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 1zrt_1_R DATA FIRST_RESID 11 DATA SEQUENCE RRDFLYHATA ATGVVVTGAA VWPLINQMNA SADVKAMASI FVDVSAVEVG DATA SEQUENCE TQLTVKWRGK PVFIRRRDEK DIELARSVPL GALRDTSAEN ANKPGAEATD DATA SEQUENCE ENRTLPAFDG TNTGEWLVML GVCTHLGcVP MGDKSGDFGG WFCPcHGSHY DATA SEQUENCE DSAGRIRKGP APRNLDIPVA AFVDETTIKL G 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 11 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 11 R C 0.000 176.366 176.300 0.109 0.000 0.893 11 R CA 0.000 56.131 56.100 0.051 0.000 0.921 11 R CB 0.000 30.308 30.300 0.014 0.000 0.687 12 R N 2.223 122.759 120.500 0.061 0.000 2.112 12 R HA -0.138 4.257 4.340 0.092 0.000 0.242 12 R C 0.959 177.303 176.300 0.073 0.000 1.137 12 R CA 2.203 58.345 56.100 0.070 0.000 0.944 12 R CB -1.105 29.219 30.300 0.041 0.000 0.857 12 R HN 0.382 8.652 8.270 -0.000 0.000 0.435 13 D N 0.311 120.699 120.400 -0.021 0.000 2.116 13 D HA -0.179 4.517 4.640 0.092 0.000 0.193 13 D C 1.865 178.032 176.300 -0.221 0.000 0.998 13 D CA 1.126 55.006 54.000 -0.199 0.000 0.836 13 D CB -0.374 40.242 40.800 -0.307 0.000 0.951 13 D HN 0.116 8.486 8.370 -0.000 0.000 0.449 14 F N 1.737 121.573 119.950 -0.190 0.000 2.091 14 F HA -0.194 4.388 4.527 0.092 0.000 0.299 14 F C 2.345 178.176 175.800 0.052 0.000 1.103 14 F CA 1.210 59.168 58.000 -0.071 0.000 1.228 14 F CB -0.310 38.671 39.000 -0.030 0.000 0.984 14 F HN -0.114 8.186 8.300 -0.000 0.000 0.477 15 L N -1.528 119.802 121.223 0.178 0.000 1.994 15 L HA -0.257 4.138 4.340 0.092 0.000 0.208 15 L C 2.362 179.292 176.870 0.100 0.000 1.071 15 L CA 1.811 56.721 54.840 0.116 0.000 0.745 15 L CB -1.354 40.784 42.059 0.132 0.000 0.892 15 L HN 0.184 8.414 8.230 -0.000 0.000 0.431 16 Y N 0.742 121.054 120.300 0.019 0.000 2.040 16 Y HA -0.387 4.218 4.550 0.092 0.000 0.275 16 Y C 2.926 178.879 175.900 0.088 0.000 1.171 16 Y CA 2.136 60.270 58.100 0.055 0.000 1.123 16 Y CB -0.256 38.253 38.460 0.082 0.000 0.963 16 Y HN 0.175 8.455 8.280 -0.000 0.000 0.493 17 H N -0.449 118.732 119.070 0.185 0.000 2.390 17 H HA -0.199 4.413 4.556 0.092 0.000 0.298 17 H C 2.196 177.441 175.328 -0.138 0.000 1.106 17 H CA 1.135 57.186 56.048 0.006 0.000 1.297 17 H CB -0.905 28.785 29.762 -0.121 0.000 1.375 17 H HN 0.528 8.808 8.280 -0.000 0.000 0.509 18 A N 0.083 122.854 122.820 -0.083 0.000 1.845 18 A HA -0.209 4.166 4.320 0.092 0.000 0.215 18 A C 2.676 180.212 177.584 -0.080 0.000 1.195 18 A CA 2.671 54.620 52.037 -0.147 0.000 0.616 18 A CB -1.238 17.681 19.000 -0.134 0.000 0.832 18 A HN 0.614 8.764 8.150 -0.000 0.000 0.443 19 T N -1.369 113.143 114.554 -0.070 0.000 2.635 19 T HA -0.146 4.259 4.350 0.092 0.000 0.267 19 T C 1.970 176.615 174.700 -0.092 0.000 1.040 19 T CA 2.491 64.535 62.100 -0.093 0.000 1.156 19 T CB -0.972 67.805 68.868 -0.151 0.000 0.863 19 T HN 0.766 9.006 8.240 -0.000 0.000 0.430 20 A N 2.514 125.280 122.820 -0.089 0.000 1.859 20 A HA 0.128 4.503 4.320 0.092 0.000 0.217 20 A C 2.964 180.510 177.584 -0.064 0.000 1.198 20 A CA 2.909 54.904 52.037 -0.069 0.000 0.629 20 A CB -1.675 17.307 19.000 -0.031 0.000 0.830 20 A HN 0.982 9.132 8.150 -0.000 0.000 0.446 21 A N -0.499 122.278 122.820 -0.072 0.000 1.892 21 A HA -0.200 4.175 4.320 0.092 0.000 0.218 21 A C 2.507 180.061 177.584 -0.051 0.000 1.188 21 A CA 3.181 55.177 52.037 -0.068 0.000 0.631 21 A CB -1.690 17.258 19.000 -0.087 0.000 0.822 21 A HN 0.980 9.130 8.150 -0.000 0.000 0.447 22 T N -2.369 112.154 114.554 -0.051 0.000 2.720 22 T HA -0.027 4.378 4.350 0.092 0.000 0.268 22 T C 1.948 176.629 174.700 -0.033 0.000 1.037 22 T CA 1.934 64.012 62.100 -0.037 0.000 1.144 22 T CB -1.238 67.608 68.868 -0.036 0.000 0.864 22 T HN 0.547 8.787 8.240 -0.000 0.000 0.444 23 G N 1.360 110.135 108.800 -0.041 0.000 2.553 23 G HA2 -0.220 3.795 3.960 0.092 0.000 0.218 23 G HA3 -0.220 3.795 3.960 0.092 0.000 0.218 23 G C 1.686 176.571 174.900 -0.025 0.000 1.195 23 G CA 1.259 46.338 45.100 -0.035 0.000 0.779 23 G HN 0.474 8.764 8.290 -0.000 0.000 0.577 24 V N 0.158 120.055 119.914 -0.028 0.000 2.250 24 V HA -0.252 3.923 4.120 0.092 0.000 0.253 24 V C 3.001 179.090 176.094 -0.009 0.000 1.065 24 V CA 1.936 64.224 62.300 -0.020 0.000 1.039 24 V CB -0.707 31.100 31.823 -0.026 0.000 0.647 24 V HN 0.250 8.440 8.190 -0.000 0.000 0.446 25 V N 0.038 119.945 119.914 -0.012 0.000 2.220 25 V HA -0.307 3.868 4.120 0.092 0.000 0.250 25 V C 2.401 178.497 176.094 0.005 0.000 1.056 25 V CA 2.653 64.951 62.300 -0.004 0.000 1.016 25 V CB -0.487 31.330 31.823 -0.009 0.000 0.639 25 V HN 0.516 8.706 8.190 -0.000 0.000 0.446 26 V N -1.675 118.238 119.914 -0.000 0.000 2.250 26 V HA -0.350 3.825 4.120 0.092 0.000 0.250 26 V C 2.314 178.417 176.094 0.014 0.000 1.060 26 V CA 2.766 65.069 62.300 0.006 0.000 1.030 26 V CB -1.853 29.969 31.823 -0.002 0.000 0.643 26 V HN 0.587 8.777 8.190 -0.000 0.000 0.445 27 T N 0.877 115.435 114.554 0.007 0.000 2.570 27 T HA -0.180 4.225 4.350 0.092 0.000 0.266 27 T C 1.955 176.672 174.700 0.028 0.000 1.071 27 T CA 2.440 64.547 62.100 0.011 0.000 1.172 27 T CB -1.067 67.802 68.868 0.003 0.000 0.864 27 T HN 0.725 8.965 8.240 -0.000 0.000 0.421 28 G N 0.922 109.741 108.800 0.033 0.000 2.469 28 G HA2 -0.151 3.864 3.960 0.092 0.000 0.219 28 G HA3 -0.151 3.864 3.960 0.092 0.000 0.219 28 G C 1.830 176.788 174.900 0.096 0.000 1.150 28 G CA 1.237 46.373 45.100 0.061 0.000 0.763 28 G HN 0.631 8.921 8.290 -0.000 0.000 0.561 29 A N 1.028 123.892 122.820 0.072 0.000 1.917 29 A HA 0.113 4.488 4.320 0.092 0.000 0.219 29 A C 2.797 180.447 177.584 0.111 0.000 1.182 29 A CA 2.728 54.817 52.037 0.085 0.000 0.633 29 A CB -0.762 18.267 19.000 0.047 0.000 0.819 29 A HN 0.898 9.048 8.150 -0.000 0.000 0.448 30 A N -1.201 121.661 122.820 0.071 0.000 1.903 30 A HA 0.163 4.538 4.320 0.092 0.000 0.213 30 A C 2.176 179.785 177.584 0.042 0.000 1.185 30 A CA 1.239 53.308 52.037 0.054 0.000 0.628 30 A CB -0.924 18.090 19.000 0.023 0.000 0.830 30 A HN 0.382 8.532 8.150 -0.000 0.000 0.446 31 V N -0.362 119.577 119.914 0.041 0.000 2.317 31 V HA -0.322 3.853 4.120 0.092 0.000 0.251 31 V C 2.235 178.324 176.094 -0.008 0.000 1.065 31 V CA 2.251 64.558 62.300 0.012 0.000 1.049 31 V CB -0.807 31.034 31.823 0.030 0.000 0.651 31 V HN 0.840 9.030 8.190 -0.000 0.000 0.450 32 W N 2.203 123.496 121.300 -0.011 0.000 2.311 32 W HA -0.148 4.568 4.660 0.093 0.000 0.326 32 W C -0.287 176.226 176.519 -0.011 0.000 1.239 32 W CA 2.516 59.855 57.345 -0.011 0.000 1.258 32 W CB -1.971 27.483 29.460 -0.010 0.000 1.165 32 W HN 0.328 8.508 8.180 -0.000 0.000 0.466 33 P HA -0.249 4.171 4.420 -0.000 0.000 0.216 33 P C 2.149 179.266 177.300 -0.305 0.000 1.150 33 P CA 2.002 64.976 63.100 -0.210 0.000 0.843 33 P CB -0.516 31.199 31.700 0.025 0.000 0.787 34 L N -0.680 120.410 121.223 -0.220 0.000 1.989 34 L HA -0.176 4.219 4.340 0.092 0.000 0.211 34 L C 2.824 179.510 176.870 -0.307 0.000 1.071 34 L CA 1.674 56.395 54.840 -0.198 0.000 0.749 34 L CB -1.016 40.965 42.059 -0.130 0.000 0.890 34 L HN -0.112 8.118 8.230 -0.000 0.000 0.431 35 I N -0.102 120.204 120.570 -0.440 0.000 2.423 35 I HA -0.294 3.931 4.170 0.092 0.000 0.254 35 I C 2.168 177.885 176.117 -0.667 0.000 1.151 35 I CA 1.285 62.267 61.300 -0.531 0.000 1.421 35 I CB -0.447 37.177 38.000 -0.626 0.000 1.079 35 I HN 0.386 8.596 8.210 -0.000 0.000 0.431 36 N N 0.929 119.116 118.700 -0.854 0.000 2.182 36 N HA -0.199 4.596 4.740 0.092 0.000 0.186 36 N C 1.815 177.173 175.510 -0.253 0.000 1.036 36 N CA 1.380 54.092 53.050 -0.563 0.000 0.850 36 N CB -0.158 38.084 38.487 -0.408 0.000 1.010 36 N HN 0.377 8.757 8.380 -0.000 0.000 0.432 37 Q N 0.452 120.131 119.800 -0.202 0.000 2.129 37 Q HA -0.300 4.095 4.340 0.092 0.000 0.218 37 Q C 1.360 177.301 176.000 -0.098 0.000 1.040 37 Q CA 2.461 58.196 55.803 -0.112 0.000 0.913 37 Q CB -1.044 27.633 28.738 -0.101 0.000 1.030 37 Q HN 0.428 8.698 8.270 -0.000 0.000 0.419 38 M N 0.578 120.105 119.600 -0.121 0.000 2.818 38 M HA 0.038 4.573 4.480 0.092 0.000 0.226 38 M C -0.038 176.211 176.300 -0.085 0.000 1.050 38 M CA 0.158 55.401 55.300 -0.096 0.000 1.059 38 M CB -0.542 31.995 32.600 -0.105 0.000 1.634 38 M HN 0.261 8.551 8.290 -0.000 0.000 0.545 39 N N 0.360 119.013 118.700 -0.080 0.000 2.430 39 N HA 0.382 5.177 4.740 0.092 0.000 0.298 39 N C -0.625 174.870 175.510 -0.024 0.000 1.130 39 N CA -0.053 52.967 53.050 -0.049 0.000 0.894 39 N CB 1.401 39.866 38.487 -0.037 0.000 1.209 39 N HN 0.138 8.518 8.380 -0.000 0.000 0.503 40 A N 1.767 124.577 122.820 -0.016 0.000 1.829 40 A HA -0.140 4.235 4.320 0.092 0.000 0.338 40 A C 0.957 178.535 177.584 -0.010 0.000 0.916 40 A CA 0.971 53.000 52.037 -0.013 0.000 1.518 40 A CB -1.371 17.626 19.000 -0.006 0.000 0.646 40 A HN 0.628 8.778 8.150 -0.000 0.000 0.228 41 S N 2.078 117.768 115.700 -0.016 0.000 2.537 41 S HA 0.223 4.748 4.470 0.092 0.000 0.280 41 S C 1.591 176.186 174.600 -0.007 0.000 1.335 41 S CA 0.433 58.625 58.200 -0.013 0.000 1.025 41 S CB 0.234 63.425 63.200 -0.016 0.000 0.836 41 S HN 1.923 10.233 8.310 -0.000 0.000 0.523 42 A N 3.649 126.467 122.820 -0.004 0.000 1.904 42 A HA -0.132 4.243 4.320 0.092 0.000 0.207 42 A C 1.966 179.548 177.584 -0.004 0.000 1.231 42 A CA 1.864 53.900 52.037 -0.001 0.000 0.655 42 A CB -1.595 17.406 19.000 0.002 0.000 0.875 42 A HN 1.080 9.230 8.150 -0.000 0.000 0.478 43 D N 0.169 120.567 120.400 -0.004 0.000 2.370 43 D HA -0.258 4.437 4.640 0.092 0.000 0.190 43 D C 1.717 178.012 176.300 -0.009 0.000 1.019 43 D CA 2.790 56.787 54.000 -0.005 0.000 0.869 43 D CB -1.397 39.400 40.800 -0.004 0.000 0.944 43 D HN 0.259 8.629 8.370 -0.000 0.000 0.456 44 V N 1.818 121.724 119.914 -0.014 0.000 2.613 44 V HA -0.318 3.857 4.120 0.092 0.000 0.259 44 V C 2.746 178.824 176.094 -0.027 0.000 1.099 44 V CA 2.233 64.520 62.300 -0.022 0.000 1.115 44 V CB -1.208 30.600 31.823 -0.026 0.000 0.686 44 V HN 0.344 8.534 8.190 -0.000 0.000 0.481 45 K N 0.471 120.860 120.400 -0.019 0.000 2.089 45 K HA -0.304 4.071 4.320 0.092 0.000 0.210 45 K C 1.915 178.502 176.600 -0.023 0.000 1.048 45 K CA 1.703 57.978 56.287 -0.019 0.000 0.926 45 K CB -0.469 32.025 32.500 -0.009 0.000 0.714 45 K HN 0.463 8.713 8.250 -0.000 0.000 0.448 46 A N 0.740 123.551 122.820 -0.015 0.000 3.014 46 A HA -0.401 3.974 4.320 0.092 0.000 0.292 46 A C 1.180 178.759 177.584 -0.008 0.000 2.512 46 A CA 3.292 55.323 52.037 -0.010 0.000 0.986 46 A CB -1.178 17.815 19.000 -0.012 0.000 0.692 46 A HN 0.711 8.861 8.150 -0.000 0.000 0.385 47 M N -3.104 116.483 119.600 -0.021 0.000 2.705 47 M HA -0.167 4.368 4.480 0.092 0.000 0.213 47 M C 0.436 176.767 176.300 0.052 0.000 0.480 47 M CA 0.227 55.518 55.300 -0.015 0.000 0.656 47 M CB -2.524 30.066 32.600 -0.018 0.000 2.443 47 M HN 1.747 10.037 8.290 -0.000 0.000 0.703 48 A N 0.102 122.965 122.820 0.071 0.000 2.261 48 A HA 0.664 5.039 4.320 0.092 0.000 0.275 48 A C 0.758 178.438 177.584 0.161 0.000 1.246 48 A CA 0.296 52.383 52.037 0.082 0.000 0.810 48 A CB 0.355 19.384 19.000 0.048 0.000 1.168 48 A HN 0.472 8.622 8.150 -0.000 0.000 0.506 49 S N -1.790 113.923 115.700 0.022 0.000 2.704 49 S HA 0.755 5.280 4.470 0.092 0.000 0.305 49 S C -0.865 173.535 174.600 -0.333 0.000 1.107 49 S CA -0.230 57.904 58.200 -0.110 0.000 0.993 49 S CB 1.318 64.397 63.200 -0.202 0.000 1.110 49 S HN 0.622 8.932 8.310 -0.000 0.000 0.534 50 I N 0.552 120.767 120.570 -0.592 0.000 2.918 50 I HA 0.493 4.718 4.170 0.092 0.000 0.301 50 I C -2.034 173.693 176.117 -0.650 0.000 1.312 50 I CA -0.750 60.161 61.300 -0.649 0.000 1.007 50 I CB 1.562 39.297 38.000 -0.442 0.000 1.281 50 I HN 0.634 8.844 8.210 -0.000 0.000 0.440 51 F N 5.595 125.469 119.950 -0.127 0.000 2.426 51 F HA 0.632 5.215 4.527 0.093 0.000 0.348 51 F C -0.221 175.531 175.800 -0.081 0.000 1.124 51 F CA -1.153 56.787 58.000 -0.101 0.000 1.008 51 F CB 1.610 40.571 39.000 -0.066 0.000 1.139 51 F HN -0.044 8.256 8.300 -0.000 0.000 0.452 52 V N 2.330 122.309 119.914 0.109 0.000 2.435 52 V HA 0.121 4.296 4.120 0.092 0.000 0.290 52 V C 0.015 176.146 176.094 0.062 0.000 1.030 52 V CA -0.683 61.654 62.300 0.062 0.000 0.881 52 V CB 1.609 33.454 31.823 0.035 0.000 0.983 52 V HN 0.608 8.798 8.190 -0.000 0.000 0.445 53 D N 3.228 123.656 120.400 0.047 0.000 2.841 53 D HA 0.053 4.748 4.640 0.092 0.000 0.244 53 D C 1.578 177.900 176.300 0.035 0.000 1.228 53 D CA 0.278 54.290 54.000 0.021 0.000 0.872 53 D CB 0.115 40.926 40.800 0.018 0.000 1.082 53 D HN 0.342 8.712 8.370 -0.000 0.000 0.457 54 V N 0.645 120.595 119.914 0.060 0.000 2.319 54 V HA -0.442 3.733 4.120 0.092 0.000 0.264 54 V C 2.299 178.445 176.094 0.087 0.000 1.107 54 V CA 2.204 64.589 62.300 0.142 0.000 1.101 54 V CB -0.663 31.135 31.823 -0.041 0.000 0.704 54 V HN 0.641 8.831 8.190 -0.000 0.000 0.454 55 S N -0.780 114.907 115.700 -0.021 0.000 2.435 55 S HA -0.395 4.130 4.470 0.092 0.000 0.322 55 S C 0.607 175.200 174.600 -0.011 0.000 1.387 55 S CA 1.654 59.828 58.200 -0.043 0.000 1.240 55 S CB -0.770 62.418 63.200 -0.020 0.000 1.266 55 S HN 2.593 10.903 8.310 -0.000 0.000 0.730 56 A N -2.144 120.707 122.820 0.051 0.000 2.412 56 A HA 0.172 4.547 4.320 0.092 0.000 0.677 56 A C -0.255 177.379 177.584 0.082 0.000 0.150 56 A CA 0.005 52.099 52.037 0.095 0.000 0.087 56 A CB -1.124 17.909 19.000 0.054 0.000 3.918 56 A HN 1.131 9.281 8.150 -0.000 0.000 0.543 57 V N 3.113 123.091 119.914 0.107 0.000 2.908 57 V HA 0.366 4.541 4.120 0.092 0.000 0.369 57 V C 0.661 176.775 176.094 0.034 0.000 1.259 57 V CA 0.774 63.108 62.300 0.058 0.000 1.406 57 V CB -1.116 30.736 31.823 0.049 0.000 1.475 57 V HN 1.047 9.237 8.190 -0.000 0.000 0.587 58 E N -0.574 119.651 120.200 0.042 0.000 8.951 58 E HA -0.194 4.211 4.350 0.092 0.000 0.467 58 E C -0.037 176.558 176.600 -0.009 0.000 1.277 58 E CA 0.243 56.657 56.400 0.023 0.000 2.218 58 E CB 0.041 29.747 29.700 0.009 0.000 1.018 58 E HN 0.268 8.628 8.360 -0.000 0.000 0.336 59 V N 1.427 121.336 119.914 -0.008 0.000 2.752 59 V HA 0.023 4.198 4.120 0.092 0.000 0.306 59 V C 1.609 177.660 176.094 -0.072 0.000 1.099 59 V CA 1.515 63.793 62.300 -0.037 0.000 1.240 59 V CB 0.384 32.198 31.823 -0.014 0.000 0.887 59 V HN 1.048 9.238 8.190 -0.000 0.000 0.499 60 G N 4.000 112.731 108.800 -0.115 0.000 2.424 60 G HA2 -0.257 3.758 3.960 0.092 0.000 0.290 60 G HA3 -0.257 3.758 3.960 0.092 0.000 0.290 60 G C 0.444 175.289 174.900 -0.092 0.000 0.912 60 G CA 0.786 45.818 45.100 -0.114 0.000 1.142 60 G HN 0.898 9.188 8.290 -0.000 0.000 0.501 61 T N -1.287 113.204 114.554 -0.105 0.000 2.507 61 T HA 0.606 5.011 4.350 0.092 0.000 0.180 61 T C 0.311 174.973 174.700 -0.064 0.000 0.681 61 T CA 0.720 62.777 62.100 -0.071 0.000 1.959 61 T CB 0.523 69.357 68.868 -0.057 0.000 2.896 61 T HN 0.829 9.069 8.240 -0.000 0.000 0.391 62 Q N 0.706 120.461 119.800 -0.076 0.000 3.442 62 Q HA 0.095 4.490 4.340 0.092 0.000 0.146 62 Q C -2.483 173.435 176.000 -0.137 0.000 0.976 62 Q CA -0.234 55.509 55.803 -0.100 0.000 1.262 62 Q CB 0.098 28.792 28.738 -0.073 0.000 1.661 62 Q HN 0.556 8.826 8.270 -0.000 0.000 0.602 63 L N 4.665 125.810 121.223 -0.129 0.000 2.333 63 L HA 0.767 5.162 4.340 0.092 0.000 0.280 63 L C -0.769 176.001 176.870 -0.166 0.000 1.004 63 L CA 0.079 54.863 54.840 -0.094 0.000 0.820 63 L CB 1.663 43.731 42.059 0.015 0.000 1.247 63 L HN 0.794 9.024 8.230 -0.000 0.000 0.416 64 T N 2.571 117.021 114.554 -0.173 0.000 2.771 64 T HA 0.746 5.151 4.350 0.092 0.000 0.281 64 T C -0.274 174.422 174.700 -0.007 0.000 0.982 64 T CA -0.642 61.373 62.100 -0.142 0.000 0.978 64 T CB 1.723 70.508 68.868 -0.138 0.000 0.930 64 T HN 0.384 8.624 8.240 -0.000 0.000 0.447 65 V N 2.532 122.475 119.914 0.048 0.000 2.789 65 V HA 0.518 4.693 4.120 0.092 0.000 0.311 65 V C -0.002 176.169 176.094 0.128 0.000 1.073 65 V CA -1.390 60.954 62.300 0.074 0.000 0.921 65 V CB 2.171 34.029 31.823 0.059 0.000 1.009 65 V HN 1.048 9.238 8.190 -0.000 0.000 0.426 66 K N 2.757 123.229 120.400 0.120 0.000 2.383 66 K HA 0.190 4.565 4.320 0.092 0.000 0.286 66 K C -1.392 175.346 176.600 0.229 0.000 1.051 66 K CA -0.148 56.224 56.287 0.142 0.000 0.974 66 K CB 0.469 33.026 32.500 0.095 0.000 0.968 66 K HN 0.675 8.925 8.250 -0.000 0.000 0.475 67 W N 5.799 127.103 121.300 0.007 0.000 2.715 67 W HA 0.333 5.050 4.660 0.095 0.000 0.331 67 W C -0.889 175.624 176.519 -0.009 0.000 1.031 67 W CA -1.077 56.264 57.345 -0.007 0.000 1.237 67 W CB 0.740 30.194 29.460 -0.008 0.000 1.378 67 W HN 0.798 8.978 8.180 -0.000 0.000 0.454 68 R N 4.760 125.125 120.500 -0.225 0.000 3.022 68 R HA -0.175 4.220 4.340 0.092 0.000 0.248 68 R C 1.347 177.509 176.300 -0.230 0.000 0.874 68 R CA 1.353 57.234 56.100 -0.364 0.000 0.626 68 R CB -1.352 28.475 30.300 -0.788 0.000 1.255 68 R HN 1.364 9.634 8.270 -0.000 0.000 0.496 69 G N -0.283 108.460 108.800 -0.095 0.000 2.448 69 G HA2 -0.451 3.564 3.960 0.092 0.000 0.257 69 G HA3 -0.451 3.564 3.960 0.092 0.000 0.257 69 G C 0.210 175.083 174.900 -0.045 0.000 0.997 69 G CA 1.435 46.499 45.100 -0.059 0.000 0.635 69 G HN 0.431 8.721 8.290 -0.000 0.000 0.556 70 K N 1.418 121.772 120.400 -0.077 0.000 2.130 70 K HA 0.574 4.950 4.320 0.092 0.000 0.268 70 K C -2.594 174.037 176.600 0.053 0.000 0.983 70 K CA -2.089 54.178 56.287 -0.034 0.000 0.893 70 K CB 1.713 34.161 32.500 -0.086 0.000 1.066 70 K HN 0.025 8.275 8.250 -0.000 0.000 0.450 71 P HA 0.102 4.522 4.420 -0.000 0.000 0.281 71 P C -1.016 176.400 177.300 0.194 0.000 1.252 71 P CA -0.460 62.727 63.100 0.144 0.000 0.778 71 P CB 0.835 32.625 31.700 0.149 0.000 0.895 72 V N 4.896 124.952 119.914 0.235 0.000 2.459 72 V HA 0.306 4.481 4.120 0.092 0.000 0.295 72 V C -0.215 176.026 176.094 0.245 0.000 1.029 72 V CA -0.413 62.039 62.300 0.255 0.000 0.874 72 V CB 0.917 32.910 31.823 0.284 0.000 0.985 72 V HN 0.363 8.553 8.190 -0.000 0.000 0.438 73 F N 5.449 125.396 119.950 -0.006 0.000 2.377 73 F HA 0.498 5.082 4.527 0.094 0.000 0.360 73 F C 0.349 176.166 175.800 0.029 0.000 1.147 73 F CA -0.523 57.462 58.000 -0.026 0.000 1.170 73 F CB 0.426 39.310 39.000 -0.194 0.000 1.339 73 F HN 0.269 8.569 8.300 -0.000 0.000 0.552 74 I N 5.157 125.743 120.570 0.028 0.000 2.331 74 I HA 0.430 4.655 4.170 0.092 0.000 0.292 74 I C -0.018 176.145 176.117 0.076 0.000 0.998 74 I CA -0.541 60.833 61.300 0.124 0.000 1.267 74 I CB 1.361 39.471 38.000 0.183 0.000 1.386 74 I HN 0.409 8.619 8.210 -0.000 0.000 0.476 75 R N 5.886 126.450 120.500 0.107 0.000 2.548 75 R HA 0.459 4.855 4.340 0.092 0.000 0.280 75 R C -0.748 175.394 176.300 -0.263 0.000 1.061 75 R CA -0.793 55.295 56.100 -0.021 0.000 0.915 75 R CB 2.198 32.593 30.300 0.158 0.000 1.210 75 R HN 0.628 8.898 8.270 -0.000 0.000 0.442 76 R N 1.512 121.695 120.500 -0.528 0.000 2.652 76 R HA 0.350 4.746 4.340 0.092 0.000 0.272 76 R C -0.090 176.006 176.300 -0.341 0.000 1.162 76 R CA 0.067 55.686 56.100 -0.801 0.000 1.199 76 R CB 0.746 30.631 30.300 -0.693 0.000 1.166 76 R HN 0.468 8.738 8.270 -0.000 0.000 0.597 77 R N -0.301 120.039 120.500 -0.267 0.000 2.854 77 R HA 0.233 4.628 4.340 0.092 0.000 0.271 77 R C -1.266 174.987 176.300 -0.078 0.000 0.994 77 R CA -0.846 55.187 56.100 -0.113 0.000 0.945 77 R CB 1.613 31.881 30.300 -0.053 0.000 1.194 77 R HN 0.537 8.807 8.270 -0.000 0.000 0.476 78 D N 0.832 121.203 120.400 -0.048 0.000 2.256 78 D HA 0.089 4.784 4.640 0.092 0.000 0.246 78 D C 0.212 176.500 176.300 -0.020 0.000 1.042 78 D CA -0.278 53.700 54.000 -0.037 0.000 0.841 78 D CB 1.739 42.513 40.800 -0.043 0.000 1.223 78 D HN 0.400 8.770 8.370 -0.000 0.000 0.470 79 E N 2.641 122.832 120.200 -0.014 0.000 2.037 79 E HA -0.271 4.134 4.350 0.092 0.000 0.214 79 E C 1.671 178.271 176.600 -0.001 0.000 1.041 79 E CA 2.051 58.449 56.400 -0.005 0.000 0.872 79 E CB -0.011 29.686 29.700 -0.004 0.000 0.785 79 E HN 0.518 8.878 8.360 -0.000 0.000 0.476 80 K N 0.414 120.811 120.400 -0.005 0.000 2.090 80 K HA -0.265 4.110 4.320 0.092 0.000 0.218 80 K C 1.902 178.504 176.600 0.003 0.000 1.055 80 K CA 1.931 58.217 56.287 -0.002 0.000 0.941 80 K CB -0.369 32.126 32.500 -0.010 0.000 0.722 80 K HN 0.206 8.456 8.250 -0.000 0.000 0.458 81 D N 0.568 120.964 120.400 -0.005 0.000 2.104 81 D HA -0.162 4.533 4.640 0.092 0.000 0.194 81 D C 1.991 178.305 176.300 0.023 0.000 0.994 81 D CA 1.199 55.200 54.000 0.001 0.000 0.830 81 D CB -0.196 40.594 40.800 -0.017 0.000 0.959 81 D HN 0.237 8.607 8.370 -0.000 0.000 0.452 82 I N 1.086 121.668 120.570 0.020 0.000 2.315 82 I HA -0.210 4.015 4.170 0.092 0.000 0.248 82 I C 2.325 178.460 176.117 0.029 0.000 1.117 82 I CA 0.959 62.277 61.300 0.029 0.000 1.404 82 I CB -0.118 37.896 38.000 0.024 0.000 1.071 82 I HN -0.000 8.210 8.210 -0.000 0.000 0.419 83 E N 0.793 121.007 120.200 0.022 0.000 2.031 83 E HA -0.219 4.186 4.350 0.092 0.000 0.193 83 E C 2.342 178.959 176.600 0.027 0.000 0.994 83 E CA 1.216 57.629 56.400 0.022 0.000 0.800 83 E CB -0.146 29.564 29.700 0.017 0.000 0.752 83 E HN 0.436 8.796 8.360 -0.000 0.000 0.447 84 L N 0.803 122.045 121.223 0.032 0.000 1.990 84 L HA -0.289 4.106 4.340 0.092 0.000 0.213 84 L C 2.692 179.587 176.870 0.041 0.000 1.072 84 L CA 1.305 56.170 54.840 0.042 0.000 0.755 84 L CB -0.835 41.255 42.059 0.053 0.000 0.889 84 L HN 0.174 8.404 8.230 -0.000 0.000 0.432 85 A N 0.442 123.290 122.820 0.047 0.000 1.859 85 A HA -0.263 4.112 4.320 0.092 0.000 0.218 85 A C 2.281 179.888 177.584 0.038 0.000 1.209 85 A CA 2.042 54.110 52.037 0.053 0.000 0.639 85 A CB -0.731 18.308 19.000 0.065 0.000 0.835 85 A HN 0.365 8.515 8.150 -0.000 0.000 0.450 86 R N 0.356 120.877 120.500 0.035 0.000 2.357 86 R HA -0.028 4.367 4.340 0.092 0.000 0.202 86 R C 1.226 177.538 176.300 0.021 0.000 1.047 86 R CA 0.880 56.997 56.100 0.027 0.000 1.034 86 R CB -0.251 30.064 30.300 0.026 0.000 0.875 86 R HN 0.662 8.932 8.270 -0.000 0.000 0.473 87 S N -1.202 114.510 115.700 0.020 0.000 2.574 87 S HA 0.192 4.717 4.470 0.092 0.000 0.242 87 S C 0.136 174.741 174.600 0.009 0.000 0.982 87 S CA -0.655 57.555 58.200 0.016 0.000 0.977 87 S CB 0.665 63.878 63.200 0.021 0.000 0.814 87 S HN -0.125 8.185 8.310 -0.000 0.000 0.464 88 V N 4.410 124.326 119.914 0.002 0.000 2.350 88 V HA 0.473 4.648 4.120 0.092 0.000 0.285 88 V C -2.148 173.939 176.094 -0.011 0.000 1.014 88 V CA -1.835 60.456 62.300 -0.014 0.000 0.831 88 V CB 1.462 33.266 31.823 -0.032 0.000 1.000 88 V HN 0.389 8.579 8.190 -0.000 0.000 0.433 89 P HA 0.275 4.695 4.420 -0.000 0.000 0.275 89 P C 1.092 178.383 177.300 -0.015 0.000 1.228 89 P CA -0.346 62.749 63.100 -0.009 0.000 0.786 89 P CB 1.621 33.317 31.700 -0.007 0.000 0.927 90 L N 1.565 122.782 121.223 -0.009 0.000 1.978 90 L HA -0.156 4.239 4.340 0.092 0.000 0.218 90 L C 1.725 178.584 176.870 -0.018 0.000 1.075 90 L CA 1.793 56.626 54.840 -0.012 0.000 0.767 90 L CB -1.536 40.519 42.059 -0.006 0.000 0.890 90 L HN 0.595 8.825 8.230 -0.000 0.000 0.434 91 G N -0.704 108.087 108.800 -0.014 0.000 2.138 91 G HA2 0.166 4.181 3.960 0.092 0.000 0.244 91 G HA3 0.166 4.181 3.960 0.092 0.000 0.244 91 G C 0.719 175.605 174.900 -0.024 0.000 1.166 91 G CA 0.237 45.328 45.100 -0.016 0.000 0.902 91 G HN 0.819 9.109 8.290 -0.000 0.000 0.460 92 A N 1.879 124.682 122.820 -0.027 0.000 3.115 92 A HA -0.142 4.233 4.320 0.092 0.000 0.263 92 A C 0.585 178.134 177.584 -0.058 0.000 1.391 92 A CA 0.901 52.915 52.037 -0.038 0.000 0.778 92 A CB -1.651 17.329 19.000 -0.034 0.000 1.034 92 A HN 1.534 9.684 8.150 -0.000 0.000 0.551 93 L N -1.055 120.137 121.223 -0.051 0.000 3.193 93 L HA 0.366 4.761 4.340 0.092 0.000 0.305 93 L C 1.207 178.044 176.870 -0.055 0.000 1.299 93 L CA 0.269 55.072 54.840 -0.062 0.000 0.904 93 L CB -0.079 41.952 42.059 -0.046 0.000 1.331 93 L HN 0.679 8.909 8.230 -0.000 0.000 0.588 94 R N 0.656 121.122 120.500 -0.056 0.000 3.536 94 R HA -0.350 4.045 4.340 0.092 0.000 0.556 94 R C 0.241 176.516 176.300 -0.042 0.000 0.246 94 R CA 2.561 58.629 56.100 -0.053 0.000 1.276 94 R CB -0.810 29.447 30.300 -0.072 0.000 0.726 94 R HN 0.582 8.852 8.270 -0.000 0.000 0.489 95 D N -0.396 119.976 120.400 -0.046 0.000 2.382 95 D HA 0.034 4.729 4.640 0.092 0.000 0.259 95 D C 0.018 176.305 176.300 -0.021 0.000 1.224 95 D CA 0.827 54.808 54.000 -0.031 0.000 0.894 95 D CB 1.170 41.952 40.800 -0.031 0.000 1.127 95 D HN 0.363 8.733 8.370 -0.000 0.000 0.487 96 T N 1.747 116.292 114.554 -0.015 0.000 3.134 96 T HA 0.046 4.451 4.350 0.092 0.000 0.260 96 T C 1.506 176.205 174.700 -0.001 0.000 1.027 96 T CA 0.409 62.504 62.100 -0.009 0.000 0.913 96 T CB -0.119 68.743 68.868 -0.010 0.000 1.046 96 T HN 0.332 8.572 8.240 -0.000 0.000 0.553 97 S N 1.004 116.705 115.700 0.001 0.000 2.439 97 S HA 0.477 5.003 4.470 0.092 0.000 0.224 97 S C 0.932 175.540 174.600 0.013 0.000 1.029 97 S CA 0.883 59.087 58.200 0.006 0.000 0.946 97 S CB -0.362 62.841 63.200 0.005 0.000 0.797 97 S HN 1.002 9.312 8.310 -0.000 0.000 0.504 98 A N 1.100 123.931 122.820 0.017 0.000 1.940 98 A HA -0.115 4.260 4.320 0.092 0.000 0.245 98 A C 0.607 178.206 177.584 0.026 0.000 1.356 98 A CA 0.888 52.941 52.037 0.027 0.000 0.699 98 A CB -2.071 16.946 19.000 0.029 0.000 1.180 98 A HN 0.533 8.683 8.150 -0.000 0.000 0.272 99 E N 1.628 121.845 120.200 0.027 0.000 2.068 99 E HA -0.238 4.168 4.350 0.092 0.000 0.207 99 E C 1.062 177.678 176.600 0.027 0.000 1.032 99 E CA 1.774 58.189 56.400 0.024 0.000 0.839 99 E CB -0.439 29.276 29.700 0.025 0.000 0.758 99 E HN 1.189 9.549 8.360 -0.000 0.000 0.457 100 N N -0.107 118.612 118.700 0.032 0.000 2.862 100 N HA -0.232 4.563 4.740 0.092 0.000 0.315 100 N C 0.099 175.628 175.510 0.030 0.000 1.129 100 N CA 0.126 53.196 53.050 0.033 0.000 0.806 100 N CB 0.061 38.568 38.487 0.033 0.000 1.009 100 N HN 0.197 8.577 8.380 -0.000 0.000 0.601 101 A N 2.054 124.895 122.820 0.034 0.000 2.258 101 A HA -0.069 4.306 4.320 0.092 0.000 0.206 101 A C 1.317 178.920 177.584 0.032 0.000 1.222 101 A CA 0.361 52.416 52.037 0.032 0.000 0.822 101 A CB -0.364 18.657 19.000 0.036 0.000 0.804 101 A HN 0.760 8.910 8.150 -0.000 0.000 0.483 102 N N -0.344 118.374 118.700 0.029 0.000 2.327 102 N HA 0.189 4.984 4.740 0.092 0.000 0.231 102 N C 0.020 175.541 175.510 0.018 0.000 1.130 102 N CA 0.204 53.266 53.050 0.021 0.000 0.845 102 N CB -0.095 38.399 38.487 0.012 0.000 1.073 102 N HN 0.465 8.845 8.380 -0.000 0.000 0.496 103 K N -1.458 118.955 120.400 0.020 0.000 2.743 103 K HA 0.254 4.629 4.320 0.092 0.000 0.293 103 K C -2.847 173.763 176.600 0.018 0.000 0.874 103 K CA -0.874 55.424 56.287 0.019 0.000 0.675 103 K CB 0.750 33.262 32.500 0.020 0.000 1.317 103 K HN -0.091 8.159 8.250 -0.000 0.000 0.354 104 P HA 0.218 4.638 4.420 -0.000 0.000 0.342 104 P C 0.022 177.330 177.300 0.013 0.000 1.171 104 P CA -0.297 62.811 63.100 0.014 0.000 0.822 104 P CB 0.670 32.378 31.700 0.012 0.000 1.376 105 G N -0.485 108.322 108.800 0.011 0.000 2.687 105 G HA2 0.065 4.081 3.960 0.092 0.000 0.209 105 G HA3 0.065 4.081 3.960 0.092 0.000 0.209 105 G C 0.832 175.738 174.900 0.010 0.000 1.146 105 G CA 0.545 45.651 45.100 0.009 0.000 0.787 105 G HN 0.802 9.092 8.290 -0.000 0.000 0.532 106 A N 0.696 123.523 122.820 0.012 0.000 2.624 106 A HA 0.152 4.527 4.320 0.092 0.000 0.231 106 A C 0.844 178.436 177.584 0.014 0.000 1.034 106 A CA 0.061 52.106 52.037 0.013 0.000 0.754 106 A CB 0.303 19.313 19.000 0.016 0.000 0.953 106 A HN 0.447 8.597 8.150 -0.000 0.000 0.509 107 E N 0.373 120.580 120.200 0.013 0.000 2.641 107 E HA -0.008 4.397 4.350 0.092 0.000 0.272 107 E C 0.763 177.373 176.600 0.015 0.000 0.990 107 E CA 1.039 57.446 56.400 0.012 0.000 0.971 107 E CB 0.045 29.752 29.700 0.011 0.000 0.967 107 E HN 0.770 9.130 8.360 -0.000 0.000 0.464 108 A N 3.076 125.904 122.820 0.013 0.000 3.019 108 A HA 0.148 4.523 4.320 0.092 0.000 0.262 108 A C 0.246 177.843 177.584 0.021 0.000 1.509 108 A CA -0.335 51.713 52.037 0.018 0.000 1.159 108 A CB -0.718 18.288 19.000 0.012 0.000 1.042 108 A HN 0.434 8.584 8.150 -0.000 0.000 0.641 109 T N -2.131 112.437 114.554 0.024 0.000 2.928 109 T HA 0.249 4.654 4.350 0.092 0.000 0.284 109 T C 0.779 175.501 174.700 0.037 0.000 1.008 109 T CA -0.260 61.856 62.100 0.026 0.000 1.057 109 T CB 1.567 70.448 68.868 0.022 0.000 1.018 109 T HN 0.289 8.529 8.240 -0.000 0.000 0.493 110 D N 0.984 121.409 120.400 0.042 0.000 2.149 110 D HA -0.183 4.513 4.640 0.092 0.000 0.194 110 D C 1.754 178.086 176.300 0.054 0.000 1.001 110 D CA 1.671 55.704 54.000 0.054 0.000 0.849 110 D CB 0.022 40.854 40.800 0.053 0.000 0.939 110 D HN 0.756 9.126 8.370 -0.000 0.000 0.449 111 E N -0.169 120.057 120.200 0.044 0.000 2.035 111 E HA -0.229 4.176 4.350 0.092 0.000 0.204 111 E C 2.022 178.649 176.600 0.046 0.000 1.025 111 E CA 1.275 57.700 56.400 0.043 0.000 0.835 111 E CB -0.332 29.388 29.700 0.033 0.000 0.764 111 E HN 0.412 8.772 8.360 -0.000 0.000 0.457 112 N N 0.693 119.417 118.700 0.039 0.000 2.223 112 N HA -0.124 4.671 4.740 0.092 0.000 0.185 112 N C 1.778 177.315 175.510 0.044 0.000 1.016 112 N CA 0.635 53.708 53.050 0.037 0.000 0.863 112 N CB -0.204 38.302 38.487 0.030 0.000 0.983 112 N HN 0.002 8.382 8.380 -0.000 0.000 0.429 113 R N 1.369 121.900 120.500 0.051 0.000 2.280 113 R HA -0.147 4.249 4.340 0.092 0.000 0.209 113 R C 2.223 178.565 176.300 0.071 0.000 1.059 113 R CA 2.441 58.577 56.100 0.061 0.000 0.847 113 R CB -1.363 28.980 30.300 0.072 0.000 0.763 113 R HN 0.382 8.652 8.270 -0.000 0.000 0.452 114 T N -1.165 113.443 114.554 0.089 0.000 2.202 114 T HA -0.385 4.020 4.350 0.092 0.000 0.191 114 T C 1.604 176.362 174.700 0.098 0.000 1.646 114 T CA 2.502 64.668 62.100 0.111 0.000 0.997 114 T CB -0.851 68.091 68.868 0.123 0.000 0.802 114 T HN 0.494 8.734 8.240 -0.000 0.000 0.437 115 L N -2.241 119.031 121.223 0.081 0.000 5.140 115 L HA -0.174 4.221 4.340 0.092 0.000 0.053 115 L C -1.433 175.458 176.870 0.035 0.000 3.657 115 L CA 0.709 55.578 54.840 0.047 0.000 1.036 115 L CB -2.557 39.512 42.059 0.018 0.000 3.292 115 L HN 0.363 8.593 8.230 -0.000 0.000 1.093 116 P HA -0.342 4.078 4.420 -0.000 0.000 0.265 116 P C 0.130 177.445 177.300 0.025 0.000 1.233 116 P CA 2.748 65.723 63.100 -0.208 0.000 1.267 116 P CB -0.159 31.363 31.700 -0.298 0.000 0.691 117 A N -5.646 117.334 122.820 0.266 0.000 3.539 117 A HA 0.336 4.711 4.320 0.092 0.000 0.105 117 A C 0.424 178.382 177.584 0.625 0.000 1.305 117 A CA 0.788 53.042 52.037 0.362 0.000 1.242 117 A CB -0.729 18.411 19.000 0.233 0.000 0.927 117 A HN 0.360 8.510 8.150 -0.000 0.000 0.434 118 F N -1.736 118.391 119.950 0.296 0.000 1.097 118 F HA 0.078 4.660 4.527 0.091 0.000 0.350 118 F C 0.583 176.371 175.800 -0.020 0.000 0.509 118 F CA 1.338 59.297 58.000 -0.069 0.000 2.674 118 F CB -0.018 38.933 39.000 -0.083 0.000 3.597 118 F HN 0.494 8.794 8.300 -0.000 0.000 0.205 119 D N -1.565 118.990 120.400 0.259 0.000 1.702 119 D HA -0.096 4.599 4.640 0.092 0.000 0.239 119 D C 1.328 177.704 176.300 0.126 0.000 0.991 119 D CA 0.959 55.044 54.000 0.142 0.000 1.282 119 D CB -1.437 39.409 40.800 0.076 0.000 1.442 119 D HN 0.523 8.893 8.370 -0.000 0.000 0.729 120 G N 0.123 109.020 108.800 0.161 0.000 2.519 120 G HA2 0.329 4.344 3.960 0.092 0.000 0.161 120 G HA3 0.329 4.344 3.960 0.092 0.000 0.161 120 G C 0.317 175.257 174.900 0.067 0.000 1.671 120 G CA 1.633 46.791 45.100 0.095 0.000 1.028 120 G HN 0.234 8.524 8.290 -0.000 0.000 0.486 121 T N -1.035 113.528 114.554 0.015 0.000 2.865 121 T HA 0.525 4.930 4.350 0.092 0.000 0.294 121 T C -0.628 174.061 174.700 -0.017 0.000 1.119 121 T CA 0.621 62.729 62.100 0.013 0.000 1.007 121 T CB 1.483 70.356 68.868 0.008 0.000 1.225 121 T HN 1.117 9.357 8.240 -0.000 0.000 0.515 122 N N -0.783 117.925 118.700 0.013 0.000 5.255 122 N HA -0.152 4.643 4.740 0.092 0.000 0.377 122 N C 0.056 175.608 175.510 0.069 0.000 1.714 122 N CA 1.045 54.107 53.050 0.020 0.000 2.565 122 N CB -0.935 37.540 38.487 -0.021 0.000 0.532 122 N HN 0.586 8.966 8.380 -0.000 0.000 0.648 123 T N -0.905 113.699 114.554 0.083 0.000 3.016 123 T HA 0.357 4.762 4.350 0.092 0.000 0.271 123 T C 0.890 175.672 174.700 0.136 0.000 0.968 123 T CA 0.219 62.395 62.100 0.127 0.000 0.891 123 T CB 0.527 69.452 68.868 0.096 0.000 1.149 123 T HN 0.832 9.072 8.240 -0.000 0.000 0.524 124 G N 1.281 110.137 108.800 0.094 0.000 2.821 124 G HA2 0.470 4.485 3.960 0.092 0.000 0.289 124 G HA3 0.470 4.485 3.960 0.092 0.000 0.289 124 G C 0.195 175.149 174.900 0.090 0.000 0.771 124 G CA -0.017 45.129 45.100 0.077 0.000 1.908 124 G HN 0.429 8.719 8.290 -0.000 0.000 0.539 125 E N 0.376 120.648 120.200 0.121 0.000 1.532 125 E HA -0.079 4.326 4.350 0.092 0.000 0.234 125 E C -0.731 175.843 176.600 -0.044 0.000 1.061 125 E CA -0.417 56.026 56.400 0.071 0.000 1.424 125 E CB -0.128 29.696 29.700 0.206 0.000 4.305 125 E HN 0.416 8.776 8.360 -0.000 0.000 0.816 126 W N 2.457 123.868 121.300 0.185 0.000 2.433 126 W HA 0.609 5.324 4.660 0.091 0.000 0.315 126 W C -0.598 176.000 176.519 0.131 0.000 1.087 126 W CA -0.449 57.017 57.345 0.202 0.000 1.205 126 W CB 1.262 30.915 29.460 0.322 0.000 1.288 126 W HN 0.098 8.278 8.180 -0.000 0.000 0.504 127 L N 5.257 126.633 121.223 0.255 0.000 2.446 127 L HA 0.670 5.065 4.340 0.092 0.000 0.268 127 L C -1.582 175.407 176.870 0.198 0.000 0.975 127 L CA -1.071 53.890 54.840 0.202 0.000 0.848 127 L CB 1.244 43.411 42.059 0.181 0.000 1.225 127 L HN 0.155 8.385 8.230 -0.000 0.000 0.410 128 V N 6.386 126.392 119.914 0.154 0.000 2.495 128 V HA 0.674 4.849 4.120 0.092 0.000 0.298 128 V C 0.051 176.195 176.094 0.082 0.000 1.031 128 V CA -0.336 62.039 62.300 0.125 0.000 0.871 128 V CB 1.799 33.670 31.823 0.081 0.000 0.988 128 V HN 0.871 9.061 8.190 -0.000 0.000 0.432 129 M N 4.248 123.896 119.600 0.081 0.000 2.631 129 M HA 0.536 5.071 4.480 0.092 0.000 0.288 129 M C -1.228 175.101 176.300 0.048 0.000 1.260 129 M CA -0.930 54.379 55.300 0.015 0.000 0.842 129 M CB 2.283 34.802 32.600 -0.136 0.000 1.743 129 M HN 0.350 8.640 8.290 -0.000 0.000 0.461 130 L N 2.201 123.435 121.223 0.019 0.000 2.454 130 L HA 0.330 4.725 4.340 0.092 0.000 0.284 130 L C 0.552 177.383 176.870 -0.065 0.000 1.139 130 L CA 0.534 55.400 54.840 0.043 0.000 0.911 130 L CB -0.070 42.005 42.059 0.027 0.000 1.262 130 L HN 0.813 9.043 8.230 -0.000 0.000 0.453 131 G N 4.247 113.038 108.800 -0.015 0.000 2.472 131 G HA2 0.357 4.372 3.960 0.092 0.000 0.291 131 G HA3 0.357 4.372 3.960 0.092 0.000 0.291 131 G C -0.680 174.120 174.900 -0.167 0.000 0.898 131 G CA 0.383 45.381 45.100 -0.169 0.000 1.645 131 G HN 0.677 8.967 8.290 -0.000 0.000 0.459 132 V N 3.645 123.404 119.914 -0.258 0.000 2.863 132 V HA 0.172 4.347 4.120 0.092 0.000 0.259 132 V C 0.270 176.289 176.094 -0.124 0.000 1.683 132 V CA -1.306 60.904 62.300 -0.150 0.000 0.892 132 V CB 0.201 31.980 31.823 -0.073 0.000 1.222 132 V HN 0.930 9.120 8.190 -0.000 0.000 0.469 133 C N 4.964 124.223 119.300 -0.068 0.000 2.746 133 C HA 0.321 4.836 4.460 0.092 0.000 0.403 133 C C 2.288 177.355 174.990 0.129 0.000 1.270 133 C CA 1.100 60.178 59.018 0.100 0.000 1.978 133 C CB 0.858 28.700 27.740 0.170 0.000 2.724 133 C HN 1.264 9.494 8.230 -0.000 0.000 0.678 134 T N -0.211 114.474 114.554 0.218 0.000 3.037 134 T HA -0.029 4.376 4.350 0.092 0.000 0.252 134 T C 1.767 176.504 174.700 0.062 0.000 1.073 134 T CA 1.265 63.427 62.100 0.103 0.000 1.091 134 T CB -0.590 68.328 68.868 0.084 0.000 0.935 134 T HN 0.907 9.147 8.240 -0.000 0.000 0.488 135 H N 1.321 120.415 119.070 0.040 0.000 2.321 135 H HA 0.130 4.731 4.556 0.074 0.000 0.300 135 H C 1.280 176.599 175.328 -0.014 0.000 1.087 135 H CA 1.450 57.495 56.048 -0.004 0.000 1.319 135 H CB 0.028 29.792 29.762 0.003 0.000 1.379 135 H HN 0.361 8.641 8.280 -0.000 0.000 0.501 136 L N -1.462 119.658 121.223 -0.173 0.000 3.888 136 L HA 0.184 4.579 4.340 0.092 0.000 0.369 136 L C 0.800 177.652 176.870 -0.030 0.000 1.200 136 L CA 0.459 55.186 54.840 -0.189 0.000 1.268 136 L CB 1.474 43.397 42.059 -0.228 0.000 1.573 136 L HN 0.528 8.758 8.230 -0.000 0.000 0.632 137 G N 0.382 109.193 108.800 0.017 0.000 2.140 137 G HA2 -0.212 3.803 3.960 0.092 0.000 0.211 137 G HA3 -0.212 3.803 3.960 0.092 0.000 0.211 137 G C 0.002 174.916 174.900 0.024 0.000 1.013 137 G CA -0.069 45.037 45.100 0.010 0.000 0.705 137 G HN 0.250 8.540 8.290 -0.000 0.000 0.508 138 c N 0.299 118.931 118.600 0.054 0.000 2.405 138 c HA 0.596 5.222 4.570 0.092 0.000 0.365 138 c C 1.300 175.392 174.090 0.003 0.000 1.233 138 c CA -0.757 55.599 56.329 0.046 0.000 2.230 138 c CB 1.304 43.858 42.510 0.074 0.000 2.443 138 c HN 0.470 8.700 8.230 -0.000 0.000 0.556 139 V N 5.419 125.334 119.914 0.003 0.000 2.425 139 V HA 0.088 4.263 4.120 0.092 0.000 0.276 139 V C -1.890 174.175 176.094 -0.047 0.000 1.017 139 V CA -0.554 61.721 62.300 -0.042 0.000 1.062 139 V CB -0.267 31.584 31.823 0.047 0.000 0.997 139 V HN 0.786 8.976 8.190 -0.000 0.000 0.476 140 P HA -0.001 4.419 4.420 -0.000 0.000 0.261 140 P C 0.244 177.638 177.300 0.158 0.000 1.183 140 P CA 0.213 63.249 63.100 -0.106 0.000 0.761 140 P CB 0.280 31.689 31.700 -0.485 0.000 0.785 141 M N 2.794 122.567 119.600 0.288 0.000 2.284 141 M HA 0.055 4.591 4.480 0.092 0.000 0.351 141 M C 1.247 177.781 176.300 0.390 0.000 1.443 141 M CA 0.824 56.314 55.300 0.318 0.000 1.031 141 M CB 0.184 32.977 32.600 0.321 0.000 1.893 141 M HN 0.487 8.777 8.290 -0.000 0.000 0.456 142 G N 2.738 111.770 108.800 0.387 0.000 2.508 142 G HA2 0.403 4.418 3.960 0.092 0.000 0.278 142 G HA3 0.403 4.418 3.960 0.092 0.000 0.278 142 G C -0.204 174.591 174.900 -0.174 0.000 1.389 142 G CA -0.228 45.022 45.100 0.250 0.000 1.050 142 G HN 0.755 9.045 8.290 -0.000 0.000 0.522 143 D N -1.546 118.687 120.400 -0.280 0.000 3.507 143 D HA -0.172 4.523 4.640 0.092 0.000 0.195 143 D C 1.165 177.206 176.300 -0.432 0.000 1.323 143 D CA 1.475 55.299 54.000 -0.293 0.000 1.106 143 D CB -0.357 40.361 40.800 -0.137 0.000 0.619 143 D HN 0.457 8.827 8.370 -0.000 0.000 0.732 144 K N 0.284 120.525 120.400 -0.265 0.000 2.476 144 K HA 0.223 4.599 4.320 0.092 0.000 0.196 144 K C 0.031 176.506 176.600 -0.208 0.000 1.025 144 K CA 0.395 56.542 56.287 -0.232 0.000 1.138 144 K CB 0.040 32.449 32.500 -0.151 0.000 0.860 144 K HN 0.405 8.655 8.250 -0.000 0.000 0.515 145 S N 0.621 116.188 115.700 -0.222 0.000 2.559 145 S HA 0.290 4.815 4.470 0.092 0.000 0.282 145 S C 0.807 175.321 174.600 -0.143 0.000 1.336 145 S CA -0.086 58.011 58.200 -0.172 0.000 1.037 145 S CB 0.501 63.643 63.200 -0.097 0.000 0.853 145 S HN 0.500 8.810 8.310 -0.000 0.000 0.523 146 G N 1.657 110.324 108.800 -0.222 0.000 2.707 146 G HA2 -0.114 3.901 3.960 0.092 0.000 0.686 146 G HA3 -0.114 3.901 3.960 0.092 0.000 0.686 146 G C -0.494 174.123 174.900 -0.472 0.000 1.315 146 G CA -0.173 44.620 45.100 -0.511 0.000 0.832 146 G HN 0.701 8.991 8.290 -0.000 0.000 0.573 147 D N -0.098 119.913 120.400 -0.649 0.000 2.358 147 D HA 0.283 4.979 4.640 0.092 0.000 0.241 147 D C 0.377 176.088 176.300 -0.982 0.000 1.094 147 D CA 1.279 54.850 54.000 -0.715 0.000 0.907 147 D CB -0.293 40.077 40.800 -0.716 0.000 0.893 147 D HN 0.368 8.738 8.370 -0.000 0.000 0.528 148 F N -0.653 119.296 119.950 -0.002 0.000 2.831 148 F HA 0.369 4.950 4.527 0.089 0.000 0.346 148 F C 0.915 176.697 175.800 -0.031 0.000 1.224 148 F CA -1.683 56.325 58.000 0.013 0.000 1.048 148 F CB 0.811 39.851 39.000 0.066 0.000 1.339 148 F HN -0.249 8.051 8.300 -0.000 0.000 0.514 149 G N 1.207 110.041 108.800 0.057 0.000 2.168 149 G HA2 0.336 4.351 3.960 0.092 0.000 0.240 149 G HA3 0.336 4.351 3.960 0.092 0.000 0.240 149 G C 0.594 175.441 174.900 -0.089 0.000 1.080 149 G CA 0.802 45.864 45.100 -0.064 0.000 0.877 149 G HN 1.337 9.627 8.290 -0.000 0.000 0.446 150 G N 1.891 110.492 108.800 -0.332 0.000 1.838 150 G HA2 0.016 4.032 3.960 0.092 0.000 0.067 150 G HA3 0.016 4.032 3.960 0.092 0.000 0.067 150 G C -0.563 173.782 174.900 -0.925 0.000 1.666 150 G CA -0.115 44.652 45.100 -0.556 0.000 1.135 150 G HN 0.836 9.126 8.290 -0.000 0.000 0.333 151 W N -0.295 121.074 121.300 0.115 0.000 3.296 151 W HA 0.624 5.338 4.660 0.089 0.000 0.314 151 W C -1.747 174.891 176.519 0.198 0.000 1.238 151 W CA -1.056 56.324 57.345 0.058 0.000 1.193 151 W CB 1.779 31.111 29.460 -0.212 0.000 1.383 151 W HN 0.431 8.611 8.180 -0.000 0.000 0.545 152 F N 3.314 123.380 119.950 0.192 0.000 2.460 152 F HA 0.497 5.079 4.527 0.091 0.000 0.341 152 F C -0.395 175.542 175.800 0.228 0.000 1.130 152 F CA -0.604 57.509 58.000 0.189 0.000 0.962 152 F CB 0.633 39.622 39.000 -0.018 0.000 1.171 152 F HN 0.238 8.538 8.300 -0.000 0.000 0.436 153 C N 10.284 129.541 119.300 -0.072 0.000 2.555 153 C HA 0.313 4.828 4.460 0.092 0.000 0.385 153 C C -0.775 174.057 174.990 -0.263 0.000 1.296 153 C CA -1.611 57.387 59.018 -0.034 0.000 1.757 153 C CB 0.270 28.057 27.740 0.078 0.000 2.445 153 C HN 0.809 9.039 8.230 -0.000 0.000 0.571 154 P HA -0.048 4.372 4.420 -0.000 0.000 0.221 154 P C 1.561 178.886 177.300 0.043 0.000 1.150 154 P CA 1.422 64.724 63.100 0.337 0.000 0.800 154 P CB -0.068 31.806 31.700 0.289 0.000 0.787 155 c N -0.949 117.602 118.600 -0.082 0.000 2.432 155 c HA -0.082 4.543 4.570 0.092 0.000 0.277 155 c C 2.180 175.803 174.090 -0.777 0.000 1.249 155 c CA 1.356 57.472 56.329 -0.355 0.000 1.725 155 c CB -2.036 40.348 42.510 -0.210 0.000 2.028 155 c HN 0.399 8.629 8.230 -0.000 0.000 0.477 156 H N -2.709 116.318 119.070 -0.073 0.000 3.540 156 H HA 0.343 4.914 4.556 0.025 0.000 0.259 156 H C 1.344 176.534 175.328 -0.231 0.000 1.197 156 H CA 0.783 56.737 56.048 -0.157 0.000 1.136 156 H CB 0.511 30.097 29.762 -0.292 0.000 1.605 156 H HN 0.446 8.726 8.280 -0.000 0.000 0.657 157 G N 0.534 109.185 108.800 -0.248 0.000 3.180 157 G HA2 -0.286 3.729 3.960 0.092 0.000 0.197 157 G HA3 -0.286 3.729 3.960 0.092 0.000 0.197 157 G C 0.226 174.896 174.900 -0.383 0.000 1.149 157 G CA -0.302 44.585 45.100 -0.354 0.000 0.847 157 G HN 0.526 8.816 8.290 -0.000 0.000 0.469 158 S N 1.385 116.964 115.700 -0.203 0.000 3.799 158 S HA 0.028 4.553 4.470 0.092 0.000 0.454 158 S C -0.153 174.550 174.600 0.172 0.000 1.130 158 S CA 0.923 59.076 58.200 -0.080 0.000 0.966 158 S CB -0.536 62.668 63.200 0.007 0.000 0.680 158 S HN 0.679 8.989 8.310 -0.000 0.000 0.496 159 H N 2.287 121.395 119.070 0.065 0.000 2.587 159 H HA 0.351 4.961 4.556 0.089 0.000 0.325 159 H C -0.788 174.757 175.328 0.362 0.000 1.012 159 H CA -0.800 55.429 56.048 0.302 0.000 1.213 159 H CB 0.761 30.735 29.762 0.355 0.000 1.431 159 H HN 0.685 8.965 8.280 -0.000 0.000 0.492 160 Y N 2.153 122.671 120.300 0.363 0.000 2.361 160 Y HA 0.051 4.652 4.550 0.085 0.000 0.332 160 Y C 0.920 177.018 175.900 0.331 0.000 1.101 160 Y CA -1.252 57.024 58.100 0.293 0.000 1.137 160 Y CB 1.033 39.663 38.460 0.283 0.000 1.207 160 Y HN 0.700 8.980 8.280 -0.000 0.000 0.463 161 D N 0.330 120.947 120.400 0.361 0.000 2.325 161 D HA -0.063 4.632 4.640 0.092 0.000 0.262 161 D C 1.458 177.933 176.300 0.292 0.000 1.263 161 D CA 0.240 54.394 54.000 0.258 0.000 1.020 161 D CB 0.500 41.336 40.800 0.059 0.000 1.117 161 D HN 0.539 8.909 8.370 -0.000 0.000 0.545 162 S N -0.585 115.228 115.700 0.188 0.000 2.377 162 S HA -0.221 4.304 4.470 0.092 0.000 0.224 162 S C 1.932 176.721 174.600 0.314 0.000 1.042 162 S CA 2.072 60.375 58.200 0.171 0.000 1.086 162 S CB -1.124 62.138 63.200 0.104 0.000 0.995 162 S HN 0.679 8.989 8.310 -0.000 0.000 0.428 163 A N 0.094 123.053 122.820 0.232 0.000 2.253 163 A HA 0.373 4.748 4.320 0.092 0.000 0.203 163 A C 1.738 179.477 177.584 0.258 0.000 1.272 163 A CA 1.206 53.374 52.037 0.220 0.000 0.847 163 A CB -1.837 17.244 19.000 0.135 0.000 0.772 163 A HN 1.574 9.724 8.150 -0.000 0.000 0.494 164 G N -0.546 108.504 108.800 0.417 0.000 2.200 164 G HA2 -0.360 3.655 3.960 0.092 0.000 0.268 164 G HA3 -0.360 3.655 3.960 0.092 0.000 0.268 164 G C 0.463 175.591 174.900 0.380 0.000 0.986 164 G CA 0.661 45.994 45.100 0.388 0.000 0.677 164 G HN 0.753 9.043 8.290 -0.000 0.000 0.532 165 R N -0.544 120.109 120.500 0.254 0.000 2.623 165 R HA 0.323 4.719 4.340 0.092 0.000 0.271 165 R C 0.680 177.050 176.300 0.117 0.000 1.043 165 R CA -0.597 55.591 56.100 0.148 0.000 1.083 165 R CB 0.519 30.861 30.300 0.070 0.000 0.974 165 R HN 0.230 8.500 8.270 -0.000 0.000 0.436 166 I N 2.616 123.167 120.570 -0.031 0.000 2.648 166 I HA -0.005 4.220 4.170 0.092 0.000 0.284 166 I C 0.219 176.226 176.117 -0.183 0.000 1.153 166 I CA 0.792 61.930 61.300 -0.269 0.000 1.426 166 I CB 0.122 37.919 38.000 -0.338 0.000 1.381 166 I HN 0.531 8.741 8.210 -0.000 0.000 0.571 167 R N 4.088 124.482 120.500 -0.176 0.000 2.781 167 R HA 0.319 4.714 4.340 0.092 0.000 0.268 167 R C -0.886 175.434 176.300 0.034 0.000 1.047 167 R CA -1.590 54.456 56.100 -0.089 0.000 0.925 167 R CB 0.524 30.690 30.300 -0.223 0.000 1.246 167 R HN 0.403 8.673 8.270 -0.000 0.000 0.456 168 K N 0.914 121.398 120.400 0.139 0.000 4.483 168 K HA -0.235 4.140 4.320 0.092 0.000 0.487 168 K C 0.226 176.755 176.600 -0.119 0.000 1.159 168 K CA 1.767 58.089 56.287 0.057 0.000 1.030 168 K CB -1.099 31.453 32.500 0.088 0.000 1.904 168 K HN 0.974 9.224 8.250 -0.000 0.000 0.278 169 G N 3.130 111.856 108.800 -0.124 0.000 2.587 169 G HA2 -0.239 3.777 3.960 0.092 0.000 0.212 169 G HA3 -0.239 3.777 3.960 0.092 0.000 0.212 169 G C -1.383 173.430 174.900 -0.144 0.000 1.327 169 G CA -0.531 44.477 45.100 -0.154 0.000 0.898 169 G HN 0.529 8.819 8.290 -0.000 0.000 0.551 170 P HA 0.051 4.471 4.420 -0.000 0.000 0.205 170 P C 1.573 178.838 177.300 -0.058 0.000 1.046 170 P CA 2.703 65.696 63.100 -0.177 0.000 0.968 170 P CB -0.565 30.836 31.700 -0.498 0.000 0.753 171 A N -0.071 122.737 122.820 -0.021 0.000 2.602 171 A HA -0.114 4.261 4.320 0.092 0.000 0.256 171 A C -0.876 176.666 177.584 -0.069 0.000 0.956 171 A CA 0.603 52.630 52.037 -0.017 0.000 0.878 171 A CB -0.892 18.006 19.000 -0.169 0.000 0.834 171 A HN 0.306 8.456 8.150 -0.000 0.000 0.473 172 P HA 0.013 4.433 4.420 -0.000 0.000 0.220 172 P C 0.227 177.494 177.300 -0.054 0.000 1.154 172 P CA 0.862 63.938 63.100 -0.040 0.000 0.837 172 P CB 0.274 31.963 31.700 -0.019 0.000 0.815 173 R N -0.491 119.980 120.500 -0.049 0.000 2.888 173 R HA 0.418 4.813 4.340 0.092 0.000 0.266 173 R C -0.176 176.103 176.300 -0.035 0.000 1.020 173 R CA -0.906 55.172 56.100 -0.037 0.000 0.963 173 R CB 0.334 30.628 30.300 -0.009 0.000 1.197 173 R HN -0.169 8.101 8.270 -0.000 0.000 0.481 174 N N 0.670 119.367 118.700 -0.005 0.000 2.260 174 N HA 0.076 4.871 4.740 0.092 0.000 0.230 174 N C 0.093 175.693 175.510 0.150 0.000 1.323 174 N CA -0.184 52.907 53.050 0.068 0.000 0.897 174 N CB 0.350 38.879 38.487 0.070 0.000 1.146 174 N HN 0.384 8.764 8.380 -0.000 0.000 0.460 175 L N 0.889 122.250 121.223 0.230 0.000 2.416 175 L HA 0.049 4.444 4.340 0.092 0.000 0.272 175 L C 0.404 177.290 176.870 0.026 0.000 1.161 175 L CA -0.112 54.786 54.840 0.097 0.000 0.845 175 L CB 0.199 42.198 42.059 -0.101 0.000 1.119 175 L HN 0.380 8.610 8.230 -0.000 0.000 0.464 176 D N 3.077 123.482 120.400 0.009 0.000 2.390 176 D HA 0.215 4.910 4.640 0.092 0.000 0.236 176 D C -0.300 176.010 176.300 0.017 0.000 1.189 176 D CA 0.800 54.809 54.000 0.015 0.000 0.887 176 D CB 0.595 41.402 40.800 0.012 0.000 1.198 176 D HN 0.245 8.615 8.370 -0.000 0.000 0.444 177 I N 2.308 122.900 120.570 0.037 0.000 2.583 177 I HA 0.207 4.432 4.170 0.092 0.000 0.276 177 I C -2.270 173.887 176.117 0.067 0.000 1.089 177 I CA -1.927 59.402 61.300 0.048 0.000 1.103 177 I CB 1.519 39.542 38.000 0.040 0.000 1.209 177 I HN 0.140 8.350 8.210 -0.000 0.000 0.484 178 P HA -0.106 4.314 4.420 -0.000 0.000 0.270 178 P C 0.037 177.405 177.300 0.113 0.000 1.221 178 P CA 0.082 63.289 63.100 0.179 0.000 0.788 178 P CB 1.529 33.466 31.700 0.395 0.000 0.904 179 V N 1.226 121.217 119.914 0.129 0.000 2.421 179 V HA 0.403 4.579 4.120 0.092 0.000 0.271 179 V C -0.099 175.992 176.094 -0.006 0.000 1.031 179 V CA 0.537 62.874 62.300 0.061 0.000 1.032 179 V CB -1.191 30.678 31.823 0.076 0.000 1.009 179 V HN 0.878 9.068 8.190 -0.000 0.000 0.477 180 A N 5.449 128.235 122.820 -0.056 0.000 2.565 180 A HA 0.926 5.301 4.320 0.092 0.000 0.298 180 A C -0.687 176.803 177.584 -0.155 0.000 1.062 180 A CA -0.038 51.921 52.037 -0.130 0.000 0.723 180 A CB 1.513 20.395 19.000 -0.198 0.000 1.282 180 A HN 2.171 10.321 8.150 -0.000 0.000 0.400 181 A N 0.846 123.573 122.820 -0.155 0.000 2.572 181 A HA 0.794 5.169 4.320 0.092 0.000 0.295 181 A C -1.227 176.278 177.584 -0.132 0.000 1.072 181 A CA -0.633 51.286 52.037 -0.197 0.000 0.691 181 A CB 0.552 19.500 19.000 -0.087 0.000 1.291 181 A HN 1.100 9.250 8.150 -0.000 0.000 0.404 182 F N 0.925 120.822 119.950 -0.089 0.000 2.578 182 F HA 0.246 4.828 4.527 0.092 0.000 0.381 182 F C 1.118 176.850 175.800 -0.112 0.000 1.069 182 F CA -0.009 57.903 58.000 -0.146 0.000 1.231 182 F CB 0.845 39.715 39.000 -0.216 0.000 1.086 182 F HN 0.158 8.458 8.300 -0.000 0.000 0.564 183 V N 3.182 123.148 119.914 0.087 0.000 3.095 183 V HA 0.157 4.332 4.120 0.092 0.000 0.388 183 V C -0.838 175.211 176.094 -0.075 0.000 1.286 183 V CA -0.121 62.171 62.300 -0.013 0.000 1.406 183 V CB -1.945 29.833 31.823 -0.076 0.000 1.363 183 V HN 0.894 9.084 8.190 -0.000 0.000 0.532 184 D N 0.079 120.439 120.400 -0.066 0.000 7.046 184 D HA -0.069 4.627 4.640 0.092 0.000 0.240 184 D C 0.530 176.653 176.300 -0.295 0.000 1.997 184 D CA 0.390 54.303 54.000 -0.144 0.000 1.843 184 D CB -0.234 40.496 40.800 -0.116 0.000 0.699 184 D HN 0.376 8.746 8.370 -0.000 0.000 0.406 185 E N -0.509 119.448 120.200 -0.406 0.000 4.088 185 E HA -0.310 4.095 4.350 0.092 0.000 0.202 185 E C 0.509 176.505 176.600 -1.008 0.000 1.260 185 E CA 2.270 58.279 56.400 -0.652 0.000 2.208 185 E CB -0.877 28.590 29.700 -0.389 0.000 1.870 185 E HN 0.412 8.772 8.360 -0.000 0.000 0.304 186 T N 0.703 114.852 114.554 -0.675 0.000 3.410 186 T HA 0.519 4.924 4.350 0.092 0.000 0.328 186 T C -1.556 172.902 174.700 -0.403 0.000 1.567 186 T CA 0.493 62.205 62.100 -0.647 0.000 1.626 186 T CB -0.046 68.561 68.868 -0.436 0.000 0.939 186 T HN 0.370 8.610 8.240 -0.000 0.000 0.656 187 T N 0.865 115.190 114.554 -0.382 0.000 4.266 187 T HA 0.408 4.813 4.350 0.092 0.000 0.368 187 T C -0.854 173.896 174.700 0.082 0.000 0.992 187 T CA -0.630 61.389 62.100 -0.135 0.000 1.044 187 T CB 0.261 69.029 68.868 -0.166 0.000 1.150 187 T HN 0.370 8.610 8.240 -0.000 0.000 0.470 188 I N 2.328 123.006 120.570 0.181 0.000 2.392 188 I HA 0.566 4.791 4.170 0.092 0.000 0.295 188 I C -0.130 176.049 176.117 0.103 0.000 0.985 188 I CA -0.881 60.538 61.300 0.200 0.000 1.221 188 I CB 1.241 39.294 38.000 0.088 0.000 1.366 188 I HN 0.658 8.868 8.210 -0.000 0.000 0.467 189 K N 8.414 128.846 120.400 0.054 0.000 2.316 189 K HA 0.428 4.803 4.320 0.092 0.000 0.267 189 K C -1.523 174.974 176.600 -0.171 0.000 1.025 189 K CA -0.575 55.748 56.287 0.060 0.000 0.896 189 K CB 0.784 33.389 32.500 0.175 0.000 1.124 189 K HN 0.639 8.889 8.250 -0.000 0.000 0.451 190 L N 4.678 125.671 121.223 -0.384 0.000 2.278 190 L HA 0.466 4.861 4.340 0.092 0.000 0.287 190 L C 0.560 177.070 176.870 -0.600 0.000 1.072 190 L CA 0.186 54.600 54.840 -0.710 0.000 0.819 190 L CB 0.948 42.201 42.059 -1.344 0.000 1.176 190 L HN 1.050 9.280 8.230 -0.000 0.000 0.435 191 G N 0.000 108.631 108.800 -0.282 0.000 5.446 191 G HA2 0.000 4.015 3.960 0.092 0.000 0.244 191 G HA3 0.000 4.015 3.960 0.092 0.000 0.244 191 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 191 G HN 0.000 8.290 8.290 -0.000 0.000 0.925