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 2vd8_1_B DATA FIRST_RESID 4 DATA SEQUENCE APFYRDTWVE VDLDAIYNNV THIXEFIPSD VEIFAVVXGN AYGHDYVPVA DATA SEQUENCE XIALEAGATR LAVAFLDEAL VLRRAGITAP ILVLGPSPPR DINVAAENDV DATA SEQUENCE ALTVFQXEWV DEAIXLWDGS STMXYHINFD SGMGRIGIRE RXELXGFLXS DATA SEQUENCE LEGAPFLELE GVYTHFATAD EVETSYFDXQ YNTFLEQLSW LXEFGVDPXF DATA SEQUENCE VHTANSAATL RFQGITFNAV RIGIAMYGLS PSVEIRPFLP FXLEPALSLH DATA SEQUENCE TXVAHIKQVI XGDGISYNVT YRTXTEEWIA TVAIGYADGW LRRLQGFEVL DATA SEQUENCE VNGXRVPIVG RVTMDQFMIH LPCEVPLGTX VTLIGRQGDE YISATEVAEY DATA SEQUENCE SGTINYEIIT TISFRVPRIF IRNGXVVEVI NYLNDI 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.612 177.584 0.046 0.000 1.274 4 A CA 0.000 52.084 52.037 0.079 0.000 0.836 4 A CB 0.000 19.035 19.000 0.058 0.000 0.831 5 P HA 0.587 nan 4.420 nan 0.000 0.274 5 P C -0.885 176.268 177.300 -0.245 0.000 1.237 5 P CA 0.266 63.205 63.100 -0.268 0.000 0.793 5 P CB 0.389 31.907 31.700 -0.303 0.000 0.977 6 F N -1.715 117.872 119.950 -0.604 0.000 2.631 6 F HA 0.515 5.042 4.527 0.001 0.000 0.308 6 F C -0.894 174.519 175.800 -0.644 0.000 1.097 6 F CA -1.037 56.665 58.000 -0.497 0.000 0.952 6 F CB 1.012 39.891 39.000 -0.201 0.000 1.307 6 F HN 0.161 nan 8.300 nan 0.000 0.450 7 Y N 0.696 121.082 120.300 0.144 0.000 2.719 7 Y HA 0.426 4.977 4.550 0.001 0.000 0.251 7 Y C 0.225 176.181 175.900 0.094 0.000 1.159 7 Y CA -0.572 57.547 58.100 0.033 0.000 1.166 7 Y CB 0.798 39.269 38.460 0.018 0.000 1.219 7 Y HN 0.638 nan 8.280 nan 0.000 0.551 8 R N 0.404 121.084 120.500 0.301 0.000 2.628 8 R HA 0.282 4.622 4.340 0.000 0.000 0.288 8 R C -1.297 175.195 176.300 0.321 0.000 0.980 8 R CA -0.586 55.656 56.100 0.238 0.000 0.891 8 R CB 1.050 31.460 30.300 0.183 0.000 1.188 8 R HN -0.034 nan 8.270 nan 0.000 0.450 9 D N 2.924 123.473 120.400 0.249 0.000 2.994 9 D HA 0.151 4.792 4.640 0.000 0.000 0.240 9 D C -0.933 175.640 176.300 0.455 0.000 1.195 9 D CA 0.537 54.741 54.000 0.341 0.000 0.957 9 D CB 0.780 41.711 40.800 0.218 0.000 1.105 9 D HN 0.362 nan 8.370 nan 0.000 0.477 10 T N 0.884 115.689 114.554 0.419 0.000 2.928 10 T HA 0.547 4.897 4.350 0.000 0.000 0.296 10 T C -0.843 173.998 174.700 0.235 0.000 1.000 10 T CA -0.878 61.364 62.100 0.237 0.000 0.989 10 T CB 1.220 70.109 68.868 0.036 0.000 1.005 10 T HN 0.335 nan 8.240 nan 0.000 0.442 11 W N 1.487 122.675 121.300 -0.187 0.000 3.146 11 W HA 0.740 5.400 4.660 -0.000 0.000 0.319 11 W C -2.320 174.072 176.519 -0.213 0.000 1.258 11 W CA -1.173 55.996 57.345 -0.293 0.000 1.189 11 W CB 0.507 29.720 29.460 -0.411 0.000 1.412 11 W HN 0.411 nan 8.180 nan 0.000 0.567 12 V N 2.456 122.258 119.914 -0.187 0.000 2.481 12 V HA 0.323 4.444 4.120 0.000 0.000 0.286 12 V C -0.248 175.771 176.094 -0.125 0.000 1.042 12 V CA -0.570 61.572 62.300 -0.263 0.000 0.928 12 V CB 1.323 32.978 31.823 -0.280 0.000 0.986 12 V HN 0.607 nan 8.190 nan 0.000 0.462 13 E N 2.757 122.900 120.200 -0.095 0.000 2.151 13 E HA 0.535 4.885 4.350 0.000 0.000 0.275 13 E C -1.359 175.168 176.600 -0.121 0.000 0.936 13 E CA -0.483 55.902 56.400 -0.025 0.000 0.777 13 E CB 2.231 32.030 29.700 0.166 0.000 1.108 13 E HN 0.447 nan 8.360 nan 0.000 0.401 14 V N 3.470 123.255 119.914 -0.214 0.000 2.357 14 V HA 0.099 4.220 4.120 0.000 0.000 0.284 14 V C -0.383 175.760 176.094 0.082 0.000 1.018 14 V CA -0.771 61.494 62.300 -0.058 0.000 0.841 14 V CB 1.517 33.296 31.823 -0.073 0.000 0.991 14 V HN 0.631 nan 8.190 nan 0.000 0.437 15 D N 4.394 124.875 120.400 0.134 0.000 2.365 15 D HA 0.251 4.892 4.640 0.000 0.000 0.237 15 D C 0.948 177.345 176.300 0.163 0.000 1.190 15 D CA -0.056 54.025 54.000 0.135 0.000 0.867 15 D CB 1.345 42.215 40.800 0.118 0.000 1.050 15 D HN 0.434 nan 8.370 nan 0.000 0.491 16 L N 2.721 124.047 121.223 0.172 0.000 2.201 16 L HA -0.103 4.237 4.340 0.000 0.000 0.212 16 L C 1.542 178.487 176.870 0.126 0.000 1.105 16 L CA 0.573 55.512 54.840 0.165 0.000 0.775 16 L CB -0.062 42.090 42.059 0.156 0.000 0.913 16 L HN 0.317 nan 8.230 nan 0.000 0.440 17 D N 0.651 121.105 120.400 0.089 0.000 2.117 17 D HA -0.177 4.464 4.640 0.000 0.000 0.197 17 D C 2.270 178.631 176.300 0.102 0.000 0.987 17 D CA 1.545 55.587 54.000 0.070 0.000 0.829 17 D CB -0.062 40.760 40.800 0.036 0.000 0.961 17 D HN 0.311 nan 8.370 nan 0.000 0.460 18 A N 0.869 123.745 122.820 0.094 0.000 1.877 18 A HA -0.151 4.170 4.320 0.000 0.000 0.216 18 A C 2.404 180.016 177.584 0.047 0.000 1.186 18 A CA 1.028 53.111 52.037 0.078 0.000 0.620 18 A CB -0.755 18.306 19.000 0.101 0.000 0.822 18 A HN 0.198 nan 8.150 nan 0.000 0.443 19 I N -2.170 118.435 120.570 0.058 0.000 2.179 19 I HA -0.271 3.899 4.170 0.000 0.000 0.242 19 I C 2.490 178.585 176.117 -0.036 0.000 1.088 19 I CA 1.885 63.173 61.300 -0.018 0.000 1.357 19 I CB -0.541 37.453 38.000 -0.010 0.000 1.051 19 I HN 0.527 nan 8.210 nan 0.000 0.409 20 Y N 2.485 122.736 120.300 -0.082 0.000 2.128 20 Y HA -0.323 4.233 4.550 0.009 0.000 0.284 20 Y C 2.449 178.242 175.900 -0.178 0.000 1.154 20 Y CA 1.972 60.011 58.100 -0.103 0.000 1.149 20 Y CB -0.252 38.167 38.460 -0.069 0.000 0.976 20 Y HN 0.209 nan 8.280 nan 0.000 0.505 21 N N 0.428 119.110 118.700 -0.031 0.000 2.142 21 N HA -0.179 4.561 4.740 0.000 0.000 0.186 21 N C 1.360 176.494 175.510 -0.626 0.000 1.023 21 N CA 1.400 54.238 53.050 -0.352 0.000 0.852 21 N CB -0.632 37.731 38.487 -0.207 0.000 0.998 21 N HN 0.462 nan 8.380 nan 0.000 0.424 22 N N 0.698 119.238 118.700 -0.268 0.000 2.084 22 N HA -0.083 4.657 4.740 0.000 0.000 0.190 22 N C 1.858 177.276 175.510 -0.153 0.000 1.030 22 N CA 0.702 53.680 53.050 -0.120 0.000 0.849 22 N CB -0.532 37.932 38.487 -0.038 0.000 1.012 22 N HN 0.050 nan 8.380 nan 0.000 0.423 23 V N 1.235 121.014 119.914 -0.226 0.000 2.358 23 V HA -0.179 3.942 4.120 0.000 0.000 0.246 23 V C 2.257 178.203 176.094 -0.247 0.000 1.047 23 V CA 1.697 63.870 62.300 -0.212 0.000 1.035 23 V CB -0.966 30.709 31.823 -0.247 0.000 0.658 23 V HN 0.332 nan 8.190 nan 0.000 0.452 24 T N -0.879 113.432 114.554 -0.406 0.000 2.684 24 T HA -0.234 4.116 4.350 0.000 0.000 0.267 24 T C 1.690 176.267 174.700 -0.205 0.000 1.036 24 T CA 2.102 63.986 62.100 -0.360 0.000 1.148 24 T CB -0.411 68.189 68.868 -0.446 0.000 0.863 24 T HN 0.676 nan 8.240 nan 0.000 0.436 25 H N -0.044 118.845 119.070 -0.302 0.000 2.387 25 H HA 0.115 4.667 4.556 -0.007 0.000 0.299 25 H C 1.126 176.190 175.328 -0.440 0.000 1.090 25 H CA -0.016 55.678 56.048 -0.591 0.000 1.332 25 H CB -0.133 28.960 29.762 -1.116 0.000 1.386 25 H HN 0.287 nan 8.280 nan 0.000 0.516 29 F N 4.077 124.026 119.950 -0.002 0.000 2.187 29 F HA 0.298 4.833 4.527 0.013 0.000 0.295 29 F C 1.256 177.097 175.800 0.068 0.000 1.091 29 F CA 0.513 58.553 58.000 0.067 0.000 1.308 29 F CB 0.377 39.507 39.000 0.218 0.000 1.030 29 F HN 0.091 nan 8.300 nan 0.000 0.487 30 I N -0.172 120.451 120.570 0.088 0.000 3.021 30 I HA 0.366 4.536 4.170 0.000 0.000 0.303 30 I C -2.312 173.780 176.117 -0.043 0.000 1.044 30 I CA -2.176 59.119 61.300 -0.008 0.000 1.266 30 I CB -0.323 37.756 38.000 0.131 0.000 1.447 30 I HN -0.150 nan 8.210 nan 0.000 0.593 31 P HA 0.074 nan 4.420 nan 0.000 0.269 31 P C 0.496 177.800 177.300 0.006 0.000 1.215 31 P CA -0.212 62.873 63.100 -0.025 0.000 0.780 31 P CB 0.740 32.431 31.700 -0.016 0.000 0.898 32 S N 0.179 115.880 115.700 0.002 0.000 2.469 32 S HA -0.159 4.312 4.470 0.000 0.000 0.238 32 S C 0.968 175.584 174.600 0.026 0.000 0.998 32 S CA 1.168 59.375 58.200 0.012 0.000 0.957 32 S CB -0.742 62.461 63.200 0.005 0.000 0.764 32 S HN 0.606 nan 8.310 nan 0.000 0.514 33 D N 0.836 121.256 120.400 0.035 0.000 2.388 33 D HA 0.188 4.829 4.640 0.000 0.000 0.221 33 D C -0.190 176.158 176.300 0.081 0.000 1.133 33 D CA -0.364 53.668 54.000 0.053 0.000 0.831 33 D CB -0.106 40.724 40.800 0.051 0.000 0.962 33 D HN 0.281 nan 8.370 nan 0.000 0.502 34 V N 0.859 120.820 119.914 0.078 0.000 2.417 34 V HA 0.236 4.356 4.120 0.000 0.000 0.291 34 V C 0.321 176.477 176.094 0.103 0.000 1.024 34 V CA -0.879 61.485 62.300 0.107 0.000 0.861 34 V CB 1.784 33.671 31.823 0.106 0.000 0.985 34 V HN 0.026 nan 8.190 nan 0.000 0.436 35 E N 3.920 124.197 120.200 0.128 0.000 2.349 35 E HA 0.522 4.872 4.350 0.000 0.000 0.262 35 E C -0.938 175.714 176.600 0.087 0.000 1.088 35 E CA -0.509 55.944 56.400 0.087 0.000 0.899 35 E CB 1.841 31.600 29.700 0.098 0.000 1.044 35 E HN 0.509 nan 8.360 nan 0.000 0.420 36 I N 2.278 122.867 120.570 0.032 0.000 2.378 36 I HA 0.207 4.378 4.170 0.000 0.000 0.291 36 I C -0.672 175.448 176.117 0.006 0.000 0.992 36 I CA -0.600 60.741 61.300 0.068 0.000 1.154 36 I CB 0.689 38.714 38.000 0.042 0.000 1.315 36 I HN 0.314 nan 8.210 nan 0.000 0.448 37 F N 4.756 124.714 119.950 0.014 0.000 2.438 37 F HA 0.410 4.939 4.527 0.002 0.000 0.356 37 F C 0.886 176.672 175.800 -0.024 0.000 1.099 37 F CA -0.300 57.691 58.000 -0.015 0.000 1.185 37 F CB 0.943 39.917 39.000 -0.044 0.000 1.115 37 F HN 0.450 nan 8.300 nan 0.000 0.526 38 A N 4.276 127.171 122.820 0.126 0.000 2.302 38 A HA 0.542 4.862 4.320 0.000 0.000 0.295 38 A C -0.528 177.110 177.584 0.090 0.000 1.235 38 A CA -0.573 51.485 52.037 0.036 0.000 0.876 38 A CB -0.026 18.959 19.000 -0.024 0.000 1.133 38 A HN 0.545 nan 8.150 nan 0.000 0.533 39 V N 5.161 125.117 119.914 0.069 0.000 2.368 39 V HA 0.388 4.508 4.120 0.000 0.000 0.266 39 V C 0.551 176.782 176.094 0.228 0.000 1.045 39 V CA -0.024 62.367 62.300 0.151 0.000 0.899 39 V CB 0.293 32.224 31.823 0.180 0.000 1.006 39 V HN 0.839 nan 8.190 nan 0.000 0.470 43 N N 0.285 118.728 118.700 -0.429 0.000 2.738 43 N HA -0.033 4.707 4.740 0.000 0.000 0.249 43 N C 0.981 176.196 175.510 -0.491 0.000 1.047 43 N CA 1.887 54.264 53.050 -1.121 0.000 0.707 43 N CB -1.131 37.044 38.487 -0.519 0.000 0.937 43 N HN 2.132 nan 8.380 nan 0.000 0.545 44 A N 0.475 123.163 122.820 -0.220 0.000 2.466 44 A HA -0.212 4.109 4.320 0.000 0.000 0.295 44 A C 0.636 178.252 177.584 0.053 0.000 1.465 44 A CA 1.297 53.422 52.037 0.148 0.000 0.744 44 A CB -2.324 16.809 19.000 0.221 0.000 1.098 44 A HN 1.318 nan 8.150 nan 0.000 0.402 45 Y N -2.743 117.416 120.300 -0.236 0.000 3.225 45 Y HA -0.152 4.401 4.550 0.004 0.000 0.211 45 Y C 1.952 177.787 175.900 -0.109 0.000 1.223 45 Y CA 1.878 59.802 58.100 -0.293 0.000 1.284 45 Y CB -1.784 36.199 38.460 -0.796 0.000 1.367 45 Y HN 2.382 nan 8.280 nan 0.000 0.566 46 G N -1.712 107.111 108.800 0.039 0.000 2.179 46 G HA2 -0.411 3.549 3.960 0.000 0.000 0.260 46 G HA3 -0.411 3.549 3.960 0.000 0.000 0.260 46 G C 0.583 175.446 174.900 -0.062 0.000 0.977 46 G CA 0.667 45.752 45.100 -0.025 0.000 0.641 46 G HN 0.635 nan 8.290 nan 0.000 0.533 47 H N 0.506 119.532 119.070 -0.074 0.000 2.563 47 H HA 0.428 4.985 4.556 0.003 0.000 0.264 47 H C 0.218 175.643 175.328 0.161 0.000 0.957 47 H CA 0.419 56.498 56.048 0.051 0.000 1.173 47 H CB 0.540 30.411 29.762 0.181 0.000 1.420 47 H HN 0.429 nan 8.280 nan 0.000 0.551 48 D N -2.088 118.401 120.400 0.149 0.000 8.644 48 D HA -0.155 4.485 4.640 0.000 0.000 0.260 48 D C 0.035 176.420 176.300 0.142 0.000 2.405 48 D CA -0.006 54.063 54.000 0.116 0.000 2.292 48 D CB -1.097 39.851 40.800 0.247 0.000 0.893 48 D HN 0.058 nan 8.370 nan 0.000 0.594 49 Y N 0.852 121.259 120.300 0.178 0.000 2.030 49 Y HA -0.311 4.238 4.550 -0.001 0.000 0.272 49 Y C 2.482 178.433 175.900 0.084 0.000 1.185 49 Y CA 1.970 60.149 58.100 0.132 0.000 1.120 49 Y CB -0.587 37.934 38.460 0.100 0.000 0.955 49 Y HN 0.479 nan 8.280 nan 0.000 0.495 50 V N -0.216 119.837 119.914 0.231 0.000 2.302 50 V HA -0.144 3.976 4.120 0.000 0.000 0.243 50 V C -0.455 175.631 176.094 -0.012 0.000 1.036 50 V CA 1.691 64.046 62.300 0.092 0.000 1.020 50 V CB -1.698 30.163 31.823 0.063 0.000 0.657 50 V HN 0.270 nan 8.190 nan 0.000 0.453 51 P HA -0.087 nan 4.420 nan 0.000 0.218 51 P C 1.868 179.126 177.300 -0.070 0.000 1.149 51 P CA 1.161 64.106 63.100 -0.258 0.000 0.817 51 P CB -0.070 31.126 31.700 -0.840 0.000 0.785 52 V N -0.153 119.785 119.914 0.040 0.000 2.307 52 V HA -0.140 3.980 4.120 0.000 0.000 0.245 52 V C 1.624 177.740 176.094 0.037 0.000 1.045 52 V CA 1.370 63.719 62.300 0.083 0.000 1.024 52 V CB -1.607 30.320 31.823 0.173 0.000 0.651 52 V HN 0.134 nan 8.190 nan 0.000 0.449 56 A N 1.206 124.017 122.820 -0.015 0.000 1.902 56 A HA -0.064 4.256 4.320 0.000 0.000 0.217 56 A C 2.049 179.595 177.584 -0.063 0.000 1.181 56 A CA 2.154 54.149 52.037 -0.071 0.000 0.623 56 A CB -0.823 18.124 19.000 -0.089 0.000 0.818 56 A HN 0.465 nan 8.150 nan 0.000 0.443 57 L N -0.907 120.298 121.223 -0.030 0.000 2.056 57 L HA -0.190 4.151 4.340 0.000 0.000 0.207 57 L C 2.646 179.507 176.870 -0.014 0.000 1.078 57 L CA 1.720 56.543 54.840 -0.028 0.000 0.749 57 L CB -0.514 41.535 42.059 -0.017 0.000 0.901 57 L HN 0.596 nan 8.230 nan 0.000 0.433 58 E N 0.665 120.881 120.200 0.027 0.000 2.085 58 E HA -0.268 4.082 4.350 0.000 0.000 0.194 58 E C 2.066 178.715 176.600 0.081 0.000 0.994 58 E CA 1.344 57.797 56.400 0.090 0.000 0.801 58 E CB -0.006 29.792 29.700 0.163 0.000 0.743 58 E HN 0.473 nan 8.360 nan 0.000 0.453 59 A N -0.468 122.305 122.820 -0.079 0.000 2.168 59 A HA 0.159 4.479 4.320 0.000 0.000 0.215 59 A C 1.731 179.139 177.584 -0.292 0.000 1.152 59 A CA 1.225 52.969 52.037 -0.487 0.000 0.716 59 A CB -0.139 18.403 19.000 -0.763 0.000 0.794 59 A HN 0.528 nan 8.150 nan 0.000 0.465 60 G N -2.669 106.044 108.800 -0.145 0.000 2.260 60 G HA2 0.221 4.181 3.960 0.000 0.000 0.179 60 G HA3 0.221 4.181 3.960 0.000 0.000 0.179 60 G C 0.417 175.268 174.900 -0.081 0.000 1.002 60 G CA 0.024 45.065 45.100 -0.099 0.000 0.677 60 G HN 1.399 nan 8.290 nan 0.000 0.486 61 A N 0.548 123.315 122.820 -0.089 0.000 2.483 61 A HA 0.606 4.926 4.320 0.000 0.000 0.238 61 A C 1.519 179.058 177.584 -0.076 0.000 1.070 61 A CA 1.747 53.741 52.037 -0.072 0.000 0.770 61 A CB 0.299 19.259 19.000 -0.067 0.000 1.008 61 A HN 1.380 nan 8.150 nan 0.000 0.497 62 T N -0.951 113.542 114.554 -0.102 0.000 2.975 62 T HA 0.348 4.698 4.350 0.000 0.000 0.257 62 T C 0.625 175.223 174.700 -0.170 0.000 1.003 62 T CA -0.016 62.012 62.100 -0.120 0.000 0.932 62 T CB 0.092 68.889 68.868 -0.118 0.000 1.087 62 T HN 0.695 nan 8.240 nan 0.000 0.512 63 R N -0.045 120.318 120.500 -0.229 0.000 2.836 63 R HA 0.803 5.143 4.340 0.000 0.000 0.269 63 R C -1.585 174.659 176.300 -0.094 0.000 1.010 63 R CA -0.876 55.055 56.100 -0.281 0.000 0.930 63 R CB 1.935 31.773 30.300 -0.770 0.000 1.218 63 R HN 0.084 nan 8.270 nan 0.000 0.473 64 L N 0.556 121.798 121.223 0.031 0.000 2.341 64 L HA 0.895 5.235 4.340 0.000 0.000 0.267 64 L C -0.692 176.322 176.870 0.239 0.000 1.009 64 L CA -1.054 53.866 54.840 0.133 0.000 0.819 64 L CB 2.198 44.305 42.059 0.079 0.000 1.323 64 L HN 0.721 nan 8.230 nan 0.000 0.425 65 A N 1.435 124.373 122.820 0.196 0.000 2.414 65 A HA 0.885 5.205 4.320 0.000 0.000 0.306 65 A C -0.847 176.796 177.584 0.098 0.000 1.054 65 A CA -0.549 51.551 52.037 0.105 0.000 0.724 65 A CB 1.981 20.969 19.000 -0.019 0.000 1.267 65 A HN 0.577 nan 8.150 nan 0.000 0.418 66 V N -1.678 118.272 119.914 0.060 0.000 3.156 66 V HA 0.918 5.038 4.120 0.000 0.000 0.311 66 V C 0.802 176.931 176.094 0.058 0.000 1.208 66 V CA -0.008 62.336 62.300 0.073 0.000 1.063 66 V CB 1.174 33.006 31.823 0.015 0.000 1.098 66 V HN 1.599 nan 8.190 nan 0.000 0.452 67 A N 0.546 123.409 122.820 0.072 0.000 1.911 67 A HA 0.623 4.943 4.320 0.000 0.000 0.212 67 A C 0.644 178.393 177.584 0.276 0.000 1.189 67 A CA 1.558 53.698 52.037 0.172 0.000 0.639 67 A CB -0.377 18.796 19.000 0.288 0.000 0.839 67 A HN 1.631 nan 8.150 nan 0.000 0.449 68 F N -5.398 114.603 119.950 0.085 0.000 2.686 68 F HA 0.584 5.111 4.527 0.001 0.000 0.311 68 F C 0.116 175.956 175.800 0.067 0.000 1.128 68 F CA -1.169 56.877 58.000 0.078 0.000 0.946 68 F CB 0.645 39.691 39.000 0.077 0.000 1.336 68 F HN -0.095 nan 8.300 nan 0.000 0.457 69 L N 1.599 122.970 121.223 0.247 0.000 2.079 69 L HA -0.046 4.294 4.340 0.000 0.000 0.210 69 L C 1.333 178.213 176.870 0.016 0.000 1.081 69 L CA 2.230 57.142 54.840 0.119 0.000 0.752 69 L CB -1.165 40.996 42.059 0.170 0.000 0.896 69 L HN 0.796 nan 8.230 nan 0.000 0.433 70 D N -0.535 119.902 120.400 0.062 0.000 2.149 70 D HA -0.207 4.434 4.640 0.000 0.000 0.198 70 D C 1.983 178.122 176.300 -0.268 0.000 0.990 70 D CA 1.559 55.541 54.000 -0.031 0.000 0.839 70 D CB -0.084 40.808 40.800 0.154 0.000 0.948 70 D HN 0.540 nan 8.370 nan 0.000 0.460 71 E N 0.414 120.290 120.200 -0.540 0.000 2.110 71 E HA -0.138 4.212 4.350 0.000 0.000 0.193 71 E C 2.178 178.541 176.600 -0.395 0.000 0.988 71 E CA 0.918 56.944 56.400 -0.625 0.000 0.804 71 E CB -0.121 29.230 29.700 -0.583 0.000 0.745 71 E HN 0.297 nan 8.360 nan 0.000 0.458 72 A N 1.330 124.021 122.820 -0.216 0.000 1.933 72 A HA -0.138 4.182 4.320 0.000 0.000 0.218 72 A C 2.190 179.718 177.584 -0.093 0.000 1.175 72 A CA 0.961 52.936 52.037 -0.103 0.000 0.628 72 A CB -0.550 18.432 19.000 -0.030 0.000 0.814 72 A HN 0.126 nan 8.150 nan 0.000 0.444 73 L N -0.534 120.632 121.223 -0.095 0.000 2.141 73 L HA -0.124 4.216 4.340 0.000 0.000 0.209 73 L C 2.431 179.250 176.870 -0.085 0.000 1.094 73 L CA 0.660 55.464 54.840 -0.060 0.000 0.763 73 L CB -0.645 41.396 42.059 -0.029 0.000 0.908 73 L HN 0.221 nan 8.230 nan 0.000 0.437 74 V N 0.498 120.312 119.914 -0.167 0.000 2.287 74 V HA -0.312 3.808 4.120 0.000 0.000 0.248 74 V C 2.435 178.472 176.094 -0.095 0.000 1.053 74 V CA 1.841 64.039 62.300 -0.170 0.000 1.027 74 V CB -0.411 31.184 31.823 -0.381 0.000 0.646 74 V HN 0.356 nan 8.190 nan 0.000 0.447 75 L N -0.951 120.212 121.223 -0.100 0.000 2.027 75 L HA -0.114 4.226 4.340 0.000 0.000 0.206 75 L C 2.866 179.728 176.870 -0.014 0.000 1.074 75 L CA 1.338 56.160 54.840 -0.031 0.000 0.745 75 L CB -0.670 41.380 42.059 -0.016 0.000 0.898 75 L HN 0.193 nan 8.230 nan 0.000 0.433 76 R N 0.359 120.848 120.500 -0.018 0.000 2.081 76 R HA -0.115 4.225 4.340 0.000 0.000 0.235 76 R C 2.310 178.610 176.300 0.000 0.000 1.131 76 R CA 1.268 57.366 56.100 -0.003 0.000 0.960 76 R CB -0.564 29.737 30.300 0.002 0.000 0.856 76 R HN 0.400 nan 8.270 nan 0.000 0.436 77 R N 0.120 120.617 120.500 -0.004 0.000 2.152 77 R HA -0.018 4.323 4.340 0.000 0.000 0.232 77 R C 1.908 178.214 176.300 0.010 0.000 1.117 77 R CA 1.176 57.278 56.100 0.004 0.000 0.981 77 R CB -0.175 30.127 30.300 0.003 0.000 0.870 77 R HN 0.149 nan 8.270 nan 0.000 0.451 78 A N -0.085 122.740 122.820 0.009 0.000 2.238 78 A HA 0.182 4.502 4.320 0.000 0.000 0.208 78 A C 1.345 178.935 177.584 0.010 0.000 1.177 78 A CA 0.847 52.892 52.037 0.014 0.000 0.804 78 A CB 0.007 19.019 19.000 0.020 0.000 0.823 78 A HN 0.445 nan 8.150 nan 0.000 0.482 79 G N -0.958 107.846 108.800 0.008 0.000 2.141 79 G HA2 -0.201 3.759 3.960 0.000 0.000 0.231 79 G HA3 -0.201 3.759 3.960 0.000 0.000 0.231 79 G C 0.082 174.985 174.900 0.005 0.000 0.984 79 G CA 0.081 45.185 45.100 0.006 0.000 0.660 79 G HN 0.437 nan 8.290 nan 0.000 0.525 80 I N 1.832 122.405 120.570 0.005 0.000 2.533 80 I HA 0.287 4.458 4.170 0.000 0.000 0.284 80 I C 1.792 177.911 176.117 0.003 0.000 1.109 80 I CA 0.959 62.261 61.300 0.004 0.000 1.412 80 I CB 1.221 39.226 38.000 0.008 0.000 1.396 80 I HN 0.286 nan 8.210 nan 0.000 0.543 81 T N 1.798 116.351 114.554 -0.001 0.000 3.010 81 T HA 0.347 4.698 4.350 0.000 0.000 0.257 81 T C 0.727 175.421 174.700 -0.010 0.000 1.020 81 T CA -0.180 61.919 62.100 -0.002 0.000 0.938 81 T CB 0.279 69.145 68.868 -0.003 0.000 1.049 81 T HN 0.563 nan 8.240 nan 0.000 0.522 82 A N 2.967 125.777 122.820 -0.017 0.000 2.448 82 A HA 0.527 4.847 4.320 0.000 0.000 0.239 82 A C -2.279 175.287 177.584 -0.030 0.000 1.080 82 A CA -1.083 50.934 52.037 -0.034 0.000 0.779 82 A CB -0.512 18.463 19.000 -0.041 0.000 1.026 82 A HN 0.275 nan 8.150 nan 0.000 0.499 83 P HA 0.235 nan 4.420 nan 0.000 0.265 83 P C -0.885 176.413 177.300 -0.003 0.000 1.187 83 P CA 0.691 63.769 63.100 -0.037 0.000 0.766 83 P CB 0.242 31.886 31.700 -0.094 0.000 0.820 84 I N 2.807 123.400 120.570 0.039 0.000 2.466 84 I HA 0.355 4.525 4.170 0.000 0.000 0.289 84 I C -0.626 175.537 176.117 0.077 0.000 1.026 84 I CA -0.996 60.342 61.300 0.064 0.000 1.078 84 I CB 1.896 39.922 38.000 0.044 0.000 1.249 84 I HN 0.130 nan 8.210 nan 0.000 0.429 85 L N 7.736 129.006 121.223 0.078 0.000 2.313 85 L HA 0.565 4.905 4.340 0.000 0.000 0.283 85 L C -0.709 176.148 176.870 -0.022 0.000 1.013 85 L CA -0.452 54.380 54.840 -0.012 0.000 0.816 85 L CB 1.796 43.748 42.059 -0.178 0.000 1.236 85 L HN 0.321 nan 8.230 nan 0.000 0.419 86 V N 7.151 127.073 119.914 0.013 0.000 2.427 86 V HA 0.115 4.235 4.120 0.000 0.000 0.268 86 V C 1.238 177.339 176.094 0.013 0.000 1.046 86 V CA -0.000 62.323 62.300 0.038 0.000 0.970 86 V CB 0.918 32.801 31.823 0.099 0.000 1.001 86 V HN 0.845 nan 8.190 nan 0.000 0.476 87 L N 4.106 125.319 121.223 -0.016 0.000 2.249 87 L HA 0.246 4.586 4.340 0.000 0.000 0.207 87 L C 1.727 178.624 176.870 0.045 0.000 1.090 87 L CA 0.860 55.672 54.840 -0.046 0.000 0.802 87 L CB -0.290 41.690 42.059 -0.132 0.000 0.947 87 L HN 0.784 nan 8.230 nan 0.000 0.453 88 G N 0.176 109.021 108.800 0.076 0.000 2.616 88 G HA2 0.311 4.271 3.960 0.000 0.000 0.268 88 G HA3 0.311 4.271 3.960 0.000 0.000 0.268 88 G C -2.487 172.490 174.900 0.128 0.000 1.213 88 G CA -0.805 44.353 45.100 0.097 0.000 0.926 88 G HN -0.105 nan 8.290 nan 0.000 0.523 89 P HA 0.285 nan 4.420 nan 0.000 0.274 89 P C -0.719 176.702 177.300 0.201 0.000 1.237 89 P CA -0.264 62.957 63.100 0.201 0.000 0.793 89 P CB 1.485 33.319 31.700 0.223 0.000 0.977 90 S N 1.374 117.220 115.700 0.243 0.000 2.536 90 S HA 0.559 5.029 4.470 0.000 0.000 0.287 90 S C -2.622 172.247 174.600 0.448 0.000 1.101 90 S CA -1.247 57.137 58.200 0.307 0.000 0.950 90 S CB 1.597 64.996 63.200 0.331 0.000 1.056 90 S HN 0.413 nan 8.310 nan 0.000 0.481 91 P HA 0.279 nan 4.420 nan 0.000 0.275 91 P C -2.306 175.086 177.300 0.152 0.000 1.228 91 P CA -1.454 61.773 63.100 0.212 0.000 0.786 91 P CB 0.077 31.833 31.700 0.093 0.000 0.927 92 P HA -0.156 nan 4.420 nan 0.000 0.219 92 P C 1.432 178.522 177.300 -0.350 0.000 1.146 92 P CA 1.555 64.143 63.100 -0.854 0.000 0.808 92 P CB -0.246 30.886 31.700 -0.947 0.000 0.779 93 R N -0.272 120.138 120.500 -0.149 0.000 2.249 93 R HA -0.119 4.222 4.340 0.000 0.000 0.230 93 R C 0.813 177.127 176.300 0.024 0.000 1.121 93 R CA 1.470 57.536 56.100 -0.057 0.000 0.997 93 R CB -1.205 29.078 30.300 -0.028 0.000 0.867 93 R HN 0.091 nan 8.270 nan 0.000 0.465 94 D N 1.045 121.503 120.400 0.096 0.000 2.371 94 D HA -0.048 4.592 4.640 0.000 0.000 0.221 94 D C 1.658 178.085 176.300 0.211 0.000 0.986 94 D CA 0.250 54.354 54.000 0.174 0.000 0.899 94 D CB -0.052 40.901 40.800 0.255 0.000 0.902 94 D HN 0.203 nan 8.370 nan 0.000 0.530 95 I N 1.182 121.868 120.570 0.193 0.000 2.163 95 I HA -0.279 3.891 4.170 0.000 0.000 0.243 95 I C 1.322 177.586 176.117 0.244 0.000 1.085 95 I CA 1.484 62.954 61.300 0.284 0.000 1.347 95 I CB -0.126 38.007 38.000 0.221 0.000 1.044 95 I HN -0.016 nan 8.210 nan 0.000 0.408 96 N N 0.471 119.271 118.700 0.166 0.000 2.171 96 N HA -0.092 4.648 4.740 0.000 0.000 0.184 96 N C 1.892 177.475 175.510 0.122 0.000 1.021 96 N CA 1.235 54.368 53.050 0.139 0.000 0.854 96 N CB -0.354 38.172 38.487 0.065 0.000 0.994 96 N HN 0.271 nan 8.380 nan 0.000 0.426 97 V N 1.895 121.874 119.914 0.110 0.000 2.427 97 V HA -0.141 3.980 4.120 0.000 0.000 0.248 97 V C 2.517 178.681 176.094 0.116 0.000 1.051 97 V CA 1.624 63.981 62.300 0.096 0.000 1.048 97 V CB -0.917 30.956 31.823 0.085 0.000 0.666 97 V HN 0.250 nan 8.190 nan 0.000 0.456 98 A N 0.309 123.221 122.820 0.153 0.000 1.865 98 A HA -0.165 4.156 4.320 0.000 0.000 0.217 98 A C 2.471 180.149 177.584 0.157 0.000 1.191 98 A CA 2.281 54.416 52.037 0.163 0.000 0.623 98 A CB -0.949 18.180 19.000 0.215 0.000 0.826 98 A HN 0.565 nan 8.150 nan 0.000 0.444 99 A N -0.320 122.610 122.820 0.184 0.000 1.883 99 A HA -0.233 4.088 4.320 0.000 0.000 0.217 99 A C 1.919 179.582 177.584 0.131 0.000 1.186 99 A CA 1.881 54.025 52.037 0.179 0.000 0.624 99 A CB -0.674 18.459 19.000 0.222 0.000 0.822 99 A HN 0.645 nan 8.150 nan 0.000 0.444 100 E N -0.279 119.987 120.200 0.111 0.000 2.153 100 E HA -0.123 4.227 4.350 0.000 0.000 0.194 100 E C 0.774 177.414 176.600 0.068 0.000 0.988 100 E CA 1.029 57.476 56.400 0.079 0.000 0.811 100 E CB -0.089 29.648 29.700 0.062 0.000 0.746 100 E HN 0.572 nan 8.360 nan 0.000 0.466 101 N N 0.993 119.737 118.700 0.073 0.000 2.251 101 N HA -0.041 4.699 4.740 0.000 0.000 0.217 101 N C -0.582 174.965 175.510 0.061 0.000 1.124 101 N CA 0.166 53.251 53.050 0.058 0.000 0.843 101 N CB 0.734 39.252 38.487 0.052 0.000 1.024 101 N HN 0.017 nan 8.380 nan 0.000 0.501 102 D N 0.637 121.083 120.400 0.076 0.000 2.708 102 D HA -0.157 4.484 4.640 0.000 0.000 0.236 102 D C -1.098 175.249 176.300 0.078 0.000 1.146 102 D CA 0.439 54.484 54.000 0.075 0.000 0.662 102 D CB -1.108 39.723 40.800 0.052 0.000 1.059 102 D HN -0.063 nan 8.370 nan 0.000 0.428 103 V N 0.359 120.332 119.914 0.097 0.000 2.459 103 V HA 0.787 4.907 4.120 0.000 0.000 0.295 103 V C 0.863 177.040 176.094 0.137 0.000 1.029 103 V CA -0.457 61.903 62.300 0.100 0.000 0.874 103 V CB 1.617 33.494 31.823 0.090 0.000 0.985 103 V HN 0.420 nan 8.190 nan 0.000 0.438 104 A N 6.178 129.082 122.820 0.141 0.000 2.327 104 A HA 0.789 5.109 4.320 0.000 0.000 0.283 104 A C -0.498 177.187 177.584 0.170 0.000 1.127 104 A CA -0.325 51.827 52.037 0.191 0.000 0.810 104 A CB 0.316 19.465 19.000 0.248 0.000 1.066 104 A HN 0.798 nan 8.150 nan 0.000 0.492 105 L N 1.099 122.444 121.223 0.203 0.000 2.330 105 L HA 0.423 4.763 4.340 0.000 0.000 0.271 105 L C 0.343 177.311 176.870 0.162 0.000 1.013 105 L CA -0.730 54.199 54.840 0.148 0.000 0.816 105 L CB 1.924 44.051 42.059 0.113 0.000 1.287 105 L HN 0.633 nan 8.230 nan 0.000 0.435 106 T N 1.914 116.544 114.554 0.126 0.000 2.779 106 T HA 0.369 4.719 4.350 0.000 0.000 0.296 106 T C -0.214 174.487 174.700 0.002 0.000 0.938 106 T CA -0.099 62.103 62.100 0.169 0.000 1.119 106 T CB 0.559 69.541 68.868 0.190 0.000 0.891 106 T HN 0.219 nan 8.240 nan 0.000 0.526 107 V N 5.554 125.460 119.914 -0.014 0.000 2.638 107 V HA 0.578 4.699 4.120 0.000 0.000 0.306 107 V C -0.296 175.639 176.094 -0.266 0.000 1.052 107 V CA -0.767 61.308 62.300 -0.376 0.000 0.885 107 V CB 1.530 32.935 31.823 -0.696 0.000 0.999 107 V HN 0.984 nan 8.190 nan 0.000 0.424 108 F N 1.734 121.302 119.950 -0.635 0.000 3.110 108 F HA 0.552 5.080 4.527 0.001 0.000 0.342 108 F C -0.051 175.318 175.800 -0.718 0.000 1.251 108 F CA -0.420 57.003 58.000 -0.961 0.000 0.987 108 F CB -0.081 38.545 39.000 -0.624 0.000 1.472 108 F HN 0.405 nan 8.300 nan 0.000 0.501 112 W N 2.110 123.348 121.300 -0.104 0.000 2.355 112 W HA -0.147 4.515 4.660 0.003 0.000 0.309 112 W C 1.728 178.214 176.519 -0.055 0.000 1.206 112 W CA 2.157 59.447 57.345 -0.092 0.000 1.284 112 W CB -0.003 29.363 29.460 -0.158 0.000 1.145 112 W HN -0.051 nan 8.180 nan 0.000 0.502 113 V N 1.048 121.183 119.914 0.368 0.000 2.287 113 V HA -0.354 3.766 4.120 0.000 0.000 0.248 113 V C 2.033 178.132 176.094 0.008 0.000 1.053 113 V CA 2.371 64.777 62.300 0.177 0.000 1.027 113 V CB -1.080 30.742 31.823 -0.000 0.000 0.646 113 V HN 0.128 nan 8.190 nan 0.000 0.447 114 D N -0.295 120.100 120.400 -0.009 0.000 2.133 114 D HA -0.211 4.429 4.640 0.000 0.000 0.195 114 D C 2.210 178.478 176.300 -0.052 0.000 0.997 114 D CA 1.742 55.725 54.000 -0.029 0.000 0.840 114 D CB -0.126 40.658 40.800 -0.027 0.000 0.947 114 D HN 0.525 nan 8.370 nan 0.000 0.452 115 E N 0.663 120.793 120.200 -0.116 0.000 2.112 115 E HA 0.008 4.358 4.350 0.000 0.000 0.190 115 E C 1.885 178.360 176.600 -0.209 0.000 0.979 115 E CA 1.113 57.411 56.400 -0.170 0.000 0.814 115 E CB -0.265 29.293 29.700 -0.237 0.000 0.762 115 E HN 0.141 nan 8.360 nan 0.000 0.460 116 A N 0.773 123.404 122.820 -0.315 0.000 1.933 116 A HA -0.053 4.267 4.320 0.000 0.000 0.218 116 A C 1.403 179.040 177.584 0.088 0.000 1.175 116 A CA 0.774 52.666 52.037 -0.242 0.000 0.628 116 A CB -0.687 18.126 19.000 -0.311 0.000 0.814 116 A HN 0.310 nan 8.150 nan 0.000 0.444 120 W N 4.847 125.997 121.300 -0.251 0.000 2.295 120 W HA 0.070 4.730 4.660 0.001 0.000 0.335 120 W C 1.257 177.610 176.519 -0.278 0.000 1.351 120 W CA 0.429 57.531 57.345 -0.404 0.000 1.273 120 W CB 0.645 29.585 29.460 -0.867 0.000 1.214 120 W HN 0.265 nan 8.180 nan 0.000 0.563 121 D N 2.710 122.764 120.400 -0.576 0.000 2.363 121 D HA 0.044 4.685 4.640 0.000 0.000 0.220 121 D C 1.671 177.412 176.300 -0.932 0.000 0.994 121 D CA 0.874 54.530 54.000 -0.574 0.000 0.890 121 D CB -0.346 40.255 40.800 -0.332 0.000 0.906 121 D HN 0.761 nan 8.370 nan 0.000 0.530 122 G N -0.561 107.016 108.800 -2.039 0.000 2.175 122 G HA2 -0.315 3.645 3.960 0.000 0.000 0.244 122 G HA3 -0.315 3.645 3.960 0.000 0.000 0.244 122 G C 1.023 175.129 174.900 -1.323 0.000 0.982 122 G CA 0.833 44.675 45.100 -2.095 0.000 0.641 122 G HN 0.766 nan 8.290 nan 0.000 0.527 123 S N -1.145 114.073 115.700 -0.802 0.000 2.882 123 S HA 0.444 4.914 4.470 0.000 0.000 0.258 123 S C 1.065 175.775 174.600 0.182 0.000 1.081 123 S CA 1.168 59.280 58.200 -0.147 0.000 0.886 123 S CB -0.074 63.043 63.200 -0.137 0.000 0.855 123 S HN 1.734 nan 8.310 nan 0.000 0.467 124 S N 2.501 118.334 115.700 0.221 0.000 2.576 124 S HA 0.534 5.005 4.470 0.000 0.000 0.276 124 S C -0.121 174.782 174.600 0.505 0.000 1.339 124 S CA -0.328 58.069 58.200 0.327 0.000 1.039 124 S CB 0.512 63.859 63.200 0.245 0.000 0.902 124 S HN 0.426 nan 8.310 nan 0.000 0.516 125 T N 3.061 117.817 114.554 0.336 0.000 2.859 125 T HA 0.601 4.952 4.350 0.000 0.000 0.281 125 T C -0.214 174.654 174.700 0.279 0.000 1.005 125 T CA -0.733 61.552 62.100 0.309 0.000 1.025 125 T CB 1.266 70.263 68.868 0.215 0.000 0.977 125 T HN 0.759 nan 8.240 nan 0.000 0.458 129 H N 2.739 121.950 119.070 0.235 0.000 2.469 129 H HA 0.587 5.142 4.556 -0.002 0.000 0.342 129 H C -0.671 174.814 175.328 0.261 0.000 1.115 129 H CA -0.998 55.194 56.048 0.240 0.000 1.204 129 H CB 2.446 32.456 29.762 0.413 0.000 1.492 129 H HN 0.593 nan 8.280 nan 0.000 0.499 130 I N 2.833 123.529 120.570 0.209 0.000 2.416 130 I HA -0.049 4.121 4.170 0.000 0.000 0.288 130 I C 0.666 176.541 176.117 -0.405 0.000 1.051 130 I CA -0.157 61.084 61.300 -0.098 0.000 1.375 130 I CB 0.320 38.179 38.000 -0.236 0.000 1.407 130 I HN 0.423 nan 8.210 nan 0.000 0.516 131 N N 7.290 125.601 118.700 -0.648 0.000 2.422 131 N HA 0.299 5.040 4.740 0.000 0.000 0.266 131 N C -1.308 173.736 175.510 -0.777 0.000 1.007 131 N CA -0.229 52.179 53.050 -1.071 0.000 0.941 131 N CB 0.670 38.503 38.487 -1.091 0.000 1.115 131 N HN 0.283 nan 8.380 nan 0.000 0.492 132 F N 1.266 120.946 119.950 -0.452 0.000 2.410 132 F HA 0.151 4.677 4.527 -0.001 0.000 0.349 132 F C 0.866 176.491 175.800 -0.293 0.000 1.117 132 F CA -0.923 56.929 58.000 -0.246 0.000 1.104 132 F CB 1.068 40.038 39.000 -0.050 0.000 1.122 132 F HN 0.361 nan 8.300 nan 0.000 0.483 133 D N 2.005 122.389 120.400 -0.027 0.000 2.365 133 D HA 0.070 4.710 4.640 0.000 0.000 0.237 133 D C 0.530 176.813 176.300 -0.029 0.000 1.190 133 D CA -0.121 53.832 54.000 -0.078 0.000 0.867 133 D CB 0.972 41.724 40.800 -0.079 0.000 1.050 133 D HN 0.459 nan 8.370 nan 0.000 0.491 134 S N 1.981 117.629 115.700 -0.088 0.000 2.572 134 S HA 0.406 4.876 4.470 0.000 0.000 0.228 134 S C 1.306 175.847 174.600 -0.099 0.000 0.963 134 S CA 0.104 58.240 58.200 -0.108 0.000 0.939 134 S CB 0.475 63.577 63.200 -0.164 0.000 0.804 134 S HN 0.662 nan 8.310 nan 0.000 0.480 135 G N 0.840 109.623 108.800 -0.028 0.000 2.559 135 G HA2 -0.180 3.780 3.960 0.000 0.000 0.202 135 G HA3 -0.180 3.780 3.960 0.000 0.000 0.202 135 G C 0.503 175.524 174.900 0.202 0.000 0.992 135 G CA 0.144 45.288 45.100 0.073 0.000 0.764 135 G HN 0.318 nan 8.290 nan 0.000 0.525 136 M N 1.493 121.152 119.600 0.098 0.000 2.254 136 M HA 0.368 4.848 4.480 0.000 0.000 0.265 136 M C 2.023 178.358 176.300 0.058 0.000 1.066 136 M CA 2.322 57.677 55.300 0.091 0.000 1.123 136 M CB -0.354 32.289 32.600 0.072 0.000 1.388 136 M HN 1.481 nan 8.290 nan 0.000 0.425 137 G N 0.301 109.122 108.800 0.034 0.000 2.153 137 G HA2 -0.366 3.595 3.960 0.000 0.000 0.252 137 G HA3 -0.366 3.595 3.960 0.000 0.000 0.252 137 G C 0.910 175.810 174.900 -0.001 0.000 0.994 137 G CA 0.904 46.017 45.100 0.023 0.000 0.698 137 G HN 0.576 nan 8.290 nan 0.000 0.521 138 R N -0.091 120.393 120.500 -0.027 0.000 1.950 138 R HA 0.639 4.979 4.340 0.000 0.000 0.200 138 R C 1.566 177.814 176.300 -0.086 0.000 1.476 138 R CA 0.929 57.005 56.100 -0.039 0.000 1.145 138 R CB 0.062 30.343 30.300 -0.032 0.000 0.942 138 R HN 0.805 nan 8.270 nan 0.000 0.484 139 I N -2.766 117.685 120.570 -0.198 0.000 3.206 139 I HA 0.794 4.964 4.170 0.000 0.000 0.313 139 I C -0.533 175.197 176.117 -0.646 0.000 1.103 139 I CA -0.723 60.325 61.300 -0.420 0.000 0.985 139 I CB 2.305 39.980 38.000 -0.541 0.000 1.240 139 I HN 0.544 nan 8.210 nan 0.000 0.464 140 G N 1.834 109.928 108.800 -1.176 0.000 2.539 140 G HA2 0.038 3.998 3.960 0.000 0.000 0.686 140 G HA3 0.038 3.998 3.960 0.000 0.000 0.686 140 G C -1.060 173.680 174.900 -0.266 0.000 1.258 140 G CA -0.948 43.632 45.100 -0.866 0.000 0.846 140 G HN 0.813 nan 8.290 nan 0.000 0.647 141 I N 0.796 121.279 120.570 -0.144 0.000 2.648 141 I HA 0.217 4.388 4.170 0.000 0.000 0.284 141 I C 1.718 177.969 176.117 0.223 0.000 1.153 141 I CA 0.121 61.466 61.300 0.075 0.000 1.426 141 I CB 1.003 39.007 38.000 0.007 0.000 1.381 141 I HN 0.691 nan 8.210 nan 0.000 0.571 142 R N 2.921 123.557 120.500 0.227 0.000 2.164 142 R HA 0.174 4.514 4.340 0.000 0.000 0.198 142 R C -0.060 176.466 176.300 0.378 0.000 1.028 142 R CA 0.176 56.419 56.100 0.238 0.000 1.083 142 R CB 0.369 30.755 30.300 0.142 0.000 1.026 142 R HN 0.527 nan 8.270 nan 0.000 0.514 143 E N 0.948 121.340 120.200 0.319 0.000 2.235 143 E HA 0.250 4.600 4.350 0.000 0.000 0.265 143 E C -0.697 175.922 176.600 0.031 0.000 0.940 143 E CA -0.744 55.774 56.400 0.196 0.000 0.819 143 E CB 1.896 31.632 29.700 0.061 0.000 1.206 143 E HN 0.019 nan 8.360 nan 0.000 0.409 150 F N 2.281 122.171 119.950 -0.100 0.000 2.102 150 F HA 0.370 4.897 4.527 -0.000 0.000 0.298 150 F C 1.324 177.057 175.800 -0.113 0.000 1.105 150 F CA 0.745 58.687 58.000 -0.098 0.000 1.239 150 F CB -0.309 38.647 39.000 -0.074 0.000 0.991 150 F HN 0.037 nan 8.300 nan 0.000 0.474 154 L N 1.977 122.959 121.223 -0.403 0.000 2.265 154 L HA 0.046 4.386 4.340 0.000 0.000 0.215 154 L C 2.449 179.143 176.870 -0.293 0.000 1.117 154 L CA 1.691 56.281 54.840 -0.417 0.000 0.782 154 L CB -0.569 41.207 42.059 -0.472 0.000 0.914 154 L HN 0.495 nan 8.230 nan 0.000 0.441 155 E N -0.094 119.974 120.200 -0.221 0.000 2.204 155 E HA -0.160 4.190 4.350 0.000 0.000 0.195 155 E C 1.935 178.450 176.600 -0.141 0.000 0.990 155 E CA 0.956 57.262 56.400 -0.155 0.000 0.821 155 E CB -0.146 29.484 29.700 -0.118 0.000 0.750 155 E HN 0.544 nan 8.360 nan 0.000 0.477 156 G N -0.037 108.670 108.800 -0.155 0.000 3.189 156 G HA2 0.267 4.227 3.960 0.000 0.000 0.225 156 G HA3 0.267 4.227 3.960 0.000 0.000 0.225 156 G C 0.400 175.202 174.900 -0.163 0.000 1.159 156 G CA 0.241 45.274 45.100 -0.111 0.000 0.763 156 G HN 0.176 nan 8.290 nan 0.000 0.549 157 A N 1.199 123.810 122.820 -0.349 0.000 3.317 157 A HA 0.626 4.946 4.320 0.000 0.000 0.307 157 A C -1.379 175.695 177.584 -0.849 0.000 1.003 157 A CA -0.891 50.665 52.037 -0.802 0.000 0.882 157 A CB 1.050 19.491 19.000 -0.932 0.000 1.136 157 A HN 0.048 nan 8.150 nan 0.000 0.488 158 P HA -0.111 nan 4.420 nan 0.000 0.230 158 P C 0.872 178.011 177.300 -0.269 0.000 1.158 158 P CA 0.743 63.674 63.100 -0.282 0.000 0.769 158 P CB -0.305 31.332 31.700 -0.105 0.000 0.807 159 F N -1.646 118.076 119.950 -0.381 0.000 2.797 159 F HA 0.283 4.811 4.527 0.000 0.000 0.302 159 F C 0.612 176.319 175.800 -0.154 0.000 1.130 159 F CA -0.606 57.181 58.000 -0.354 0.000 1.387 159 F CB -1.047 37.384 39.000 -0.948 0.000 1.107 159 F HN -0.309 nan 8.300 nan 0.000 0.577 160 L N 2.218 123.160 121.223 -0.469 0.000 2.272 160 L HA 0.388 4.728 4.340 0.000 0.000 0.289 160 L C -0.263 176.704 176.870 0.160 0.000 1.032 160 L CA -0.437 54.351 54.840 -0.088 0.000 0.810 160 L CB 1.498 43.376 42.059 -0.302 0.000 1.205 160 L HN 0.179 nan 8.230 nan 0.000 0.422 161 E N 3.924 124.280 120.200 0.260 0.000 2.165 161 E HA 0.298 4.648 4.350 0.000 0.000 0.266 161 E C -1.195 175.273 176.600 -0.221 0.000 0.889 161 E CA -1.025 55.422 56.400 0.078 0.000 0.756 161 E CB 1.875 31.602 29.700 0.045 0.000 1.131 161 E HN 0.389 nan 8.360 nan 0.000 0.411 162 L N 4.468 125.446 121.223 -0.409 0.000 2.410 162 L HA 0.133 4.474 4.340 0.000 0.000 0.273 162 L C 0.690 177.311 176.870 -0.415 0.000 1.144 162 L CA 0.947 55.328 54.840 -0.766 0.000 0.863 162 L CB 0.898 42.713 42.059 -0.407 0.000 1.140 162 L HN 0.862 nan 8.230 nan 0.000 0.463 163 E N 2.857 122.777 120.200 -0.468 0.000 2.330 163 E HA 0.328 4.678 4.350 0.000 0.000 0.200 163 E C 0.362 176.727 176.600 -0.393 0.000 0.922 163 E CA 0.479 56.673 56.400 -0.344 0.000 0.935 163 E CB 0.528 30.095 29.700 -0.222 0.000 0.917 163 E HN 0.837 nan 8.360 nan 0.000 0.491 164 G N -0.383 108.055 108.800 -0.603 0.000 2.495 164 G HA2 0.443 4.403 3.960 0.000 0.000 0.294 164 G HA3 0.443 4.403 3.960 0.000 0.000 0.294 164 G C -1.768 173.147 174.900 0.025 0.000 1.397 164 G CA -0.500 44.504 45.100 -0.161 0.000 0.790 164 G HN 0.003 nan 8.290 nan 0.000 0.486 165 V N 0.541 120.586 119.914 0.218 0.000 2.760 165 V HA 0.807 4.927 4.120 0.000 0.000 0.309 165 V C -0.989 175.162 176.094 0.095 0.000 1.077 165 V CA -0.647 61.755 62.300 0.171 0.000 0.910 165 V CB 1.396 33.327 31.823 0.180 0.000 1.008 165 V HN 1.254 nan 8.190 nan 0.000 0.424 166 Y N 1.392 121.582 120.300 -0.183 0.000 2.670 166 Y HA 0.891 5.441 4.550 0.001 0.000 0.334 166 Y C -0.655 174.999 175.900 -0.410 0.000 1.185 166 Y CA -0.740 57.046 58.100 -0.523 0.000 1.053 166 Y CB 1.984 39.807 38.460 -1.062 0.000 1.298 166 Y HN 0.579 nan 8.280 nan 0.000 0.459 167 T N -0.203 113.974 114.554 -0.628 0.000 2.778 167 T HA 0.518 4.869 4.350 0.000 0.000 0.293 167 T C -2.377 172.074 174.700 -0.416 0.000 1.144 167 T CA -0.484 61.229 62.100 -0.645 0.000 1.010 167 T CB 1.354 69.631 68.868 -0.985 0.000 1.325 167 T HN 0.958 nan 8.240 nan 0.000 0.515 168 H N -0.006 118.744 119.070 -0.533 0.000 2.865 168 H HA 0.609 5.164 4.556 -0.001 0.000 0.362 168 H C -1.596 173.496 175.328 -0.392 0.000 1.114 168 H CA -0.722 55.107 56.048 -0.364 0.000 1.208 168 H CB 0.637 30.337 29.762 -0.103 0.000 1.727 168 H HN 0.389 nan 8.280 nan 0.000 0.534 169 F N 2.771 122.510 119.950 -0.352 0.000 2.394 169 F HA 0.430 4.955 4.527 -0.003 0.000 0.340 169 F C 1.284 176.964 175.800 -0.200 0.000 1.105 169 F CA 0.072 57.985 58.000 -0.145 0.000 1.124 169 F CB 1.596 40.652 39.000 0.094 0.000 1.145 169 F HN 0.760 nan 8.300 nan 0.000 0.505 170 A N 1.313 124.257 122.820 0.205 0.000 2.132 170 A HA 0.072 4.393 4.320 0.000 0.000 0.213 170 A C 1.347 178.990 177.584 0.098 0.000 1.154 170 A CA 1.231 53.338 52.037 0.115 0.000 0.753 170 A CB -0.520 18.556 19.000 0.127 0.000 0.826 170 A HN 0.765 nan 8.150 nan 0.000 0.469 171 T N -5.210 109.466 114.554 0.204 0.000 3.399 171 T HA 0.506 4.856 4.350 0.000 0.000 0.305 171 T C 1.073 175.863 174.700 0.149 0.000 0.983 171 T CA 0.637 62.820 62.100 0.138 0.000 0.967 171 T CB 0.106 69.056 68.868 0.137 0.000 1.186 171 T HN 0.385 nan 8.240 nan 0.000 0.504 172 A N 2.423 125.348 122.820 0.173 0.000 2.172 172 A HA 0.005 4.325 4.320 0.000 0.000 0.216 172 A C 1.952 179.535 177.584 -0.003 0.000 1.154 172 A CA 1.332 53.431 52.037 0.103 0.000 0.701 172 A CB -0.440 18.640 19.000 0.133 0.000 0.789 172 A HN 0.718 nan 8.150 nan 0.000 0.465 173 D N -0.258 120.147 120.400 0.009 0.000 2.328 173 D HA 0.027 4.667 4.640 0.000 0.000 0.221 173 D C 0.026 176.290 176.300 -0.059 0.000 1.072 173 D CA -0.005 53.977 54.000 -0.030 0.000 0.850 173 D CB -0.214 40.606 40.800 0.033 0.000 0.922 173 D HN 0.507 nan 8.370 nan 0.000 0.516 174 E N 0.299 120.470 120.200 -0.048 0.000 2.231 174 E HA 0.202 4.553 4.350 0.000 0.000 0.277 174 E C 1.024 177.549 176.600 -0.124 0.000 0.999 174 E CA -0.655 55.709 56.400 -0.061 0.000 0.827 174 E CB 2.849 32.539 29.700 -0.018 0.000 1.101 174 E HN -0.207 nan 8.360 nan 0.000 0.393 175 V N 2.300 122.116 119.914 -0.164 0.000 2.233 175 V HA -0.244 3.877 4.120 0.000 0.000 0.247 175 V C 0.811 176.814 176.094 -0.152 0.000 1.050 175 V CA 1.684 63.825 62.300 -0.265 0.000 1.010 175 V CB -0.434 31.280 31.823 -0.180 0.000 0.637 175 V HN 0.649 nan 8.190 nan 0.000 0.444 176 E N -0.237 119.926 120.200 -0.061 0.000 2.383 176 E HA 0.138 4.488 4.350 0.000 0.000 0.264 176 E C 0.348 176.956 176.600 0.013 0.000 1.050 176 E CA 0.153 56.545 56.400 -0.013 0.000 0.896 176 E CB 1.046 30.750 29.700 0.007 0.000 0.982 176 E HN 0.160 nan 8.360 nan 0.000 0.424 177 T N 0.888 115.456 114.554 0.024 0.000 3.040 177 T HA 0.040 4.390 4.350 0.000 0.000 0.266 177 T C 1.519 176.263 174.700 0.073 0.000 1.005 177 T CA -0.045 62.071 62.100 0.026 0.000 0.906 177 T CB 0.304 69.149 68.868 -0.039 0.000 1.082 177 T HN 0.269 nan 8.240 nan 0.000 0.531 178 S N 0.881 116.626 115.700 0.076 0.000 2.359 178 S HA -0.160 4.310 4.470 0.000 0.000 0.223 178 S C 1.560 176.220 174.600 0.099 0.000 1.039 178 S CA 1.297 59.541 58.200 0.073 0.000 1.042 178 S CB -0.446 62.800 63.200 0.077 0.000 0.915 178 S HN 0.622 nan 8.310 nan 0.000 0.439 179 Y N 0.954 121.280 120.300 0.044 0.000 2.242 179 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 179 Y C 2.072 178.016 175.900 0.074 0.000 1.137 179 Y CA 1.206 59.337 58.100 0.052 0.000 1.181 179 Y CB -0.430 38.065 38.460 0.058 0.000 0.989 179 Y HN 0.265 nan 8.280 nan 0.000 0.527 180 F N 1.098 121.083 119.950 0.057 0.000 2.095 180 F HA -0.171 4.355 4.527 -0.003 0.000 0.298 180 F C 1.302 177.018 175.800 -0.140 0.000 1.104 180 F CA 1.444 59.385 58.000 -0.099 0.000 1.232 180 F CB -0.629 38.158 39.000 -0.354 0.000 0.987 180 F HN -0.050 nan 8.300 nan 0.000 0.475 184 Y N 3.175 123.358 120.300 -0.194 0.000 2.081 184 Y HA -0.232 4.317 4.550 -0.002 0.000 0.280 184 Y C 1.793 177.653 175.900 -0.066 0.000 1.163 184 Y CA 2.468 60.500 58.100 -0.114 0.000 1.135 184 Y CB -0.050 38.203 38.460 -0.344 0.000 0.970 184 Y HN 0.156 nan 8.280 nan 0.000 0.498 185 N N -0.691 117.984 118.700 -0.041 0.000 2.188 185 N HA -0.145 4.595 4.740 0.000 0.000 0.184 185 N C 1.767 177.133 175.510 -0.241 0.000 1.018 185 N CA 1.852 54.822 53.050 -0.134 0.000 0.858 185 N CB -0.709 37.752 38.487 -0.043 0.000 0.989 185 N HN 0.397 nan 8.380 nan 0.000 0.426 186 T N 0.918 115.342 114.554 -0.217 0.000 2.746 186 T HA -0.095 4.255 4.350 0.000 0.000 0.267 186 T C 1.605 176.069 174.700 -0.393 0.000 1.039 186 T CA 0.632 62.566 62.100 -0.276 0.000 1.142 186 T CB -0.349 68.394 68.868 -0.209 0.000 0.866 186 T HN 0.170 nan 8.240 nan 0.000 0.444 187 F N 1.731 121.393 119.950 -0.480 0.000 2.134 187 F HA 0.037 4.563 4.527 -0.002 0.000 0.299 187 F C 1.903 177.326 175.800 -0.627 0.000 1.097 187 F CA 0.897 58.559 58.000 -0.563 0.000 1.264 187 F CB -0.544 38.172 39.000 -0.472 0.000 1.001 187 F HN 0.054 nan 8.300 nan 0.000 0.479 188 L N -0.030 120.805 121.223 -0.648 0.000 2.079 188 L HA -0.234 4.106 4.340 0.000 0.000 0.210 188 L C 2.469 178.931 176.870 -0.679 0.000 1.081 188 L CA 1.957 56.408 54.840 -0.648 0.000 0.752 188 L CB -0.833 40.939 42.059 -0.480 0.000 0.896 188 L HN 0.244 nan 8.230 nan 0.000 0.433 189 E N 0.028 119.816 120.200 -0.686 0.000 2.077 189 E HA -0.257 4.093 4.350 0.000 0.000 0.193 189 E C 2.211 177.928 176.600 -1.470 0.000 0.989 189 E CA 1.195 57.102 56.400 -0.822 0.000 0.800 189 E CB 0.090 29.397 29.700 -0.656 0.000 0.746 189 E HN 0.498 nan 8.360 nan 0.000 0.452 190 Q N 0.087 118.930 119.800 -1.596 0.000 2.079 190 Q HA -0.129 4.211 4.340 0.000 0.000 0.200 190 Q C 2.403 177.574 176.000 -1.382 0.000 0.974 190 Q CA 1.228 55.891 55.803 -1.899 0.000 0.840 190 Q CB -0.045 27.556 28.738 -1.895 0.000 0.898 190 Q HN 0.356 nan 8.270 nan 0.000 0.430 191 L N 0.660 121.152 121.223 -1.220 0.000 2.079 191 L HA -0.215 4.126 4.340 0.000 0.000 0.210 191 L C 2.701 179.299 176.870 -0.452 0.000 1.081 191 L CA 1.358 55.742 54.840 -0.760 0.000 0.752 191 L CB -0.690 40.907 42.059 -0.771 0.000 0.896 191 L HN 0.319 nan 8.230 nan 0.000 0.433 192 S N -0.715 114.686 115.700 -0.499 0.000 2.382 192 S HA -0.198 4.273 4.470 0.000 0.000 0.228 192 S C 1.743 176.262 174.600 -0.134 0.000 1.027 192 S CA 0.762 58.792 58.200 -0.284 0.000 0.991 192 S CB -0.542 62.497 63.200 -0.268 0.000 0.823 192 S HN 0.416 nan 8.310 nan 0.000 0.469 193 W N 1.239 122.354 121.300 -0.308 0.000 2.355 193 W HA 0.327 4.989 4.660 0.003 0.000 0.309 193 W C 1.533 177.910 176.519 -0.238 0.000 1.206 193 W CA -0.852 56.284 57.345 -0.348 0.000 1.284 193 W CB -1.638 27.699 29.460 -0.204 0.000 1.145 193 W HN 0.308 nan 8.180 nan 0.000 0.502 197 F N 1.844 121.835 119.950 0.069 0.000 2.816 197 F HA 0.401 4.928 4.527 -0.000 0.000 0.302 197 F C 1.642 177.470 175.800 0.046 0.000 1.178 197 F CA 1.300 59.334 58.000 0.056 0.000 1.421 197 F CB 0.811 39.859 39.000 0.081 0.000 1.114 197 F HN 0.388 nan 8.300 nan 0.000 0.573 198 G N 0.075 108.980 108.800 0.175 0.000 2.141 198 G HA2 -0.221 3.739 3.960 0.000 0.000 0.242 198 G HA3 -0.221 3.739 3.960 0.000 0.000 0.242 198 G C -0.186 174.778 174.900 0.106 0.000 0.982 198 G CA 0.088 45.257 45.100 0.114 0.000 0.662 198 G HN 0.162 nan 8.290 nan 0.000 0.527 199 V N 1.367 121.361 119.914 0.134 0.000 2.384 199 V HA 0.432 4.553 4.120 0.000 0.000 0.287 199 V C 0.109 176.262 176.094 0.098 0.000 1.020 199 V CA -1.112 61.260 62.300 0.119 0.000 0.850 199 V CB 1.799 33.718 31.823 0.161 0.000 0.987 199 V HN 0.348 nan 8.190 nan 0.000 0.436 200 D N 7.141 127.585 120.400 0.072 0.000 2.383 200 D HA 0.224 4.864 4.640 0.000 0.000 0.252 200 D C -1.810 174.533 176.300 0.072 0.000 1.166 200 D CA -0.851 53.187 54.000 0.064 0.000 0.879 200 D CB 1.811 42.643 40.800 0.054 0.000 1.164 200 D HN 0.324 nan 8.370 nan 0.000 0.462 204 V N 5.632 125.523 119.914 -0.040 0.000 2.435 204 V HA 0.602 4.722 4.120 0.000 0.000 0.290 204 V C -0.735 175.357 176.094 -0.004 0.000 1.030 204 V CA -0.481 61.820 62.300 0.002 0.000 0.881 204 V CB 1.883 33.691 31.823 -0.025 0.000 0.983 204 V HN 0.791 nan 8.190 nan 0.000 0.445 205 H N 0.412 119.416 119.070 -0.110 0.000 2.894 205 H HA 0.716 5.272 4.556 0.001 0.000 0.367 205 H C 0.110 175.384 175.328 -0.091 0.000 1.144 205 H CA -0.141 55.879 56.048 -0.046 0.000 1.180 205 H CB 2.103 31.850 29.762 -0.026 0.000 1.758 205 H HN 0.519 nan 8.280 nan 0.000 0.541 206 T N -0.568 114.019 114.554 0.055 0.000 3.051 206 T HA 0.436 4.786 4.350 0.000 0.000 0.254 206 T C 0.771 175.615 174.700 0.240 0.000 0.916 206 T CA 0.287 62.336 62.100 -0.085 0.000 0.894 206 T CB -0.118 68.660 68.868 -0.150 0.000 1.251 206 T HN 0.803 nan 8.240 nan 0.000 0.517 207 A N 3.200 126.264 122.820 0.407 0.000 2.289 207 A HA 0.681 5.002 4.320 0.000 0.000 0.298 207 A C 0.415 178.216 177.584 0.362 0.000 1.208 207 A CA -0.780 51.549 52.037 0.485 0.000 0.845 207 A CB 0.178 19.437 19.000 0.432 0.000 1.125 207 A HN 0.660 nan 8.150 nan 0.000 0.517 208 N N 1.937 120.860 118.700 0.373 0.000 2.381 208 N HA 0.166 4.907 4.740 0.000 0.000 0.289 208 N C 0.983 176.627 175.510 0.223 0.000 1.288 208 N CA 0.100 53.333 53.050 0.305 0.000 0.960 208 N CB -0.423 38.273 38.487 0.348 0.000 1.116 208 N HN 0.283 nan 8.380 nan 0.000 0.557 209 S N -0.760 115.053 115.700 0.187 0.000 2.359 209 S HA -0.168 4.302 4.470 0.000 0.000 0.223 209 S C 1.888 176.509 174.600 0.035 0.000 1.039 209 S CA 1.741 60.001 58.200 0.100 0.000 1.042 209 S CB -0.937 62.314 63.200 0.085 0.000 0.915 209 S HN 0.740 nan 8.310 nan 0.000 0.439 210 A N 1.451 124.298 122.820 0.045 0.000 1.877 210 A HA 0.111 4.432 4.320 0.000 0.000 0.216 210 A C 2.376 179.867 177.584 -0.156 0.000 1.186 210 A CA 1.804 53.800 52.037 -0.069 0.000 0.620 210 A CB -1.182 17.800 19.000 -0.030 0.000 0.822 210 A HN 0.530 nan 8.150 nan 0.000 0.443 211 A N -1.166 121.656 122.820 0.004 0.000 1.902 211 A HA -0.094 4.227 4.320 0.000 0.000 0.217 211 A C 2.312 179.937 177.584 0.068 0.000 1.181 211 A CA 2.331 54.409 52.037 0.068 0.000 0.623 211 A CB -1.319 17.858 19.000 0.294 0.000 0.818 211 A HN 0.422 nan 8.150 nan 0.000 0.443 212 T N 0.343 114.972 114.554 0.126 0.000 2.746 212 T HA -0.073 4.277 4.350 0.000 0.000 0.267 212 T C 1.669 176.460 174.700 0.151 0.000 1.039 212 T CA 1.518 63.725 62.100 0.178 0.000 1.142 212 T CB -0.326 68.655 68.868 0.187 0.000 0.866 212 T HN 0.369 nan 8.240 nan 0.000 0.444 213 L N -0.198 120.993 121.223 -0.053 0.000 2.418 213 L HA 0.135 4.475 4.340 0.000 0.000 0.218 213 L C 2.599 179.323 176.870 -0.242 0.000 1.125 213 L CA 0.832 55.523 54.840 -0.249 0.000 0.835 213 L CB -0.167 41.651 42.059 -0.402 0.000 0.953 213 L HN 0.129 nan 8.230 nan 0.000 0.454 214 R N -1.322 118.956 120.500 -0.370 0.000 2.164 214 R HA 0.220 4.560 4.340 0.000 0.000 0.198 214 R C -0.035 175.942 176.300 -0.539 0.000 1.028 214 R CA 0.198 55.893 56.100 -0.675 0.000 1.083 214 R CB 0.437 29.861 30.300 -1.459 0.000 1.026 214 R HN 0.053 nan 8.270 nan 0.000 0.514 215 F N 1.304 121.207 119.950 -0.078 0.000 2.522 215 F HA 0.333 4.859 4.527 -0.002 0.000 0.324 215 F C 0.430 176.218 175.800 -0.019 0.000 1.077 215 F CA -1.315 56.620 58.000 -0.108 0.000 0.944 215 F CB 1.494 40.342 39.000 -0.253 0.000 1.175 215 F HN -0.272 nan 8.300 nan 0.000 0.468 216 Q N 0.711 120.616 119.800 0.175 0.000 2.260 216 Q HA 0.345 4.685 4.340 0.000 0.000 0.242 216 Q C 0.926 176.942 176.000 0.026 0.000 0.932 216 Q CA 0.433 56.275 55.803 0.065 0.000 0.891 216 Q CB 1.314 30.063 28.738 0.019 0.000 1.222 216 Q HN 1.003 nan 8.270 nan 0.000 0.453 217 G N 1.531 110.322 108.800 -0.016 0.000 2.162 217 G HA2 -0.270 3.691 3.960 0.000 0.000 0.260 217 G HA3 -0.270 3.691 3.960 0.000 0.000 0.260 217 G C 0.374 175.232 174.900 -0.071 0.000 0.976 217 G CA 0.659 45.714 45.100 -0.076 0.000 0.655 217 G HN 0.576 nan 8.290 nan 0.000 0.533 218 I N -1.849 118.773 120.570 0.086 0.000 4.081 218 I HA 0.332 4.502 4.170 0.000 0.000 0.333 218 I C 1.870 178.223 176.117 0.395 0.000 1.413 218 I CA 0.788 62.295 61.300 0.345 0.000 1.110 218 I CB -0.308 38.040 38.000 0.579 0.000 1.082 218 I HN 0.070 nan 8.210 nan 0.000 0.402 219 T N -1.924 112.733 114.554 0.172 0.000 2.904 219 T HA 0.115 4.465 4.350 0.000 0.000 0.267 219 T C 1.038 175.929 174.700 0.317 0.000 1.059 219 T CA 0.736 62.976 62.100 0.233 0.000 1.137 219 T CB -0.678 68.269 68.868 0.132 0.000 0.879 219 T HN 0.246 nan 8.240 nan 0.000 0.467 220 F N 2.276 122.322 119.950 0.160 0.000 3.078 220 F HA -0.370 4.158 4.527 0.001 0.000 0.250 220 F C 1.572 177.421 175.800 0.082 0.000 1.463 220 F CA 1.836 59.912 58.000 0.127 0.000 1.788 220 F CB -1.327 37.763 39.000 0.150 0.000 0.886 220 F HN 0.161 nan 8.300 nan 0.000 0.305 221 N N 0.515 119.364 118.700 0.248 0.000 2.356 221 N HA 0.533 5.273 4.740 0.000 0.000 0.178 221 N C -0.538 175.004 175.510 0.054 0.000 1.075 221 N CA 0.511 53.619 53.050 0.097 0.000 0.889 221 N CB 0.779 39.263 38.487 -0.006 0.000 0.999 221 N HN 0.650 nan 8.380 nan 0.000 0.464 222 A N 0.038 122.898 122.820 0.066 0.000 2.597 222 A HA 0.577 4.897 4.320 0.000 0.000 0.292 222 A C -1.424 176.325 177.584 0.274 0.000 1.057 222 A CA -0.763 51.366 52.037 0.153 0.000 0.674 222 A CB 0.700 19.773 19.000 0.120 0.000 1.278 222 A HN -0.026 nan 8.150 nan 0.000 0.416 223 V N -1.453 118.642 119.914 0.302 0.000 2.960 223 V HA 0.876 4.997 4.120 0.000 0.000 0.315 223 V C -0.522 175.765 176.094 0.321 0.000 1.087 223 V CA -1.074 61.407 62.300 0.301 0.000 0.982 223 V CB 1.877 33.853 31.823 0.256 0.000 1.039 223 V HN 0.862 nan 8.190 nan 0.000 0.437 224 R N 3.500 124.142 120.500 0.237 0.000 2.310 224 R HA 0.621 4.961 4.340 0.000 0.000 0.316 224 R C -1.326 175.070 176.300 0.160 0.000 1.004 224 R CA -0.613 55.583 56.100 0.159 0.000 0.900 224 R CB 1.451 31.738 30.300 -0.023 0.000 1.152 224 R HN 0.615 nan 8.270 nan 0.000 0.513 225 I N 2.596 123.244 120.570 0.130 0.000 2.330 225 I HA 0.272 4.442 4.170 0.000 0.000 0.289 225 I C 0.969 177.079 176.117 -0.012 0.000 1.001 225 I CA -0.045 61.295 61.300 0.067 0.000 1.193 225 I CB 1.130 39.142 38.000 0.020 0.000 1.345 225 I HN 0.761 nan 8.210 nan 0.000 0.461 226 G N 5.112 113.922 108.800 0.017 0.000 2.529 226 G HA2 0.071 4.031 3.960 0.000 0.000 0.220 226 G HA3 0.071 4.031 3.960 0.000 0.000 0.220 226 G C 1.138 175.897 174.900 -0.235 0.000 1.976 226 G CA 0.096 45.100 45.100 -0.159 0.000 0.789 226 G HN 0.434 nan 8.290 nan 0.000 0.695 227 I N 2.004 122.564 120.570 -0.017 0.000 2.248 227 I HA -0.137 4.033 4.170 0.000 0.000 0.248 227 I C 2.898 178.989 176.117 -0.042 0.000 1.107 227 I CA 1.804 63.091 61.300 -0.021 0.000 1.373 227 I CB -0.168 37.709 38.000 -0.206 0.000 1.055 227 I HN 0.227 nan 8.210 nan 0.000 0.418 228 A N -0.366 122.415 122.820 -0.064 0.000 2.015 228 A HA -0.214 4.106 4.320 0.000 0.000 0.219 228 A C 2.421 179.933 177.584 -0.119 0.000 1.163 228 A CA 1.661 53.654 52.037 -0.072 0.000 0.646 228 A CB -0.756 18.206 19.000 -0.063 0.000 0.806 228 A HN 0.591 nan 8.150 nan 0.000 0.448 229 M N -1.377 118.064 119.600 -0.265 0.000 2.159 229 M HA -0.161 4.319 4.480 0.000 0.000 0.263 229 M C 1.221 177.223 176.300 -0.497 0.000 1.063 229 M CA 1.718 56.761 55.300 -0.428 0.000 1.110 229 M CB -0.196 32.007 32.600 -0.662 0.000 1.374 229 M HN 0.483 nan 8.290 nan 0.000 0.411 230 Y N 0.154 120.306 120.300 -0.248 0.000 2.529 230 Y HA 0.283 4.837 4.550 0.006 0.000 0.290 230 Y C 1.588 177.457 175.900 -0.051 0.000 1.177 230 Y CA 0.572 58.522 58.100 -0.250 0.000 1.305 230 Y CB -0.474 37.734 38.460 -0.419 0.000 1.047 230 Y HN 0.518 nan 8.280 nan 0.000 0.522 231 G N 0.295 109.118 108.800 0.040 0.000 2.132 231 G HA2 -0.236 3.724 3.960 0.000 0.000 0.228 231 G HA3 -0.236 3.724 3.960 0.000 0.000 0.228 231 G C -0.345 174.591 174.900 0.059 0.000 1.000 231 G CA -0.046 45.091 45.100 0.061 0.000 0.693 231 G HN 0.264 nan 8.290 nan 0.000 0.515 232 L N 0.270 121.515 121.223 0.036 0.000 2.354 232 L HA 0.732 5.072 4.340 0.000 0.000 0.269 232 L C 0.699 177.552 176.870 -0.029 0.000 1.005 232 L CA -0.975 53.876 54.840 0.017 0.000 0.819 232 L CB 2.051 44.120 42.059 0.016 0.000 1.311 232 L HN 0.159 nan 8.230 nan 0.000 0.423 233 S N 1.488 117.176 115.700 -0.021 0.000 2.548 233 S HA 0.239 4.709 4.470 0.000 0.000 0.277 233 S C -1.607 172.991 174.600 -0.004 0.000 1.315 233 S CA -1.091 57.092 58.200 -0.028 0.000 1.050 233 S CB 1.088 64.278 63.200 -0.016 0.000 0.918 233 S HN 0.393 nan 8.310 nan 0.000 0.497 234 P HA -0.041 nan 4.420 nan 0.000 0.217 234 P C -0.080 177.328 177.300 0.180 0.000 1.148 234 P CA 0.872 64.063 63.100 0.151 0.000 0.828 234 P CB 0.095 31.877 31.700 0.137 0.000 0.783 235 S N -3.821 111.929 115.700 0.083 0.000 2.565 235 S HA 0.289 4.759 4.470 0.000 0.000 0.269 235 S C 0.787 175.414 174.600 0.045 0.000 1.153 235 S CA -0.296 57.947 58.200 0.072 0.000 0.835 235 S CB 1.117 64.347 63.200 0.049 0.000 1.122 235 S HN -0.111 nan 8.310 nan 0.000 0.462 236 V N -0.388 119.556 119.914 0.049 0.000 2.358 236 V HA -0.112 4.008 4.120 0.000 0.000 0.246 236 V C 2.393 178.520 176.094 0.055 0.000 1.047 236 V CA 2.015 64.344 62.300 0.048 0.000 1.035 236 V CB -1.595 30.258 31.823 0.050 0.000 0.658 236 V HN 1.044 nan 8.190 nan 0.000 0.452 237 E N 2.387 122.613 120.200 0.045 0.000 2.153 237 E HA -0.216 4.134 4.350 0.000 0.000 0.194 237 E C 2.142 178.792 176.600 0.083 0.000 0.988 237 E CA 2.030 58.464 56.400 0.057 0.000 0.811 237 E CB -0.609 29.099 29.700 0.013 0.000 0.746 237 E HN 0.844 nan 8.360 nan 0.000 0.466 238 I N -1.970 118.608 120.570 0.013 0.000 3.793 238 I HA 0.188 4.358 4.170 0.000 0.000 0.315 238 I C 2.423 178.636 176.117 0.161 0.000 1.275 238 I CA -0.251 61.050 61.300 0.001 0.000 1.214 238 I CB 0.003 37.889 38.000 -0.191 0.000 1.018 238 I HN -0.116 nan 8.210 nan 0.000 0.439 239 R N 2.399 122.959 120.500 0.100 0.000 2.103 239 R HA -0.073 4.268 4.340 0.000 0.000 0.242 239 R C -0.363 175.954 176.300 0.027 0.000 1.142 239 R CA 2.186 58.309 56.100 0.037 0.000 0.960 239 R CB -1.198 29.115 30.300 0.022 0.000 0.858 239 R HN 0.376 nan 8.270 nan 0.000 0.439 240 P HA -0.125 nan 4.420 nan 0.000 0.225 240 P C 0.365 177.536 177.300 -0.215 0.000 1.148 240 P CA 1.182 64.215 63.100 -0.112 0.000 0.779 240 P CB -0.025 31.552 31.700 -0.206 0.000 0.780 241 F N -0.646 119.230 119.950 -0.125 0.000 2.776 241 F HA 0.165 4.690 4.527 -0.002 0.000 0.300 241 F C 1.457 177.134 175.800 -0.205 0.000 1.116 241 F CA -0.211 57.699 58.000 -0.149 0.000 1.375 241 F CB -0.657 38.244 39.000 -0.166 0.000 1.109 241 F HN -0.248 nan 8.300 nan 0.000 0.585 242 L N 3.201 124.377 121.223 -0.079 0.000 2.453 242 L HA 0.070 4.410 4.340 0.000 0.000 0.272 242 L C -0.730 175.956 176.870 -0.307 0.000 1.182 242 L CA -1.263 53.419 54.840 -0.263 0.000 0.858 242 L CB 0.273 42.147 42.059 -0.310 0.000 1.120 242 L HN -0.084 nan 8.230 nan 0.000 0.474 243 P HA -0.071 nan 4.420 nan 0.000 0.225 243 P C -0.267 176.965 177.300 -0.113 0.000 1.156 243 P CA 1.098 64.038 63.100 -0.267 0.000 0.787 243 P CB 0.136 31.589 31.700 -0.412 0.000 0.802 247 E N 2.990 123.253 120.200 0.104 0.000 2.063 247 E HA 0.339 4.689 4.350 0.000 0.000 0.265 247 E C -2.504 174.150 176.600 0.091 0.000 0.919 247 E CA -1.848 54.601 56.400 0.083 0.000 0.756 247 E CB 1.333 31.090 29.700 0.094 0.000 1.120 247 E HN 0.185 nan 8.360 nan 0.000 0.414 248 P HA -0.079 nan 4.420 nan 0.000 0.264 248 P C -0.104 177.304 177.300 0.180 0.000 1.193 248 P CA 0.337 63.532 63.100 0.159 0.000 0.763 248 P CB 1.027 32.856 31.700 0.215 0.000 0.810 249 A N 4.148 127.108 122.820 0.234 0.000 2.115 249 A HA 0.142 4.462 4.320 0.000 0.000 0.211 249 A C 0.641 178.354 177.584 0.215 0.000 1.169 249 A CA 0.498 52.685 52.037 0.251 0.000 0.787 249 A CB -0.300 18.893 19.000 0.322 0.000 0.858 249 A HN 0.522 nan 8.150 nan 0.000 0.474 250 L N 1.157 122.481 121.223 0.168 0.000 2.329 250 L HA 0.624 4.964 4.340 0.000 0.000 0.279 250 L C -0.390 176.432 176.870 -0.080 0.000 1.014 250 L CA -0.335 54.461 54.840 -0.073 0.000 0.814 250 L CB 2.012 43.832 42.059 -0.398 0.000 1.257 250 L HN 0.267 nan 8.230 nan 0.000 0.424 251 S N 4.432 120.039 115.700 -0.156 0.000 2.627 251 S HA 0.797 5.267 4.470 0.000 0.000 0.283 251 S C -1.250 173.034 174.600 -0.526 0.000 1.127 251 S CA -0.858 57.166 58.200 -0.294 0.000 0.863 251 S CB 2.068 65.180 63.200 -0.148 0.000 1.121 251 S HN 0.617 nan 8.310 nan 0.000 0.479 252 L N 1.904 122.629 121.223 -0.831 0.000 2.439 252 L HA 0.650 4.990 4.340 0.000 0.000 0.270 252 L C -1.454 174.730 176.870 -1.144 0.000 0.972 252 L CA -0.053 54.308 54.840 -0.798 0.000 0.836 252 L CB 1.507 43.292 42.059 -0.457 0.000 1.255 252 L HN 0.961 nan 8.230 nan 0.000 0.404 253 H N 2.291 120.846 119.070 -0.858 0.000 2.865 253 H HA 0.731 5.287 4.556 0.000 0.000 0.372 253 H C -0.984 173.786 175.328 -0.931 0.000 1.173 253 H CA -0.603 54.842 56.048 -1.004 0.000 1.147 253 H CB 2.464 31.325 29.762 -1.503 0.000 1.805 253 H HN 0.616 nan 8.280 nan 0.000 0.553 257 A N 3.100 125.929 122.820 0.014 0.000 2.085 257 A HA 0.444 4.765 4.320 0.000 0.000 0.208 257 A C 0.465 178.126 177.584 0.129 0.000 1.191 257 A CA 1.097 53.163 52.037 0.047 0.000 0.799 257 A CB 0.141 19.151 19.000 0.016 0.000 0.877 257 A HN 1.041 nan 8.150 nan 0.000 0.473 258 H N -1.937 117.131 119.070 -0.003 0.000 3.012 258 H HA 0.686 5.242 4.556 0.000 0.000 0.367 258 H C -1.887 173.470 175.328 0.048 0.000 1.211 258 H CA -1.412 54.649 56.048 0.022 0.000 1.139 258 H CB 1.515 31.289 29.762 0.019 0.000 1.838 258 H HN 0.137 nan 8.280 nan 0.000 0.550 259 I N 3.269 123.567 120.570 -0.454 0.000 2.607 259 I HA 0.450 4.620 4.170 0.000 0.000 0.290 259 I C -1.797 174.113 176.117 -0.344 0.000 1.129 259 I CA -0.277 60.873 61.300 -0.250 0.000 1.042 259 I CB 1.286 39.260 38.000 -0.044 0.000 1.242 259 I HN 0.786 nan 8.210 nan 0.000 0.421 260 K N 4.884 125.234 120.400 -0.083 0.000 2.556 260 K HA 0.517 4.838 4.320 0.000 0.000 0.274 260 K C -1.540 175.000 176.600 -0.100 0.000 0.966 260 K CA -0.971 55.284 56.287 -0.054 0.000 0.865 260 K CB 1.587 34.010 32.500 -0.128 0.000 1.444 260 K HN 0.538 nan 8.250 nan 0.000 0.433 261 Q N 1.799 121.358 119.800 -0.403 0.000 2.340 261 Q HA 0.349 4.690 4.340 0.000 0.000 0.259 261 Q C -1.322 174.464 176.000 -0.357 0.000 0.964 261 Q CA -0.850 54.505 55.803 -0.745 0.000 0.900 261 Q CB 1.667 29.707 28.738 -1.163 0.000 1.228 261 Q HN 0.485 nan 8.270 nan 0.000 0.449 262 V N 6.188 125.940 119.914 -0.270 0.000 2.398 262 V HA 0.270 4.390 4.120 0.000 0.000 0.286 262 V C 0.657 176.663 176.094 -0.146 0.000 1.026 262 V CA -0.802 61.411 62.300 -0.145 0.000 0.868 262 V CB 1.077 32.855 31.823 -0.075 0.000 0.982 262 V HN 0.751 nan 8.190 nan 0.000 0.443 266 D N 0.985 121.349 120.400 -0.061 0.000 2.339 266 D HA 0.515 5.155 4.640 0.000 0.000 0.245 266 D C 0.896 177.184 176.300 -0.020 0.000 1.115 266 D CA 0.692 54.671 54.000 -0.034 0.000 0.917 266 D CB 1.472 42.257 40.800 -0.026 0.000 1.192 266 D HN 0.225 nan 8.370 nan 0.000 0.428 267 G N 0.822 109.625 108.800 0.006 0.000 2.420 267 G HA2 0.492 4.452 3.960 0.000 0.000 0.284 267 G HA3 0.492 4.452 3.960 0.000 0.000 0.284 267 G C -0.603 174.344 174.900 0.079 0.000 1.177 267 G CA -0.406 44.718 45.100 0.040 0.000 0.841 267 G HN 0.347 nan 8.290 nan 0.000 0.527 268 I N 1.237 121.893 120.570 0.143 0.000 2.410 268 I HA 0.454 4.624 4.170 0.000 0.000 0.286 268 I C 0.552 176.729 176.117 0.099 0.000 1.009 268 I CA -0.114 61.267 61.300 0.134 0.000 1.111 268 I CB 0.410 38.525 38.000 0.191 0.000 1.262 268 I HN 0.782 nan 8.210 nan 0.000 0.443 269 S N 4.563 120.276 115.700 0.021 0.000 3.845 269 S HA -0.202 4.269 4.470 0.000 0.000 0.641 269 S C -0.561 174.033 174.600 -0.011 0.000 1.900 269 S CA -0.110 58.062 58.200 -0.047 0.000 2.062 269 S CB -0.502 62.716 63.200 0.031 0.000 0.327 269 S HN 0.400 nan 8.310 nan 0.000 1.788 270 Y N 2.708 123.066 120.300 0.098 0.000 2.712 270 Y HA 0.127 4.677 4.550 0.000 0.000 0.333 270 Y C 1.693 177.639 175.900 0.077 0.000 1.225 270 Y CA 1.329 59.479 58.100 0.084 0.000 1.499 270 Y CB -0.200 38.315 38.460 0.092 0.000 1.288 270 Y HN 0.799 nan 8.280 nan 0.000 0.575 271 N N -1.371 117.473 118.700 0.241 0.000 2.778 271 N HA -0.237 4.503 4.740 0.000 0.000 0.249 271 N C -0.466 175.112 175.510 0.114 0.000 1.069 271 N CA 0.597 53.736 53.050 0.148 0.000 0.831 271 N CB -1.302 37.263 38.487 0.130 0.000 1.142 271 N HN 0.386 nan 8.380 nan 0.000 0.573 272 V N -1.617 118.365 119.914 0.112 0.000 5.691 272 V HA -0.311 3.809 4.120 0.000 0.000 0.288 272 V C 1.793 177.943 176.094 0.094 0.000 0.615 272 V CA 1.897 64.251 62.300 0.090 0.000 0.619 272 V CB -2.657 29.201 31.823 0.058 0.000 0.296 272 V HN 0.724 nan 8.190 nan 0.000 0.834 273 T N -3.514 111.117 114.554 0.128 0.000 3.088 273 T HA 0.084 4.434 4.350 0.000 0.000 0.259 273 T C 0.149 174.953 174.700 0.173 0.000 1.122 273 T CA 1.153 63.331 62.100 0.130 0.000 1.095 273 T CB 0.124 69.073 68.868 0.136 0.000 0.930 273 T HN 0.883 nan 8.240 nan 0.000 0.508 274 Y N 0.995 121.320 120.300 0.041 0.000 2.442 274 Y HA 0.650 5.201 4.550 0.001 0.000 0.344 274 Y C -0.639 175.267 175.900 0.010 0.000 0.976 274 Y CA -1.609 56.508 58.100 0.028 0.000 1.040 274 Y CB 1.501 39.983 38.460 0.037 0.000 1.228 274 Y HN -0.076 nan 8.280 nan 0.000 0.451 275 R N 2.803 122.991 120.500 -0.519 0.000 2.686 275 R HA 0.441 4.782 4.340 0.000 0.000 0.286 275 R C -0.343 175.550 176.300 -0.678 0.000 0.969 275 R CA -0.815 55.048 56.100 -0.395 0.000 0.898 275 R CB 1.979 32.151 30.300 -0.213 0.000 1.183 275 R HN 0.851 nan 8.270 nan 0.000 0.456 279 E N 1.004 121.151 120.200 -0.089 0.000 2.292 279 E HA 0.219 4.570 4.350 0.000 0.000 0.265 279 E C -0.471 176.022 176.600 -0.178 0.000 1.093 279 E CA 0.241 56.550 56.400 -0.151 0.000 0.922 279 E CB 0.262 29.861 29.700 -0.167 0.000 1.001 279 E HN 0.402 nan 8.360 nan 0.000 0.444 280 E N 3.309 123.383 120.200 -0.210 0.000 2.227 280 E HA 0.210 4.560 4.350 0.000 0.000 0.268 280 E C -1.160 175.316 176.600 -0.207 0.000 0.907 280 E CA -0.807 55.507 56.400 -0.144 0.000 0.786 280 E CB 1.127 30.687 29.700 -0.233 0.000 1.191 280 E HN 0.402 nan 8.360 nan 0.000 0.411 281 W N 3.081 124.455 121.300 0.123 0.000 2.388 281 W HA 0.235 4.895 4.660 0.001 0.000 0.308 281 W C -0.365 176.226 176.519 0.119 0.000 1.263 281 W CA -0.379 57.020 57.345 0.091 0.000 1.286 281 W CB 0.514 30.022 29.460 0.079 0.000 1.294 281 W HN 0.162 nan 8.180 nan 0.000 0.493 282 I N 4.076 124.795 120.570 0.248 0.000 2.418 282 I HA 0.448 4.619 4.170 0.000 0.000 0.287 282 I C 0.245 176.428 176.117 0.110 0.000 1.008 282 I CA -1.195 60.198 61.300 0.155 0.000 1.104 282 I CB 0.619 38.663 38.000 0.073 0.000 1.264 282 I HN 0.429 nan 8.210 nan 0.000 0.438 283 A N 5.083 127.962 122.820 0.099 0.000 2.306 283 A HA 0.867 5.187 4.320 0.000 0.000 0.330 283 A C -0.070 177.535 177.584 0.036 0.000 1.146 283 A CA -0.341 51.722 52.037 0.045 0.000 0.827 283 A CB 0.889 19.909 19.000 0.033 0.000 1.178 283 A HN 0.662 nan 8.150 nan 0.000 0.490 284 T N 1.046 115.611 114.554 0.018 0.000 2.841 284 T HA 0.603 4.954 4.350 0.000 0.000 0.283 284 T C -0.301 174.338 174.700 -0.102 0.000 1.000 284 T CA -0.334 61.757 62.100 -0.016 0.000 0.977 284 T CB 1.278 70.179 68.868 0.054 0.000 0.979 284 T HN 1.325 nan 8.240 nan 0.000 0.446 285 V N -0.434 119.316 119.914 -0.273 0.000 2.914 285 V HA 0.951 5.071 4.120 0.000 0.000 0.314 285 V C 0.063 175.952 176.094 -0.341 0.000 1.084 285 V CA -1.450 60.643 62.300 -0.346 0.000 0.963 285 V CB 1.577 33.066 31.823 -0.557 0.000 1.025 285 V HN 0.995 nan 8.190 nan 0.000 0.432 286 A N 4.602 127.293 122.820 -0.215 0.000 3.126 286 A HA 0.741 5.062 4.320 0.000 0.000 0.268 286 A C -0.196 177.294 177.584 -0.156 0.000 1.605 286 A CA -0.063 51.892 52.037 -0.137 0.000 1.305 286 A CB -1.083 17.891 19.000 -0.044 0.000 1.160 286 A HN 1.157 nan 8.150 nan 0.000 0.609 287 I N -0.118 120.307 120.570 -0.242 0.000 2.775 287 I HA 0.707 4.877 4.170 0.000 0.000 0.295 287 I C 0.036 176.147 176.117 -0.009 0.000 1.287 287 I CA -0.349 60.864 61.300 -0.146 0.000 1.029 287 I CB 2.181 40.048 38.000 -0.221 0.000 1.282 287 I HN 0.460 nan 8.210 nan 0.000 0.426 288 G N 3.713 112.579 108.800 0.110 0.000 2.815 288 G HA2 0.196 4.156 3.960 0.000 0.000 0.305 288 G HA3 0.196 4.156 3.960 0.000 0.000 0.305 288 G C -0.505 174.535 174.900 0.235 0.000 1.277 288 G CA 0.059 45.289 45.100 0.217 0.000 0.795 288 G HN 0.700 nan 8.290 nan 0.000 0.528 289 Y N -0.878 119.568 120.300 0.244 0.000 2.421 289 Y HA 0.315 4.865 4.550 0.000 0.000 0.292 289 Y C 2.540 178.523 175.900 0.139 0.000 1.136 289 Y CA 1.314 59.521 58.100 0.178 0.000 1.255 289 Y CB -0.824 37.706 38.460 0.118 0.000 0.991 289 Y HN 0.376 nan 8.280 nan 0.000 0.552 290 A N 0.806 123.634 122.820 0.014 0.000 2.070 290 A HA -0.141 4.179 4.320 0.000 0.000 0.220 290 A C 1.600 179.258 177.584 0.122 0.000 1.159 290 A CA 1.589 53.678 52.037 0.086 0.000 0.656 290 A CB -0.647 18.349 19.000 -0.006 0.000 0.800 290 A HN 0.568 nan 8.150 nan 0.000 0.453 291 D N -1.315 119.165 120.400 0.133 0.000 2.340 291 D HA 0.209 4.849 4.640 0.000 0.000 0.220 291 D C 1.348 177.760 176.300 0.188 0.000 1.039 291 D CA 1.039 55.127 54.000 0.147 0.000 0.866 291 D CB 0.241 41.113 40.800 0.119 0.000 0.913 291 D HN 0.598 nan 8.370 nan 0.000 0.523 292 G N 0.824 109.753 108.800 0.215 0.000 2.176 292 G HA2 -0.227 3.733 3.960 0.000 0.000 0.232 292 G HA3 -0.227 3.733 3.960 0.000 0.000 0.232 292 G C -0.112 174.916 174.900 0.214 0.000 0.986 292 G CA -0.262 44.951 45.100 0.188 0.000 0.643 292 G HN 0.343 nan 8.290 nan 0.000 0.522 293 W N 3.296 124.650 121.300 0.090 0.000 2.360 293 W HA 0.621 5.280 4.660 -0.000 0.000 0.344 293 W C 0.070 176.656 176.519 0.112 0.000 1.025 293 W CA -0.621 56.768 57.345 0.073 0.000 1.480 293 W CB -0.175 29.359 29.460 0.123 0.000 1.350 293 W HN 0.075 nan 8.180 nan 0.000 0.382 294 L N 5.133 126.244 121.223 -0.187 0.000 2.456 294 L HA 0.265 4.605 4.340 0.000 0.000 0.257 294 L C 1.871 178.699 176.870 -0.072 0.000 1.162 294 L CA -0.525 54.281 54.840 -0.056 0.000 0.808 294 L CB 0.624 42.610 42.059 -0.121 0.000 1.136 294 L HN 0.378 nan 8.230 nan 0.000 0.466 295 R N 0.524 121.020 120.500 -0.006 0.000 2.127 295 R HA -0.170 4.170 4.340 0.000 0.000 0.238 295 R C 2.032 178.313 176.300 -0.032 0.000 1.134 295 R CA 1.558 57.666 56.100 0.014 0.000 0.975 295 R CB -0.335 29.946 30.300 -0.032 0.000 0.865 295 R HN 0.558 nan 8.270 nan 0.000 0.447 296 R N 0.756 121.207 120.500 -0.083 0.000 2.328 296 R HA -0.075 4.265 4.340 0.000 0.000 0.207 296 R C 1.276 177.565 176.300 -0.017 0.000 1.056 296 R CA 1.047 57.108 56.100 -0.065 0.000 1.016 296 R CB -0.321 29.918 30.300 -0.101 0.000 0.872 296 R HN 0.238 nan 8.270 nan 0.000 0.471 297 L N 1.199 122.331 121.223 -0.152 0.000 2.591 297 L HA 0.081 4.421 4.340 0.000 0.000 0.228 297 L C 0.965 177.801 176.870 -0.058 0.000 1.133 297 L CA -0.084 54.631 54.840 -0.209 0.000 0.880 297 L CB -0.146 41.461 42.059 -0.754 0.000 1.033 297 L HN 0.311 nan 8.230 nan 0.000 0.450 298 Q N 0.534 120.349 119.800 0.025 0.000 2.283 298 Q HA 0.067 4.408 4.340 0.000 0.000 0.301 298 Q C 1.268 177.353 176.000 0.142 0.000 1.063 298 Q CA 1.139 56.977 55.803 0.058 0.000 0.952 298 Q CB 0.360 29.148 28.738 0.084 0.000 1.166 298 Q HN 0.399 nan 8.270 nan 0.000 0.381 299 G N 3.415 112.253 108.800 0.063 0.000 2.225 299 G HA2 -0.336 3.624 3.960 0.000 0.000 0.254 299 G HA3 -0.336 3.624 3.960 0.000 0.000 0.254 299 G C -0.159 174.691 174.900 -0.082 0.000 0.988 299 G CA 0.034 45.190 45.100 0.092 0.000 0.625 299 G HN 0.652 nan 8.290 nan 0.000 0.527 300 F N 2.415 122.026 119.950 -0.564 0.000 2.496 300 F HA 0.505 5.032 4.527 0.000 0.000 0.344 300 F C 0.740 176.342 175.800 -0.330 0.000 1.155 300 F CA -0.097 57.409 58.000 -0.823 0.000 1.302 300 F CB 0.581 39.058 39.000 -0.872 0.000 1.159 300 F HN 0.192 nan 8.300 nan 0.000 0.595 301 E N 4.329 123.929 120.200 -0.999 0.000 2.134 301 E HA 0.420 4.770 4.350 0.000 0.000 0.278 301 E C -0.704 175.559 176.600 -0.562 0.000 0.959 301 E CA -0.807 55.239 56.400 -0.589 0.000 0.783 301 E CB 1.753 31.178 29.700 -0.459 0.000 1.095 301 E HN 0.523 nan 8.360 nan 0.000 0.399 302 V N 0.894 120.693 119.914 -0.191 0.000 3.302 302 V HA 0.539 4.659 4.120 0.000 0.000 0.316 302 V C -0.200 175.843 176.094 -0.085 0.000 1.111 302 V CA -0.987 61.274 62.300 -0.065 0.000 1.029 302 V CB 0.898 32.754 31.823 0.054 0.000 1.170 302 V HN 0.504 nan 8.190 nan 0.000 0.452 303 L N 1.518 122.702 121.223 -0.064 0.000 2.296 303 L HA 0.704 5.044 4.340 0.000 0.000 0.286 303 L C -0.971 175.874 176.870 -0.043 0.000 1.023 303 L CA -0.601 54.204 54.840 -0.058 0.000 0.812 303 L CB 1.681 43.710 42.059 -0.051 0.000 1.223 303 L HN 0.517 nan 8.230 nan 0.000 0.421 304 V N 2.916 122.804 119.914 -0.042 0.000 2.569 304 V HA 0.305 4.425 4.120 0.000 0.000 0.301 304 V C -0.159 175.910 176.094 -0.041 0.000 1.044 304 V CA -0.837 61.439 62.300 -0.039 0.000 0.874 304 V CB 1.571 33.371 31.823 -0.039 0.000 1.002 304 V HN 0.850 nan 8.190 nan 0.000 0.424 305 N N 3.530 122.208 118.700 -0.036 0.000 2.727 305 N HA -0.176 4.564 4.740 0.000 0.000 0.249 305 N C 0.610 176.102 175.510 -0.030 0.000 1.048 305 N CA 1.811 54.840 53.050 -0.035 0.000 0.714 305 N CB -0.805 37.654 38.487 -0.048 0.000 0.959 305 N HN 1.743 nan 8.380 nan 0.000 0.544 309 V N -0.071 119.774 119.914 -0.115 0.000 2.760 309 V HA 0.780 4.900 4.120 0.000 0.000 0.309 309 V C -2.685 173.356 176.094 -0.088 0.000 1.077 309 V CA -2.421 59.822 62.300 -0.096 0.000 0.910 309 V CB 2.201 33.982 31.823 -0.070 0.000 1.008 309 V HN 0.543 nan 8.190 nan 0.000 0.424 310 P HA 0.479 nan 4.420 nan 0.000 0.284 310 P C -0.248 177.035 177.300 -0.028 0.000 1.253 310 P CA -0.375 62.688 63.100 -0.062 0.000 0.800 310 P CB 1.341 33.029 31.700 -0.021 0.000 0.961 311 I N 2.786 123.325 120.570 -0.051 0.000 2.533 311 I HA 0.075 4.245 4.170 0.000 0.000 0.284 311 I C 0.808 176.874 176.117 -0.085 0.000 1.109 311 I CA -0.081 61.187 61.300 -0.054 0.000 1.412 311 I CB 0.503 38.388 38.000 -0.192 0.000 1.396 311 I HN 0.157 nan 8.210 nan 0.000 0.543 312 V N 3.399 123.230 119.914 -0.139 0.000 2.680 312 V HA 1.010 5.131 4.120 0.000 0.000 0.309 312 V C 0.256 176.228 176.094 -0.203 0.000 1.052 312 V CA -0.222 61.844 62.300 -0.391 0.000 0.908 312 V CB 0.958 32.135 31.823 -1.077 0.000 1.001 312 V HN 1.100 nan 8.190 nan 0.000 0.431 313 G N 2.983 111.734 108.800 -0.081 0.000 2.860 313 G HA2 -0.137 3.823 3.960 0.000 0.000 0.553 313 G HA3 -0.137 3.823 3.960 0.000 0.000 0.553 313 G C -0.278 174.690 174.900 0.113 0.000 1.439 313 G CA -0.465 44.689 45.100 0.089 0.000 0.879 313 G HN 1.099 nan 8.290 nan 0.000 0.545 314 R N -0.726 119.869 120.500 0.159 0.000 2.585 314 R HA 0.226 4.567 4.340 0.000 0.000 0.275 314 R C 0.788 177.231 176.300 0.238 0.000 1.018 314 R CA -0.279 55.942 56.100 0.202 0.000 1.072 314 R CB 0.420 30.887 30.300 0.278 0.000 0.953 314 R HN 0.513 nan 8.270 nan 0.000 0.419 315 V N 3.697 123.763 119.914 0.255 0.000 2.572 315 V HA 0.020 4.140 4.120 0.000 0.000 0.291 315 V C 1.328 177.685 176.094 0.438 0.000 1.039 315 V CA 0.171 62.679 62.300 0.346 0.000 1.055 315 V CB 1.064 33.087 31.823 0.334 0.000 0.969 315 V HN 0.931 nan 8.190 nan 0.000 0.482 316 T N 1.947 116.718 114.554 0.362 0.000 2.893 316 T HA 0.379 4.730 4.350 0.000 0.000 0.279 316 T C 1.114 175.738 174.700 -0.127 0.000 0.991 316 T CA -0.432 61.854 62.100 0.310 0.000 0.950 316 T CB 1.055 70.074 68.868 0.252 0.000 1.223 316 T HN 0.489 nan 8.240 nan 0.000 0.585 317 M N 0.293 119.651 119.600 -0.403 0.000 2.159 317 M HA -0.058 4.422 4.480 0.000 0.000 0.263 317 M C 0.350 176.399 176.300 -0.418 0.000 1.063 317 M CA 1.919 56.652 55.300 -0.944 0.000 1.110 317 M CB -0.122 32.202 32.600 -0.461 0.000 1.374 317 M HN 0.636 nan 8.290 nan 0.000 0.411 318 D N -0.907 119.396 120.400 -0.161 0.000 2.520 318 D HA 0.184 4.824 4.640 0.000 0.000 0.223 318 D C -0.348 175.927 176.300 -0.042 0.000 1.186 318 D CA 0.130 54.087 54.000 -0.071 0.000 0.821 318 D CB 0.749 41.523 40.800 -0.043 0.000 1.072 318 D HN 0.434 nan 8.370 nan 0.000 0.518 319 Q N 0.168 119.964 119.800 -0.008 0.000 2.435 319 Q HA 0.532 4.873 4.340 0.000 0.000 0.282 319 Q C -1.276 174.788 176.000 0.106 0.000 1.020 319 Q CA -0.939 54.843 55.803 -0.035 0.000 0.820 319 Q CB 2.871 31.593 28.738 -0.028 0.000 1.436 319 Q HN 0.099 nan 8.270 nan 0.000 0.395 320 F N -1.354 118.614 119.950 0.030 0.000 2.662 320 F HA 0.853 5.381 4.527 0.000 0.000 0.312 320 F C -1.548 174.267 175.800 0.025 0.000 1.113 320 F CA -1.350 56.683 58.000 0.055 0.000 0.951 320 F CB 1.316 40.387 39.000 0.118 0.000 1.344 320 F HN 0.363 nan 8.300 nan 0.000 0.462 321 M N 2.460 122.293 119.600 0.388 0.000 2.644 321 M HA 0.677 5.157 4.480 0.000 0.000 0.316 321 M C -1.108 175.339 176.300 0.244 0.000 1.200 321 M CA -0.596 54.830 55.300 0.209 0.000 0.944 321 M CB 2.124 34.783 32.600 0.097 0.000 1.691 321 M HN 0.579 nan 8.290 nan 0.000 0.471 322 I N -0.038 120.623 120.570 0.152 0.000 2.619 322 I HA 0.288 4.459 4.170 0.000 0.000 0.292 322 I C -0.852 175.346 176.117 0.135 0.000 1.100 322 I CA -0.672 60.710 61.300 0.136 0.000 1.043 322 I CB 2.122 40.212 38.000 0.150 0.000 1.239 322 I HN 0.626 nan 8.210 nan 0.000 0.420 323 H N 6.647 125.710 119.070 -0.012 0.000 2.652 323 H HA 0.526 5.082 4.556 0.001 0.000 0.298 323 H C -1.330 174.037 175.328 0.066 0.000 1.076 323 H CA -0.638 55.431 56.048 0.035 0.000 1.360 323 H CB 0.843 30.622 29.762 0.029 0.000 1.421 323 H HN 0.436 nan 8.280 nan 0.000 0.464 324 L N 7.320 128.666 121.223 0.206 0.000 2.344 324 L HA 0.270 4.611 4.340 0.000 0.000 0.272 324 L C -1.283 175.592 176.870 0.008 0.000 1.035 324 L CA -2.144 52.716 54.840 0.032 0.000 0.807 324 L CB 1.896 43.992 42.059 0.061 0.000 1.237 324 L HN 0.644 nan 8.230 nan 0.000 0.442 325 P HA -0.021 nan 4.420 nan 0.000 0.229 325 P C -0.113 177.238 177.300 0.086 0.000 1.160 325 P CA 0.423 63.523 63.100 -0.000 0.000 0.777 325 P CB 0.099 31.769 31.700 -0.050 0.000 0.814 326 C N -3.217 116.046 119.300 -0.063 0.000 3.321 326 C HA 0.540 5.000 4.460 0.000 0.000 0.329 326 C C -0.177 174.336 174.990 -0.795 0.000 1.394 326 C CA -1.538 57.268 59.018 -0.354 0.000 1.291 326 C CB 1.087 28.695 27.740 -0.220 0.000 1.606 326 C HN 0.106 nan 8.230 nan 0.000 0.463 327 E N 0.659 120.018 120.200 -1.403 0.000 2.384 327 E HA 0.454 4.804 4.350 0.000 0.000 0.266 327 E C -0.080 176.161 176.600 -0.599 0.000 1.012 327 E CA -0.106 55.461 56.400 -1.389 0.000 0.901 327 E CB 0.895 29.675 29.700 -1.532 0.000 0.967 327 E HN 1.057 nan 8.360 nan 0.000 0.435 328 V N 1.666 121.340 119.914 -0.400 0.000 3.001 328 V HA 0.679 4.800 4.120 0.000 0.000 0.314 328 V C -2.583 173.414 176.094 -0.162 0.000 1.099 328 V CA -2.170 59.996 62.300 -0.223 0.000 0.989 328 V CB 1.465 33.199 31.823 -0.149 0.000 1.040 328 V HN 0.657 nan 8.190 nan 0.000 0.434 329 P HA 0.338 nan 4.420 nan 0.000 0.274 329 P C -0.176 177.102 177.300 -0.037 0.000 1.237 329 P CA -0.427 62.634 63.100 -0.064 0.000 0.793 329 P CB 0.695 32.365 31.700 -0.049 0.000 0.977 330 L N 0.819 122.036 121.223 -0.010 0.000 2.514 330 L HA 0.154 4.495 4.340 0.000 0.000 0.280 330 L C 1.866 178.740 176.870 0.005 0.000 1.223 330 L CA 1.195 56.041 54.840 0.011 0.000 0.864 330 L CB -0.874 41.206 42.059 0.035 0.000 1.118 330 L HN 0.883 nan 8.230 nan 0.000 0.494 331 G N 1.390 110.198 108.800 0.014 0.000 2.217 331 G HA2 -0.269 3.692 3.960 0.000 0.000 0.246 331 G HA3 -0.269 3.692 3.960 0.000 0.000 0.246 331 G C 0.497 175.410 174.900 0.022 0.000 0.990 331 G CA 0.220 45.332 45.100 0.020 0.000 0.627 331 G HN 0.606 nan 8.290 nan 0.000 0.522 335 T N 5.299 119.809 114.554 -0.074 0.000 2.792 335 T HA 0.598 4.948 4.350 0.000 0.000 0.280 335 T C 0.325 174.909 174.700 -0.193 0.000 0.990 335 T CA -0.217 61.816 62.100 -0.113 0.000 0.960 335 T CB 1.771 70.651 68.868 0.020 0.000 0.939 335 T HN 0.405 nan 8.240 nan 0.000 0.439 336 L N 3.143 124.165 121.223 -0.335 0.000 2.362 336 L HA 0.507 4.847 4.340 0.000 0.000 0.204 336 L C 0.284 177.094 176.870 -0.101 0.000 1.060 336 L CA 1.005 55.677 54.840 -0.280 0.000 0.827 336 L CB 0.143 41.766 42.059 -0.727 0.000 1.027 336 L HN 0.586 nan 8.230 nan 0.000 0.474 337 I N -0.958 119.453 120.570 -0.265 0.000 2.499 337 I HA 0.612 4.782 4.170 0.000 0.000 0.288 337 I C 0.299 176.182 176.117 -0.389 0.000 1.048 337 I CA -0.389 60.767 61.300 -0.240 0.000 1.062 337 I CB 1.577 39.477 38.000 -0.167 0.000 1.238 337 I HN 0.203 nan 8.210 nan 0.000 0.426 338 G N 4.874 113.364 108.800 -0.517 0.000 2.352 338 G HA2 -0.082 3.879 3.960 0.000 0.000 0.324 338 G HA3 -0.082 3.879 3.960 0.000 0.000 0.324 338 G C -1.209 173.440 174.900 -0.419 0.000 1.249 338 G CA -0.923 43.870 45.100 -0.512 0.000 1.053 338 G HN 0.680 nan 8.290 nan 0.000 0.492 339 R N 0.329 120.861 120.500 0.054 0.000 2.368 339 R HA 0.679 5.020 4.340 0.000 0.000 0.302 339 R C -0.383 175.992 176.300 0.125 0.000 1.002 339 R CA -0.376 55.856 56.100 0.219 0.000 0.929 339 R CB 1.046 31.547 30.300 0.336 0.000 1.073 339 R HN 0.685 nan 8.270 nan 0.000 0.464 340 Q N 3.296 123.149 119.800 0.087 0.000 2.334 340 Q HA 0.273 4.614 4.340 0.000 0.000 0.249 340 Q C -0.170 175.855 176.000 0.042 0.000 0.909 340 Q CA 0.222 56.056 55.803 0.053 0.000 0.823 340 Q CB 1.627 30.383 28.738 0.029 0.000 1.353 340 Q HN 0.941 nan 8.270 nan 0.000 0.433 341 G N 4.267 113.089 108.800 0.036 0.000 2.629 341 G HA2 -0.407 3.554 3.960 0.000 0.000 0.313 341 G HA3 -0.407 3.554 3.960 0.000 0.000 0.313 341 G C 0.148 175.070 174.900 0.035 0.000 1.217 341 G CA 0.784 45.900 45.100 0.025 0.000 0.994 341 G HN 0.881 nan 8.290 nan 0.000 0.549 342 D N 1.613 122.028 120.400 0.025 0.000 2.370 342 D HA 0.341 4.981 4.640 0.000 0.000 0.230 342 D C 0.453 176.778 176.300 0.041 0.000 1.143 342 D CA 0.559 54.577 54.000 0.029 0.000 0.834 342 D CB 0.246 41.054 40.800 0.014 0.000 0.944 342 D HN 0.525 nan 8.370 nan 0.000 0.504 343 E N -0.314 119.921 120.200 0.058 0.000 2.343 343 E HA 0.395 4.745 4.350 0.000 0.000 0.270 343 E C -1.493 175.195 176.600 0.148 0.000 0.895 343 E CA -0.952 55.490 56.400 0.070 0.000 0.767 343 E CB 2.280 31.992 29.700 0.020 0.000 1.248 343 E HN 0.208 nan 8.360 nan 0.000 0.440 344 Y N 0.771 121.077 120.300 0.010 0.000 2.433 344 Y HA 0.448 4.999 4.550 0.001 0.000 0.337 344 Y C -1.275 174.643 175.900 0.031 0.000 1.026 344 Y CA -0.593 57.520 58.100 0.022 0.000 1.037 344 Y CB 1.133 39.609 38.460 0.026 0.000 1.245 344 Y HN 0.451 nan 8.280 nan 0.000 0.443 345 I N 6.201 126.490 120.570 -0.467 0.000 2.354 345 I HA 0.285 4.455 4.170 0.000 0.000 0.286 345 I C -0.122 175.755 176.117 -0.401 0.000 1.007 345 I CA -0.634 60.523 61.300 -0.238 0.000 1.167 345 I CB 1.362 39.322 38.000 -0.066 0.000 1.320 345 I HN 0.685 nan 8.210 nan 0.000 0.458 346 S N 4.583 120.255 115.700 -0.047 0.000 2.592 346 S HA 0.358 4.828 4.470 0.000 0.000 0.271 346 S C 1.308 175.940 174.600 0.054 0.000 1.326 346 S CA -0.157 58.102 58.200 0.100 0.000 1.024 346 S CB 1.795 65.156 63.200 0.268 0.000 0.921 346 S HN 0.710 nan 8.310 nan 0.000 0.527 347 A N 1.532 124.382 122.820 0.050 0.000 1.978 347 A HA -0.067 4.253 4.320 0.000 0.000 0.220 347 A C 2.355 179.956 177.584 0.027 0.000 1.170 347 A CA 2.178 54.230 52.037 0.024 0.000 0.636 347 A CB -1.743 17.272 19.000 0.025 0.000 0.810 347 A HN 1.100 nan 8.150 nan 0.000 0.448 348 T N -1.354 113.238 114.554 0.063 0.000 2.951 348 T HA -0.145 4.206 4.350 0.000 0.000 0.268 348 T C 1.746 176.491 174.700 0.074 0.000 1.073 348 T CA 1.667 63.805 62.100 0.063 0.000 1.134 348 T CB -0.263 68.650 68.868 0.075 0.000 0.884 348 T HN 0.646 nan 8.240 nan 0.000 0.479 349 E N -0.059 120.208 120.200 0.112 0.000 2.047 349 E HA -0.093 4.258 4.350 0.000 0.000 0.191 349 E C 2.237 178.924 176.600 0.146 0.000 0.987 349 E CA 1.308 57.816 56.400 0.180 0.000 0.799 349 E CB -0.121 29.727 29.700 0.246 0.000 0.752 349 E HN 0.446 nan 8.360 nan 0.000 0.449 350 V N 1.385 121.282 119.914 -0.029 0.000 2.287 350 V HA -0.298 3.822 4.120 0.000 0.000 0.248 350 V C 2.479 178.386 176.094 -0.312 0.000 1.053 350 V CA 1.924 63.936 62.300 -0.481 0.000 1.027 350 V CB -0.897 30.676 31.823 -0.417 0.000 0.646 350 V HN 0.431 nan 8.190 nan 0.000 0.447 351 A N -0.387 122.351 122.820 -0.136 0.000 1.877 351 A HA -0.253 4.067 4.320 0.000 0.000 0.216 351 A C 2.179 179.736 177.584 -0.045 0.000 1.186 351 A CA 1.955 53.940 52.037 -0.087 0.000 0.620 351 A CB -0.519 18.469 19.000 -0.020 0.000 0.822 351 A HN 0.618 nan 8.150 nan 0.000 0.443 352 E N -1.673 118.533 120.200 0.011 0.000 2.058 352 E HA -0.235 4.115 4.350 0.000 0.000 0.194 352 E C 1.882 178.505 176.600 0.037 0.000 0.997 352 E CA 1.596 58.018 56.400 0.037 0.000 0.801 352 E CB -0.343 29.404 29.700 0.078 0.000 0.746 352 E HN 0.766 nan 8.360 nan 0.000 0.450 353 Y N 1.047 121.321 120.300 -0.043 0.000 2.224 353 Y HA -0.198 4.352 4.550 0.000 0.000 0.289 353 Y C 2.123 177.952 175.900 -0.118 0.000 1.146 353 Y CA 1.528 59.609 58.100 -0.032 0.000 1.182 353 Y CB 0.128 38.609 38.460 0.036 0.000 0.983 353 Y HN -0.099 nan 8.280 nan 0.000 0.524 354 S N -0.537 115.132 115.700 -0.050 0.000 2.603 354 S HA 0.137 4.608 4.470 0.000 0.000 0.220 354 S C 1.294 175.818 174.600 -0.128 0.000 0.967 354 S CA 0.687 58.811 58.200 -0.126 0.000 0.920 354 S CB -0.477 62.605 63.200 -0.198 0.000 0.773 354 S HN 0.784 nan 8.310 nan 0.000 0.529 355 G N 1.579 110.313 108.800 -0.110 0.000 2.225 355 G HA2 -0.231 3.729 3.960 0.000 0.000 0.264 355 G HA3 -0.231 3.729 3.960 0.000 0.000 0.264 355 G C 0.112 174.971 174.900 -0.067 0.000 1.060 355 G CA 0.654 45.701 45.100 -0.089 0.000 0.833 355 G HN 0.561 nan 8.290 nan 0.000 0.498 356 T N -1.162 113.358 114.554 -0.056 0.000 2.572 356 T HA 0.768 5.118 4.350 0.000 0.000 0.274 356 T C -0.185 174.511 174.700 -0.006 0.000 0.949 356 T CA 0.008 62.084 62.100 -0.038 0.000 1.126 356 T CB 1.044 69.880 68.868 -0.053 0.000 1.478 356 T HN 1.194 nan 8.240 nan 0.000 0.492 357 I N 0.696 121.280 120.570 0.024 0.000 2.846 357 I HA 0.581 4.751 4.170 0.000 0.000 0.307 357 I C 1.139 177.325 176.117 0.116 0.000 1.053 357 I CA -1.169 60.186 61.300 0.093 0.000 1.050 357 I CB 2.016 40.108 38.000 0.154 0.000 1.239 357 I HN 0.714 nan 8.210 nan 0.000 0.439 358 N N 2.723 121.503 118.700 0.133 0.000 2.094 358 N HA -0.288 4.453 4.740 0.000 0.000 0.191 358 N C 1.341 176.908 175.510 0.095 0.000 1.023 358 N CA 1.861 54.955 53.050 0.074 0.000 0.857 358 N CB -1.071 37.434 38.487 0.031 0.000 1.013 358 N HN 0.817 nan 8.380 nan 0.000 0.426 359 Y N 0.892 121.219 120.300 0.046 0.000 2.102 359 Y HA -0.201 4.348 4.550 -0.000 0.000 0.280 359 Y C 2.772 178.645 175.900 -0.044 0.000 1.178 359 Y CA 1.903 60.014 58.100 0.020 0.000 1.146 359 Y CB -0.557 37.897 38.460 -0.010 0.000 0.968 359 Y HN 0.308 nan 8.280 nan 0.000 0.504 360 E N -0.102 120.182 120.200 0.140 0.000 2.107 360 E HA -0.156 4.194 4.350 0.000 0.000 0.191 360 E C 2.018 178.623 176.600 0.008 0.000 0.982 360 E CA 0.984 57.407 56.400 0.039 0.000 0.809 360 E CB -0.057 29.648 29.700 0.008 0.000 0.756 360 E HN 0.264 nan 8.360 nan 0.000 0.459 361 I N 2.110 122.678 120.570 -0.003 0.000 2.127 361 I HA -0.291 3.880 4.170 0.000 0.000 0.241 361 I C 2.667 178.779 176.117 -0.008 0.000 1.075 361 I CA 1.359 62.637 61.300 -0.037 0.000 1.334 361 I CB -1.285 36.677 38.000 -0.065 0.000 1.040 361 I HN 0.374 nan 8.210 nan 0.000 0.405 362 I N -1.605 118.967 120.570 0.003 0.000 2.353 362 I HA -0.157 4.013 4.170 0.000 0.000 0.248 362 I C 2.278 178.390 176.117 -0.008 0.000 1.119 362 I CA 1.432 62.724 61.300 -0.014 0.000 1.417 362 I CB -1.237 36.767 38.000 0.007 0.000 1.078 362 I HN -0.000 nan 8.210 nan 0.000 0.421 363 T N 0.928 115.485 114.554 0.004 0.000 2.951 363 T HA -0.079 4.271 4.350 0.000 0.000 0.268 363 T C 1.725 176.454 174.700 0.048 0.000 1.073 363 T CA 1.858 63.959 62.100 0.001 0.000 1.134 363 T CB -0.503 68.326 68.868 -0.064 0.000 0.884 363 T HN 0.673 nan 8.240 nan 0.000 0.479 364 T N -0.158 114.424 114.554 0.046 0.000 3.188 364 T HA 0.345 4.696 4.350 0.000 0.000 0.250 364 T C 0.553 175.314 174.700 0.102 0.000 1.077 364 T CA -0.329 61.817 62.100 0.076 0.000 0.967 364 T CB -0.810 68.085 68.868 0.046 0.000 1.006 364 T HN 0.285 nan 8.240 nan 0.000 0.552 365 I N 2.983 123.604 120.570 0.085 0.000 2.581 365 I HA 0.098 4.269 4.170 0.000 0.000 0.285 365 I C 1.015 177.221 176.117 0.149 0.000 1.129 365 I CA -0.288 61.066 61.300 0.091 0.000 1.397 365 I CB 0.479 38.488 38.000 0.016 0.000 1.399 365 I HN 0.210 nan 8.210 nan 0.000 0.537 366 S N 4.958 120.766 115.700 0.179 0.000 2.566 366 S HA 0.010 4.480 4.470 0.000 0.000 0.280 366 S C 1.071 175.888 174.600 0.360 0.000 1.343 366 S CA -0.181 58.178 58.200 0.265 0.000 1.036 366 S CB 0.325 63.644 63.200 0.198 0.000 0.866 366 S HN 0.415 nan 8.310 nan 0.000 0.526 367 F N 2.631 122.682 119.950 0.169 0.000 2.494 367 F HA 0.023 4.550 4.527 0.001 0.000 0.298 367 F C 2.300 178.242 175.800 0.237 0.000 1.106 367 F CA 1.081 59.259 58.000 0.296 0.000 1.452 367 F CB -0.505 38.665 39.000 0.282 0.000 1.085 367 F HN 0.715 nan 8.300 nan 0.000 0.569 368 R N -0.096 120.591 120.500 0.312 0.000 2.313 368 R HA 0.127 4.467 4.340 0.000 0.000 0.199 368 R C -0.246 176.123 176.300 0.114 0.000 0.958 368 R CA 0.320 56.542 56.100 0.203 0.000 1.047 368 R CB -0.472 29.926 30.300 0.163 0.000 0.955 368 R HN 0.072 nan 8.270 nan 0.000 0.481 369 V N 4.118 124.076 119.914 0.073 0.000 2.432 369 V HA 0.291 4.411 4.120 0.000 0.000 0.275 369 V C -2.003 174.018 176.094 -0.122 0.000 1.043 369 V CA -2.314 59.969 62.300 -0.028 0.000 0.925 369 V CB 1.287 33.084 31.823 -0.043 0.000 0.985 369 V HN 0.194 nan 8.190 nan 0.000 0.466 370 P HA 0.326 nan 4.420 nan 0.000 0.272 370 P C -0.783 176.319 177.300 -0.330 0.000 1.223 370 P CA -0.569 62.331 63.100 -0.334 0.000 0.784 370 P CB 0.820 32.128 31.700 -0.653 0.000 0.923 371 R N 1.772 122.077 120.500 -0.325 0.000 2.445 371 R HA 0.573 4.913 4.340 0.000 0.000 0.308 371 R C -0.242 175.790 176.300 -0.445 0.000 0.961 371 R CA -0.540 55.307 56.100 -0.422 0.000 0.862 371 R CB 0.631 30.633 30.300 -0.496 0.000 1.144 371 R HN 0.458 nan 8.270 nan 0.000 0.447 372 I N 4.162 124.458 120.570 -0.457 0.000 2.354 372 I HA 0.356 4.527 4.170 0.000 0.000 0.292 372 I C -0.686 175.140 176.117 -0.484 0.000 0.989 372 I CA -0.619 60.513 61.300 -0.280 0.000 1.188 372 I CB 1.013 38.965 38.000 -0.081 0.000 1.342 372 I HN 0.365 nan 8.210 nan 0.000 0.457 373 F N 6.448 126.416 119.950 0.031 0.000 2.427 373 F HA 0.481 5.008 4.527 -0.000 0.000 0.346 373 F C 0.155 175.979 175.800 0.040 0.000 1.120 373 F CA -0.695 57.329 58.000 0.041 0.000 1.033 373 F CB 1.161 40.179 39.000 0.031 0.000 1.126 373 F HN 0.122 nan 8.300 nan 0.000 0.462 374 I N 3.607 124.276 120.570 0.165 0.000 2.378 374 I HA 0.484 4.654 4.170 0.000 0.000 0.291 374 I C -0.441 175.739 176.117 0.104 0.000 0.992 374 I CA -0.703 60.662 61.300 0.108 0.000 1.154 374 I CB 1.654 39.701 38.000 0.078 0.000 1.315 374 I HN 0.558 nan 8.210 nan 0.000 0.448 375 R N 5.077 125.618 120.500 0.069 0.000 2.532 375 R HA 0.359 4.699 4.340 0.000 0.000 0.297 375 R C 0.084 176.389 176.300 0.008 0.000 0.984 375 R CA -0.223 55.897 56.100 0.033 0.000 0.884 375 R CB 0.556 30.868 30.300 0.020 0.000 1.182 375 R HN 0.610 nan 8.270 nan 0.000 0.442 376 N N 2.627 121.323 118.700 -0.007 0.000 2.754 376 N HA -0.174 4.567 4.740 0.000 0.000 0.248 376 N C -0.174 175.336 175.510 0.001 0.000 1.093 376 N CA 1.791 54.833 53.050 -0.013 0.000 0.699 376 N CB -1.109 37.361 38.487 -0.028 0.000 1.016 376 N HN 1.233 nan 8.380 nan 0.000 0.552 380 V N 0.394 120.359 119.914 0.086 0.000 3.635 380 V HA 0.570 4.691 4.120 0.000 0.000 0.266 380 V C 0.321 176.465 176.094 0.084 0.000 1.316 380 V CA 0.795 63.137 62.300 0.070 0.000 1.060 380 V CB 0.823 32.681 31.823 0.059 0.000 0.820 380 V HN 0.858 nan 8.190 nan 0.000 0.447 381 E N -0.445 119.847 120.200 0.153 0.000 2.380 381 E HA 0.616 4.966 4.350 0.000 0.000 0.281 381 E C -2.192 174.578 176.600 0.283 0.000 0.999 381 E CA -0.479 56.023 56.400 0.170 0.000 0.800 381 E CB 3.079 32.828 29.700 0.083 0.000 1.228 381 E HN 0.044 nan 8.360 nan 0.000 0.436 382 V N 4.643 124.678 119.914 0.201 0.000 2.531 382 V HA 0.508 4.628 4.120 0.000 0.000 0.301 382 V C -0.446 175.742 176.094 0.156 0.000 1.034 382 V CA -0.582 61.830 62.300 0.186 0.000 0.865 382 V CB 1.619 33.528 31.823 0.143 0.000 0.995 382 V HN 0.561 nan 8.190 nan 0.000 0.424 383 I N 4.309 124.969 120.570 0.149 0.000 2.382 383 I HA 0.447 4.617 4.170 0.000 0.000 0.286 383 I C -0.502 175.547 176.117 -0.113 0.000 1.002 383 I CA -0.403 60.914 61.300 0.029 0.000 1.135 383 I CB 1.821 39.822 38.000 0.002 0.000 1.288 383 I HN 0.540 nan 8.210 nan 0.000 0.448 384 N N 5.875 124.556 118.700 -0.033 0.000 2.626 384 N HA 0.252 4.993 4.740 0.000 0.000 0.242 384 N C 0.299 175.877 175.510 0.113 0.000 1.005 384 N CA -0.331 52.715 53.050 -0.008 0.000 0.905 384 N CB 0.497 39.032 38.487 0.080 0.000 1.128 384 N HN 0.448 nan 8.380 nan 0.000 0.512 385 Y N 1.795 122.154 120.300 0.098 0.000 2.315 385 Y HA -0.164 4.386 4.550 -0.000 0.000 0.288 385 Y C 1.817 177.809 175.900 0.153 0.000 1.154 385 Y CA 0.572 58.755 58.100 0.139 0.000 1.229 385 Y CB 0.276 38.845 38.460 0.182 0.000 0.980 385 Y HN 0.479 nan 8.280 nan 0.000 0.540 386 L N -0.096 121.301 121.223 0.290 0.000 2.127 386 L HA -0.274 4.066 4.340 0.000 0.000 0.211 386 L C 1.747 178.730 176.870 0.187 0.000 1.089 386 L CA 0.945 55.916 54.840 0.219 0.000 0.757 386 L CB -0.515 41.657 42.059 0.188 0.000 0.899 386 L HN 0.327 nan 8.230 nan 0.000 0.434 387 N N -0.088 118.723 118.700 0.184 0.000 2.381 387 N HA -0.154 4.586 4.740 0.000 0.000 0.182 387 N C 1.277 176.876 175.510 0.148 0.000 1.025 387 N CA 1.065 54.209 53.050 0.158 0.000 0.888 387 N CB -0.194 38.380 38.487 0.144 0.000 0.965 387 N HN 0.365 nan 8.380 nan 0.000 0.438 388 D N 0.396 120.902 120.400 0.178 0.000 2.305 388 D HA 0.050 4.690 4.640 0.000 0.000 0.206 388 D C 1.272 177.649 176.300 0.129 0.000 0.974 388 D CA 0.057 54.152 54.000 0.159 0.000 0.871 388 D CB 0.541 41.464 40.800 0.206 0.000 0.947 388 D HN 0.409 nan 8.370 nan 0.000 0.516 389 I N 0.000 120.650 120.570 0.133 0.000 2.984 389 I HA 0.000 4.170 4.170 0.000 0.000 0.288 389 I CA 0.000 61.362 61.300 0.104 0.000 1.566 389 I CB 0.000 38.066 38.000 0.110 0.000 1.214 389 I HN 0.000 nan 8.210 nan 0.000 0.494