1.822 504 HA PRO 65 HA PRO 65 -22.370 -10.900 -0.259 505 1HB PRO 65 1HB PRO 65 -24.929 -10.006 -1.102 506 2HB PRO 65 2HB PRO 65 -24.550 -10.829 0.415 507 1HG PRO 65 1HG PRO 65 -25.134 -7.971 -0.061 508 2HG PRO 65 2HG PRO 65 -25.247 -8.903 1.437 509 1HD PRO 65 1HD PRO 65 -23.244 -7.026 0.852 510 2HD PRO 65 2HD PRO 65 -23.131 -8.282 2.107 No H/Q in entry = 510
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