REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2iem_1_A DATA FIRST_RESID 1 DATA SEQUENCE SLFDKKHLVS PADALPGRNT PMPVATLHAV NGHSMTNVPD GMEIAIFAMG DATA SEQUENCE cFWGVERLFW QLPGVYSTAA GYTGGYTPNP TYREVSSGDT GHAEAVRIVY DATA SEQUENCE DPSVISYEQL LQVFWENHDP AQGMRQGNDH GTQYRSAIYP LTPEQDAAAR DATA SEQUENCE ASLERFQAAM LAADDDRHIT TEIANATPFY YAEDDHQQYL HKNPYGYcGI DATA SEQUENCE GGIGVSLPPE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.482 4.470 0.020 0.000 0.327 1 S C 0.000 174.677 174.600 0.128 0.000 1.055 1 S CA 0.000 58.240 58.200 0.068 0.000 1.107 1 S CB 0.000 63.242 63.200 0.071 0.000 0.593 2 L N -0.214 121.071 121.223 0.103 0.000 2.485 2 L HA 0.082 4.512 4.340 0.150 0.000 0.275 2 L C -1.577 175.431 176.870 0.230 0.000 1.207 2 L CA 1.205 56.128 54.840 0.139 0.000 0.855 2 L CB 0.357 42.468 42.059 0.086 0.000 1.114 2 L HN 0.239 8.496 8.230 0.045 0.000 0.485 3 F N 1.001 120.964 119.950 0.021 0.000 2.613 3 F HA 0.236 4.770 4.527 0.011 0.000 0.314 3 F C -1.125 174.687 175.800 0.019 0.000 1.075 3 F CA -2.053 55.957 58.000 0.015 0.000 0.945 3 F CB 4.337 43.344 39.000 0.011 0.000 1.310 3 F HN -0.240 8.220 8.300 0.266 0.000 0.467 4 D N 1.788 122.103 120.400 -0.141 0.000 2.380 4 D HA -0.184 4.431 4.640 -0.042 0.000 0.270 4 D C -1.347 175.006 176.300 0.089 0.000 1.363 4 D CA 0.298 54.266 54.000 -0.054 0.000 1.057 4 D CB -1.501 39.213 40.800 -0.143 0.000 1.096 4 D HN 0.051 8.051 8.370 -0.618 0.000 0.524 5 K N 1.122 121.584 120.400 0.104 0.000 2.259 5 K HA 0.265 4.658 4.320 0.122 0.000 0.249 5 K C 0.248 176.900 176.600 0.087 0.000 0.942 5 K CA -1.177 55.182 56.287 0.121 0.000 0.816 5 K CB 1.787 34.380 32.500 0.154 0.000 1.155 5 K HN -0.298 8.003 8.250 0.086 0.000 0.428 6 K N 3.858 124.307 120.400 0.081 0.000 3.001 6 K HA 0.099 4.437 4.320 0.030 0.000 0.257 6 K C -1.107 175.556 176.600 0.105 0.000 1.290 6 K CA -0.064 56.258 56.287 0.058 0.000 1.252 6 K CB -1.672 30.849 32.500 0.036 0.000 1.656 6 K HN 0.416 8.715 8.250 0.081 0.000 0.351 7 H N 0.384 119.453 119.070 -0.002 0.000 2.408 7 H HA 0.069 4.620 4.556 -0.008 0.000 0.271 7 H C -0.075 175.240 175.328 -0.021 0.000 0.957 7 H CA 0.236 56.281 56.048 -0.006 0.000 1.170 7 H CB 1.601 31.368 29.762 0.008 0.000 1.458 7 H HN -0.322 7.968 8.280 0.134 0.071 0.491 8 L N 0.104 121.189 121.223 -0.230 0.000 2.473 8 L HA 0.092 4.152 4.340 -0.467 0.000 0.268 8 L C -0.109 176.645 176.870 -0.192 0.000 1.215 8 L CA -0.318 54.350 54.840 -0.286 0.000 0.823 8 L CB -0.139 41.824 42.059 -0.160 0.000 1.099 8 L HN -0.438 7.764 8.230 -0.046 0.000 0.483 9 V N 0.863 120.661 119.914 -0.193 0.000 2.843 9 V HA -0.241 3.793 4.120 -0.143 0.000 0.305 9 V C -0.521 175.490 176.094 -0.138 0.000 1.120 9 V CA 1.051 63.259 62.300 -0.154 0.000 1.254 9 V CB 0.991 32.724 31.823 -0.150 0.000 0.901 9 V HN 0.348 8.409 8.190 -0.215 0.000 0.503 10 S N 6.472 122.095 115.700 -0.128 0.000 2.608 10 S HA 0.121 4.518 4.470 -0.122 0.000 0.261 10 S C -0.540 173.941 174.600 -0.198 0.000 1.314 10 S CA -1.027 57.092 58.200 -0.136 0.000 0.992 10 S CB 0.493 63.625 63.200 -0.113 0.000 0.935 10 S HN 0.031 8.270 8.310 -0.117 0.000 0.564 11 P HA 0.030 4.108 4.420 -0.570 0.000 0.227 11 P C -0.442 176.611 177.300 -0.412 0.000 1.161 11 P CA 1.344 64.174 63.100 -0.451 0.000 0.788 11 P CB 0.234 31.675 31.700 -0.432 0.000 0.822 12 A N -3.518 119.156 122.820 -0.243 0.000 2.067 12 A HA -0.107 4.102 4.320 -0.186 0.000 0.217 12 A C 1.040 178.535 177.584 -0.148 0.000 1.156 12 A CA 1.552 53.483 52.037 -0.175 0.000 0.683 12 A CB -0.368 18.561 19.000 -0.119 0.000 0.808 12 A HN -0.209 7.796 8.150 -0.197 0.027 0.455 13 D N -1.920 118.389 120.400 -0.152 0.000 2.262 13 D HA -0.103 4.480 4.640 -0.094 0.000 0.212 13 D C -0.102 176.128 176.300 -0.117 0.000 0.964 13 D CA 1.537 55.467 54.000 -0.116 0.000 0.875 13 D CB 1.013 41.749 40.800 -0.107 0.000 0.996 13 D HN -0.669 7.456 8.370 -0.170 0.143 0.497 14 A N 0.140 122.862 122.820 -0.163 0.000 2.897 14 A HA 0.007 4.492 4.320 -0.072 -0.208 0.287 14 A C -0.385 177.170 177.584 -0.048 0.000 1.748 14 A CA 0.091 52.059 52.037 -0.115 0.000 1.397 14 A CB -1.119 17.788 19.000 -0.156 0.000 1.049 14 A HN -0.308 7.712 8.150 -0.216 0.000 0.592 15 L N 3.418 124.633 121.223 -0.013 0.000 2.358 15 L HA 0.307 4.679 4.340 0.053 0.000 0.268 15 L C -1.571 175.334 176.870 0.057 0.000 1.032 15 L CA -2.629 52.227 54.840 0.027 0.000 0.805 15 L CB 1.272 43.328 42.059 -0.005 0.000 1.253 15 L HN -0.226 7.972 8.230 -0.030 0.014 0.452 16 P HA 0.112 4.564 4.420 0.053 0.000 0.277 16 P C -0.375 176.942 177.300 0.028 0.000 1.354 16 P CA -0.552 62.578 63.100 0.050 0.000 0.891 16 P CB 0.027 31.757 31.700 0.050 0.000 1.058 17 G N 3.744 112.556 108.800 0.020 0.000 2.604 17 G HA2 -0.252 3.710 3.960 0.004 0.000 0.216 17 G HA3 -0.252 3.710 3.960 0.004 0.000 0.216 17 G C -0.649 174.260 174.900 0.014 0.000 1.265 17 G CA 0.791 45.896 45.100 0.009 0.000 0.804 17 G HN -0.017 8.287 8.290 0.022 0.000 0.579 18 R N -0.643 119.869 120.500 0.019 0.000 2.686 18 R HA 0.136 4.489 4.340 0.022 0.000 0.286 18 R C -1.518 174.800 176.300 0.030 0.000 0.969 18 R CA -0.664 55.451 56.100 0.025 0.000 0.898 18 R CB 2.675 32.993 30.300 0.030 0.000 1.183 18 R HN -0.109 8.172 8.270 0.018 0.000 0.456 19 N N 1.470 120.189 118.700 0.032 0.000 2.320 19 N HA 0.103 4.866 4.740 0.039 0.000 0.237 19 N C -0.848 174.688 175.510 0.043 0.000 1.129 19 N CA 0.350 53.422 53.050 0.037 0.000 0.854 19 N CB 0.149 38.654 38.487 0.031 0.000 1.083 19 N HN 0.260 8.657 8.380 0.029 0.000 0.504 20 T N -1.621 112.960 114.554 0.046 0.000 2.809 20 T HA 0.379 4.757 4.350 0.048 0.000 0.296 20 T C -2.337 172.402 174.700 0.065 0.000 1.015 20 T CA -3.780 58.349 62.100 0.050 0.000 0.954 20 T CB 0.673 69.565 68.868 0.041 0.000 0.950 20 T HN -0.470 7.707 8.240 0.044 0.090 0.450 21 P HA 0.146 4.635 4.420 0.115 0.000 0.279 21 P C 0.002 177.352 177.300 0.082 0.000 1.239 21 P CA -0.546 62.613 63.100 0.098 0.000 0.789 21 P CB 0.685 32.449 31.700 0.107 0.000 0.933 22 M N 1.932 121.591 119.600 0.099 0.000 2.243 22 M HA 0.211 4.733 4.480 0.070 0.000 0.341 22 M C -1.687 174.642 176.300 0.049 0.000 1.130 22 M CA -2.378 52.972 55.300 0.082 0.000 1.162 22 M CB -1.071 31.598 32.600 0.114 0.000 1.497 22 M HN -0.068 8.297 8.290 0.125 0.000 0.456 23 P HA 0.143 4.549 4.420 -0.025 0.000 0.281 23 P C -2.042 175.225 177.300 -0.055 0.000 1.252 23 P CA -0.217 62.873 63.100 -0.018 0.000 0.778 23 P CB 0.368 32.059 31.700 -0.014 0.000 0.895 24 V N 1.795 121.632 119.914 -0.128 0.000 2.638 24 V HA 0.119 4.145 4.120 -0.158 0.000 0.306 24 V C 0.105 176.068 176.094 -0.219 0.000 1.052 24 V CA -1.392 60.770 62.300 -0.231 0.000 0.885 24 V CB 3.088 34.599 31.823 -0.519 0.000 0.999 24 V HN -0.024 8.090 8.190 -0.127 0.000 0.424 25 A N 6.316 129.031 122.820 -0.174 0.000 2.492 25 A HA -0.040 4.216 4.320 -0.107 0.000 0.236 25 A C -0.047 177.450 177.584 -0.146 0.000 1.078 25 A CA 0.378 52.334 52.037 -0.134 0.000 0.773 25 A CB 0.575 19.507 19.000 -0.113 0.000 1.023 25 A HN -0.041 8.016 8.150 -0.155 0.000 0.504 26 T N -0.758 113.738 114.554 -0.098 0.000 2.852 26 T HA -0.084 4.214 4.350 -0.086 0.000 0.256 26 T C -0.739 173.938 174.700 -0.040 0.000 1.038 26 T CA 2.308 64.364 62.100 -0.073 0.000 1.141 26 T CB 0.184 69.016 68.868 -0.059 0.000 0.869 26 T HN -0.090 8.100 8.240 -0.083 0.000 0.439 27 L N -2.361 118.837 121.223 -0.041 0.000 2.307 27 L HA 0.271 4.717 4.340 0.028 -0.089 0.282 27 L C 0.281 177.155 176.870 0.006 0.000 1.051 27 L CA -2.170 52.666 54.840 -0.006 0.000 0.804 27 L CB -0.123 41.914 42.059 -0.037 0.000 1.197 27 L HN -0.608 7.587 8.230 -0.057 0.000 0.431 28 H N 3.124 122.172 119.070 -0.037 0.000 2.913 28 H HA -0.324 4.200 4.556 -0.054 0.000 0.365 28 H C 0.495 175.743 175.328 -0.133 0.000 1.155 28 H CA 1.654 57.657 56.048 -0.075 0.000 1.417 28 H CB 2.804 32.518 29.762 -0.081 0.000 1.386 28 H HN 0.770 9.054 8.280 0.196 0.114 0.614 29 A N 5.235 127.732 122.820 -0.538 0.000 2.021 29 A HA -0.095 4.103 4.320 -0.204 0.000 0.216 29 A C 0.286 177.627 177.584 -0.405 0.000 1.163 29 A CA 2.102 53.920 52.037 -0.365 0.000 0.676 29 A CB 0.560 19.360 19.000 -0.334 0.000 0.818 29 A HN 0.780 8.547 8.150 -1.206 -0.341 0.453 30 V N -1.879 117.803 119.914 -0.387 0.000 2.502 30 V HA -0.232 3.410 4.120 -0.798 0.000 0.234 30 V C 1.815 177.650 176.094 -0.431 0.000 1.072 30 V CA 2.569 64.466 62.300 -0.672 0.000 1.094 30 V CB 0.682 31.716 31.823 -1.316 0.000 0.761 30 V HN -0.146 8.135 8.190 -0.017 -0.101 0.489 31 N N -0.692 117.838 118.700 -0.282 0.000 2.137 31 N HA -0.255 4.251 4.740 -0.391 0.000 0.190 31 N C 0.879 176.318 175.510 -0.119 0.000 1.017 31 N CA 2.144 55.020 53.050 -0.291 0.000 0.859 31 N CB 0.506 38.813 38.487 -0.300 0.000 1.002 31 N HN -0.437 7.882 8.380 -0.103 0.000 0.428 32 G N -4.494 104.299 108.800 -0.012 0.000 2.143 32 G HA2 -0.473 3.686 3.960 -0.007 0.000 0.248 32 G HA3 -0.473 3.488 3.960 0.002 0.000 0.248 32 G C -1.084 173.894 174.900 0.129 0.000 0.991 32 G CA 0.532 45.647 45.100 0.025 0.000 0.689 32 G HN 0.117 8.329 8.290 0.047 0.106 0.522 33 H N -0.975 118.089 119.070 -0.009 0.000 2.812 33 H HA 0.234 4.802 4.556 0.020 0.000 0.355 33 H C -0.928 174.442 175.328 0.071 0.000 1.207 33 H CA -2.157 53.911 56.048 0.034 0.000 1.217 33 H CB 2.586 32.385 29.762 0.063 0.000 1.874 33 H HN -0.114 8.236 8.280 0.184 0.040 0.581 34 S N -0.748 115.003 115.700 0.084 0.000 2.593 34 S HA -0.273 4.336 4.470 0.017 -0.129 0.303 34 S C 0.485 175.164 174.600 0.132 0.000 1.267 34 S CA 2.681 60.922 58.200 0.068 0.000 1.047 34 S CB 0.312 63.540 63.200 0.045 0.000 0.777 34 S HN 0.404 8.691 8.310 -0.038 0.000 0.498 35 M N 5.409 125.074 119.600 0.108 0.000 2.398 35 M HA -0.076 4.525 4.480 0.201 0.000 0.261 35 M C 2.054 178.453 176.300 0.164 0.000 1.125 35 M CA 3.490 58.890 55.300 0.166 0.000 1.183 35 M CB 0.886 33.574 32.600 0.147 0.000 1.322 35 M HN 0.939 9.189 8.290 0.063 0.078 0.467 36 T N -1.384 113.256 114.554 0.144 0.000 2.901 36 T HA -0.138 4.294 4.350 0.136 0.000 0.252 36 T C 0.263 174.991 174.700 0.046 0.000 1.035 36 T CA 1.123 63.299 62.100 0.127 0.000 1.142 36 T CB 0.067 69.028 68.868 0.155 0.000 0.869 36 T HN -0.075 8.228 8.240 0.104 0.000 0.442 37 N N 2.872 121.594 118.700 0.035 0.000 2.359 37 N HA -0.151 4.587 4.740 -0.002 0.000 0.261 37 N C -1.964 173.540 175.510 -0.010 0.000 1.267 37 N CA 1.482 54.537 53.050 0.008 0.000 0.864 37 N CB 0.676 39.168 38.487 0.008 0.000 1.063 37 N HN -0.072 8.333 8.380 0.042 0.000 0.474 38 V N 5.330 125.217 119.914 -0.045 0.000 2.378 38 V HA 0.216 4.265 4.120 -0.119 0.000 0.288 38 V C -1.473 174.555 176.094 -0.110 0.000 1.016 38 V CA -3.675 58.566 62.300 -0.099 0.000 0.840 38 V CB 1.774 33.530 31.823 -0.112 0.000 0.994 38 V HN 0.009 8.174 8.190 -0.042 0.000 0.431 39 P HA 0.218 4.590 4.420 -0.081 0.000 0.278 39 P C -1.245 175.969 177.300 -0.143 0.000 1.238 39 P CA -0.807 62.217 63.100 -0.127 0.000 0.794 39 P CB 0.713 32.335 31.700 -0.130 0.000 0.955 40 D N 0.360 120.704 120.400 -0.094 0.000 2.533 40 D HA -0.261 4.325 4.640 -0.089 0.000 0.236 40 D C 0.933 177.174 176.300 -0.099 0.000 1.137 40 D CA 1.425 55.374 54.000 -0.085 0.000 0.867 40 D CB 0.018 40.785 40.800 -0.055 0.000 1.170 40 D HN 0.047 8.376 8.370 -0.069 0.000 0.474 41 G N 1.880 110.618 108.800 -0.103 0.000 2.184 41 G HA2 -0.352 3.564 3.960 -0.074 0.000 0.206 41 G HA3 -0.352 3.558 3.960 -0.083 0.000 0.206 41 G C -0.969 173.845 174.900 -0.144 0.000 0.995 41 G CA -0.225 44.816 45.100 -0.098 0.000 0.651 41 G HN 0.302 8.532 8.290 -0.101 0.000 0.511 42 M N -0.873 118.609 119.600 -0.198 0.000 2.705 42 M HA 0.343 4.671 4.480 -0.255 0.000 0.311 42 M C -1.527 174.614 176.300 -0.264 0.000 1.214 42 M CA -2.048 53.091 55.300 -0.267 0.000 0.920 42 M CB 2.101 34.478 32.600 -0.371 0.000 1.687 42 M HN -0.677 7.455 8.290 -0.183 0.048 0.481 43 E N -0.414 119.566 120.200 -0.366 0.000 2.393 43 E HA 0.358 4.552 4.350 -0.259 0.000 0.273 43 E C -1.761 174.599 176.600 -0.399 0.000 0.918 43 E CA -1.455 54.714 56.400 -0.384 0.000 0.773 43 E CB 4.637 34.063 29.700 -0.457 0.000 1.275 43 E HN 0.413 8.511 8.360 -0.437 0.000 0.451 44 I N 0.774 121.194 120.570 -0.251 0.000 2.750 44 I HA 0.729 5.004 4.170 -0.154 -0.197 0.308 44 I C -1.414 174.675 176.117 -0.047 0.000 1.016 44 I CA -1.887 59.320 61.300 -0.156 0.000 1.098 44 I CB 3.414 41.330 38.000 -0.141 0.000 1.279 44 I HN 0.077 8.167 8.210 -0.200 0.000 0.454 45 A N 1.759 124.603 122.820 0.039 0.000 2.488 45 A HA 0.370 4.761 4.320 0.118 0.000 0.295 45 A C -2.590 175.066 177.584 0.120 0.000 1.045 45 A CA -0.843 51.302 52.037 0.180 0.000 0.703 45 A CB 2.984 22.284 19.000 0.501 0.000 1.271 45 A HN 0.611 8.659 8.150 -0.014 0.093 0.400 46 I N 1.941 122.537 120.570 0.043 0.000 2.392 46 I HA 0.748 5.124 4.170 0.010 -0.200 0.295 46 I C -1.301 174.809 176.117 -0.012 0.000 0.985 46 I CA -1.031 60.273 61.300 0.008 0.000 1.221 46 I CB 2.237 40.187 38.000 -0.084 0.000 1.366 46 I HN -0.217 7.978 8.210 -0.026 0.000 0.467 47 F N 4.766 124.797 119.950 0.135 0.000 2.628 47 F HA 0.216 4.982 4.527 0.398 0.000 0.309 47 F C -2.145 173.897 175.800 0.404 0.000 1.108 47 F CA -0.542 57.638 58.000 0.300 0.000 0.971 47 F CB 5.376 44.522 39.000 0.242 0.000 1.279 47 F HN -0.033 8.432 8.300 0.275 0.000 0.441 48 A N 1.505 124.701 122.820 0.626 0.000 2.343 48 A HA 0.492 5.101 4.320 0.481 0.000 0.308 48 A C -2.635 175.246 177.584 0.494 0.000 1.092 48 A CA -0.950 51.401 52.037 0.525 0.000 0.751 48 A CB 3.100 22.421 19.000 0.535 0.000 1.203 48 A HN 0.809 9.308 8.150 0.582 0.000 0.452 49 M N 2.511 122.350 119.600 0.398 0.000 2.745 49 M HA 0.290 4.950 4.480 0.301 0.000 0.290 49 M C -0.114 176.308 176.300 0.203 0.000 1.262 49 M CA -1.633 53.832 55.300 0.276 0.000 0.795 49 M CB 4.671 37.373 32.600 0.170 0.000 1.758 49 M HN 0.342 8.857 8.290 0.375 0.000 0.461 50 G N -0.544 108.325 108.800 0.114 0.000 2.739 50 G HA2 -0.274 3.773 3.960 0.145 0.000 0.216 50 G HA3 -0.274 3.708 3.960 0.036 0.000 0.216 50 G C 0.118 175.093 174.900 0.126 0.000 1.298 50 G CA 1.354 46.515 45.100 0.101 0.000 0.804 50 G HN 0.238 8.562 8.290 0.056 0.000 0.623 51 c N -1.068 117.546 118.600 0.023 0.000 2.779 51 c HA -0.174 4.364 4.570 -0.054 0.000 0.334 51 c C -0.315 173.824 174.090 0.080 0.000 1.406 51 c CA 0.871 57.151 56.329 -0.082 0.000 2.281 51 c CB 0.605 42.950 42.510 -0.275 0.000 2.437 51 c HN -0.172 8.036 8.230 -0.037 0.000 0.748 52 F N -6.042 113.829 119.950 -0.133 0.000 2.411 52 F HA 0.290 4.833 4.527 0.027 0.000 0.286 52 F C 0.980 176.844 175.800 0.106 0.000 0.858 52 F CA 1.086 59.045 58.000 -0.068 0.000 1.080 52 F CB -0.187 38.645 39.000 -0.280 0.000 0.961 52 F HN 0.178 7.732 8.300 -1.243 0.000 0.742 53 W N 1.956 123.003 121.300 -0.421 0.000 2.418 53 W HA 0.059 5.115 4.660 0.076 -0.350 0.292 53 W C 2.316 178.738 176.519 -0.162 0.000 1.213 53 W CA 2.591 59.838 57.345 -0.163 0.000 1.283 53 W CB -0.143 29.196 29.460 -0.202 0.000 1.119 53 W HN -0.047 7.287 8.180 -1.409 0.000 0.542 54 G N -3.069 105.660 108.800 -0.119 0.000 2.464 54 G HA2 -0.255 3.597 3.960 -0.181 0.000 0.217 54 G HA3 -0.255 3.528 3.960 -0.295 0.000 0.217 54 G C 0.963 175.749 174.900 -0.190 0.000 1.138 54 G CA 1.678 46.659 45.100 -0.198 0.000 0.793 54 G HN -0.303 7.789 8.290 -0.330 0.000 0.539 55 V N 2.595 122.420 119.914 -0.148 0.000 2.283 55 V HA -0.502 3.381 4.120 -0.395 0.000 0.243 55 V C 1.261 177.236 176.094 -0.198 0.000 1.039 55 V CA 4.277 66.438 62.300 -0.231 0.000 1.016 55 V CB 0.171 31.959 31.823 -0.059 0.000 0.650 55 V HN -0.578 7.446 8.190 -0.114 0.098 0.449 56 E N -0.216 120.088 120.200 0.173 0.000 2.038 56 E HA -0.443 4.328 4.350 0.702 0.000 0.195 56 E C 2.114 178.927 176.600 0.354 0.000 1.000 56 E CA 3.233 59.883 56.400 0.417 0.000 0.803 56 E CB -0.553 29.410 29.700 0.439 0.000 0.750 56 E HN 0.179 8.549 8.360 0.207 0.113 0.448 57 R N -2.413 118.230 120.500 0.238 0.000 2.189 57 R HA -0.198 4.476 4.340 0.556 0.000 0.223 57 R C 2.278 178.496 176.300 -0.137 0.000 1.092 57 R CA 2.457 58.685 56.100 0.213 0.000 0.989 57 R CB -0.563 29.846 30.300 0.183 0.000 0.876 57 R HN -0.466 7.923 8.270 0.198 0.000 0.457 58 L N -0.541 120.557 121.223 -0.210 0.000 2.201 58 L HA -0.222 3.913 4.340 -0.342 0.000 0.212 58 L C 0.331 177.009 176.870 -0.320 0.000 1.105 58 L CA 2.904 57.529 54.840 -0.358 0.000 0.775 58 L CB -0.247 41.542 42.059 -0.449 0.000 0.913 58 L HN -0.360 7.519 8.230 -0.185 0.240 0.440 59 F N -2.781 117.142 119.950 -0.046 0.000 2.118 59 F HA -0.187 4.302 4.527 -0.065 0.000 0.293 59 F C 1.296 177.105 175.800 0.015 0.000 1.102 59 F CA 2.729 60.721 58.000 -0.013 0.000 1.247 59 F CB 0.029 39.070 39.000 0.068 0.000 1.017 59 F HN -0.682 7.449 8.300 -0.049 0.139 0.475 60 W N -2.375 119.038 121.300 0.189 0.000 2.353 60 W HA -0.534 4.146 4.660 0.033 0.000 0.319 60 W C 1.300 177.838 176.519 0.032 0.000 1.207 60 W CA 1.770 59.153 57.345 0.064 0.000 1.291 60 W CB -0.235 29.247 29.460 0.037 0.000 1.159 60 W HN -0.862 7.596 8.180 0.464 0.000 0.478 61 Q N -2.108 116.809 119.800 -1.472 0.000 2.325 61 Q HA -0.309 2.236 4.340 -2.991 0.000 0.211 61 Q C 0.852 176.440 176.000 -0.687 0.000 0.988 61 Q CA 2.166 56.964 55.803 -1.674 0.000 0.887 61 Q CB 0.071 28.152 28.738 -1.095 0.000 0.915 61 Q HN -0.231 7.113 8.270 -1.360 0.110 0.440 62 L N 0.826 121.841 121.223 -0.348 0.000 2.380 62 L HA 0.261 4.491 4.340 -0.184 0.000 0.273 62 L C -1.930 174.902 176.870 -0.063 0.000 1.138 62 L CA -2.495 52.249 54.840 -0.159 0.000 0.832 62 L CB 0.956 42.967 42.059 -0.079 0.000 1.124 62 L HN -0.801 7.082 8.230 -0.273 0.183 0.454 63 P HA 0.097 4.534 4.420 0.029 0.000 0.279 63 P C -0.802 176.514 177.300 0.027 0.000 1.318 63 P CA 0.091 63.192 63.100 0.002 0.000 0.819 63 P CB -0.718 30.976 31.700 -0.012 0.000 0.927 64 G N 2.400 111.244 108.800 0.073 0.000 2.977 64 G HA2 -0.122 3.909 3.960 0.119 0.000 0.211 64 G HA3 -0.122 3.881 3.960 0.071 0.000 0.211 64 G C -1.622 173.394 174.900 0.193 0.000 0.994 64 G CA -0.136 45.029 45.100 0.109 0.000 0.795 64 G HN -0.303 8.043 8.290 0.094 0.000 0.518 65 V N 1.402 121.425 119.914 0.181 0.000 2.465 65 V HA -0.094 4.215 4.120 0.316 0.000 0.279 65 V C -1.320 174.903 176.094 0.215 0.000 1.045 65 V CA 0.859 63.302 62.300 0.238 0.000 0.938 65 V CB 0.707 32.664 31.823 0.224 0.000 0.986 65 V HN -0.775 7.500 8.190 0.142 0.000 0.467 66 Y N 9.157 129.496 120.300 0.066 0.000 2.177 66 Y HA -0.157 4.387 4.550 -0.008 0.000 0.291 66 Y C -0.585 175.247 175.900 -0.113 0.000 1.117 66 Y CA 3.436 61.527 58.100 -0.015 0.000 1.114 66 Y CB 2.548 40.990 38.460 -0.029 0.000 1.017 66 Y HN 1.090 9.452 8.280 0.351 0.129 0.505 67 S N -6.761 108.974 115.700 0.057 0.000 2.596 67 S HA 0.200 4.295 4.470 -0.625 0.000 0.270 67 S C -2.540 171.987 174.600 -0.122 0.000 1.155 67 S CA -0.423 57.622 58.200 -0.259 0.000 0.827 67 S CB 2.518 65.639 63.200 -0.132 0.000 1.130 67 S HN -0.532 7.870 8.310 0.155 0.000 0.467 68 T N -3.196 111.274 114.554 -0.140 0.000 2.816 68 T HA 0.824 5.328 4.350 0.014 -0.146 0.299 68 T C -2.198 172.693 174.700 0.317 0.000 1.230 68 T CA -2.052 60.123 62.100 0.124 0.000 1.007 68 T CB 3.464 72.477 68.868 0.241 0.000 1.289 68 T HN 0.004 7.912 8.240 -0.553 0.000 0.508 69 A N -1.552 121.371 122.820 0.171 0.000 2.594 69 A HA 0.311 4.914 4.320 0.395 -0.046 0.295 69 A C -3.055 174.741 177.584 0.353 0.000 1.071 69 A CA -0.693 51.511 52.037 0.278 0.000 0.685 69 A CB 3.447 22.604 19.000 0.261 0.000 1.285 69 A HN 0.105 8.272 8.150 0.028 0.000 0.405 70 A N -0.150 122.985 122.820 0.526 0.000 2.324 70 A HA 0.478 5.087 4.320 0.481 0.000 0.330 70 A C -1.614 176.124 177.584 0.256 0.000 1.165 70 A CA -1.929 50.379 52.037 0.453 0.000 0.813 70 A CB 2.313 21.530 19.000 0.362 0.000 1.197 70 A HN 0.914 9.898 8.150 0.513 -0.526 0.484 71 G N -0.132 108.575 108.800 -0.155 0.000 2.561 71 G HA2 0.594 3.825 3.960 -1.220 0.000 0.310 71 G HA3 0.594 3.484 3.960 -1.840 -0.034 0.310 71 G C -3.081 171.255 174.900 -0.940 0.000 1.292 71 G CA 0.664 45.122 45.100 -1.069 0.000 0.811 71 G HN 0.264 8.588 8.290 0.057 0.000 0.482 72 Y N -4.149 115.936 120.300 -0.360 0.000 2.605 72 Y HA 1.049 5.684 4.550 -0.091 -0.139 0.343 72 Y C -0.887 174.891 175.900 -0.203 0.000 1.036 72 Y CA -2.420 55.550 58.100 -0.217 0.000 1.065 72 Y CB 4.562 42.859 38.460 -0.271 0.000 1.288 72 Y HN -0.371 7.476 8.280 -0.722 0.000 0.481 73 T N -2.383 112.286 114.554 0.191 0.000 2.686 73 T HA 0.187 4.755 4.350 0.363 0.000 0.308 73 T C -0.980 173.936 174.700 0.360 0.000 1.667 73 T CA -1.518 60.751 62.100 0.281 0.000 0.987 73 T CB 1.018 69.919 68.868 0.055 0.000 1.652 73 T HN 0.346 8.753 8.240 0.279 0.000 0.496 74 G N 1.810 110.746 108.800 0.225 0.000 2.268 74 G HA2 -0.338 3.693 3.960 0.117 0.000 0.240 74 G HA3 -0.338 3.711 3.960 0.147 0.000 0.240 74 G C -0.360 174.462 174.900 -0.130 0.000 1.010 74 G CA 0.014 45.175 45.100 0.102 0.000 0.618 74 G HN 0.528 8.941 8.290 0.205 0.000 0.516 75 G N -1.001 107.446 108.800 -0.590 0.000 2.563 75 G HA2 0.113 3.792 3.960 -0.567 0.000 0.283 75 G HA3 0.113 2.662 3.960 -2.511 -0.095 0.283 75 G C -1.731 172.761 174.900 -0.679 0.000 1.309 75 G CA -0.939 43.445 45.100 -1.194 0.000 1.022 75 G HN -0.476 7.536 8.290 -0.312 0.090 0.501 76 Y N -1.015 118.965 120.300 -0.533 0.000 2.483 76 Y HA 0.241 4.688 4.550 -0.172 0.000 0.258 76 Y C -0.164 175.666 175.900 -0.116 0.000 1.083 76 Y CA -0.888 57.077 58.100 -0.225 0.000 1.283 76 Y CB 2.648 41.012 38.460 -0.160 0.000 1.178 76 Y HN -0.276 7.833 8.280 -0.285 0.000 0.515 77 T N 5.821 120.441 114.554 0.111 0.000 2.834 77 T HA 0.240 4.682 4.350 0.153 0.000 0.298 77 T C -2.283 172.468 174.700 0.084 0.000 0.966 77 T CA -0.059 62.123 62.100 0.137 0.000 1.141 77 T CB 0.029 68.969 68.868 0.120 0.000 0.905 77 T HN -0.306 7.923 8.240 -0.019 0.000 0.535 78 P HA 0.019 4.262 4.420 -0.295 0.000 0.277 78 P C -1.102 176.127 177.300 -0.117 0.000 1.240 78 P CA -0.684 62.333 63.100 -0.138 0.000 0.798 78 P CB 0.449 32.114 31.700 -0.058 0.000 0.979 79 N N -4.470 114.130 118.700 -0.166 0.000 2.667 79 N HA -0.281 4.495 4.740 0.060 0.000 0.263 79 N C -2.188 173.291 175.510 -0.051 0.000 1.038 79 N CA 0.409 53.445 53.050 -0.023 0.000 0.749 79 N CB -1.404 37.117 38.487 0.057 0.000 0.892 79 N HN 0.127 8.339 8.380 -0.280 0.000 0.546 80 P HA 0.002 4.376 4.420 -0.076 0.000 0.276 80 P C -1.090 176.233 177.300 0.039 0.000 1.230 80 P CA -0.311 62.716 63.100 -0.123 0.000 0.776 80 P CB 0.604 32.063 31.700 -0.402 0.000 0.888 81 T N 0.111 114.673 114.554 0.013 0.000 2.940 81 T HA 0.243 4.753 4.350 0.267 0.000 0.288 81 T C 0.330 175.048 174.700 0.029 0.000 1.033 81 T CA -1.758 60.413 62.100 0.119 0.000 1.033 81 T CB 2.839 71.766 68.868 0.099 0.000 1.079 81 T HN -0.312 8.062 8.240 -0.038 -0.157 0.496 82 Y N 4.625 124.964 120.300 0.066 0.000 2.333 82 Y HA -0.443 3.912 4.550 -0.325 0.000 0.290 82 Y C 0.846 176.713 175.900 -0.055 0.000 1.144 82 Y CA 4.485 62.561 58.100 -0.040 0.000 1.228 82 Y CB 0.146 38.752 38.460 0.244 0.000 0.985 82 Y HN 0.637 9.216 8.280 0.497 0.000 0.542 83 R N -1.003 119.446 120.500 -0.085 0.000 2.062 83 R HA -0.312 3.833 4.340 -0.325 0.000 0.231 83 R C 1.682 177.865 176.300 -0.195 0.000 1.136 83 R CA 3.873 59.867 56.100 -0.177 0.000 0.948 83 R CB -0.616 29.666 30.300 -0.031 0.000 0.845 83 R HN 0.180 8.493 8.270 0.103 0.019 0.430 84 E N -1.265 118.857 120.200 -0.131 0.000 2.072 84 E HA -0.191 4.088 4.350 -0.119 0.000 0.190 84 E C 2.637 179.128 176.600 -0.182 0.000 0.982 84 E CA 2.466 58.790 56.400 -0.127 0.000 0.803 84 E CB -0.602 29.053 29.700 -0.075 0.000 0.755 84 E HN 0.027 8.340 8.360 -0.079 0.000 0.453 85 V N 2.577 122.349 119.914 -0.237 0.000 2.380 85 V HA -0.429 3.552 4.120 -0.231 0.000 0.251 85 V C 1.532 177.439 176.094 -0.313 0.000 1.063 85 V CA 3.999 66.113 62.300 -0.311 0.000 1.055 85 V CB -0.465 31.017 31.823 -0.567 0.000 0.657 85 V HN 0.830 8.759 8.190 -0.227 0.125 0.455 86 S N -2.622 112.863 115.700 -0.358 0.000 2.440 86 S HA -0.306 3.968 4.470 -0.328 0.000 0.238 86 S C 1.409 175.848 174.600 -0.268 0.000 1.010 86 S CA 2.333 60.321 58.200 -0.354 0.000 0.972 86 S CB -0.349 62.562 63.200 -0.482 0.000 0.774 86 S HN -0.423 7.543 8.310 -0.398 0.105 0.501 87 S N -0.263 115.301 115.700 -0.227 0.000 2.387 87 S HA -0.050 4.317 4.470 -0.170 0.000 0.226 87 S C 0.657 175.148 174.600 -0.182 0.000 1.026 87 S CA 1.676 59.769 58.200 -0.178 0.000 0.972 87 S CB 0.657 63.773 63.200 -0.141 0.000 0.814 87 S HN -0.011 7.975 8.310 -0.226 0.189 0.477 88 G N -1.241 107.441 108.800 -0.196 0.000 2.157 88 G HA2 -0.234 3.730 3.960 -0.213 0.000 0.239 88 G HA3 -0.234 3.602 3.960 -0.207 0.000 0.239 88 G C -0.149 174.655 174.900 -0.160 0.000 0.982 88 G CA 0.316 45.298 45.100 -0.196 0.000 0.650 88 G HN -0.378 7.691 8.290 -0.201 0.100 0.527 89 D N -0.422 119.897 120.400 -0.135 0.000 2.319 89 D HA 0.138 4.706 4.640 -0.120 0.000 0.230 89 D C -0.140 176.102 176.300 -0.096 0.000 1.094 89 D CA 1.475 55.408 54.000 -0.112 0.000 0.856 89 D CB 0.099 40.843 40.800 -0.093 0.000 0.915 89 D HN -0.210 8.035 8.370 -0.135 0.044 0.517 90 T N -7.125 107.371 114.554 -0.097 0.000 2.969 90 T HA 0.213 4.537 4.350 -0.043 0.000 0.250 90 T C 0.602 175.207 174.700 -0.157 0.000 1.021 90 T CA -0.462 61.601 62.100 -0.061 0.000 1.003 90 T CB 1.035 69.929 68.868 0.043 0.000 1.040 90 T HN -0.377 7.697 8.240 -0.117 0.095 0.492 91 G N 1.155 109.862 108.800 -0.154 0.000 2.168 91 G HA2 -0.470 3.392 3.960 -0.163 0.000 0.263 91 G HA3 -0.470 3.382 3.960 -0.181 0.000 0.263 91 G C 0.038 174.839 174.900 -0.165 0.000 0.977 91 G CA 0.884 45.881 45.100 -0.172 0.000 0.659 91 G HN -0.659 7.545 8.290 -0.143 0.000 0.533 92 H N 0.880 119.896 119.070 -0.090 0.000 2.679 92 H HA -0.166 4.574 4.556 -0.018 -0.195 0.369 92 H C -1.758 173.548 175.328 -0.037 0.000 1.178 92 H CA 1.295 57.308 56.048 -0.059 0.000 1.419 92 H CB 1.107 30.812 29.762 -0.094 0.000 1.458 92 H HN -0.497 7.695 8.280 -0.032 0.069 0.605 93 A N -2.118 120.832 122.820 0.217 0.000 2.430 93 A HA 1.000 5.631 4.320 0.132 -0.232 0.300 93 A C -1.503 176.254 177.584 0.288 0.000 1.124 93 A CA -2.557 49.601 52.037 0.201 0.000 0.766 93 A CB 3.598 22.727 19.000 0.215 0.000 1.328 93 A HN 0.965 9.176 8.150 0.297 0.117 0.424 94 E N -0.418 119.980 120.200 0.330 0.000 2.360 94 E HA -0.066 4.551 4.350 0.445 0.000 0.269 94 E C -1.419 175.353 176.600 0.287 0.000 1.022 94 E CA 0.192 56.805 56.400 0.355 0.000 0.887 94 E CB 0.492 30.395 29.700 0.338 0.000 0.990 94 E HN -0.242 8.316 8.360 0.329 0.000 0.426 95 A N 2.697 125.653 122.820 0.228 0.000 2.605 95 A HA 0.449 5.051 4.320 0.255 -0.129 0.294 95 A C -2.791 174.962 177.584 0.282 0.000 1.062 95 A CA -0.523 51.625 52.037 0.186 0.000 0.682 95 A CB 3.804 22.769 19.000 -0.059 0.000 1.278 95 A HN 0.251 8.522 8.150 0.202 0.000 0.410 96 V N -4.115 115.987 119.914 0.313 0.000 3.078 96 V HA 0.751 5.252 4.120 0.522 -0.067 0.311 96 V C -2.324 173.771 176.094 0.002 0.000 1.138 96 V CA -3.117 59.368 62.300 0.309 0.000 1.007 96 V CB 3.891 35.945 31.823 0.385 0.000 1.045 96 V HN 0.013 8.369 8.190 0.278 0.000 0.432 97 R N 1.218 121.506 120.500 -0.353 0.000 2.368 97 R HA 0.317 4.456 4.340 -0.335 0.000 0.302 97 R C -1.308 174.826 176.300 -0.276 0.000 1.002 97 R CA -0.936 54.884 56.100 -0.467 0.000 0.929 97 R CB 2.141 31.905 30.300 -0.893 0.000 1.073 97 R HN 0.328 8.223 8.270 -0.451 0.105 0.464 98 I N 5.288 125.721 120.570 -0.229 0.000 2.439 98 I HA 0.202 4.288 4.170 -0.141 0.000 0.285 98 I C -1.574 174.536 176.117 -0.011 0.000 1.021 98 I CA -0.839 60.357 61.300 -0.173 0.000 1.091 98 I CB 2.696 40.435 38.000 -0.434 0.000 1.242 98 I HN 0.831 8.830 8.210 -0.178 0.104 0.439 99 V N 8.624 128.549 119.914 0.019 0.000 2.275 99 V HA 0.609 4.898 4.120 -0.091 -0.224 0.272 99 V C -1.226 174.937 176.094 0.115 0.000 1.028 99 V CA -0.814 61.483 62.300 -0.004 0.000 0.810 99 V CB 0.463 32.264 31.823 -0.035 0.000 1.043 99 V HN 0.934 9.139 8.190 0.025 0.000 0.453 100 Y N 4.851 125.159 120.300 0.014 0.000 2.686 100 Y HA 0.671 5.421 4.550 0.127 -0.124 0.330 100 Y C -2.375 173.543 175.900 0.030 0.000 1.082 100 Y CA -3.631 54.504 58.100 0.059 0.000 1.158 100 Y CB 3.325 41.812 38.460 0.045 0.000 1.333 100 Y HN 0.383 8.500 8.280 -0.272 0.000 0.519 101 D N -3.249 117.288 120.400 0.228 0.000 2.256 101 D HA 0.532 5.103 4.640 -0.115 0.000 0.246 101 D C -1.013 175.442 176.300 0.257 0.000 1.042 101 D CA -3.506 50.545 54.000 0.086 0.000 0.841 101 D CB 0.834 41.696 40.800 0.102 0.000 1.223 101 D HN -0.295 8.311 8.370 0.394 0.000 0.470 102 P HA 0.118 5.010 4.420 0.365 -0.253 0.245 102 P C -0.062 177.323 177.300 0.141 0.000 1.212 102 P CA 1.085 64.313 63.100 0.213 0.000 0.774 102 P CB 0.292 32.076 31.700 0.139 0.000 0.999 103 S N -3.712 112.051 115.700 0.106 0.000 2.503 103 S HA -0.024 4.486 4.470 0.067 0.000 0.217 103 S C 0.475 175.121 174.600 0.077 0.000 0.999 103 S CA 1.459 59.704 58.200 0.075 0.000 0.914 103 S CB 0.326 63.558 63.200 0.054 0.000 0.782 103 S HN 0.038 8.336 8.310 0.101 0.073 0.520 104 V N -0.443 119.535 119.914 0.107 0.000 2.806 104 V HA -0.025 4.133 4.120 0.062 0.000 0.239 104 V C -0.551 175.587 176.094 0.073 0.000 1.113 104 V CA 1.129 63.482 62.300 0.089 0.000 1.137 104 V CB 2.212 34.099 31.823 0.106 0.000 0.865 104 V HN -0.675 7.456 8.190 0.147 0.147 0.482 105 I N -1.163 119.478 120.570 0.118 0.000 2.582 105 I HA 0.368 4.703 4.170 -0.026 -0.180 0.292 105 I C -2.634 173.509 176.117 0.043 0.000 1.066 105 I CA -2.134 59.173 61.300 0.011 0.000 1.053 105 I CB 4.315 42.261 38.000 -0.090 0.000 1.241 105 I HN 0.133 8.369 8.210 0.221 0.107 0.421 106 S N 7.275 122.931 115.700 -0.074 0.000 2.718 106 S HA 0.546 5.155 4.470 0.231 0.000 0.300 106 S C 0.867 175.362 174.600 -0.176 0.000 1.117 106 S CA -1.969 56.210 58.200 -0.036 0.000 1.002 106 S CB 2.904 65.996 63.200 -0.179 0.000 1.092 106 S HN 0.685 9.232 8.310 -0.126 -0.312 0.542 107 Y N 0.143 120.481 120.300 0.063 0.000 2.256 107 Y HA -0.310 4.222 4.550 -0.029 0.000 0.288 107 Y C 1.447 177.357 175.900 0.017 0.000 1.155 107 Y CA 2.728 60.860 58.100 0.053 0.000 1.203 107 Y CB -0.804 37.750 38.460 0.156 0.000 0.980 107 Y HN 0.580 9.114 8.280 0.424 0.000 0.530 108 E N 0.130 119.889 120.200 -0.734 0.000 2.072 108 E HA -0.394 3.894 4.350 -0.104 0.000 0.191 108 E C 1.999 178.493 176.600 -0.176 0.000 0.985 108 E CA 2.965 59.126 56.400 -0.397 0.000 0.801 108 E CB -0.685 28.686 29.700 -0.549 0.000 0.750 108 E HN -0.346 7.088 8.360 -1.523 0.012 0.452 109 Q N -0.463 119.205 119.800 -0.220 0.000 2.084 109 Q HA -0.321 3.962 4.340 -0.095 0.000 0.202 109 Q C 2.734 178.664 176.000 -0.117 0.000 0.978 109 Q CA 3.143 58.863 55.803 -0.139 0.000 0.844 109 Q CB 0.152 28.803 28.738 -0.145 0.000 0.898 109 Q HN -0.657 7.350 8.270 -0.303 0.082 0.426 110 L N -1.002 120.107 121.223 -0.189 0.000 2.046 110 L HA -0.367 3.870 4.340 -0.173 0.000 0.208 110 L C 2.129 178.930 176.870 -0.116 0.000 1.077 110 L CA 3.195 57.905 54.840 -0.216 0.000 0.747 110 L CB -0.415 41.398 42.059 -0.409 0.000 0.896 110 L HN 0.008 8.090 8.230 -0.246 0.000 0.432 111 L N -1.731 119.472 121.223 -0.035 0.000 2.046 111 L HA -0.504 3.860 4.340 0.039 0.000 0.208 111 L C 2.080 179.129 176.870 0.298 0.000 1.077 111 L CA 3.475 58.396 54.840 0.135 0.000 0.747 111 L CB -0.539 41.652 42.059 0.220 0.000 0.896 111 L HN -0.166 7.962 8.230 -0.034 0.082 0.432 112 Q N -0.465 119.437 119.800 0.170 0.000 2.077 112 Q HA -0.377 4.099 4.340 0.227 0.000 0.206 112 Q C 2.903 178.997 176.000 0.157 0.000 0.989 112 Q CA 3.580 59.481 55.803 0.163 0.000 0.853 112 Q CB -0.203 28.572 28.738 0.061 0.000 0.907 112 Q HN -0.029 8.105 8.270 0.076 0.182 0.418 113 V N -0.063 119.901 119.914 0.083 0.000 2.307 113 V HA -0.524 3.608 4.120 0.020 0.000 0.245 113 V C 1.492 177.616 176.094 0.050 0.000 1.045 113 V CA 3.914 66.233 62.300 0.033 0.000 1.024 113 V CB -0.021 31.786 31.823 -0.028 0.000 0.651 113 V HN -0.384 7.832 8.190 0.042 0.000 0.449 114 F N 2.319 122.221 119.950 -0.081 0.000 2.065 114 F HA -0.404 4.033 4.527 -0.150 0.000 0.298 114 F C 1.228 176.977 175.800 -0.085 0.000 1.112 114 F CA 3.632 61.553 58.000 -0.132 0.000 1.212 114 F CB 0.061 38.936 39.000 -0.209 0.000 0.975 114 F HN 0.012 8.261 8.300 0.195 0.168 0.476 115 W N -4.382 116.950 121.300 0.054 0.000 2.421 115 W HA -0.243 4.239 4.660 -0.297 0.000 0.270 115 W C 1.402 177.856 176.519 -0.108 0.000 1.233 115 W CA 2.089 59.373 57.345 -0.102 0.000 1.226 115 W CB 0.069 29.515 29.460 -0.024 0.000 1.121 115 W HN 0.224 8.631 8.180 0.556 0.107 0.579 116 E N -3.645 116.627 120.200 0.121 0.000 2.158 116 E HA -0.109 4.300 4.350 0.098 0.000 0.191 116 E C 0.737 177.317 176.600 -0.033 0.000 0.982 116 E CA 2.255 58.688 56.400 0.055 0.000 0.823 116 E CB 0.012 29.734 29.700 0.035 0.000 0.766 116 E HN -0.768 7.491 8.360 0.126 0.176 0.468 117 N N -3.420 115.206 118.700 -0.122 0.000 2.236 117 N HA 0.073 4.737 4.740 -0.128 0.000 0.196 117 N C -0.942 174.426 175.510 -0.237 0.000 1.114 117 N CA 0.298 53.243 53.050 -0.175 0.000 0.859 117 N CB 1.532 39.889 38.487 -0.217 0.000 0.982 117 N HN -0.285 7.881 8.380 -0.152 0.122 0.493 118 H N -0.081 118.730 119.070 -0.432 0.000 2.603 118 H HA -0.055 4.133 4.556 -0.614 0.000 0.370 118 H C -1.547 173.637 175.328 -0.239 0.000 1.225 118 H CA 0.653 56.376 56.048 -0.542 0.000 1.410 118 H CB 1.255 30.474 29.762 -0.905 0.000 1.495 118 H HN -0.565 7.478 8.280 -0.187 0.125 0.602 119 D N 1.415 121.267 120.400 -0.914 0.000 2.268 119 D HA 0.387 4.845 4.640 -0.303 0.000 0.249 119 D C -1.482 174.486 176.300 -0.552 0.000 1.008 119 D CA -2.361 51.311 54.000 -0.548 0.000 0.939 119 D CB 0.405 40.984 40.800 -0.369 0.000 1.170 119 D HN 0.004 7.442 8.370 -1.554 0.000 0.468 120 P HA 0.056 4.503 4.420 0.045 0.000 0.274 120 P C -1.501 175.772 177.300 -0.046 0.000 1.237 120 P CA -0.518 62.558 63.100 -0.041 0.000 0.793 120 P CB 0.796 32.502 31.700 0.010 0.000 0.977 121 A N -0.375 122.468 122.820 0.039 0.000 2.320 121 A HA 0.068 4.366 4.320 -0.036 0.000 0.287 121 A C -0.675 176.881 177.584 -0.046 0.000 1.181 121 A CA -0.395 51.636 52.037 -0.009 0.000 0.831 121 A CB 0.567 19.581 19.000 0.024 0.000 1.102 121 A HN 0.177 8.396 8.150 0.116 0.000 0.513 122 Q N 2.860 122.613 119.800 -0.078 0.000 2.214 122 Q HA 0.040 4.355 4.340 -0.042 0.000 0.229 122 Q C 0.115 176.068 176.000 -0.079 0.000 0.835 122 Q CA -0.976 54.791 55.803 -0.059 0.000 0.953 122 Q CB 1.250 29.964 28.738 -0.040 0.000 1.131 122 Q HN 0.500 8.716 8.270 -0.090 0.000 0.501 123 G N -0.800 107.901 108.800 -0.165 0.000 2.176 123 G HA2 -0.370 3.347 3.960 -0.406 0.000 0.252 123 G HA3 -0.370 3.548 3.960 -0.071 0.000 0.252 123 G C -0.629 174.262 174.900 -0.016 0.000 1.024 123 G CA 0.163 45.171 45.100 -0.154 0.000 0.755 123 G HN 0.086 8.239 8.290 -0.228 0.000 0.507 124 M N -1.335 118.250 119.600 -0.025 0.000 2.323 124 M HA -0.235 4.243 4.480 -0.003 0.000 0.386 124 M C -0.540 175.777 176.300 0.027 0.000 1.525 124 M CA 1.210 56.514 55.300 0.006 0.000 0.914 124 M CB 0.003 32.611 32.600 0.013 0.000 2.042 124 M HN -0.312 7.933 8.290 -0.053 0.014 0.483 125 R N 7.195 127.702 120.500 0.012 0.000 2.549 125 R HA 0.185 4.533 4.340 0.014 0.000 0.259 125 R C -0.297 175.982 176.300 -0.036 0.000 1.095 125 R CA -0.564 55.536 56.100 -0.001 0.000 1.148 125 R CB 1.525 31.824 30.300 -0.002 0.000 1.181 125 R HN 0.428 8.701 8.270 0.004 0.000 0.571 126 Q N -0.020 119.729 119.800 -0.086 0.000 2.306 126 Q HA 0.096 4.330 4.340 -0.178 0.000 0.241 126 Q C -0.571 175.390 176.000 -0.065 0.000 0.948 126 Q CA -0.020 55.685 55.803 -0.162 0.000 0.886 126 Q CB 0.319 28.865 28.738 -0.320 0.000 1.227 126 Q HN 0.204 8.426 8.270 -0.080 0.000 0.457 127 G N 1.591 110.381 108.800 -0.018 0.000 2.825 127 G HA2 -0.050 3.923 3.960 0.022 0.000 0.100 127 G HA3 -0.050 3.935 3.960 0.041 0.000 0.100 127 G C -1.277 173.674 174.900 0.085 0.000 1.195 127 G CA -0.191 44.931 45.100 0.036 0.000 1.317 127 G HN 0.344 8.627 8.290 -0.011 0.000 0.632 128 N N 1.153 119.922 118.700 0.116 0.000 2.483 128 N HA 0.151 4.931 4.740 0.066 0.000 0.269 128 N C -1.158 174.409 175.510 0.096 0.000 1.209 128 N CA -0.076 53.038 53.050 0.107 0.000 0.969 128 N CB 1.841 40.412 38.487 0.140 0.000 1.173 128 N HN 0.031 8.491 8.380 0.133 0.000 0.475 129 D N 0.679 121.061 120.400 -0.031 0.000 2.383 129 D HA -0.211 4.415 4.640 -0.024 0.000 0.275 129 D C -0.912 175.244 176.300 -0.240 0.000 1.344 129 D CA 1.180 55.117 54.000 -0.104 0.000 0.984 129 D CB -0.573 40.127 40.800 -0.166 0.000 1.104 129 D HN 0.214 8.553 8.370 -0.053 0.000 0.524 130 H N 5.101 124.164 119.070 -0.011 0.000 2.974 130 H HA 0.069 4.623 4.556 -0.004 0.000 0.285 130 H C 0.041 175.371 175.328 0.003 0.000 1.227 130 H CA -0.128 55.920 56.048 0.000 0.000 1.569 130 H CB 1.487 31.260 29.762 0.017 0.000 1.648 130 H HN -0.107 8.229 8.280 0.093 0.000 0.521 131 G N 3.118 111.950 108.800 0.054 0.000 2.249 131 G HA2 -0.333 3.630 3.960 0.005 0.000 0.273 131 G HA3 -0.333 3.733 3.960 0.177 0.000 0.273 131 G C -0.007 174.864 174.900 -0.049 0.000 1.036 131 G CA 0.417 45.545 45.100 0.047 0.000 0.824 131 G HN 0.214 8.492 8.290 -0.019 0.000 0.504 132 T N -7.145 107.333 114.554 -0.126 0.000 2.904 132 T HA -0.194 4.180 4.350 0.039 0.000 0.267 132 T C 1.017 175.609 174.700 -0.179 0.000 1.059 132 T CA 1.661 63.719 62.100 -0.071 0.000 1.137 132 T CB -0.014 68.832 68.868 -0.037 0.000 0.879 132 T HN -0.567 7.563 8.240 -0.159 0.015 0.467 133 Q N -0.086 119.440 119.800 -0.456 0.000 2.230 133 Q HA -0.139 4.041 4.340 -0.268 0.000 0.202 133 Q C -0.986 174.842 176.000 -0.285 0.000 0.963 133 Q CA 1.972 57.473 55.803 -0.503 0.000 0.866 133 Q CB 0.266 28.526 28.738 -0.796 0.000 0.931 133 Q HN 0.165 8.061 8.270 -0.624 0.000 0.452 134 Y N -3.506 116.807 120.300 0.022 0.000 2.331 134 Y HA 0.057 4.667 4.550 0.083 -0.011 0.338 134 Y C -1.052 174.910 175.900 0.103 0.000 0.992 134 Y CA -1.783 56.355 58.100 0.063 0.000 1.121 134 Y CB 0.237 38.720 38.460 0.037 0.000 1.184 134 Y HN -0.500 7.318 8.280 -0.560 0.125 0.469 135 R N 1.351 122.017 120.500 0.277 0.000 2.766 135 R HA 0.258 4.722 4.340 0.207 0.000 0.270 135 R C -1.831 174.619 176.300 0.251 0.000 1.035 135 R CA -1.906 54.329 56.100 0.225 0.000 0.911 135 R CB 3.051 33.462 30.300 0.185 0.000 1.243 135 R HN 0.066 8.544 8.270 0.305 -0.024 0.460 136 S N -0.212 115.627 115.700 0.231 0.000 2.420 136 S HA 0.332 5.099 4.470 0.313 -0.109 0.313 136 S C -1.244 173.478 174.600 0.204 0.000 1.079 136 S CA -0.968 57.392 58.200 0.266 0.000 1.104 136 S CB 0.334 63.715 63.200 0.302 0.000 0.969 136 S HN 0.277 8.710 8.310 0.205 0.000 0.471 137 A N 5.151 128.096 122.820 0.210 0.000 2.479 137 A HA 0.792 5.275 4.320 -0.068 -0.204 0.296 137 A C -2.427 175.061 177.584 -0.160 0.000 1.121 137 A CA -1.546 50.476 52.037 -0.024 0.000 0.743 137 A CB 3.689 22.643 19.000 -0.077 0.000 1.323 137 A HN 0.825 9.055 8.150 0.326 0.116 0.415 138 I N -1.556 118.717 120.570 -0.494 0.000 2.436 138 I HA 0.215 4.005 4.170 -0.633 0.000 0.289 138 I C -2.118 173.507 176.117 -0.820 0.000 1.010 138 I CA -0.356 60.560 61.300 -0.639 0.000 1.098 138 I CB 2.750 40.436 38.000 -0.524 0.000 1.266 138 I HN 0.993 8.782 8.210 -0.513 0.113 0.434 139 Y N 4.762 124.676 120.300 -0.643 0.000 2.863 139 Y HA 0.845 5.436 4.550 -0.263 -0.198 0.348 139 Y C -2.349 173.279 175.900 -0.454 0.000 1.028 139 Y CA -3.351 54.507 58.100 -0.403 0.000 1.213 139 Y CB 0.513 38.822 38.460 -0.252 0.000 1.120 139 Y HN -0.008 7.780 8.280 -0.821 0.000 0.598 140 P HA 0.080 4.402 4.420 -0.162 0.000 0.274 140 P C -2.220 175.037 177.300 -0.071 0.000 1.256 140 P CA -0.425 62.577 63.100 -0.163 0.000 0.795 140 P CB 1.688 33.309 31.700 -0.131 0.000 1.038 141 L N -5.256 115.943 121.223 -0.039 0.000 2.586 141 L HA 0.338 4.659 4.340 -0.031 0.000 0.204 141 L C 1.076 177.919 176.870 -0.044 0.000 1.053 141 L CA 0.552 55.372 54.840 -0.033 0.000 0.856 141 L CB 1.224 43.267 42.059 -0.027 0.000 1.192 141 L HN 0.414 8.993 8.230 -0.018 -0.360 0.484 142 T N -1.216 113.306 114.554 -0.054 0.000 2.902 142 T HA 0.401 4.714 4.350 -0.061 0.000 0.280 142 T C -1.012 173.631 174.700 -0.095 0.000 0.992 142 T CA -2.256 59.799 62.100 -0.075 0.000 1.015 142 T CB 1.429 70.242 68.868 -0.091 0.000 1.044 142 T HN 0.124 8.846 8.240 -0.043 -0.508 0.520 143 P HA 0.089 4.466 4.420 -0.071 0.000 0.219 143 P C 1.747 178.977 177.300 -0.118 0.000 1.154 143 P CA 2.211 65.262 63.100 -0.082 0.000 0.826 143 P CB 0.250 31.916 31.700 -0.057 0.000 0.795 144 E N -0.882 119.216 120.200 -0.170 0.000 2.038 144 E HA -0.341 3.918 4.350 -0.152 0.000 0.195 144 E C 2.514 178.876 176.600 -0.396 0.000 1.000 144 E CA 4.554 60.801 56.400 -0.255 0.000 0.803 144 E CB -0.501 29.015 29.700 -0.307 0.000 0.750 144 E HN 0.527 8.795 8.360 -0.154 0.000 0.448 145 Q N -2.585 116.907 119.800 -0.513 0.000 2.123 145 Q HA -0.336 3.629 4.340 -0.625 0.000 0.199 145 Q C 1.787 177.720 176.000 -0.113 0.000 0.966 145 Q CA 3.071 58.623 55.803 -0.418 0.000 0.845 145 Q CB -0.519 28.075 28.738 -0.239 0.000 0.907 145 Q HN -0.430 7.580 8.270 -0.434 0.000 0.439 146 D N 1.477 121.811 120.400 -0.109 0.000 2.104 146 D HA -0.330 4.269 4.640 -0.067 0.000 0.194 146 D C 2.025 178.307 176.300 -0.031 0.000 0.994 146 D CA 3.555 57.516 54.000 -0.065 0.000 0.830 146 D CB 0.047 40.808 40.800 -0.065 0.000 0.959 146 D HN -0.396 7.814 8.370 -0.137 0.078 0.452 147 A N -1.350 121.449 122.820 -0.035 0.000 1.929 147 A HA -0.150 4.175 4.320 0.009 0.000 0.216 147 A C 1.886 179.494 177.584 0.040 0.000 1.176 147 A CA 2.875 54.912 52.037 0.001 0.000 0.628 147 A CB -0.556 18.440 19.000 -0.007 0.000 0.816 147 A HN 0.315 8.324 8.150 -0.066 0.102 0.444 148 A N -0.820 122.028 122.820 0.046 0.000 1.877 148 A HA -0.410 3.999 4.320 0.150 0.000 0.216 148 A C 1.453 179.138 177.584 0.168 0.000 1.186 148 A CA 3.015 55.142 52.037 0.151 0.000 0.620 148 A CB -0.554 18.627 19.000 0.301 0.000 0.822 148 A HN 0.025 7.974 8.150 -0.023 0.187 0.443 149 A N -1.174 121.733 122.820 0.145 0.000 1.865 149 A HA -0.340 4.116 4.320 0.226 0.000 0.217 149 A C 1.797 179.472 177.584 0.151 0.000 1.191 149 A CA 3.013 55.143 52.037 0.155 0.000 0.623 149 A CB -0.585 18.454 19.000 0.065 0.000 0.826 149 A HN 0.839 8.921 8.150 0.100 0.128 0.444 150 R N -1.380 119.176 120.500 0.094 0.000 2.092 150 R HA -0.323 4.082 4.340 0.109 0.000 0.231 150 R C 1.769 178.132 176.300 0.104 0.000 1.119 150 R CA 2.384 58.539 56.100 0.092 0.000 0.970 150 R CB -0.506 29.826 30.300 0.054 0.000 0.864 150 R HN -0.373 7.934 8.270 0.061 0.000 0.440 151 A N -1.044 121.833 122.820 0.096 0.000 1.908 151 A HA -0.286 4.077 4.320 0.071 0.000 0.218 151 A C 2.358 179.997 177.584 0.092 0.000 1.181 151 A CA 3.342 55.430 52.037 0.086 0.000 0.627 151 A CB -1.170 17.882 19.000 0.086 0.000 0.818 151 A HN 0.751 8.741 8.150 0.093 0.216 0.445 152 S N -0.918 114.852 115.700 0.118 0.000 2.371 152 S HA -0.241 4.255 4.470 0.043 0.000 0.224 152 S C 1.925 176.573 174.600 0.080 0.000 1.029 152 S CA 3.577 61.823 58.200 0.077 0.000 0.978 152 S CB 0.064 63.321 63.200 0.096 0.000 0.833 152 S HN -0.096 8.222 8.310 0.148 0.080 0.466 153 L N 3.048 124.391 121.223 0.199 0.000 1.994 153 L HA -0.382 4.165 4.340 0.344 0.000 0.208 153 L C 1.408 178.391 176.870 0.188 0.000 1.071 153 L CA 3.444 58.445 54.840 0.267 0.000 0.745 153 L CB -0.184 42.048 42.059 0.288 0.000 0.892 153 L HN -0.015 8.269 8.230 0.220 0.079 0.431 154 E N -0.951 119.329 120.200 0.134 0.000 2.110 154 E HA -0.324 4.090 4.350 0.106 0.000 0.193 154 E C 2.364 179.011 176.600 0.078 0.000 0.988 154 E CA 2.810 59.269 56.400 0.098 0.000 0.804 154 E CB -0.364 29.379 29.700 0.072 0.000 0.745 154 E HN 0.694 9.010 8.360 0.125 0.118 0.458 155 R N -0.934 119.608 120.500 0.070 0.000 2.062 155 R HA -0.253 4.100 4.340 0.020 0.000 0.231 155 R C 2.550 178.863 176.300 0.022 0.000 1.136 155 R CA 2.780 58.901 56.100 0.036 0.000 0.948 155 R CB -0.353 29.964 30.300 0.028 0.000 0.845 155 R HN -0.221 7.906 8.270 0.079 0.190 0.430 156 F N 1.240 121.105 119.950 -0.141 0.000 2.134 156 F HA -0.327 4.086 4.527 -0.190 0.000 0.299 156 F C 1.897 177.651 175.800 -0.077 0.000 1.097 156 F CA 3.982 61.864 58.000 -0.196 0.000 1.264 156 F CB 0.142 38.869 39.000 -0.454 0.000 1.001 156 F HN 0.699 8.963 8.300 0.147 0.124 0.479 157 Q N -0.295 119.615 119.800 0.183 0.000 2.084 157 Q HA -0.497 3.962 4.340 0.199 0.000 0.202 157 Q C 2.253 178.284 176.000 0.053 0.000 0.978 157 Q CA 3.561 59.454 55.803 0.151 0.000 0.844 157 Q CB 0.028 28.867 28.738 0.168 0.000 0.898 157 Q HN 0.676 8.952 8.270 0.204 0.117 0.426 158 A N -1.517 121.319 122.820 0.026 0.000 1.968 158 A HA -0.201 4.124 4.320 0.008 0.000 0.217 158 A C 1.795 179.350 177.584 -0.049 0.000 1.169 158 A CA 2.550 54.585 52.037 -0.003 0.000 0.638 158 A CB -0.870 18.131 19.000 0.002 0.000 0.812 158 A HN 0.172 8.237 8.150 0.040 0.109 0.446 159 A N -0.529 122.230 122.820 -0.103 0.000 1.877 159 A HA -0.293 3.950 4.320 -0.129 0.000 0.216 159 A C 2.152 179.630 177.584 -0.177 0.000 1.186 159 A CA 3.098 55.030 52.037 -0.176 0.000 0.620 159 A CB -0.496 18.318 19.000 -0.311 0.000 0.822 159 A HN 0.310 8.188 8.150 -0.098 0.213 0.443 160 M N -3.814 115.673 119.600 -0.189 0.000 2.229 160 M HA -0.263 4.122 4.480 -0.159 0.000 0.264 160 M C 1.998 178.267 176.300 -0.052 0.000 1.063 160 M CA 3.259 58.484 55.300 -0.126 0.000 1.114 160 M CB -0.118 32.441 32.600 -0.069 0.000 1.387 160 M HN -0.078 8.092 8.290 -0.200 0.000 0.420 161 L N 1.205 122.411 121.223 -0.028 0.000 2.093 161 L HA -0.077 4.267 4.340 0.006 0.000 0.208 161 L C 3.006 179.864 176.870 -0.020 0.000 1.085 161 L CA 2.403 57.239 54.840 -0.007 0.000 0.755 161 L CB -1.341 40.723 42.059 0.009 0.000 0.904 161 L HN -0.061 8.048 8.230 -0.029 0.103 0.435 162 A N -1.287 121.511 122.820 -0.036 0.000 2.125 162 A HA -0.235 4.070 4.320 -0.025 0.000 0.219 162 A C 0.292 177.853 177.584 -0.038 0.000 1.156 162 A CA 2.240 54.255 52.037 -0.036 0.000 0.671 162 A CB -0.591 18.381 19.000 -0.046 0.000 0.794 162 A HN 0.267 8.299 8.150 -0.049 0.088 0.459 163 A N -3.364 119.428 122.820 -0.045 0.000 2.238 163 A HA 0.003 4.300 4.320 -0.039 0.000 0.210 163 A C -0.767 176.803 177.584 -0.025 0.000 1.179 163 A CA -0.147 51.865 52.037 -0.041 0.000 0.827 163 A CB 0.796 19.762 19.000 -0.058 0.000 0.856 163 A HN -0.416 7.515 8.150 -0.053 0.187 0.488 164 D N -4.235 116.155 120.400 -0.017 0.000 3.027 164 D HA -0.333 4.368 4.640 -0.003 -0.063 0.219 164 D C -2.154 174.146 176.300 0.001 0.000 1.110 164 D CA 1.253 55.249 54.000 -0.006 0.000 0.841 164 D CB -0.725 40.071 40.800 -0.007 0.000 1.096 164 D HN 0.007 8.154 8.370 -0.019 0.211 0.435 165 D N -0.816 119.586 120.400 0.002 0.000 2.329 165 D HA 0.188 4.836 4.640 0.012 0.000 0.232 165 D C 0.094 176.415 176.300 0.036 0.000 1.088 165 D CA -0.620 53.388 54.000 0.014 0.000 0.835 165 D CB 1.187 41.991 40.800 0.007 0.000 1.078 165 D HN -0.280 8.087 8.370 -0.005 0.000 0.495 166 D N 1.730 122.156 120.400 0.044 0.000 2.319 166 D HA -0.164 4.523 4.640 0.078 0.000 0.230 166 D C -0.387 175.973 176.300 0.100 0.000 1.094 166 D CA 0.259 54.303 54.000 0.074 0.000 0.856 166 D CB 0.158 40.997 40.800 0.065 0.000 0.915 166 D HN 0.424 8.815 8.370 0.034 0.000 0.517 167 R N 0.676 121.212 120.500 0.060 0.000 3.688 167 R HA -0.074 4.245 4.340 -0.035 0.000 0.194 167 R C -0.596 175.721 176.300 0.027 0.000 1.677 167 R CA -0.693 55.413 56.100 0.010 0.000 1.351 167 R CB -1.875 28.434 30.300 0.015 0.000 1.338 167 R HN -0.145 8.057 8.270 0.049 0.097 0.731 168 H N -1.061 118.064 119.070 0.091 0.000 3.016 168 H HA -0.183 4.446 4.556 0.122 0.000 0.345 168 H C -0.523 174.904 175.328 0.164 0.000 1.066 168 H CA -0.609 55.508 56.048 0.114 0.000 1.390 168 H CB 0.746 30.554 29.762 0.077 0.000 1.344 168 H HN -0.339 8.014 8.280 0.189 0.040 0.605 169 I N -0.993 119.754 120.570 0.294 0.000 2.692 169 I HA -0.030 4.321 4.170 0.300 0.000 0.284 169 I C -0.177 176.109 176.117 0.282 0.000 1.159 169 I CA 0.602 62.095 61.300 0.321 0.000 1.423 169 I CB 0.576 38.849 38.000 0.456 0.000 1.380 169 I HN -0.022 8.392 8.210 0.340 0.000 0.580 170 T N -1.019 113.673 114.554 0.230 0.000 3.107 170 T HA 0.021 4.509 4.350 0.230 0.000 0.249 170 T C -0.052 174.766 174.700 0.197 0.000 1.096 170 T CA -0.190 62.030 62.100 0.199 0.000 1.012 170 T CB 0.094 69.040 68.868 0.131 0.000 0.977 170 T HN -0.112 8.288 8.240 0.265 0.000 0.527 171 T N 3.514 118.179 114.554 0.184 0.000 2.870 171 T HA -0.165 4.486 4.350 0.082 -0.252 0.300 171 T C -0.470 174.272 174.700 0.070 0.000 0.989 171 T CA 0.634 62.779 62.100 0.075 0.000 1.139 171 T CB 0.775 69.596 68.868 -0.079 0.000 0.920 171 T HN -0.576 7.742 8.240 0.234 0.063 0.537 172 E N 8.231 128.439 120.200 0.012 0.000 2.176 172 E HA 0.322 4.683 4.350 0.018 0.000 0.267 172 E C -2.073 174.436 176.600 -0.151 0.000 0.893 172 E CA -1.747 54.638 56.400 -0.025 0.000 0.761 172 E CB 2.724 32.425 29.700 0.001 0.000 1.133 172 E HN 0.000 8.361 8.360 0.001 0.000 0.409 173 I N 4.158 124.654 120.570 -0.122 0.000 2.339 173 I HA 0.482 4.644 4.170 -0.321 -0.185 0.290 173 I C -0.681 175.333 176.117 -0.171 0.000 0.994 173 I CA -0.541 60.644 61.300 -0.192 0.000 1.191 173 I CB 1.139 39.071 38.000 -0.113 0.000 1.343 173 I HN 0.105 8.286 8.210 -0.049 0.000 0.458 174 A N 6.285 128.943 122.820 -0.271 0.000 2.593 174 A HA 0.386 4.652 4.320 -0.089 0.000 0.290 174 A C -2.449 175.061 177.584 -0.124 0.000 1.126 174 A CA -1.738 50.204 52.037 -0.160 0.000 0.695 174 A CB 3.347 22.274 19.000 -0.123 0.000 1.290 174 A HN 0.410 8.295 8.150 -0.443 0.000 0.414 175 N N -1.987 116.696 118.700 -0.028 0.000 2.206 175 N HA -0.278 4.456 4.740 -0.011 0.000 0.226 175 N C 0.654 176.231 175.510 0.111 0.000 1.272 175 N CA 0.932 53.992 53.050 0.018 0.000 0.863 175 N CB 0.780 39.286 38.487 0.032 0.000 1.092 175 N HN 0.096 8.465 8.380 -0.017 0.000 0.440 176 A N 2.109 124.987 122.820 0.098 0.000 2.807 176 A HA 0.102 4.614 4.320 0.321 0.000 0.307 176 A C -0.584 177.071 177.584 0.118 0.000 1.532 176 A CA -0.640 51.487 52.037 0.150 0.000 1.215 176 A CB -1.303 17.726 19.000 0.048 0.000 1.127 176 A HN 0.352 8.529 8.150 0.044 0.000 0.543 177 T N 1.858 116.518 114.554 0.176 0.000 2.791 177 T HA -0.046 4.364 4.350 0.100 0.000 0.323 177 T C -1.672 173.060 174.700 0.053 0.000 1.082 177 T CA -1.821 60.342 62.100 0.104 0.000 1.084 177 T CB -0.474 68.476 68.868 0.136 0.000 0.992 177 T HN -0.593 7.869 8.240 0.369 0.000 0.547 178 P HA 0.074 4.513 4.420 0.032 0.000 0.281 178 P C -1.800 175.583 177.300 0.139 0.000 1.286 178 P CA -0.443 62.704 63.100 0.079 0.000 0.772 178 P CB -0.079 31.672 31.700 0.085 0.000 0.862 179 F N 6.730 126.605 119.950 -0.125 0.000 2.429 179 F HA -0.023 4.483 4.527 -0.035 0.000 0.348 179 F C -1.643 174.028 175.800 -0.216 0.000 1.109 179 F CA -0.673 57.245 58.000 -0.137 0.000 1.232 179 F CB 1.373 40.226 39.000 -0.244 0.000 1.157 179 F HN -0.035 8.348 8.300 0.139 0.000 0.564 180 Y N 6.646 126.313 120.300 -1.055 0.000 2.388 180 Y HA 0.155 4.446 4.550 -0.432 0.000 0.328 180 Y C -1.072 174.146 175.900 -1.137 0.000 0.963 180 Y CA -1.485 56.145 58.100 -0.783 0.000 1.240 180 Y CB 1.466 39.676 38.460 -0.415 0.000 1.118 180 Y HN -0.074 7.716 8.280 -0.817 0.000 0.484 181 Y N 4.416 124.372 120.300 -0.573 0.000 3.012 181 Y HA -0.295 4.370 4.550 -0.034 -0.135 0.348 181 Y C 0.289 176.049 175.900 -0.233 0.000 1.280 181 Y CA 2.571 60.560 58.100 -0.186 0.000 1.492 181 Y CB 0.212 38.743 38.460 0.117 0.000 1.315 181 Y HN 0.442 8.538 8.280 -0.306 0.000 0.651 182 A N 0.057 122.928 122.820 0.086 0.000 2.344 182 A HA 0.252 4.596 4.320 0.039 0.000 0.307 182 A C -2.010 175.717 177.584 0.239 0.000 1.151 182 A CA -2.110 49.960 52.037 0.055 0.000 0.842 182 A CB 2.969 21.867 19.000 -0.170 0.000 1.350 182 A HN 0.112 8.432 8.150 0.283 0.000 0.459 183 E N -1.792 118.620 120.200 0.353 0.000 2.829 183 E HA -0.343 4.094 4.350 0.144 0.000 0.264 183 E C 1.104 177.767 176.600 0.106 0.000 0.922 183 E CA 1.718 58.227 56.400 0.181 0.000 0.960 183 E CB 0.494 30.192 29.700 -0.003 0.000 0.918 183 E HN 0.450 9.137 8.360 0.545 0.000 0.497 184 D N 5.661 126.089 120.400 0.047 0.000 2.271 184 D HA -0.299 4.360 4.640 0.032 0.000 0.207 184 D C 0.008 176.312 176.300 0.008 0.000 0.983 184 D CA 2.640 56.650 54.000 0.017 0.000 0.878 184 D CB -0.279 40.510 40.800 -0.019 0.000 0.920 184 D HN 0.528 8.921 8.370 0.037 0.000 0.479 185 D N -3.409 116.969 120.400 -0.037 0.000 2.194 185 D HA -0.192 4.431 4.640 -0.029 0.000 0.204 185 D C 0.751 177.080 176.300 0.049 0.000 0.964 185 D CA 1.953 55.925 54.000 -0.046 0.000 0.846 185 D CB 0.091 40.821 40.800 -0.115 0.000 0.962 185 D HN -0.059 8.227 8.370 -0.073 0.039 0.490 186 H N -2.299 116.898 119.070 0.211 0.000 2.326 186 H HA -0.136 4.707 4.556 0.478 0.000 0.301 186 H C 0.913 176.412 175.328 0.285 0.000 1.081 186 H CA 1.565 57.835 56.048 0.370 0.000 1.334 186 H CB 0.362 30.344 29.762 0.367 0.000 1.385 186 H HN -0.070 8.057 8.280 -0.025 0.138 0.504 187 Q N -0.118 119.872 119.800 0.316 0.000 2.436 187 Q HA -0.273 4.254 4.340 0.312 0.000 0.326 187 Q C -0.367 175.718 176.000 0.140 0.000 1.079 187 Q CA 0.479 56.417 55.803 0.225 0.000 1.049 187 Q CB -0.949 27.861 28.738 0.120 0.000 1.047 187 Q HN -0.505 7.932 8.270 0.277 0.000 0.386 188 Q N -1.806 118.111 119.800 0.195 0.000 2.426 188 Q HA -0.479 4.113 4.340 0.289 -0.079 0.359 188 Q C -1.515 174.561 176.000 0.126 0.000 1.381 188 Q CA 1.277 57.194 55.803 0.190 0.000 1.060 188 Q CB -2.729 26.027 28.738 0.029 0.000 1.253 188 Q HN 0.352 8.825 8.270 0.284 -0.033 0.363 189 Y N 1.586 121.763 120.300 -0.205 0.000 2.420 189 Y HA -0.148 4.159 4.550 -0.404 0.000 0.292 189 Y C -0.100 175.504 175.900 -0.494 0.000 1.119 189 Y CA 2.325 60.078 58.100 -0.579 0.000 1.229 189 Y CB 0.565 38.106 38.460 -1.531 0.000 1.026 189 Y HN -0.085 8.489 8.280 0.084 -0.244 0.554 190 L N -0.662 120.527 121.223 -0.057 0.000 2.027 190 L HA -0.312 3.985 4.340 -0.071 0.000 0.206 190 L C 2.158 178.998 176.870 -0.049 0.000 1.074 190 L CA 2.509 57.337 54.840 -0.020 0.000 0.745 190 L CB -0.994 41.114 42.059 0.082 0.000 0.898 190 L HN -0.298 7.982 8.230 0.083 0.000 0.433 191 H N -2.638 116.442 119.070 0.015 0.000 2.457 191 H HA -0.259 4.387 4.556 0.151 0.000 0.297 191 H C 1.056 176.348 175.328 -0.060 0.000 1.092 191 H CA 2.592 58.695 56.048 0.091 0.000 1.309 191 H CB -0.321 29.588 29.762 0.247 0.000 1.382 191 H HN 0.068 8.534 8.280 0.309 0.000 0.535 192 K N -1.563 118.489 120.400 -0.581 0.000 2.097 192 K HA -0.210 3.611 4.320 -0.832 0.000 0.205 192 K C -0.346 175.950 176.600 -0.507 0.000 1.050 192 K CA 1.664 57.552 56.287 -0.664 0.000 0.938 192 K CB 0.485 32.625 32.500 -0.601 0.000 0.718 192 K HN -0.118 7.793 8.250 -0.345 0.132 0.442 193 N N -4.639 113.738 118.700 -0.539 0.000 2.549 193 N HA 0.326 4.850 4.740 -0.359 0.000 0.281 193 N C -1.866 173.397 175.510 -0.412 0.000 1.084 193 N CA -2.679 50.010 53.050 -0.603 0.000 0.862 193 N CB 0.886 38.697 38.487 -1.127 0.000 1.333 193 N HN -0.552 7.382 8.380 -0.547 0.117 0.523 194 P HA 0.042 4.531 4.420 0.114 0.000 0.233 194 P C -1.358 176.058 177.300 0.194 0.000 1.167 194 P CA 0.920 64.075 63.100 0.092 0.000 0.770 194 P CB 0.282 32.062 31.700 0.134 0.000 0.837 195 Y N -6.797 113.560 120.300 0.096 0.000 2.457 195 Y HA 0.185 4.725 4.550 -0.016 0.000 0.263 195 Y C 0.119 176.104 175.900 0.142 0.000 1.164 195 Y CA -1.654 56.481 58.100 0.058 0.000 1.274 195 Y CB -0.759 37.702 38.460 0.002 0.000 1.097 195 Y HN -0.570 7.537 8.280 -0.207 0.049 0.523 196 G N 1.700 110.371 108.800 -0.216 0.000 4.126 196 G HA2 -0.012 3.998 3.960 0.084 0.000 0.282 196 G HA3 -0.012 4.056 3.960 -0.180 -0.217 0.282 196 G C -1.358 173.681 174.900 0.232 0.000 1.221 196 G CA -0.654 44.427 45.100 -0.031 0.000 1.527 196 G HN -0.694 7.218 8.290 -0.332 0.178 0.612 197 Y N -0.680 119.640 120.300 0.035 0.000 2.346 197 Y HA -0.015 4.544 4.550 0.014 0.000 0.330 197 Y C 1.300 177.221 175.900 0.035 0.000 1.178 197 Y CA -0.005 58.112 58.100 0.028 0.000 1.331 197 Y CB 0.734 39.206 38.460 0.021 0.000 1.253 197 Y HN -0.604 7.896 8.280 0.452 0.051 0.529 198 c N 1.047 119.660 118.600 0.020 0.000 2.480 198 c HA 0.508 5.101 4.570 0.038 0.000 0.304 198 c C 0.390 174.472 174.090 -0.013 0.000 1.399 198 c CA -0.936 55.367 56.329 -0.043 0.000 1.900 198 c CB 1.349 43.677 42.510 -0.304 0.000 2.194 198 c HN 0.431 8.581 8.230 -0.133 0.000 0.550 199 G N 1.335 110.102 108.800 -0.056 0.000 2.653 199 G HA2 -0.089 3.889 3.960 0.031 0.000 0.656 199 G HA3 -0.089 3.879 3.960 0.014 0.000 0.656 199 G C -1.908 172.950 174.900 -0.068 0.000 1.419 199 G CA -0.653 44.437 45.100 -0.016 0.000 0.862 199 G HN -0.379 7.828 8.290 -0.139 0.000 0.639 200 I N -0.239 120.296 120.570 -0.058 0.000 2.962 200 I HA 0.087 4.196 4.170 -0.101 0.000 0.246 200 I C 0.863 176.943 176.117 -0.062 0.000 1.091 200 I CA 0.586 61.836 61.300 -0.082 0.000 1.469 200 I CB 0.763 38.703 38.000 -0.099 0.000 1.324 200 I HN -0.082 8.111 8.210 -0.028 0.000 0.461 201 G N 1.039 109.814 108.800 -0.042 0.000 2.508 201 G HA2 0.016 3.942 3.960 -0.057 0.000 0.301 201 G HA3 0.016 3.959 3.960 -0.029 0.000 0.301 201 G C -0.366 174.523 174.900 -0.018 0.000 0.965 201 G CA -0.027 45.051 45.100 -0.037 0.000 1.339 201 G HN -0.072 8.199 8.290 -0.030 0.000 0.455 202 G N 3.565 112.353 108.800 -0.020 0.000 4.101 202 G HA2 0.055 4.016 3.960 0.002 0.000 0.262 202 G HA3 0.055 4.022 3.960 0.011 0.000 0.262 202 G C -1.244 173.656 174.900 -0.001 0.000 1.181 202 G CA -0.309 44.790 45.100 -0.001 0.000 0.640 202 G HN -0.414 7.856 8.290 -0.034 0.000 0.467 203 I N 1.377 121.939 120.570 -0.014 0.000 2.764 203 I HA 0.147 4.310 4.170 -0.010 0.000 0.294 203 I C 0.454 176.565 176.117 -0.011 0.000 1.045 203 I CA -0.664 60.626 61.300 -0.017 0.000 1.340 203 I CB 2.213 40.193 38.000 -0.033 0.000 1.436 203 I HN -0.207 7.992 8.210 -0.019 0.000 0.567 204 G N 4.609 113.401 108.800 -0.014 0.000 2.611 204 G HA2 0.065 4.005 3.960 -0.032 0.000 0.273 204 G HA3 0.065 4.002 3.960 -0.038 0.000 0.273 204 G C -0.777 174.103 174.900 -0.033 0.000 1.305 204 G CA -0.676 44.407 45.100 -0.030 0.000 1.010 204 G HN -0.145 8.140 8.290 -0.009 0.000 0.509 205 V N -2.264 117.623 119.914 -0.045 0.000 3.506 205 V HA -0.045 4.060 4.120 -0.026 0.000 0.263 205 V C 0.253 176.328 176.094 -0.032 0.000 1.203 205 V CA 0.327 62.605 62.300 -0.035 0.000 1.133 205 V CB 0.231 32.031 31.823 -0.039 0.000 0.802 205 V HN -0.044 8.107 8.190 -0.066 0.000 0.459 206 S N 0.729 116.407 115.700 -0.037 0.000 2.626 206 S HA -0.176 4.277 4.470 -0.027 0.000 0.303 206 S C -0.889 173.700 174.600 -0.019 0.000 1.256 206 S CA 1.355 59.538 58.200 -0.027 0.000 1.069 206 S CB 0.710 63.896 63.200 -0.024 0.000 0.807 206 S HN -0.331 7.914 8.310 -0.046 0.038 0.500 207 L N 4.766 125.981 121.223 -0.012 0.000 2.360 207 L HA 0.227 4.561 4.340 -0.010 0.000 0.271 207 L C -2.152 174.717 176.870 -0.001 0.000 1.057 207 L CA -3.046 51.789 54.840 -0.008 0.000 0.803 207 L CB -0.200 41.856 42.059 -0.005 0.000 1.207 207 L HN -0.128 8.095 8.230 -0.011 0.000 0.445 208 P HA 0.246 4.710 4.420 0.016 -0.035 0.276 208 P C -2.300 175.016 177.300 0.025 0.000 1.253 208 P CA -1.979 61.128 63.100 0.012 0.000 0.766 208 P CB -0.815 30.888 31.700 0.005 0.000 0.845 209 P HA 0.009 4.443 4.420 0.023 0.000 0.293 209 P C -0.556 176.766 177.300 0.038 0.000 1.298 209 P CA -1.103 62.017 63.100 0.034 0.000 0.757 209 P CB 0.698 32.419 31.700 0.035 0.000 1.262 210 E N -0.825 119.391 120.200 0.027 0.000 2.016 210 E HA -0.212 4.152 4.350 0.024 0.000 0.190 210 E C 0.876 177.494 176.600 0.029 0.000 0.985 210 E CA 1.559 57.973 56.400 0.023 0.000 0.802 210 E CB -0.264 29.443 29.700 0.013 0.000 0.762 210 E HN 0.081 8.453 8.360 0.020 0.000 0.448 211 A N 0.000 122.833 122.820 0.022 0.000 2.254 211 A HA 0.000 4.321 4.320 0.001 0.000 0.244 211 A CA 0.000 52.043 52.037 0.010 0.000 0.836 211 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 211 A HN 0.000 8.160 8.150 0.016 0.000 0.486