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 2bvt_1_A DATA FIRST_RESID 5 DATA SEQUENCE TIAIVDADAT AETRSLLSYL DGVRGEGILF GHQHTTSFGL TTGPTDGTTS DATA SEQUENCE DVKNVTGDFP AVFGWDTLII EGNERPGLAE NTRDENIALF ADYIRKADAI DATA SEQUENCE GGVNTVSAHV ENFVTGGSFY DTSGDTLRAV LPGGSHHAEL VAYLDDIAEL DATA SEQUENCE ADASRRDDGT LIPIVFRPWH ENAGSWFWWG AAYGSPGEYQ ELYRFTVEYL DATA SEQUENCE RDVKGVSNFL YAWGPGGGFG GNRDVYLRTY PGDAFVDVLG LDTYDSTGSD DATA SEQUENCE AFLAGLVADL RMIAEIADEK GKVSAFTEFG VSGGVGTNGS SPAQWFTKVL DATA SEQUENCE AAIKADPVAS RNAYMETWAN FDAGQHFVPV PGDALLEDFQ AYAADPFTLF DATA SEQUENCE ASEVTGAFDR TVAAAPAQPV VHIASPADGA RVASAPTTVR VRVGGTDVQS DATA SEQUENCE VTVEVAQXXX VVDTLDLAYD GALWWTAPWS PXXXXXXXXX YTVTATATTA DATA SEQUENCE AGTLDVTNEV AAAL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.724 174.700 0.039 0.000 1.109 5 T CA 0.000 62.120 62.100 0.034 0.000 1.349 5 T CB 0.000 68.885 68.868 0.028 0.000 0.612 6 I N 0.024 120.623 120.570 0.047 0.000 3.002 6 I HA 0.982 5.151 4.170 -0.000 0.000 0.310 6 I C -0.401 175.750 176.117 0.057 0.000 1.087 6 I CA -1.640 59.692 61.300 0.055 0.000 1.017 6 I CB 1.414 39.454 38.000 0.067 0.000 1.226 6 I HN 0.730 nan 8.210 nan 0.000 0.443 7 A N 5.582 128.439 122.820 0.062 0.000 2.310 7 A HA 0.637 4.957 4.320 -0.000 0.000 0.300 7 A C -0.366 177.268 177.584 0.083 0.000 1.269 7 A CA -0.359 51.715 52.037 0.062 0.000 0.909 7 A CB -0.182 18.853 19.000 0.059 0.000 1.144 7 A HN 0.774 nan 8.150 nan 0.000 0.540 8 I N 3.871 124.489 120.570 0.081 0.000 2.499 8 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 8 I C 0.699 176.876 176.117 0.101 0.000 1.048 8 I CA -0.784 60.584 61.300 0.113 0.000 1.062 8 I CB 2.018 40.091 38.000 0.121 0.000 1.238 8 I HN 0.383 nan 8.210 nan 0.000 0.426 9 V N 4.708 124.703 119.914 0.135 0.000 2.313 9 V HA -0.252 3.868 4.120 -0.000 0.000 0.253 9 V C 0.730 176.865 176.094 0.068 0.000 1.070 9 V CA 2.116 64.466 62.300 0.082 0.000 1.057 9 V CB -0.711 31.213 31.823 0.167 0.000 0.653 9 V HN 0.824 nan 8.190 nan 0.000 0.450 10 D N -0.886 119.605 120.400 0.151 0.000 2.467 10 D HA 0.482 5.122 4.640 -0.000 0.000 0.220 10 D C 0.888 177.234 176.300 0.076 0.000 1.103 10 D CA 0.372 54.441 54.000 0.116 0.000 0.886 10 D CB 1.196 42.107 40.800 0.186 0.000 1.025 10 D HN 0.161 nan 8.370 nan 0.000 0.514 11 A N 3.586 126.428 122.820 0.038 0.000 2.131 11 A HA -0.128 4.191 4.320 -0.000 0.000 0.220 11 A C 1.189 178.790 177.584 0.028 0.000 1.158 11 A CA 1.036 53.090 52.037 0.029 0.000 0.665 11 A CB 0.025 19.030 19.000 0.009 0.000 0.795 11 A HN 0.520 nan 8.150 nan 0.000 0.460 12 D N -0.360 120.056 120.400 0.026 0.000 2.463 12 D HA 0.415 5.055 4.640 -0.000 0.000 0.224 12 D C 0.655 176.968 176.300 0.021 0.000 1.174 12 D CA 0.484 54.493 54.000 0.015 0.000 0.829 12 D CB 0.027 40.826 40.800 -0.001 0.000 0.993 12 D HN 0.435 nan 8.370 nan 0.000 0.497 13 A N 0.875 123.722 122.820 0.045 0.000 2.475 13 A HA 0.318 4.638 4.320 -0.000 0.000 0.239 13 A C 1.152 178.758 177.584 0.037 0.000 1.087 13 A CA -0.064 52.005 52.037 0.054 0.000 0.779 13 A CB 0.053 19.108 19.000 0.091 0.000 1.036 13 A HN 0.225 nan 8.150 nan 0.000 0.506 14 T N -1.715 112.857 114.554 0.030 0.000 2.766 14 T HA 0.448 4.798 4.350 -0.000 0.000 0.295 14 T C 1.366 176.091 174.700 0.041 0.000 1.024 14 T CA 0.142 62.254 62.100 0.019 0.000 1.018 14 T CB 0.768 69.635 68.868 -0.002 0.000 1.002 14 T HN 1.425 nan 8.240 nan 0.000 0.532 15 A N 1.190 124.030 122.820 0.034 0.000 1.883 15 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 15 A C 2.200 179.834 177.584 0.084 0.000 1.186 15 A CA 2.023 54.090 52.037 0.051 0.000 0.624 15 A CB -1.218 17.804 19.000 0.037 0.000 0.822 15 A HN 0.934 nan 8.150 nan 0.000 0.444 16 E N -0.309 119.943 120.200 0.087 0.000 2.110 16 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 16 E C 2.100 178.840 176.600 0.234 0.000 0.988 16 E CA 1.665 58.169 56.400 0.173 0.000 0.804 16 E CB -0.781 28.961 29.700 0.069 0.000 0.745 16 E HN 0.639 nan 8.360 nan 0.000 0.458 17 T N 0.666 115.309 114.554 0.149 0.000 2.622 17 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 17 T C 1.840 176.635 174.700 0.160 0.000 1.047 17 T CA 1.491 63.688 62.100 0.161 0.000 1.159 17 T CB -0.255 68.684 68.868 0.118 0.000 0.863 17 T HN 0.098 nan 8.240 nan 0.000 0.422 18 R N 0.754 121.330 120.500 0.126 0.000 2.127 18 R HA -0.067 4.273 4.340 -0.000 0.000 0.238 18 R C 2.932 179.303 176.300 0.119 0.000 1.134 18 R CA 1.312 57.480 56.100 0.114 0.000 0.975 18 R CB -0.450 29.903 30.300 0.089 0.000 0.865 18 R HN 0.288 nan 8.270 nan 0.000 0.447 19 S N 0.816 116.593 115.700 0.128 0.000 2.356 19 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 19 S C 1.857 176.523 174.600 0.111 0.000 1.032 19 S CA 1.107 59.377 58.200 0.116 0.000 1.005 19 S CB -0.150 63.128 63.200 0.130 0.000 0.867 19 S HN 0.241 nan 8.310 nan 0.000 0.449 20 L N 1.550 122.852 121.223 0.132 0.000 2.046 20 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 20 L C 2.232 179.199 176.870 0.162 0.000 1.077 20 L CA 1.645 56.544 54.840 0.099 0.000 0.747 20 L CB -0.649 41.514 42.059 0.173 0.000 0.896 20 L HN 0.418 nan 8.230 nan 0.000 0.432 21 L N -1.269 120.049 121.223 0.159 0.000 2.083 21 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 21 L C 2.663 179.614 176.870 0.136 0.000 1.083 21 L CA 1.673 56.608 54.840 0.157 0.000 0.752 21 L CB -0.318 41.832 42.059 0.151 0.000 0.899 21 L HN 0.545 nan 8.230 nan 0.000 0.433 22 S N -1.156 114.619 115.700 0.125 0.000 2.368 22 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 22 S C 2.016 176.678 174.600 0.103 0.000 1.029 22 S CA 1.262 59.523 58.200 0.102 0.000 0.988 22 S CB -0.448 62.809 63.200 0.095 0.000 0.838 22 S HN 0.556 nan 8.310 nan 0.000 0.462 23 Y N 1.908 122.205 120.300 -0.005 0.000 2.133 23 Y HA 0.045 4.595 4.550 -0.000 0.000 0.287 23 Y C 2.028 177.928 175.900 -0.000 0.000 1.134 23 Y CA 1.772 59.853 58.100 -0.032 0.000 1.133 23 Y CB -0.535 37.858 38.460 -0.112 0.000 0.987 23 Y HN 0.232 nan 8.280 nan 0.000 0.502 24 L N 0.199 121.503 121.223 0.136 0.000 2.129 24 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 24 L C 1.994 178.876 176.870 0.020 0.000 1.087 24 L CA 1.955 56.852 54.840 0.094 0.000 0.757 24 L CB -0.551 41.636 42.059 0.213 0.000 0.896 24 L HN 0.332 nan 8.230 nan 0.000 0.434 25 D N -0.403 120.011 120.400 0.025 0.000 2.183 25 D HA -0.076 4.564 4.640 -0.000 0.000 0.205 25 D C 2.120 178.400 176.300 -0.034 0.000 0.962 25 D CA 1.065 55.077 54.000 0.019 0.000 0.849 25 D CB 0.080 40.908 40.800 0.047 0.000 0.978 25 D HN 0.140 nan 8.370 nan 0.000 0.488 26 G N -0.063 108.690 108.800 -0.078 0.000 2.448 26 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 26 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 26 G C 1.684 176.487 174.900 -0.162 0.000 1.135 26 G CA 0.531 45.570 45.100 -0.101 0.000 0.784 26 G HN 0.285 nan 8.290 nan 0.000 0.543 27 V N 0.822 120.569 119.914 -0.278 0.000 2.667 27 V HA 0.053 4.173 4.120 -0.000 0.000 0.252 27 V C 1.503 177.519 176.094 -0.130 0.000 1.065 27 V CA 0.352 62.476 62.300 -0.294 0.000 1.083 27 V CB -0.357 31.186 31.823 -0.468 0.000 0.692 27 V HN 0.314 nan 8.190 nan 0.000 0.468 28 R N 0.231 120.689 120.500 -0.071 0.000 2.494 28 R HA 0.173 4.513 4.340 -0.000 0.000 0.291 28 R C 1.407 177.724 176.300 0.028 0.000 0.953 28 R CA 0.875 56.971 56.100 -0.006 0.000 1.098 28 R CB -0.438 29.868 30.300 0.010 0.000 0.911 28 R HN 0.512 nan 8.270 nan 0.000 0.407 29 G N 2.349 111.206 108.800 0.097 0.000 2.320 29 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 29 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 29 G C 0.833 175.870 174.900 0.228 0.000 1.033 29 G CA 0.212 45.407 45.100 0.159 0.000 0.620 29 G HN 0.585 nan 8.290 nan 0.000 0.517 30 E N 0.675 120.948 120.200 0.122 0.000 2.216 30 E HA 0.376 4.726 4.350 -0.000 0.000 0.192 30 E C 1.342 177.984 176.600 0.071 0.000 0.973 30 E CA 1.281 57.746 56.400 0.109 0.000 0.851 30 E CB 0.502 30.206 29.700 0.006 0.000 0.804 30 E HN 1.356 nan 8.360 nan 0.000 0.477 31 G N 0.599 109.282 108.800 -0.195 0.000 2.633 31 G HA2 0.419 4.379 3.960 -0.000 0.000 0.299 31 G HA3 0.419 4.379 3.960 -0.000 0.000 0.299 31 G C -1.653 172.889 174.900 -0.597 0.000 1.501 31 G CA -0.748 43.971 45.100 -0.636 0.000 0.887 31 G HN 0.041 nan 8.290 nan 0.000 0.561 32 I N 2.161 122.236 120.570 -0.826 0.000 2.354 32 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 32 I C -0.012 176.030 176.117 -0.125 0.000 0.989 32 I CA -1.185 59.914 61.300 -0.335 0.000 1.188 32 I CB 1.002 38.857 38.000 -0.243 0.000 1.342 32 I HN 0.309 nan 8.210 nan 0.000 0.457 33 L N 7.441 128.686 121.223 0.037 0.000 2.367 33 L HA 0.206 4.546 4.340 -0.000 0.000 0.275 33 L C -0.355 176.595 176.870 0.133 0.000 1.129 33 L CA -0.236 54.657 54.840 0.088 0.000 0.839 33 L CB 0.355 42.489 42.059 0.125 0.000 1.133 33 L HN 0.517 nan 8.230 nan 0.000 0.453 34 F N 2.518 122.386 119.950 -0.137 0.000 2.410 34 F HA 0.619 5.146 4.527 -0.000 0.000 0.348 34 F C 0.530 176.264 175.800 -0.110 0.000 1.106 34 F CA -0.521 57.410 58.000 -0.114 0.000 1.163 34 F CB 1.201 39.965 39.000 -0.394 0.000 1.129 34 F HN 0.379 nan 8.300 nan 0.000 0.516 35 G N 4.279 112.634 108.800 -0.742 0.000 2.453 35 G HA2 0.392 4.352 3.960 -0.000 0.000 0.323 35 G HA3 0.392 4.352 3.960 -0.000 0.000 0.323 35 G C -2.108 172.250 174.900 -0.903 0.000 1.198 35 G CA -0.647 44.060 45.100 -0.656 0.000 0.959 35 G HN 0.894 nan 8.290 nan 0.000 0.482 36 H N 0.754 119.362 119.070 -0.770 0.000 3.018 36 H HA 0.310 4.866 4.556 -0.000 0.000 0.334 36 H C -0.749 174.207 175.328 -0.620 0.000 0.983 36 H CA -0.733 54.934 56.048 -0.636 0.000 1.363 36 H CB 1.999 31.452 29.762 -0.515 0.000 1.668 36 H HN 0.464 nan 8.280 nan 0.000 0.513 37 Q N 3.849 123.266 119.800 -0.638 0.000 2.274 37 Q HA -0.009 4.330 4.340 -0.000 0.000 0.280 37 Q C -0.028 175.417 176.000 -0.925 0.000 1.047 37 Q CA 0.616 55.840 55.803 -0.964 0.000 0.907 37 Q CB -0.075 27.784 28.738 -1.466 0.000 1.171 37 Q HN 0.771 nan 8.270 nan 0.000 0.381 38 H N 2.225 120.794 119.070 -0.835 0.000 2.820 38 H HA -0.196 4.360 4.556 -0.000 0.000 0.295 38 H C 0.810 175.856 175.328 -0.471 0.000 1.187 38 H CA 1.142 56.922 56.048 -0.446 0.000 1.144 38 H CB -1.570 28.152 29.762 -0.066 0.000 1.354 38 H HN 0.794 nan 8.280 nan 0.000 0.395 39 T N -0.324 113.827 114.554 -0.671 0.000 2.869 39 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 39 T C 1.838 176.481 174.700 -0.096 0.000 1.082 39 T CA 2.135 63.894 62.100 -0.569 0.000 1.123 39 T CB -0.057 68.425 68.868 -0.644 0.000 0.856 39 T HN 0.730 nan 8.240 nan 0.000 0.499 40 T N -2.033 112.608 114.554 0.146 0.000 3.145 40 T HA 0.311 4.661 4.350 -0.000 0.000 0.281 40 T C 1.395 176.301 174.700 0.343 0.000 1.003 40 T CA 0.417 62.688 62.100 0.284 0.000 0.901 40 T CB 0.245 69.339 68.868 0.376 0.000 1.112 40 T HN 0.314 nan 8.240 nan 0.000 0.535 41 S N -0.331 115.578 115.700 0.348 0.000 2.604 41 S HA 0.482 4.952 4.470 -0.000 0.000 0.235 41 S C -0.350 174.135 174.600 -0.192 0.000 1.043 41 S CA -0.534 57.787 58.200 0.201 0.000 0.997 41 S CB -0.017 63.333 63.200 0.249 0.000 0.956 41 S HN 0.283 nan 8.310 nan 0.000 0.535 42 F N 1.374 121.359 119.950 0.058 0.000 2.562 42 F HA 0.781 5.308 4.527 -0.000 0.000 0.319 42 F C 0.435 176.227 175.800 -0.014 0.000 1.154 42 F CA -0.457 57.542 58.000 -0.002 0.000 0.931 42 F CB 1.957 40.915 39.000 -0.069 0.000 1.198 42 F HN 0.275 nan 8.300 nan 0.000 0.444 43 G N 2.657 111.592 108.800 0.224 0.000 2.684 43 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 43 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 43 G C -0.686 174.256 174.900 0.070 0.000 1.425 43 G CA -0.730 44.440 45.100 0.117 0.000 0.822 43 G HN 0.546 nan 8.290 nan 0.000 0.482 44 L N -0.428 120.798 121.223 0.005 0.000 2.717 44 L HA 0.201 4.541 4.340 -0.000 0.000 0.239 44 L C 2.245 179.098 176.870 -0.029 0.000 1.086 44 L CA 1.068 55.879 54.840 -0.047 0.000 0.897 44 L CB 0.871 42.822 42.059 -0.179 0.000 1.214 44 L HN 0.709 nan 8.230 nan 0.000 0.508 45 T N -5.392 109.156 114.554 -0.010 0.000 3.040 45 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 45 T C 1.543 176.252 174.700 0.015 0.000 1.005 45 T CA 0.624 62.723 62.100 -0.002 0.000 0.906 45 T CB 0.039 68.903 68.868 -0.005 0.000 1.082 45 T HN 0.197 nan 8.240 nan 0.000 0.531 46 T N -1.238 113.333 114.554 0.028 0.000 3.009 46 T HA 0.506 4.856 4.350 -0.000 0.000 0.258 46 T C 1.592 176.316 174.700 0.041 0.000 1.063 46 T CA 0.729 62.853 62.100 0.040 0.000 1.139 46 T CB -0.588 68.316 68.868 0.060 0.000 0.890 46 T HN 1.234 nan 8.240 nan 0.000 0.471 47 G N 1.901 110.724 108.800 0.039 0.000 2.545 47 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.216 47 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.216 47 G C -2.801 172.125 174.900 0.043 0.000 1.314 47 G CA -0.738 44.384 45.100 0.036 0.000 0.906 47 G HN 0.490 nan 8.290 nan 0.000 0.563 48 P HA 0.345 nan 4.420 nan 0.000 0.265 48 P C 0.777 178.104 177.300 0.046 0.000 1.222 48 P CA 0.829 63.951 63.100 0.036 0.000 0.767 48 P CB 0.456 32.174 31.700 0.029 0.000 0.801 49 T N -0.388 114.195 114.554 0.048 0.000 2.860 49 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 49 T C 0.491 175.256 174.700 0.109 0.000 1.045 49 T CA -0.094 62.054 62.100 0.080 0.000 1.071 49 T CB 0.689 69.609 68.868 0.087 0.000 0.985 49 T HN 0.503 nan 8.240 nan 0.000 0.537 50 D N -1.885 118.582 120.400 0.113 0.000 2.557 50 D HA 0.189 4.829 4.640 -0.000 0.000 0.317 50 D C 1.137 177.299 176.300 -0.230 0.000 1.403 50 D CA 0.239 54.289 54.000 0.083 0.000 0.886 50 D CB -0.662 40.156 40.800 0.030 0.000 1.363 50 D HN 1.251 nan 8.370 nan 0.000 0.458 51 G N 0.222 108.802 108.800 -0.367 0.000 2.132 51 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 51 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 51 G C 0.892 175.645 174.900 -0.246 0.000 0.989 51 G CA 1.164 45.786 45.100 -0.797 0.000 0.676 51 G HN 0.989 nan 8.290 nan 0.000 0.522 52 T N -3.560 110.976 114.554 -0.031 0.000 2.992 52 T HA 0.419 4.769 4.350 -0.000 0.000 0.255 52 T C 1.023 175.901 174.700 0.297 0.000 0.938 52 T CA 1.457 63.609 62.100 0.086 0.000 0.895 52 T CB 0.562 69.448 68.868 0.029 0.000 1.221 52 T HN 1.341 nan 8.240 nan 0.000 0.512 53 T N 0.386 115.079 114.554 0.231 0.000 2.943 53 T HA 0.718 5.068 4.350 -0.000 0.000 0.284 53 T C -0.419 174.410 174.700 0.214 0.000 1.015 53 T CA -0.632 61.601 62.100 0.222 0.000 1.042 53 T CB 1.784 70.724 68.868 0.121 0.000 1.055 53 T HN 0.317 nan 8.240 nan 0.000 0.500 54 S N -0.111 115.640 115.700 0.086 0.000 2.535 54 S HA 0.306 4.776 4.470 -0.000 0.000 0.272 54 S C 0.005 174.597 174.600 -0.012 0.000 1.149 54 S CA -0.673 57.550 58.200 0.038 0.000 0.888 54 S CB 1.664 64.870 63.200 0.009 0.000 1.110 54 S HN 0.708 nan 8.310 nan 0.000 0.463 55 D N 2.519 122.953 120.400 0.057 0.000 2.178 55 D HA -0.084 4.555 4.640 -0.000 0.000 0.201 55 D C 2.040 178.369 176.300 0.048 0.000 0.980 55 D CA 1.239 55.268 54.000 0.048 0.000 0.842 55 D CB -0.046 40.795 40.800 0.070 0.000 0.948 55 D HN 0.358 nan 8.370 nan 0.000 0.472 56 V N 0.971 120.943 119.914 0.098 0.000 2.295 56 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 56 V C 2.400 178.518 176.094 0.040 0.000 1.049 56 V CA 1.558 63.965 62.300 0.178 0.000 1.024 56 V CB -0.426 31.584 31.823 0.311 0.000 0.648 56 V HN 0.090 nan 8.190 nan 0.000 0.447 57 K N 1.267 121.548 120.400 -0.198 0.000 2.063 57 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 57 K C 1.753 178.242 176.600 -0.184 0.000 1.048 57 K CA 1.857 57.894 56.287 -0.417 0.000 0.928 57 K CB -0.516 31.402 32.500 -0.971 0.000 0.713 57 K HN 0.480 nan 8.250 nan 0.000 0.442 58 N N -0.098 118.542 118.700 -0.101 0.000 2.270 58 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 58 N C 1.607 177.109 175.510 -0.013 0.000 1.016 58 N CA 1.539 54.563 53.050 -0.043 0.000 0.870 58 N CB -0.011 38.465 38.487 -0.019 0.000 0.979 58 N HN 0.336 nan 8.380 nan 0.000 0.431 59 V N -1.937 117.988 119.914 0.019 0.000 3.307 59 V HA 0.170 4.290 4.120 -0.000 0.000 0.253 59 V C 1.887 177.995 176.094 0.022 0.000 1.149 59 V CA 1.468 63.797 62.300 0.047 0.000 1.112 59 V CB -0.244 31.647 31.823 0.114 0.000 0.777 59 V HN 0.310 nan 8.190 nan 0.000 0.464 60 T N -3.963 110.592 114.554 0.002 0.000 2.971 60 T HA 0.457 4.807 4.350 -0.000 0.000 0.252 60 T C 1.697 176.312 174.700 -0.141 0.000 1.022 60 T CA 1.067 63.103 62.100 -0.107 0.000 0.980 60 T CB 0.583 69.351 68.868 -0.166 0.000 1.044 60 T HN 1.612 nan 8.240 nan 0.000 0.501 61 G N 0.868 109.613 108.800 -0.092 0.000 2.157 61 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.248 61 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.248 61 G C -0.323 174.550 174.900 -0.045 0.000 0.979 61 G CA 0.152 45.206 45.100 -0.076 0.000 0.650 61 G HN 0.910 nan 8.290 nan 0.000 0.529 62 D N -1.362 119.017 120.400 -0.035 0.000 2.706 62 D HA 0.557 5.197 4.640 -0.000 0.000 0.225 62 D C -0.171 176.267 176.300 0.230 0.000 1.241 62 D CA -0.687 53.394 54.000 0.134 0.000 0.784 62 D CB 0.527 41.421 40.800 0.157 0.000 1.521 62 D HN -0.045 nan 8.370 nan 0.000 0.461 63 F N 1.956 122.093 119.950 0.311 0.000 2.444 63 F HA 0.360 4.887 4.527 -0.000 0.000 0.331 63 F C -1.271 174.712 175.800 0.305 0.000 1.167 63 F CA -1.187 56.976 58.000 0.272 0.000 1.262 63 F CB 0.149 39.329 39.000 0.300 0.000 1.196 63 F HN 0.092 nan 8.300 nan 0.000 0.583 64 P HA 0.025 nan 4.420 nan 0.000 0.270 64 P C -0.307 177.032 177.300 0.066 0.000 1.223 64 P CA 0.031 63.103 63.100 -0.048 0.000 0.785 64 P CB 0.763 32.276 31.700 -0.312 0.000 0.923 65 A N 1.946 124.756 122.820 -0.018 0.000 2.067 65 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 65 A C 0.898 178.561 177.584 0.132 0.000 1.156 65 A CA 1.052 53.161 52.037 0.121 0.000 0.683 65 A CB -0.303 18.750 19.000 0.089 0.000 0.808 65 A HN 0.414 nan 8.150 nan 0.000 0.455 66 V N 0.086 120.006 119.914 0.011 0.000 2.531 66 V HA 0.465 4.585 4.120 -0.000 0.000 0.301 66 V C -1.408 174.661 176.094 -0.041 0.000 1.034 66 V CA -0.609 61.690 62.300 -0.002 0.000 0.865 66 V CB 1.400 33.111 31.823 -0.187 0.000 0.995 66 V HN 0.270 nan 8.190 nan 0.000 0.424 67 F N 2.792 122.590 119.950 -0.253 0.000 2.388 67 F HA 0.708 5.235 4.527 -0.000 0.000 0.358 67 F C 0.918 176.216 175.800 -0.836 0.000 1.122 67 F CA -0.770 56.936 58.000 -0.490 0.000 1.056 67 F CB 1.666 40.510 39.000 -0.261 0.000 1.155 67 F HN 0.546 nan 8.300 nan 0.000 0.461 68 G N 2.469 110.740 108.800 -0.882 0.000 2.367 68 G HA2 0.509 4.469 3.960 -0.000 0.000 0.314 68 G HA3 0.509 4.469 3.960 -0.000 0.000 0.314 68 G C -1.579 172.579 174.900 -1.237 0.000 1.130 68 G CA -0.409 44.187 45.100 -0.841 0.000 0.864 68 G HN 0.665 nan 8.290 nan 0.000 0.486 69 W N -0.599 120.564 121.300 -0.227 0.000 3.060 69 W HA 0.633 5.292 4.660 -0.000 0.000 0.346 69 W C -0.589 175.840 176.519 -0.150 0.000 1.194 69 W CA -0.793 56.341 57.345 -0.352 0.000 1.105 69 W CB 2.039 31.442 29.460 -0.095 0.000 1.487 69 W HN 0.440 nan 8.180 nan 0.000 0.592 70 D N -0.905 119.606 120.400 0.185 0.000 2.661 70 D HA 0.098 4.738 4.640 -0.000 0.000 0.228 70 D C 0.807 177.371 176.300 0.440 0.000 1.210 70 D CA -0.229 53.949 54.000 0.297 0.000 0.826 70 D CB 2.428 43.378 40.800 0.250 0.000 1.542 70 D HN 0.487 nan 8.370 nan 0.000 0.447 71 T N 0.236 115.061 114.554 0.451 0.000 2.977 71 T HA -0.075 4.275 4.350 -0.000 0.000 0.271 71 T C 2.178 177.123 174.700 0.409 0.000 1.105 71 T CA 0.477 62.868 62.100 0.484 0.000 1.116 71 T CB -0.162 69.018 68.868 0.519 0.000 0.878 71 T HN 0.405 nan 8.240 nan 0.000 0.509 72 L N 0.111 121.556 121.223 0.370 0.000 2.189 72 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 72 L C 2.527 179.543 176.870 0.243 0.000 1.097 72 L CA 1.194 56.226 54.840 0.320 0.000 0.764 72 L CB -0.611 41.630 42.059 0.303 0.000 0.900 72 L HN 0.350 nan 8.230 nan 0.000 0.436 73 I N -0.137 120.564 120.570 0.218 0.000 2.127 73 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 73 I C 2.384 178.582 176.117 0.134 0.000 1.075 73 I CA 1.654 63.008 61.300 0.090 0.000 1.334 73 I CB -0.374 37.508 38.000 -0.197 0.000 1.040 73 I HN 0.173 nan 8.210 nan 0.000 0.405 74 I N 0.634 121.339 120.570 0.225 0.000 2.208 74 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 74 I C 2.337 178.499 176.117 0.075 0.000 1.097 74 I CA 1.607 62.981 61.300 0.123 0.000 1.363 74 I CB -0.626 37.401 38.000 0.044 0.000 1.051 74 I HN 0.298 nan 8.210 nan 0.000 0.413 75 E N 0.575 120.849 120.200 0.123 0.000 2.265 75 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 75 E C 1.602 178.267 176.600 0.109 0.000 0.996 75 E CA 0.753 57.236 56.400 0.139 0.000 0.832 75 E CB -0.085 29.756 29.700 0.236 0.000 0.756 75 E HN 0.692 nan 8.360 nan 0.000 0.491 76 G N 0.881 109.737 108.800 0.092 0.000 2.157 76 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 76 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 76 G C 0.677 175.616 174.900 0.065 0.000 0.982 76 G CA 0.361 45.495 45.100 0.057 0.000 0.650 76 G HN 0.205 nan 8.290 nan 0.000 0.527 77 N N 0.448 119.210 118.700 0.105 0.000 2.405 77 N HA 0.062 4.802 4.740 -0.000 0.000 0.175 77 N C 0.393 175.974 175.510 0.118 0.000 1.051 77 N CA 0.778 53.894 53.050 0.110 0.000 0.899 77 N CB 0.449 39.025 38.487 0.150 0.000 1.000 77 N HN 0.656 nan 8.380 nan 0.000 0.451 78 E N 1.057 121.337 120.200 0.132 0.000 2.224 78 E HA 0.306 4.656 4.350 -0.000 0.000 0.265 78 E C -0.431 176.136 176.600 -0.054 0.000 0.878 78 E CA -0.590 55.907 56.400 0.162 0.000 0.759 78 E CB 2.352 32.240 29.700 0.313 0.000 1.164 78 E HN 0.006 nan 8.360 nan 0.000 0.414 79 R N 2.629 122.934 120.500 -0.325 0.000 2.811 79 R HA 0.009 4.349 4.340 -0.000 0.000 0.265 79 R C -1.385 174.651 176.300 -0.439 0.000 1.026 79 R CA -0.837 54.996 56.100 -0.446 0.000 1.142 79 R CB 0.209 30.124 30.300 -0.641 0.000 1.027 79 R HN 0.372 nan 8.270 nan 0.000 0.465 80 P HA -0.052 nan 4.420 nan 0.000 0.242 80 P C 0.387 177.504 177.300 -0.305 0.000 1.197 80 P CA 0.454 63.238 63.100 -0.527 0.000 0.765 80 P CB 0.164 31.300 31.700 -0.939 0.000 0.936 81 G N 0.717 109.374 108.800 -0.237 0.000 2.491 81 G HA2 0.363 4.323 3.960 -0.000 0.000 0.238 81 G HA3 0.363 4.323 3.960 -0.000 0.000 0.238 81 G C -0.622 174.231 174.900 -0.078 0.000 1.277 81 G CA -0.192 44.841 45.100 -0.112 0.000 0.851 81 G HN 0.145 nan 8.290 nan 0.000 0.573 82 L N 1.146 122.343 121.223 -0.042 0.000 2.401 82 L HA 0.409 4.749 4.340 -0.000 0.000 0.266 82 L C 1.405 178.275 176.870 0.002 0.000 0.991 82 L CA -1.014 53.812 54.840 -0.024 0.000 0.818 82 L CB 2.092 44.134 42.059 -0.028 0.000 1.321 82 L HN 0.664 nan 8.230 nan 0.000 0.413 83 A N 1.779 124.607 122.820 0.013 0.000 1.873 83 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 83 A C 1.831 179.426 177.584 0.019 0.000 1.193 83 A CA 2.019 54.071 52.037 0.025 0.000 0.629 83 A CB -0.351 18.665 19.000 0.027 0.000 0.826 83 A HN 0.897 nan 8.150 nan 0.000 0.447 84 E N 1.298 121.505 120.200 0.012 0.000 2.048 84 E HA -0.143 4.207 4.350 -0.000 0.000 0.202 84 E C 0.641 177.246 176.600 0.008 0.000 1.021 84 E CA 1.020 57.426 56.400 0.009 0.000 0.825 84 E CB -0.563 29.140 29.700 0.005 0.000 0.756 84 E HN 0.633 nan 8.360 nan 0.000 0.454 85 N N 1.204 119.905 118.700 0.002 0.000 2.265 85 N HA -0.051 4.689 4.740 -0.000 0.000 0.231 85 N C 0.036 175.550 175.510 0.005 0.000 1.266 85 N CA 0.824 53.874 53.050 -0.001 0.000 0.862 85 N CB 0.059 38.541 38.487 -0.009 0.000 1.100 85 N HN 0.265 nan 8.380 nan 0.000 0.439 86 T N -2.004 112.551 114.554 0.002 0.000 2.882 86 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 86 T C 1.329 176.031 174.700 0.002 0.000 1.014 86 T CA -0.670 61.433 62.100 0.005 0.000 1.049 86 T CB 1.158 70.027 68.868 0.001 0.000 1.001 86 T HN 0.341 nan 8.240 nan 0.000 0.525 87 R N 0.921 121.424 120.500 0.004 0.000 2.139 87 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 87 R C 1.468 177.761 176.300 -0.013 0.000 1.145 87 R CA 1.929 58.027 56.100 -0.004 0.000 0.976 87 R CB -0.511 29.780 30.300 -0.015 0.000 0.866 87 R HN 0.719 nan 8.270 nan 0.000 0.449 88 D N 0.291 120.682 120.400 -0.015 0.000 2.219 88 D HA -0.117 4.522 4.640 -0.000 0.000 0.205 88 D C 1.618 177.906 176.300 -0.019 0.000 0.970 88 D CA 1.056 55.043 54.000 -0.021 0.000 0.851 88 D CB 0.065 40.852 40.800 -0.020 0.000 0.943 88 D HN 0.437 nan 8.370 nan 0.000 0.488 89 E N 0.042 120.234 120.200 -0.014 0.000 2.122 89 E HA -0.025 4.325 4.350 -0.000 0.000 0.190 89 E C 1.528 178.118 176.600 -0.016 0.000 0.977 89 E CA 0.319 56.710 56.400 -0.015 0.000 0.820 89 E CB -0.067 29.625 29.700 -0.014 0.000 0.770 89 E HN 0.202 nan 8.360 nan 0.000 0.462 90 N N 1.540 120.235 118.700 -0.010 0.000 2.166 90 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 90 N C 1.984 177.512 175.510 0.031 0.000 1.019 90 N CA 0.916 53.963 53.050 -0.004 0.000 0.856 90 N CB -0.121 38.375 38.487 0.014 0.000 0.993 90 N HN 0.203 nan 8.380 nan 0.000 0.426 91 I N 1.139 121.722 120.570 0.021 0.000 2.264 91 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 91 I C 2.282 178.396 176.117 -0.005 0.000 1.111 91 I CA 0.876 62.180 61.300 0.007 0.000 1.382 91 I CB -0.251 37.721 38.000 -0.047 0.000 1.060 91 I HN 0.064 nan 8.210 nan 0.000 0.418 92 A N 0.872 123.683 122.820 -0.015 0.000 1.930 92 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 92 A C 2.273 179.853 177.584 -0.005 0.000 1.175 92 A CA 1.207 53.232 52.037 -0.020 0.000 0.627 92 A CB -0.653 18.334 19.000 -0.022 0.000 0.815 92 A HN 0.378 nan 8.150 nan 0.000 0.443 93 L N -2.212 119.002 121.223 -0.015 0.000 2.109 93 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 93 L C 2.450 179.272 176.870 -0.080 0.000 1.086 93 L CA 1.021 55.828 54.840 -0.054 0.000 0.760 93 L CB -0.540 41.430 42.059 -0.149 0.000 0.910 93 L HN 0.400 nan 8.230 nan 0.000 0.437 94 F N 1.238 121.037 119.950 -0.252 0.000 2.102 94 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 94 F C 2.508 178.131 175.800 -0.295 0.000 1.105 94 F CA 1.113 58.913 58.000 -0.332 0.000 1.239 94 F CB -0.577 38.281 39.000 -0.238 0.000 0.991 94 F HN 0.000 nan 8.300 nan 0.000 0.474 95 A N -0.441 122.411 122.820 0.055 0.000 1.933 95 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 95 A C 1.947 179.514 177.584 -0.030 0.000 1.175 95 A CA 2.030 54.039 52.037 -0.047 0.000 0.628 95 A CB -1.219 17.734 19.000 -0.078 0.000 0.814 95 A HN 0.483 nan 8.150 nan 0.000 0.444 96 D N -1.870 118.543 120.400 0.022 0.000 2.097 96 D HA -0.190 4.450 4.640 -0.000 0.000 0.195 96 D C 1.642 177.965 176.300 0.039 0.000 0.989 96 D CA 1.423 55.446 54.000 0.039 0.000 0.827 96 D CB -0.258 40.602 40.800 0.100 0.000 0.966 96 D HN 0.457 nan 8.370 nan 0.000 0.456 97 Y N 0.571 120.743 120.300 -0.214 0.000 2.181 97 Y HA -0.041 4.508 4.550 -0.000 0.000 0.288 97 Y C 2.341 178.047 175.900 -0.323 0.000 1.146 97 Y CA 0.684 58.600 58.100 -0.306 0.000 1.164 97 Y CB -0.475 37.627 38.460 -0.597 0.000 0.982 97 Y HN 0.118 nan 8.280 nan 0.000 0.515 98 I N -0.604 119.844 120.570 -0.204 0.000 2.286 98 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 98 I C 2.319 178.361 176.117 -0.125 0.000 1.115 98 I CA 1.315 62.526 61.300 -0.149 0.000 1.392 98 I CB -0.304 37.622 38.000 -0.123 0.000 1.065 98 I HN 0.172 nan 8.210 nan 0.000 0.418 99 R N 0.952 121.377 120.500 -0.125 0.000 2.062 99 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 99 R C 2.301 178.501 176.300 -0.167 0.000 1.136 99 R CA 1.329 57.347 56.100 -0.137 0.000 0.948 99 R CB -0.201 30.034 30.300 -0.109 0.000 0.845 99 R HN 0.274 nan 8.270 nan 0.000 0.430 100 K N 0.287 120.581 120.400 -0.176 0.000 2.152 100 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 100 K C 2.134 178.561 176.600 -0.288 0.000 1.048 100 K CA 1.341 57.502 56.287 -0.210 0.000 0.933 100 K CB -0.160 32.201 32.500 -0.233 0.000 0.721 100 K HN 0.170 nan 8.250 nan 0.000 0.447 101 A N 1.918 124.532 122.820 -0.343 0.000 1.845 101 A HA -0.262 4.058 4.320 -0.000 0.000 0.215 101 A C 1.952 179.192 177.584 -0.573 0.000 1.195 101 A CA 2.119 53.693 52.037 -0.771 0.000 0.616 101 A CB -0.791 17.766 19.000 -0.739 0.000 0.832 101 A HN 0.384 nan 8.150 nan 0.000 0.443 102 D N -0.414 119.788 120.400 -0.330 0.000 2.149 102 D HA -0.062 4.578 4.640 -0.000 0.000 0.198 102 D C 1.921 178.110 176.300 -0.185 0.000 0.990 102 D CA 1.660 55.527 54.000 -0.222 0.000 0.839 102 D CB -0.151 40.516 40.800 -0.222 0.000 0.948 102 D HN 0.362 nan 8.370 nan 0.000 0.460 103 A N 0.352 123.052 122.820 -0.201 0.000 1.898 103 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 103 A C 2.132 179.617 177.584 -0.165 0.000 1.181 103 A CA 1.096 53.038 52.037 -0.158 0.000 0.620 103 A CB -0.607 18.302 19.000 -0.151 0.000 0.819 103 A HN 0.333 nan 8.150 nan 0.000 0.442 104 I N -0.880 119.539 120.570 -0.252 0.000 2.423 104 I HA -0.095 4.075 4.170 -0.000 0.000 0.254 104 I C 1.883 177.919 176.117 -0.135 0.000 1.151 104 I CA 1.580 62.713 61.300 -0.280 0.000 1.421 104 I CB -1.801 35.906 38.000 -0.489 0.000 1.079 104 I HN 0.598 nan 8.210 nan 0.000 0.431 105 G N -0.086 108.648 108.800 -0.111 0.000 2.154 105 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.186 105 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.186 105 G C 0.584 175.505 174.900 0.035 0.000 1.000 105 G CA -0.135 44.961 45.100 -0.007 0.000 0.664 105 G HN 0.697 nan 8.290 nan 0.000 0.513 106 G N -1.045 107.729 108.800 -0.043 0.000 2.522 106 G HA2 0.675 4.634 3.960 -0.000 0.000 0.304 106 G HA3 0.675 4.634 3.960 -0.000 0.000 0.304 106 G C -0.202 174.736 174.900 0.064 0.000 1.210 106 G CA -0.163 44.968 45.100 0.051 0.000 0.960 106 G HN 0.882 nan 8.290 nan 0.000 0.497 107 V N 1.442 121.431 119.914 0.125 0.000 2.427 107 V HA 0.285 4.405 4.120 -0.000 0.000 0.286 107 V C -0.247 175.915 176.094 0.115 0.000 1.034 107 V CA -1.054 61.325 62.300 0.132 0.000 0.893 107 V CB 1.390 33.229 31.823 0.026 0.000 0.982 107 V HN 0.625 nan 8.190 nan 0.000 0.452 108 N N 2.167 120.948 118.700 0.136 0.000 2.456 108 N HA 0.447 5.187 4.740 -0.000 0.000 0.288 108 N C -0.404 175.177 175.510 0.119 0.000 1.059 108 N CA -0.114 53.055 53.050 0.198 0.000 0.946 108 N CB 2.147 40.800 38.487 0.276 0.000 1.150 108 N HN 0.687 nan 8.380 nan 0.000 0.479 109 T N 0.356 114.971 114.554 0.102 0.000 2.906 109 T HA 0.603 4.953 4.350 -0.000 0.000 0.295 109 T C -1.316 173.473 174.700 0.148 0.000 1.061 109 T CA -0.491 61.639 62.100 0.050 0.000 1.000 109 T CB 1.079 69.923 68.868 -0.040 0.000 1.103 109 T HN 0.078 nan 8.240 nan 0.000 0.486 110 V N 3.661 123.647 119.914 0.119 0.000 2.733 110 V HA 0.647 4.767 4.120 -0.000 0.000 0.306 110 V C -0.011 176.100 176.094 0.028 0.000 1.084 110 V CA -0.890 61.531 62.300 0.200 0.000 0.905 110 V CB 1.922 33.924 31.823 0.298 0.000 1.010 110 V HN 1.101 nan 8.190 nan 0.000 0.424 111 S N 2.753 118.479 115.700 0.042 0.000 2.739 111 S HA 0.967 5.437 4.470 -0.000 0.000 0.306 111 S C -0.257 174.316 174.600 -0.045 0.000 1.115 111 S CA -0.353 57.777 58.200 -0.116 0.000 0.985 111 S CB 2.284 65.449 63.200 -0.058 0.000 1.133 111 S HN 1.646 nan 8.310 nan 0.000 0.541 112 A N 0.929 123.630 122.820 -0.199 0.000 2.569 112 A HA 0.549 4.869 4.320 -0.000 0.000 0.282 112 A C -1.232 176.211 177.584 -0.235 0.000 1.165 112 A CA -0.649 51.304 52.037 -0.140 0.000 0.747 112 A CB -0.100 18.702 19.000 -0.330 0.000 1.215 112 A HN 0.857 nan 8.150 nan 0.000 0.431 113 H N 1.522 120.553 119.070 -0.065 0.000 2.799 113 H HA 0.305 4.861 4.556 -0.000 0.000 0.225 113 H C 0.318 175.771 175.328 0.209 0.000 1.904 113 H CA 0.042 56.022 56.048 -0.113 0.000 1.344 113 H CB -0.256 29.129 29.762 -0.628 0.000 1.744 113 H HN 0.396 nan 8.280 nan 0.000 0.542 114 V N 2.255 122.241 119.914 0.120 0.000 2.644 114 V HA -0.111 4.009 4.120 -0.000 0.000 0.305 114 V C 1.033 177.440 176.094 0.521 0.000 1.053 114 V CA -0.089 62.289 62.300 0.129 0.000 1.186 114 V CB -0.025 31.698 31.823 -0.167 0.000 0.895 114 V HN 0.720 nan 8.190 nan 0.000 0.490 115 E N 4.147 124.484 120.200 0.228 0.000 2.404 115 E HA -0.003 4.347 4.350 -0.000 0.000 0.261 115 E C 0.157 176.615 176.600 -0.237 0.000 1.074 115 E CA -0.649 55.834 56.400 0.139 0.000 0.917 115 E CB 0.403 30.163 29.700 0.099 0.000 0.965 115 E HN 0.588 nan 8.360 nan 0.000 0.433 116 N N 2.892 121.459 118.700 -0.222 0.000 2.605 116 N HA -0.019 4.721 4.740 -0.000 0.000 0.258 116 N C -0.068 175.132 175.510 -0.517 0.000 1.156 116 N CA -0.152 52.466 53.050 -0.721 0.000 1.008 116 N CB -0.283 37.936 38.487 -0.447 0.000 1.354 116 N HN 0.463 nan 8.380 nan 0.000 0.509 117 F N 1.853 121.627 119.950 -0.292 0.000 2.085 117 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 117 F C 2.383 178.134 175.800 -0.081 0.000 1.096 117 F CA 1.001 58.951 58.000 -0.085 0.000 1.227 117 F CB -0.906 38.086 39.000 -0.014 0.000 0.983 117 F HN 0.246 nan 8.300 nan 0.000 0.482 118 V N -0.151 119.673 119.914 -0.149 0.000 2.255 118 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 118 V C 2.415 178.464 176.094 -0.074 0.000 1.051 118 V CA 2.538 64.677 62.300 -0.268 0.000 1.018 118 V CB -1.218 30.323 31.823 -0.469 0.000 0.641 118 V HN 0.614 nan 8.190 nan 0.000 0.445 119 T N -3.336 111.148 114.554 -0.116 0.000 3.040 119 T HA 0.350 4.700 4.350 -0.000 0.000 0.250 119 T C 1.503 176.189 174.700 -0.023 0.000 1.058 119 T CA 1.074 63.138 62.100 -0.059 0.000 0.988 119 T CB 0.795 69.615 68.868 -0.081 0.000 0.993 119 T HN 1.013 nan 8.240 nan 0.000 0.519 120 G N 0.553 109.344 108.800 -0.015 0.000 2.179 120 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.260 120 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.260 120 G C 0.627 175.527 174.900 -0.001 0.000 0.977 120 G CA 0.068 45.179 45.100 0.017 0.000 0.641 120 G HN 1.035 nan 8.290 nan 0.000 0.533 121 G N -0.001 108.779 108.800 -0.033 0.000 2.516 121 G HA2 0.652 4.612 3.960 -0.000 0.000 0.276 121 G HA3 0.652 4.612 3.960 -0.000 0.000 0.276 121 G C 0.726 175.614 174.900 -0.020 0.000 1.390 121 G CA 0.997 46.080 45.100 -0.028 0.000 1.050 121 G HN 1.610 nan 8.290 nan 0.000 0.519 122 S N -1.597 114.075 115.700 -0.047 0.000 2.738 122 S HA 0.417 4.887 4.470 -0.000 0.000 0.284 122 S C 1.217 175.823 174.600 0.010 0.000 1.146 122 S CA 0.066 58.196 58.200 -0.117 0.000 0.997 122 S CB 0.853 63.787 63.200 -0.444 0.000 1.081 122 S HN 0.811 nan 8.310 nan 0.000 0.553 123 F N -1.172 118.997 119.950 0.366 0.000 2.307 123 F HA 0.040 4.566 4.527 -0.000 0.000 0.301 123 F C 1.722 177.808 175.800 0.478 0.000 1.076 123 F CA 0.530 58.801 58.000 0.452 0.000 1.383 123 F CB -1.021 38.145 39.000 0.276 0.000 1.055 123 F HN 0.458 nan 8.300 nan 0.000 0.526 124 Y N 0.895 121.120 120.300 -0.124 0.000 2.516 124 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 124 Y C 0.781 176.707 175.900 0.043 0.000 1.131 124 Y CA -0.041 58.102 58.100 0.072 0.000 1.281 124 Y CB -0.828 37.587 38.460 -0.075 0.000 1.013 124 Y HN 0.079 nan 8.280 nan 0.000 0.554 125 D N 0.617 121.122 120.400 0.174 0.000 2.344 125 D HA -0.011 4.629 4.640 -0.000 0.000 0.253 125 D C 0.574 176.920 176.300 0.076 0.000 1.255 125 D CA 0.268 54.315 54.000 0.077 0.000 0.894 125 D CB 0.619 41.430 40.800 0.018 0.000 1.067 125 D HN 0.213 nan 8.370 nan 0.000 0.492 126 T N 0.376 114.915 114.554 -0.025 0.000 3.287 126 T HA 0.244 4.594 4.350 -0.000 0.000 0.253 126 T C 0.627 175.134 174.700 -0.322 0.000 0.975 126 T CA -0.632 61.323 62.100 -0.241 0.000 0.912 126 T CB -0.431 68.189 68.868 -0.413 0.000 1.071 126 T HN 0.211 nan 8.240 nan 0.000 0.578 127 S N -0.737 114.866 115.700 -0.162 0.000 2.739 127 S HA 0.758 5.228 4.470 -0.000 0.000 0.306 127 S C 1.241 175.756 174.600 -0.141 0.000 1.115 127 S CA -0.158 57.964 58.200 -0.130 0.000 0.985 127 S CB 1.101 64.257 63.200 -0.073 0.000 1.133 127 S HN 1.135 nan 8.310 nan 0.000 0.541 128 G N 0.136 108.871 108.800 -0.107 0.000 2.199 128 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 128 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 128 G C 0.238 175.062 174.900 -0.126 0.000 0.982 128 G CA 0.564 45.588 45.100 -0.127 0.000 0.632 128 G HN 1.374 nan 8.290 nan 0.000 0.529 129 D N -0.876 119.475 120.400 -0.082 0.000 2.870 129 D HA -0.163 4.477 4.640 -0.000 0.000 0.228 129 D C 1.482 177.763 176.300 -0.032 0.000 1.147 129 D CA 1.999 55.990 54.000 -0.015 0.000 0.757 129 D CB -1.399 39.400 40.800 -0.001 0.000 1.091 129 D HN 0.627 nan 8.370 nan 0.000 0.429 130 T N -0.356 114.136 114.554 -0.104 0.000 2.778 130 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 130 T C 1.889 176.648 174.700 0.099 0.000 1.050 130 T CA 0.955 62.931 62.100 -0.207 0.000 1.137 130 T CB 0.043 68.488 68.868 -0.704 0.000 0.860 130 T HN 0.299 nan 8.240 nan 0.000 0.468 131 L N 1.727 123.182 121.223 0.387 0.000 1.955 131 L HA -0.072 4.267 4.340 -0.000 0.000 0.213 131 L C 2.339 179.338 176.870 0.216 0.000 1.072 131 L CA 1.949 57.056 54.840 0.444 0.000 0.755 131 L CB -0.895 41.406 42.059 0.403 0.000 0.888 131 L HN 0.200 nan 8.230 nan 0.000 0.432 132 R N -0.568 120.021 120.500 0.149 0.000 2.189 132 R HA -0.021 4.319 4.340 -0.000 0.000 0.223 132 R C 1.996 178.326 176.300 0.050 0.000 1.092 132 R CA 0.966 57.114 56.100 0.080 0.000 0.989 132 R CB -0.301 30.039 30.300 0.066 0.000 0.876 132 R HN 0.513 nan 8.270 nan 0.000 0.457 133 A N 0.119 122.962 122.820 0.038 0.000 2.208 133 A HA 0.034 4.354 4.320 -0.000 0.000 0.209 133 A C 1.870 179.505 177.584 0.085 0.000 1.161 133 A CA 0.540 52.592 52.037 0.026 0.000 0.782 133 A CB 0.308 19.245 19.000 -0.106 0.000 0.816 133 A HN 0.139 nan 8.150 nan 0.000 0.477 134 V N -0.234 119.742 119.914 0.104 0.000 3.565 134 V HA 0.201 4.321 4.120 -0.000 0.000 0.260 134 V C 0.872 177.067 176.094 0.169 0.000 1.231 134 V CA 0.122 62.508 62.300 0.143 0.000 1.100 134 V CB -0.210 31.749 31.823 0.227 0.000 0.807 134 V HN 0.474 nan 8.190 nan 0.000 0.454 135 L N 1.116 122.390 121.223 0.085 0.000 2.474 135 L HA 0.202 4.542 4.340 -0.000 0.000 0.259 135 L C -2.024 174.742 176.870 -0.173 0.000 1.232 135 L CA -1.478 53.361 54.840 -0.001 0.000 0.821 135 L CB -0.485 41.551 42.059 -0.038 0.000 1.108 135 L HN 0.028 nan 8.230 nan 0.000 0.495 136 P HA -0.022 nan 4.420 nan 0.000 0.260 136 P C 0.584 177.517 177.300 -0.612 0.000 1.172 136 P CA 1.219 63.809 63.100 -0.850 0.000 0.760 136 P CB 0.446 31.646 31.700 -0.833 0.000 0.773 137 G N 2.180 110.621 108.800 -0.599 0.000 2.179 137 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.260 137 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.260 137 G C 0.616 175.414 174.900 -0.170 0.000 0.977 137 G CA -0.218 44.692 45.100 -0.318 0.000 0.641 137 G HN 0.875 nan 8.290 nan 0.000 0.533 138 G N -0.006 108.712 108.800 -0.136 0.000 2.539 138 G HA2 0.561 4.521 3.960 -0.000 0.000 0.258 138 G HA3 0.561 4.521 3.960 -0.000 0.000 0.258 138 G C 1.232 176.165 174.900 0.055 0.000 1.202 138 G CA 0.905 45.999 45.100 -0.010 0.000 0.851 138 G HN 1.270 nan 8.290 nan 0.000 0.556 139 S N -0.383 115.376 115.700 0.098 0.000 2.500 139 S HA -0.099 4.371 4.470 -0.000 0.000 0.239 139 S C 1.124 175.822 174.600 0.164 0.000 0.989 139 S CA 1.255 59.538 58.200 0.138 0.000 0.951 139 S CB -0.165 63.151 63.200 0.194 0.000 0.759 139 S HN 0.632 nan 8.310 nan 0.000 0.523 140 H N -1.332 117.738 119.070 0.001 0.000 2.767 140 H HA 0.335 4.891 4.556 -0.000 0.000 0.260 140 H C 1.034 176.318 175.328 -0.072 0.000 1.172 140 H CA -0.325 55.703 56.048 -0.033 0.000 1.048 140 H CB -0.187 29.558 29.762 -0.027 0.000 1.697 140 H HN 0.491 nan 8.280 nan 0.000 0.606 141 H N 1.183 120.239 119.070 -0.022 0.000 2.357 141 H HA -0.174 4.382 4.556 -0.000 0.000 0.296 141 H C 2.198 177.460 175.328 -0.110 0.000 1.108 141 H CA 2.077 58.073 56.048 -0.088 0.000 1.273 141 H CB 0.113 29.809 29.762 -0.110 0.000 1.367 141 H HN 0.407 nan 8.280 nan 0.000 0.498 142 A N 0.949 123.706 122.820 -0.106 0.000 1.978 142 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 142 A C 2.230 179.687 177.584 -0.211 0.000 1.170 142 A CA 1.790 53.739 52.037 -0.147 0.000 0.636 142 A CB -0.322 18.640 19.000 -0.063 0.000 0.810 142 A HN 0.649 nan 8.150 nan 0.000 0.448 143 E N -0.372 119.669 120.200 -0.264 0.000 2.031 143 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 143 E C 2.018 178.271 176.600 -0.578 0.000 0.994 143 E CA 1.354 57.522 56.400 -0.387 0.000 0.800 143 E CB -0.656 28.735 29.700 -0.515 0.000 0.752 143 E HN 0.543 nan 8.360 nan 0.000 0.447 144 L N 1.481 122.283 121.223 -0.701 0.000 2.012 144 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 144 L C 2.395 179.169 176.870 -0.160 0.000 1.073 144 L CA 1.346 55.942 54.840 -0.406 0.000 0.748 144 L CB -0.617 41.358 42.059 -0.140 0.000 0.891 144 L HN -0.108 nan 8.230 nan 0.000 0.431 145 V N 0.348 120.072 119.914 -0.318 0.000 2.282 145 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 145 V C 2.851 178.859 176.094 -0.142 0.000 1.057 145 V CA 1.907 63.978 62.300 -0.382 0.000 1.032 145 V CB -1.489 30.111 31.823 -0.372 0.000 0.645 145 V HN 0.661 nan 8.190 nan 0.000 0.447 146 A N -1.261 121.518 122.820 -0.068 0.000 1.883 146 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 146 A C 2.155 179.806 177.584 0.111 0.000 1.186 146 A CA 2.300 54.352 52.037 0.026 0.000 0.624 146 A CB -0.846 18.164 19.000 0.017 0.000 0.822 146 A HN 0.619 nan 8.150 nan 0.000 0.444 147 Y N 0.364 120.689 120.300 0.042 0.000 2.145 147 Y HA -0.148 4.401 4.550 -0.000 0.000 0.286 147 Y C 2.087 178.077 175.900 0.149 0.000 1.145 147 Y CA 1.819 60.020 58.100 0.168 0.000 1.148 147 Y CB -0.241 38.429 38.460 0.349 0.000 0.981 147 Y HN 0.220 nan 8.280 nan 0.000 0.507 148 L N -0.379 121.057 121.223 0.356 0.000 2.131 148 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 148 L C 1.918 178.925 176.870 0.229 0.000 1.092 148 L CA 1.328 56.347 54.840 0.299 0.000 0.759 148 L CB -0.570 41.637 42.059 0.247 0.000 0.903 148 L HN 0.246 nan 8.230 nan 0.000 0.435 149 D N 0.083 120.607 120.400 0.206 0.000 2.144 149 D HA -0.173 4.467 4.640 -0.000 0.000 0.199 149 D C 1.654 177.970 176.300 0.027 0.000 0.984 149 D CA 1.170 55.252 54.000 0.137 0.000 0.834 149 D CB -0.089 40.781 40.800 0.117 0.000 0.955 149 D HN 0.309 nan 8.370 nan 0.000 0.465 150 D N 0.313 120.715 120.400 0.002 0.000 2.219 150 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 150 D C 2.198 178.450 176.300 -0.080 0.000 0.970 150 D CA 0.186 54.147 54.000 -0.066 0.000 0.851 150 D CB 0.004 40.723 40.800 -0.136 0.000 0.943 150 D HN 0.297 nan 8.370 nan 0.000 0.488 151 I N 0.657 121.210 120.570 -0.028 0.000 2.546 151 I HA -0.144 4.026 4.170 -0.000 0.000 0.255 151 I C 2.266 178.305 176.117 -0.131 0.000 1.163 151 I CA 0.470 61.745 61.300 -0.041 0.000 1.457 151 I CB -0.066 37.963 38.000 0.049 0.000 1.092 151 I HN -0.084 nan 8.210 nan 0.000 0.434 152 A N 0.270 123.009 122.820 -0.135 0.000 1.968 152 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 152 A C 2.198 179.656 177.584 -0.210 0.000 1.169 152 A CA 1.047 52.945 52.037 -0.232 0.000 0.638 152 A CB -0.238 18.654 19.000 -0.181 0.000 0.812 152 A HN 0.237 nan 8.150 nan 0.000 0.446 153 E N -0.227 119.885 120.200 -0.147 0.000 2.031 153 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 153 E C 1.983 178.485 176.600 -0.164 0.000 0.994 153 E CA 1.225 57.543 56.400 -0.136 0.000 0.800 153 E CB -0.610 29.029 29.700 -0.103 0.000 0.752 153 E HN 0.487 nan 8.360 nan 0.000 0.447 154 L N 0.909 122.018 121.223 -0.189 0.000 2.079 154 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 154 L C 2.160 178.900 176.870 -0.218 0.000 1.081 154 L CA 2.142 56.832 54.840 -0.250 0.000 0.752 154 L CB -0.813 41.014 42.059 -0.386 0.000 0.896 154 L HN 0.068 nan 8.230 nan 0.000 0.433 155 A N -0.770 121.921 122.820 -0.214 0.000 1.883 155 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 155 A C 2.138 179.593 177.584 -0.215 0.000 1.186 155 A CA 2.058 53.950 52.037 -0.243 0.000 0.624 155 A CB -1.091 17.508 19.000 -0.668 0.000 0.822 155 A HN 0.588 nan 8.150 nan 0.000 0.444 156 D N -0.740 119.529 120.400 -0.218 0.000 2.178 156 D HA 0.077 4.717 4.640 -0.000 0.000 0.202 156 D C 1.820 178.038 176.300 -0.137 0.000 0.974 156 D CA 1.186 55.083 54.000 -0.171 0.000 0.841 156 D CB -0.123 40.582 40.800 -0.158 0.000 0.953 156 D HN 0.349 nan 8.370 nan 0.000 0.478 157 A N -0.503 122.234 122.820 -0.137 0.000 2.119 157 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 157 A C 1.414 178.929 177.584 -0.115 0.000 1.152 157 A CA 0.218 52.186 52.037 -0.116 0.000 0.708 157 A CB -0.023 18.910 19.000 -0.111 0.000 0.805 157 A HN 0.134 nan 8.150 nan 0.000 0.460 158 S N 1.215 116.838 115.700 -0.128 0.000 3.900 158 S HA 0.341 4.810 4.470 -0.000 0.000 0.248 158 S C 0.100 174.629 174.600 -0.118 0.000 1.310 158 S CA 0.014 58.142 58.200 -0.121 0.000 0.915 158 S CB -0.432 62.701 63.200 -0.113 0.000 1.588 158 S HN 0.489 nan 8.310 nan 0.000 0.472 159 R N 1.065 121.497 120.500 -0.113 0.000 2.795 159 R HA 0.487 4.827 4.340 -0.000 0.000 0.275 159 R C -0.135 176.098 176.300 -0.113 0.000 0.981 159 R CA -0.950 55.082 56.100 -0.114 0.000 0.917 159 R CB 1.781 32.022 30.300 -0.098 0.000 1.202 159 R HN 0.353 nan 8.270 nan 0.000 0.469 160 R N 0.432 120.860 120.500 -0.120 0.000 2.649 160 R HA 0.067 4.407 4.340 -0.000 0.000 0.270 160 R C 0.411 176.658 176.300 -0.088 0.000 1.105 160 R CA -0.514 55.518 56.100 -0.113 0.000 1.193 160 R CB 0.412 30.639 30.300 -0.122 0.000 1.120 160 R HN 0.630 nan 8.270 nan 0.000 0.561 161 D N 1.253 121.606 120.400 -0.077 0.000 2.221 161 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 161 D C 0.813 177.079 176.300 -0.057 0.000 0.982 161 D CA 1.492 55.455 54.000 -0.062 0.000 0.857 161 D CB -0.075 40.692 40.800 -0.055 0.000 0.934 161 D HN 0.552 nan 8.370 nan 0.000 0.475 162 D N -0.816 119.547 120.400 -0.060 0.000 2.336 162 D HA 0.087 4.727 4.640 -0.000 0.000 0.229 162 D C 1.505 177.771 176.300 -0.057 0.000 1.061 162 D CA 0.697 54.666 54.000 -0.053 0.000 0.875 162 D CB -0.161 40.609 40.800 -0.050 0.000 0.904 162 D HN 0.191 nan 8.370 nan 0.000 0.525 163 G N -0.480 108.281 108.800 -0.065 0.000 2.179 163 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 163 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 163 G C 0.434 175.288 174.900 -0.077 0.000 0.977 163 G CA 0.407 45.467 45.100 -0.068 0.000 0.641 163 G HN 0.461 nan 8.290 nan 0.000 0.533 164 T N 2.058 116.562 114.554 -0.084 0.000 2.853 164 T HA 0.418 4.768 4.350 -0.000 0.000 0.298 164 T C 1.017 175.646 174.700 -0.118 0.000 0.978 164 T CA -0.124 61.919 62.100 -0.095 0.000 1.152 164 T CB 0.930 69.737 68.868 -0.102 0.000 0.914 164 T HN 0.342 nan 8.240 nan 0.000 0.539 165 L N 4.553 125.710 121.223 -0.110 0.000 2.513 165 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 165 L C 0.609 177.388 176.870 -0.153 0.000 1.187 165 L CA -0.425 54.344 54.840 -0.118 0.000 0.895 165 L CB 0.141 42.142 42.059 -0.098 0.000 1.147 165 L HN 0.451 nan 8.230 nan 0.000 0.483 166 I N 5.617 126.089 120.570 -0.164 0.000 2.471 166 I HA 0.178 4.348 4.170 -0.000 0.000 0.286 166 I C -1.933 174.106 176.117 -0.129 0.000 1.079 166 I CA -2.022 59.144 61.300 -0.222 0.000 1.398 166 I CB 0.582 38.468 38.000 -0.190 0.000 1.403 166 I HN 0.257 nan 8.210 nan 0.000 0.530 167 P HA 0.312 nan 4.420 nan 0.000 0.271 167 P C -0.569 176.774 177.300 0.070 0.000 1.218 167 P CA 0.069 63.191 63.100 0.037 0.000 0.780 167 P CB 0.715 32.513 31.700 0.164 0.000 0.901 168 I N 1.652 122.278 120.570 0.095 0.000 2.571 168 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 168 I C -0.668 175.382 176.117 -0.112 0.000 1.115 168 I CA -1.169 60.136 61.300 0.007 0.000 1.045 168 I CB 2.358 40.338 38.000 -0.033 0.000 1.238 168 I HN -0.081 nan 8.210 nan 0.000 0.424 169 V N 6.235 126.117 119.914 -0.053 0.000 2.356 169 V HA 0.131 4.251 4.120 -0.000 0.000 0.258 169 V C -0.219 175.824 176.094 -0.085 0.000 1.065 169 V CA -0.183 62.096 62.300 -0.034 0.000 0.935 169 V CB 0.264 32.117 31.823 0.049 0.000 1.061 169 V HN 0.393 nan 8.190 nan 0.000 0.484 170 F N 6.081 125.751 119.950 -0.466 0.000 2.424 170 F HA 0.460 4.987 4.527 -0.000 0.000 0.356 170 F C 0.677 176.394 175.800 -0.137 0.000 1.110 170 F CA -0.687 57.012 58.000 -0.502 0.000 1.161 170 F CB 0.576 38.993 39.000 -0.972 0.000 1.115 170 F HN 0.386 nan 8.300 nan 0.000 0.507 171 R N 8.409 128.624 120.500 -0.475 0.000 2.505 171 R HA 0.368 4.708 4.340 -0.000 0.000 0.284 171 R C -2.808 173.164 176.300 -0.547 0.000 1.324 171 R CA -1.925 54.003 56.100 -0.287 0.000 1.432 171 R CB 0.463 30.720 30.300 -0.073 0.000 1.107 171 R HN 0.354 nan 8.270 nan 0.000 0.587 172 P HA 0.045 nan 4.420 nan 0.000 0.281 172 P C -0.946 176.107 177.300 -0.411 0.000 1.249 172 P CA -0.169 62.367 63.100 -0.940 0.000 0.810 172 P CB 0.442 31.491 31.700 -1.086 0.000 1.008 173 W N 1.284 122.284 121.300 -0.499 0.000 6.880 173 W HA -0.215 4.445 4.660 -0.000 0.000 0.423 173 W C 1.029 177.624 176.519 0.128 0.000 1.695 173 W CA 0.001 56.937 57.345 -0.681 0.000 1.126 173 W CB -2.660 26.595 29.460 -0.342 0.000 2.925 173 W HN 0.452 nan 8.180 nan 0.000 1.530 174 H N -0.255 118.949 119.070 0.224 0.000 2.508 174 H HA 0.411 4.967 4.556 -0.000 0.000 0.358 174 H C 0.917 176.570 175.328 0.543 0.000 1.212 174 H CA -0.235 56.009 56.048 0.326 0.000 1.356 174 H CB 0.673 30.538 29.762 0.171 0.000 1.525 174 H HN 0.444 nan 8.280 nan 0.000 0.578 175 E N 0.231 120.637 120.200 0.343 0.000 2.360 175 E HA -0.259 4.091 4.350 -0.000 0.000 0.238 175 E C 0.716 177.333 176.600 0.029 0.000 1.186 175 E CA 0.676 57.237 56.400 0.269 0.000 0.719 175 E CB -0.902 29.118 29.700 0.533 0.000 1.236 175 E HN 0.836 nan 8.360 nan 0.000 0.386 176 N N -0.351 118.376 118.700 0.046 0.000 2.396 176 N HA -0.130 4.610 4.740 -0.000 0.000 0.180 176 N C 1.773 177.129 175.510 -0.255 0.000 1.028 176 N CA 1.100 54.093 53.050 -0.095 0.000 0.893 176 N CB -0.097 38.218 38.487 -0.286 0.000 0.967 176 N HN 0.298 nan 8.380 nan 0.000 0.440 177 A N 1.169 123.885 122.820 -0.173 0.000 1.917 177 A HA 0.047 4.367 4.320 -0.000 0.000 0.219 177 A C 1.552 178.966 177.584 -0.284 0.000 1.182 177 A CA 1.558 53.523 52.037 -0.119 0.000 0.633 177 A CB -1.247 17.802 19.000 0.082 0.000 0.819 177 A HN 0.489 nan 8.150 nan 0.000 0.448 178 G N -2.430 106.023 108.800 -0.578 0.000 2.563 178 G HA2 0.421 4.381 3.960 -0.000 0.000 0.283 178 G HA3 0.421 4.381 3.960 -0.000 0.000 0.283 178 G C 0.276 174.535 174.900 -1.067 0.000 1.309 178 G CA 0.388 44.868 45.100 -1.034 0.000 1.022 178 G HN 0.260 nan 8.290 nan 0.000 0.501 179 S N -0.536 114.616 115.700 -0.913 0.000 2.843 179 S HA 0.091 4.561 4.470 -0.000 0.000 0.249 179 S C 0.644 175.069 174.600 -0.291 0.000 1.047 179 S CA -0.489 57.394 58.200 -0.527 0.000 1.042 179 S CB -0.053 62.911 63.200 -0.394 0.000 0.936 179 S HN 0.744 nan 8.310 nan 0.000 0.531 180 W N -0.038 121.081 121.300 -0.301 0.000 3.180 180 W HA 0.546 5.206 4.660 -0.000 0.000 0.254 180 W C -0.513 175.807 176.519 -0.333 0.000 1.318 180 W CA -0.506 56.606 57.345 -0.387 0.000 1.608 180 W CB -0.483 28.636 29.460 -0.568 0.000 1.124 180 W HN 0.001 nan 8.180 nan 0.000 0.694 181 F N 1.173 120.881 119.950 -0.403 0.000 2.538 181 F HA 0.289 4.816 4.527 -0.000 0.000 0.325 181 F C 1.361 176.768 175.800 -0.655 0.000 1.066 181 F CA -2.679 54.873 58.000 -0.746 0.000 0.946 181 F CB 0.367 38.257 39.000 -1.850 0.000 1.199 181 F HN 0.026 nan 8.300 nan 0.000 0.473 182 W N 0.575 121.707 121.300 -0.280 0.000 2.611 182 W HA -0.107 4.553 4.660 -0.000 0.000 0.251 182 W C 0.538 177.103 176.519 0.077 0.000 1.265 182 W CA 0.383 57.592 57.345 -0.225 0.000 1.295 182 W CB -1.058 28.337 29.460 -0.107 0.000 1.129 182 W HN 0.796 nan 8.180 nan 0.000 0.630 183 W N 1.971 123.205 121.300 -0.111 0.000 3.305 183 W HA 0.688 5.348 4.660 -0.000 0.000 0.392 183 W C 0.570 177.183 176.519 0.157 0.000 1.121 183 W CA -1.188 56.147 57.345 -0.016 0.000 1.909 183 W CB -0.856 28.411 29.460 -0.321 0.000 1.065 183 W HN -0.165 nan 8.180 nan 0.000 0.714 184 G N 0.489 109.336 108.800 0.079 0.000 2.588 184 G HA2 0.365 4.325 3.960 -0.000 0.000 0.281 184 G HA3 0.365 4.325 3.960 -0.000 0.000 0.281 184 G C 1.037 175.860 174.900 -0.128 0.000 1.236 184 G CA -0.306 44.731 45.100 -0.105 0.000 0.969 184 G HN 0.301 nan 8.290 nan 0.000 0.504 185 A N -0.116 122.543 122.820 -0.268 0.000 1.948 185 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 185 A C 2.534 179.923 177.584 -0.325 0.000 1.177 185 A CA 2.570 54.466 52.037 -0.235 0.000 0.636 185 A CB -0.694 18.175 19.000 -0.218 0.000 0.815 185 A HN 1.392 nan 8.150 nan 0.000 0.449 186 A N -2.250 120.180 122.820 -0.651 0.000 2.235 186 A HA 0.260 4.580 4.320 -0.000 0.000 0.208 186 A C 1.023 178.131 177.584 -0.793 0.000 1.172 186 A CA 0.755 52.330 52.037 -0.770 0.000 0.786 186 A CB -0.467 17.988 19.000 -0.909 0.000 0.804 186 A HN 0.618 nan 8.150 nan 0.000 0.479 187 Y N -1.311 118.997 120.300 0.015 0.000 2.641 187 Y HA 0.496 5.046 4.550 -0.000 0.000 0.248 187 Y C 0.913 176.863 175.900 0.084 0.000 1.170 187 Y CA -0.633 57.502 58.100 0.059 0.000 1.201 187 Y CB 0.272 38.791 38.460 0.099 0.000 1.232 187 Y HN 0.236 nan 8.280 nan 0.000 0.537 188 G N -0.198 108.677 108.800 0.124 0.000 2.556 188 G HA2 0.406 4.366 3.960 -0.000 0.000 0.294 188 G HA3 0.406 4.366 3.960 -0.000 0.000 0.294 188 G C -0.990 173.959 174.900 0.081 0.000 1.516 188 G CA -0.678 44.498 45.100 0.126 0.000 0.824 188 G HN 0.072 nan 8.290 nan 0.000 0.535 189 S N 1.009 116.754 115.700 0.075 0.000 2.624 189 S HA 0.547 5.017 4.470 -0.000 0.000 0.263 189 S C -1.460 173.197 174.600 0.096 0.000 1.287 189 S CA -0.828 57.407 58.200 0.059 0.000 0.990 189 S CB 1.981 65.208 63.200 0.044 0.000 0.950 189 S HN 0.244 nan 8.310 nan 0.000 0.561 190 P HA -0.030 nan 4.420 nan 0.000 0.216 190 P C 1.699 179.082 177.300 0.137 0.000 1.150 190 P CA 1.728 64.894 63.100 0.111 0.000 0.843 190 P CB -0.481 31.260 31.700 0.068 0.000 0.787 191 G N -0.019 108.830 108.800 0.082 0.000 2.421 191 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 191 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 191 G C 1.431 176.366 174.900 0.059 0.000 1.171 191 G CA 0.602 45.735 45.100 0.056 0.000 0.775 191 G HN 0.283 nan 8.290 nan 0.000 0.543 192 E N -0.625 119.619 120.200 0.073 0.000 2.110 192 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 192 E C 2.075 178.714 176.600 0.065 0.000 0.988 192 E CA 1.025 57.462 56.400 0.062 0.000 0.804 192 E CB -0.259 29.485 29.700 0.074 0.000 0.745 192 E HN 0.593 nan 8.360 nan 0.000 0.458 193 Y N 2.080 122.397 120.300 0.029 0.000 2.114 193 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 193 Y C 2.210 178.126 175.900 0.027 0.000 1.143 193 Y CA 1.903 60.027 58.100 0.040 0.000 1.135 193 Y CB -0.170 38.346 38.460 0.094 0.000 0.980 193 Y HN -0.027 nan 8.280 nan 0.000 0.499 194 Q N -0.112 119.678 119.800 -0.016 0.000 2.077 194 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 194 Q C 2.050 177.930 176.000 -0.200 0.000 0.989 194 Q CA 1.793 57.505 55.803 -0.151 0.000 0.853 194 Q CB -0.218 28.463 28.738 -0.095 0.000 0.907 194 Q HN 0.473 nan 8.270 nan 0.000 0.418 195 E N 0.647 120.792 120.200 -0.092 0.000 2.153 195 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 195 E C 1.985 178.593 176.600 0.013 0.000 0.988 195 E CA 0.612 57.011 56.400 -0.000 0.000 0.811 195 E CB -0.257 29.466 29.700 0.039 0.000 0.746 195 E HN 0.222 nan 8.360 nan 0.000 0.466 196 L N 0.055 121.205 121.223 -0.122 0.000 2.017 196 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 196 L C 2.319 179.108 176.870 -0.135 0.000 1.073 196 L CA 1.704 56.428 54.840 -0.193 0.000 0.745 196 L CB -0.859 40.888 42.059 -0.519 0.000 0.894 196 L HN 0.065 nan 8.230 nan 0.000 0.432 197 Y N 0.377 120.448 120.300 -0.382 0.000 2.145 197 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 197 Y C 2.729 178.577 175.900 -0.088 0.000 1.145 197 Y CA 1.952 59.969 58.100 -0.138 0.000 1.148 197 Y CB -0.155 38.159 38.460 -0.243 0.000 0.981 197 Y HN 0.150 nan 8.280 nan 0.000 0.507 198 R N -1.117 119.333 120.500 -0.083 0.000 2.091 198 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 198 R C 2.185 178.526 176.300 0.068 0.000 1.136 198 R CA 1.828 57.700 56.100 -0.380 0.000 0.959 198 R CB -0.898 28.846 30.300 -0.926 0.000 0.856 198 R HN 0.415 nan 8.270 nan 0.000 0.437 199 F N 1.747 121.775 119.950 0.131 0.000 2.216 199 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 199 F C 1.878 177.838 175.800 0.266 0.000 1.085 199 F CA 1.499 59.668 58.000 0.283 0.000 1.326 199 F CB -0.327 38.887 39.000 0.356 0.000 1.027 199 F HN -0.125 nan 8.300 nan 0.000 0.497 200 T N 0.146 114.746 114.554 0.076 0.000 2.701 200 T HA -0.158 4.192 4.350 -0.000 0.000 0.263 200 T C 2.217 176.926 174.700 0.015 0.000 1.040 200 T CA 1.769 63.911 62.100 0.071 0.000 1.147 200 T CB -0.766 68.275 68.868 0.289 0.000 0.865 200 T HN 0.122 nan 8.240 nan 0.000 0.426 201 V N 1.823 121.720 119.914 -0.028 0.000 2.287 201 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 201 V C 2.502 178.541 176.094 -0.091 0.000 1.053 201 V CA 1.881 64.073 62.300 -0.180 0.000 1.027 201 V CB -0.668 31.069 31.823 -0.142 0.000 0.646 201 V HN 0.585 nan 8.190 nan 0.000 0.447 202 E N -1.117 119.094 120.200 0.018 0.000 2.110 202 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 202 E C 2.123 178.653 176.600 -0.116 0.000 0.988 202 E CA 1.592 58.002 56.400 0.017 0.000 0.804 202 E CB -0.285 29.515 29.700 0.166 0.000 0.745 202 E HN 0.741 nan 8.360 nan 0.000 0.458 203 Y N 1.501 121.568 120.300 -0.389 0.000 2.181 203 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 203 Y C 1.893 177.657 175.900 -0.228 0.000 1.146 203 Y CA 1.367 59.206 58.100 -0.434 0.000 1.164 203 Y CB -0.072 37.903 38.460 -0.808 0.000 0.982 203 Y HN -0.071 nan 8.280 nan 0.000 0.515 204 L N -0.473 120.652 121.223 -0.165 0.000 2.044 204 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 204 L C 2.721 179.480 176.870 -0.184 0.000 1.075 204 L CA 1.581 56.317 54.840 -0.174 0.000 0.747 204 L CB -0.553 41.511 42.059 0.009 0.000 0.903 204 L HN 0.093 nan 8.230 nan 0.000 0.435 205 R N 0.338 120.789 120.500 -0.082 0.000 2.056 205 R HA -0.136 4.204 4.340 -0.000 0.000 0.227 205 R C 1.937 178.170 176.300 -0.112 0.000 1.149 205 R CA 1.907 57.973 56.100 -0.057 0.000 0.937 205 R CB -0.144 30.149 30.300 -0.011 0.000 0.835 205 R HN 0.278 nan 8.270 nan 0.000 0.430 206 D N -0.113 120.220 120.400 -0.112 0.000 2.123 206 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 206 D C 1.998 178.198 176.300 -0.166 0.000 0.976 206 D CA 1.130 55.067 54.000 -0.105 0.000 0.831 206 D CB -0.004 40.764 40.800 -0.054 0.000 0.974 206 D HN 0.166 nan 8.370 nan 0.000 0.469 207 V N 1.081 120.824 119.914 -0.286 0.000 2.426 207 V HA -0.065 4.055 4.120 -0.000 0.000 0.242 207 V C 2.061 177.907 176.094 -0.413 0.000 1.036 207 V CA 1.046 63.118 62.300 -0.380 0.000 1.044 207 V CB -0.126 31.333 31.823 -0.607 0.000 0.688 207 V HN 0.008 nan 8.190 nan 0.000 0.462 208 K N 0.276 120.376 120.400 -0.500 0.000 2.361 208 K HA 0.232 4.552 4.320 -0.000 0.000 0.196 208 K C 1.642 178.083 176.600 -0.264 0.000 1.039 208 K CA 0.856 56.912 56.287 -0.384 0.000 1.001 208 K CB -0.192 32.062 32.500 -0.411 0.000 0.795 208 K HN 0.560 nan 8.250 nan 0.000 0.495 209 G N 1.487 110.148 108.800 -0.231 0.000 2.148 209 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.254 209 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.254 209 G C 0.265 175.051 174.900 -0.190 0.000 0.981 209 G CA 0.306 45.301 45.100 -0.175 0.000 0.670 209 G HN 0.107 nan 8.290 nan 0.000 0.528 210 V N 0.998 120.756 119.914 -0.260 0.000 2.752 210 V HA 0.314 4.434 4.120 -0.000 0.000 0.306 210 V C 1.488 177.451 176.094 -0.220 0.000 1.099 210 V CA 1.637 63.722 62.300 -0.358 0.000 1.240 210 V CB 1.325 32.773 31.823 -0.625 0.000 0.887 210 V HN 1.188 nan 8.190 nan 0.000 0.499 211 S N 0.777 116.361 115.700 -0.195 0.000 2.847 211 S HA 0.099 4.569 4.470 -0.000 0.000 0.254 211 S C 0.495 175.074 174.600 -0.035 0.000 1.039 211 S CA -0.087 58.066 58.200 -0.078 0.000 1.113 211 S CB -0.050 63.112 63.200 -0.063 0.000 1.092 211 S HN 0.870 nan 8.310 nan 0.000 0.620 212 N N 0.899 119.559 118.700 -0.066 0.000 2.480 212 N HA 0.314 5.054 4.740 -0.000 0.000 0.281 212 N C -1.287 174.381 175.510 0.265 0.000 1.381 212 N CA -0.355 52.724 53.050 0.047 0.000 0.903 212 N CB -0.167 38.318 38.487 -0.004 0.000 1.274 212 N HN 0.206 nan 8.380 nan 0.000 0.505 213 F N 0.661 120.544 119.950 -0.110 0.000 2.520 213 F HA 0.563 5.090 4.527 -0.000 0.000 0.322 213 F C -0.163 175.518 175.800 -0.198 0.000 1.103 213 F CA -1.477 56.369 58.000 -0.258 0.000 0.926 213 F CB 1.862 40.518 39.000 -0.572 0.000 1.154 213 F HN -0.102 nan 8.300 nan 0.000 0.453 214 L N 4.559 125.763 121.223 -0.031 0.000 2.325 214 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 214 L C -1.163 175.725 176.870 0.030 0.000 1.004 214 L CA -0.959 53.948 54.840 0.111 0.000 0.823 214 L CB 1.389 43.542 42.059 0.158 0.000 1.236 214 L HN 0.444 nan 8.230 nan 0.000 0.415 215 Y N 2.019 122.509 120.300 0.316 0.000 2.316 215 Y HA 0.525 5.075 4.550 -0.000 0.000 0.331 215 Y C 0.613 176.759 175.900 0.410 0.000 1.083 215 Y CA -0.368 57.964 58.100 0.388 0.000 1.206 215 Y CB 1.265 40.008 38.460 0.472 0.000 1.195 215 Y HN 0.579 nan 8.280 nan 0.000 0.497 216 A N 3.541 126.666 122.820 0.508 0.000 2.355 216 A HA 0.687 5.007 4.320 -0.000 0.000 0.324 216 A C -1.936 176.018 177.584 0.615 0.000 1.117 216 A CA -0.648 51.674 52.037 0.475 0.000 0.785 216 A CB 0.743 19.939 19.000 0.327 0.000 1.254 216 A HN 0.863 nan 8.150 nan 0.000 0.453 217 W N 1.714 123.220 121.300 0.344 0.000 2.830 217 W HA 0.599 5.259 4.660 -0.000 0.000 0.335 217 W C -0.312 176.360 176.519 0.256 0.000 1.043 217 W CA -0.401 57.120 57.345 0.293 0.000 1.239 217 W CB 1.686 31.179 29.460 0.055 0.000 1.378 217 W HN 1.013 nan 8.180 nan 0.000 0.456 218 G N 7.279 115.790 108.800 -0.482 0.000 2.954 218 G HA2 0.290 4.250 3.960 -0.000 0.000 0.290 218 G HA3 0.290 4.250 3.960 -0.000 0.000 0.290 218 G C -1.841 172.760 174.900 -0.499 0.000 1.574 218 G CA -1.179 43.624 45.100 -0.495 0.000 1.088 218 G HN 0.330 nan 8.290 nan 0.000 0.557 219 P HA -0.010 nan 4.420 nan 0.000 0.218 219 P C 1.166 178.526 177.300 0.101 0.000 1.148 219 P CA 2.012 64.898 63.100 -0.357 0.000 0.822 219 P CB 0.860 32.294 31.700 -0.444 0.000 0.784 220 G N -1.701 107.274 108.800 0.292 0.000 2.530 220 G HA2 0.418 4.378 3.960 -0.000 0.000 0.081 220 G HA3 0.418 4.378 3.960 -0.000 0.000 0.081 220 G C -0.820 174.293 174.900 0.353 0.000 1.062 220 G CA -0.053 45.251 45.100 0.340 0.000 1.108 220 G HN 0.549 nan 8.290 nan 0.000 0.466 221 G N -2.265 106.478 108.800 -0.095 0.000 2.550 221 G HA2 0.690 4.650 3.960 -0.000 0.000 0.293 221 G HA3 0.690 4.650 3.960 -0.000 0.000 0.293 221 G C 0.547 175.053 174.900 -0.657 0.000 1.402 221 G CA 1.149 46.123 45.100 -0.210 0.000 0.784 221 G HN 2.420 nan 8.290 nan 0.000 0.482 222 G N -1.453 107.158 108.800 -0.316 0.000 2.324 222 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.292 222 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.292 222 G C 0.313 175.007 174.900 -0.344 0.000 1.079 222 G CA 0.711 45.677 45.100 -0.225 0.000 1.026 222 G HN 0.904 nan 8.290 nan 0.000 0.506 223 F N -0.046 119.937 119.950 0.056 0.000 2.746 223 F HA 0.377 4.904 4.527 -0.000 0.000 0.297 223 F C 2.168 177.982 175.800 0.023 0.000 1.113 223 F CA 0.520 58.554 58.000 0.058 0.000 1.367 223 F CB 0.442 39.492 39.000 0.083 0.000 1.111 223 F HN 0.883 nan 8.300 nan 0.000 0.590 224 G N 0.452 109.329 108.800 0.128 0.000 2.179 224 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.257 224 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.257 224 G C 1.276 176.210 174.900 0.057 0.000 1.010 224 G CA 0.309 45.449 45.100 0.066 0.000 0.736 224 G HN 1.169 nan 8.290 nan 0.000 0.513 225 G N -0.924 107.918 108.800 0.070 0.000 2.160 225 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.251 225 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.251 225 G C 0.225 175.130 174.900 0.008 0.000 1.008 225 G CA 0.784 45.883 45.100 -0.001 0.000 0.724 225 G HN 1.498 nan 8.290 nan 0.000 0.514 226 N N 0.406 119.153 118.700 0.078 0.000 2.448 226 N HA 0.221 4.961 4.740 -0.000 0.000 0.250 226 N C 1.714 177.256 175.510 0.054 0.000 1.136 226 N CA -0.256 52.839 53.050 0.075 0.000 0.953 226 N CB 0.138 38.700 38.487 0.125 0.000 1.251 226 N HN 0.474 nan 8.380 nan 0.000 0.502 227 R N 2.221 122.729 120.500 0.013 0.000 2.113 227 R HA -0.171 4.169 4.340 -0.000 0.000 0.244 227 R C 0.726 177.064 176.300 0.064 0.000 1.142 227 R CA 1.829 57.940 56.100 0.018 0.000 0.953 227 R CB 0.101 30.399 30.300 -0.003 0.000 0.860 227 R HN 0.619 nan 8.270 nan 0.000 0.438 228 D N -0.179 120.253 120.400 0.053 0.000 2.127 228 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 228 D C 1.987 178.332 176.300 0.075 0.000 1.000 228 D CA 1.671 55.705 54.000 0.057 0.000 0.839 228 D CB -0.444 40.387 40.800 0.052 0.000 0.955 228 D HN 0.087 nan 8.370 nan 0.000 0.446 229 V N 0.685 120.662 119.914 0.105 0.000 2.261 229 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 229 V C 2.277 178.429 176.094 0.096 0.000 1.047 229 V CA 1.598 63.984 62.300 0.144 0.000 1.015 229 V CB -0.876 31.095 31.823 0.247 0.000 0.642 229 V HN 0.129 nan 8.190 nan 0.000 0.446 230 Y N 0.902 121.082 120.300 -0.200 0.000 2.030 230 Y HA -0.297 4.253 4.550 -0.000 0.000 0.272 230 Y C 2.186 178.043 175.900 -0.071 0.000 1.185 230 Y CA 2.021 59.779 58.100 -0.570 0.000 1.120 230 Y CB -0.424 37.647 38.460 -0.649 0.000 0.955 230 Y HN 0.150 nan 8.280 nan 0.000 0.495 231 L N -0.118 121.104 121.223 -0.001 0.000 2.376 231 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 231 L C 2.509 179.382 176.870 0.006 0.000 1.133 231 L CA 1.009 55.827 54.840 -0.037 0.000 0.816 231 L CB -0.525 41.514 42.059 -0.033 0.000 0.933 231 L HN 0.167 nan 8.230 nan 0.000 0.449 232 R N -0.072 120.449 120.500 0.035 0.000 2.204 232 R HA -0.214 4.126 4.340 -0.000 0.000 0.253 232 R C 1.831 178.161 176.300 0.050 0.000 1.172 232 R CA 2.013 58.141 56.100 0.047 0.000 0.994 232 R CB -0.181 30.154 30.300 0.058 0.000 0.874 232 R HN 0.162 nan 8.270 nan 0.000 0.462 233 T N -0.810 113.791 114.554 0.079 0.000 3.037 233 T HA 0.001 4.351 4.350 -0.000 0.000 0.251 233 T C -0.592 174.077 174.700 -0.053 0.000 1.079 233 T CA -0.253 61.917 62.100 0.117 0.000 1.067 233 T CB -0.086 68.881 68.868 0.166 0.000 0.948 233 T HN 0.221 nan 8.240 nan 0.000 0.496 234 Y N 3.483 123.439 120.300 -0.573 0.000 2.910 234 Y HA -0.020 4.530 4.550 -0.000 0.000 0.358 234 Y C -1.939 173.539 175.900 -0.703 0.000 1.293 234 Y CA -2.181 55.233 58.100 -1.142 0.000 1.630 234 Y CB 0.649 38.648 38.460 -0.770 0.000 1.178 234 Y HN 0.109 nan 8.280 nan 0.000 0.550 235 P HA 0.083 nan 4.420 nan 0.000 0.226 235 P C -0.139 176.722 177.300 -0.733 0.000 1.153 235 P CA 1.663 64.257 63.100 -0.844 0.000 0.777 235 P CB 0.072 31.212 31.700 -0.933 0.000 0.794 236 G N -0.348 107.611 108.800 -1.401 0.000 2.617 236 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 236 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 236 G C 0.040 174.566 174.900 -0.624 0.000 1.214 236 G CA -0.335 44.243 45.100 -0.870 0.000 0.796 236 G HN -0.059 nan 8.290 nan 0.000 0.654 237 D N 0.266 120.573 120.400 -0.155 0.000 2.228 237 D HA -0.120 4.520 4.640 -0.000 0.000 0.203 237 D C 2.396 178.643 176.300 -0.089 0.000 0.988 237 D CA 1.858 55.877 54.000 0.031 0.000 0.864 237 D CB -0.127 40.736 40.800 0.106 0.000 0.928 237 D HN 1.002 nan 8.370 nan 0.000 0.469 238 A N -0.938 121.729 122.820 -0.254 0.000 2.302 238 A HA 0.151 4.471 4.320 -0.000 0.000 0.219 238 A C 0.887 177.917 177.584 -0.922 0.000 1.243 238 A CA 0.042 51.762 52.037 -0.528 0.000 0.856 238 A CB -0.324 18.292 19.000 -0.640 0.000 0.893 238 A HN 0.106 nan 8.150 nan 0.000 0.491 239 F N -2.075 117.809 119.950 -0.109 0.000 2.876 239 F HA 0.257 4.784 4.527 -0.000 0.000 0.344 239 F C 0.128 175.984 175.800 0.093 0.000 1.029 239 F CA -0.152 57.816 58.000 -0.053 0.000 1.154 239 F CB 0.859 39.795 39.000 -0.107 0.000 1.040 239 F HN -0.101 nan 8.300 nan 0.000 0.576 240 V N 0.964 120.983 119.914 0.174 0.000 2.540 240 V HA 0.302 4.422 4.120 -0.000 0.000 0.302 240 V C -0.167 176.118 176.094 0.318 0.000 1.035 240 V CA -0.613 61.871 62.300 0.307 0.000 0.873 240 V CB 2.021 34.010 31.823 0.277 0.000 0.992 240 V HN 0.018 nan 8.190 nan 0.000 0.428 241 D N 1.960 122.588 120.400 0.380 0.000 2.431 241 D HA 0.125 4.765 4.640 -0.000 0.000 0.235 241 D C 0.217 176.702 176.300 0.308 0.000 0.980 241 D CA 1.110 55.299 54.000 0.315 0.000 0.912 241 D CB 1.177 42.170 40.800 0.322 0.000 1.056 241 D HN 0.338 nan 8.370 nan 0.000 0.494 242 V N 2.508 122.637 119.914 0.357 0.000 2.409 242 V HA 0.311 4.431 4.120 -0.000 0.000 0.291 242 V C -0.075 176.243 176.094 0.374 0.000 1.020 242 V CA -0.631 61.868 62.300 0.331 0.000 0.848 242 V CB 2.214 34.239 31.823 0.336 0.000 0.990 242 V HN -0.009 nan 8.190 nan 0.000 0.430 243 L N 4.961 126.380 121.223 0.327 0.000 2.257 243 L HA 0.681 5.021 4.340 -0.000 0.000 0.290 243 L C 0.894 177.909 176.870 0.242 0.000 1.044 243 L CA 0.016 55.089 54.840 0.389 0.000 0.810 243 L CB 1.044 43.326 42.059 0.371 0.000 1.193 243 L HN 0.782 nan 8.230 nan 0.000 0.425 244 G N 3.898 112.818 108.800 0.200 0.000 2.613 244 G HA2 0.689 4.649 3.960 -0.000 0.000 0.303 244 G HA3 0.689 4.649 3.960 -0.000 0.000 0.303 244 G C -1.339 173.639 174.900 0.130 0.000 1.312 244 G CA -0.418 44.752 45.100 0.118 0.000 1.036 244 G HN 0.333 nan 8.290 nan 0.000 0.513 245 L N 0.375 121.688 121.223 0.150 0.000 2.565 245 L HA 0.478 4.818 4.340 -0.000 0.000 0.261 245 L C -1.994 175.062 176.870 0.311 0.000 0.932 245 L CA -0.623 54.332 54.840 0.191 0.000 0.878 245 L CB 2.016 44.067 42.059 -0.014 0.000 1.333 245 L HN 0.452 nan 8.230 nan 0.000 0.409 246 D N 2.756 123.367 120.400 0.350 0.000 2.425 246 D HA 0.711 5.351 4.640 -0.000 0.000 0.240 246 D C -0.815 175.736 176.300 0.417 0.000 1.080 246 D CA 0.228 54.479 54.000 0.419 0.000 0.836 246 D CB 2.025 43.069 40.800 0.406 0.000 1.125 246 D HN 0.424 nan 8.370 nan 0.000 0.525 247 T N 2.058 116.910 114.554 0.497 0.000 3.109 247 T HA 0.325 4.674 4.350 -0.000 0.000 0.311 247 T C -1.206 173.703 174.700 0.348 0.000 1.011 247 T CA -0.531 61.846 62.100 0.461 0.000 1.026 247 T CB 0.413 69.577 68.868 0.493 0.000 1.047 247 T HN 0.070 nan 8.240 nan 0.000 0.448 248 Y N 1.707 122.140 120.300 0.221 0.000 2.429 248 Y HA 0.682 5.232 4.550 -0.000 0.000 0.342 248 Y C 0.228 176.099 175.900 -0.048 0.000 1.004 248 Y CA -1.044 57.112 58.100 0.094 0.000 1.075 248 Y CB 1.802 40.241 38.460 -0.035 0.000 1.214 248 Y HN 0.686 nan 8.280 nan 0.000 0.455 249 D N -0.494 119.872 120.400 -0.057 0.000 2.570 249 D HA 0.592 5.232 4.640 -0.000 0.000 0.244 249 D C -0.975 175.129 176.300 -0.326 0.000 1.178 249 D CA -0.669 53.125 54.000 -0.343 0.000 0.881 249 D CB 1.740 41.780 40.800 -1.267 0.000 1.453 249 D HN 0.355 nan 8.370 nan 0.000 0.447 250 S N -0.108 115.438 115.700 -0.257 0.000 2.828 250 S HA 0.232 4.702 4.470 -0.000 0.000 0.240 250 S C 0.386 174.921 174.600 -0.108 0.000 0.912 250 S CA 0.198 58.239 58.200 -0.264 0.000 1.100 250 S CB -0.278 62.765 63.200 -0.262 0.000 1.271 250 S HN 0.591 nan 8.310 nan 0.000 0.476 251 T N -3.747 110.801 114.554 -0.009 0.000 3.029 251 T HA 0.452 4.802 4.350 -0.000 0.000 0.256 251 T C 1.710 176.501 174.700 0.151 0.000 0.914 251 T CA 0.812 62.943 62.100 0.052 0.000 0.880 251 T CB -0.268 68.622 68.868 0.036 0.000 1.246 251 T HN 1.432 nan 8.240 nan 0.000 0.523 252 G N 2.402 111.357 108.800 0.257 0.000 2.200 252 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 252 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 252 G C 0.399 175.425 174.900 0.211 0.000 0.993 252 G CA 0.961 46.211 45.100 0.249 0.000 0.701 252 G HN 1.594 nan 8.290 nan 0.000 0.524 253 S N -0.482 115.351 115.700 0.223 0.000 2.569 253 S HA 0.270 4.740 4.470 -0.000 0.000 0.274 253 S C 1.204 175.897 174.600 0.156 0.000 1.353 253 S CA 0.529 58.828 58.200 0.164 0.000 1.023 253 S CB 1.039 64.330 63.200 0.152 0.000 0.876 253 S HN 0.192 nan 8.310 nan 0.000 0.540 254 D N 1.851 122.298 120.400 0.078 0.000 2.144 254 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 254 D C 2.288 178.598 176.300 0.016 0.000 0.978 254 D CA 1.560 55.575 54.000 0.026 0.000 0.833 254 D CB -0.903 39.902 40.800 0.008 0.000 0.961 254 D HN 0.713 nan 8.370 nan 0.000 0.470 255 A N 1.356 124.208 122.820 0.052 0.000 1.873 255 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 255 A C 2.099 179.721 177.584 0.064 0.000 1.193 255 A CA 1.473 53.540 52.037 0.049 0.000 0.629 255 A CB -1.139 17.903 19.000 0.070 0.000 0.826 255 A HN 0.268 nan 8.150 nan 0.000 0.447 256 F N 0.721 120.683 119.950 0.020 0.000 2.069 256 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 256 F C 1.889 177.698 175.800 0.015 0.000 1.113 256 F CA 1.922 59.943 58.000 0.035 0.000 1.214 256 F CB -0.744 38.299 39.000 0.072 0.000 0.978 256 F HN 0.146 nan 8.300 nan 0.000 0.474 257 L N 0.268 121.159 121.223 -0.552 0.000 2.042 257 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 257 L C 2.862 179.487 176.870 -0.408 0.000 1.076 257 L CA 1.340 55.792 54.840 -0.647 0.000 0.749 257 L CB -1.300 40.586 42.059 -0.289 0.000 0.893 257 L HN 0.346 nan 8.230 nan 0.000 0.432 258 A N 0.233 122.914 122.820 -0.232 0.000 1.877 258 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 258 A C 2.414 179.898 177.584 -0.166 0.000 1.186 258 A CA 1.859 53.802 52.037 -0.157 0.000 0.620 258 A CB -1.323 17.624 19.000 -0.088 0.000 0.822 258 A HN 0.450 nan 8.150 nan 0.000 0.443 259 G N -0.427 108.276 108.800 -0.162 0.000 2.418 259 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 259 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 259 G C 1.507 176.301 174.900 -0.177 0.000 1.158 259 G CA 1.164 46.194 45.100 -0.118 0.000 0.771 259 G HN 0.475 nan 8.290 nan 0.000 0.545 260 L N 0.743 121.760 121.223 -0.343 0.000 2.046 260 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 260 L C 2.874 179.575 176.870 -0.281 0.000 1.077 260 L CA 1.338 55.968 54.840 -0.349 0.000 0.747 260 L CB -0.395 41.313 42.059 -0.586 0.000 0.896 260 L HN 0.070 nan 8.230 nan 0.000 0.432 261 V N -0.107 119.652 119.914 -0.259 0.000 2.490 261 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 261 V C 2.702 178.702 176.094 -0.158 0.000 1.061 261 V CA 1.449 63.634 62.300 -0.191 0.000 1.064 261 V CB -1.100 30.626 31.823 -0.162 0.000 0.670 261 V HN 0.612 nan 8.190 nan 0.000 0.461 262 A N -0.113 122.622 122.820 -0.141 0.000 1.873 262 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 262 A C 1.987 179.501 177.584 -0.116 0.000 1.186 262 A CA 1.989 53.963 52.037 -0.106 0.000 0.616 262 A CB -0.597 18.359 19.000 -0.073 0.000 0.823 262 A HN 0.508 nan 8.150 nan 0.000 0.442 263 D N -0.051 120.277 120.400 -0.120 0.000 2.117 263 D HA -0.087 4.553 4.640 -0.000 0.000 0.197 263 D C 1.921 178.089 176.300 -0.220 0.000 0.987 263 D CA 0.892 54.816 54.000 -0.127 0.000 0.829 263 D CB -0.241 40.524 40.800 -0.058 0.000 0.961 263 D HN 0.400 nan 8.370 nan 0.000 0.460 264 L N 0.550 121.624 121.223 -0.248 0.000 2.046 264 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 264 L C 2.441 179.203 176.870 -0.180 0.000 1.077 264 L CA 1.174 55.861 54.840 -0.256 0.000 0.747 264 L CB -0.365 41.533 42.059 -0.267 0.000 0.896 264 L HN 0.126 nan 8.230 nan 0.000 0.432 265 R N -0.138 120.272 120.500 -0.151 0.000 2.189 265 R HA -0.135 4.205 4.340 -0.000 0.000 0.218 265 R C 2.119 178.341 176.300 -0.129 0.000 1.074 265 R CA 0.938 56.968 56.100 -0.118 0.000 0.991 265 R CB -0.404 29.838 30.300 -0.097 0.000 0.883 265 R HN 0.341 nan 8.270 nan 0.000 0.457 266 M N 2.424 121.922 119.600 -0.169 0.000 2.101 266 M HA -0.095 4.385 4.480 -0.000 0.000 0.259 266 M C 2.423 178.578 176.300 -0.242 0.000 1.083 266 M CA 1.946 57.124 55.300 -0.203 0.000 1.114 266 M CB -0.193 32.250 32.600 -0.262 0.000 1.281 266 M HN 0.275 nan 8.290 nan 0.000 0.422 267 I N -0.283 120.078 120.570 -0.348 0.000 2.229 267 I HA -0.250 3.920 4.170 -0.000 0.000 0.250 267 I C 2.318 178.355 176.117 -0.133 0.000 1.096 267 I CA 1.842 62.962 61.300 -0.301 0.000 1.358 267 I CB -1.271 36.559 38.000 -0.283 0.000 1.047 267 I HN 0.397 nan 8.210 nan 0.000 0.422 268 A N 1.230 123.979 122.820 -0.117 0.000 1.902 268 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 268 A C 2.215 179.770 177.584 -0.050 0.000 1.181 268 A CA 1.969 53.968 52.037 -0.064 0.000 0.623 268 A CB -0.682 18.282 19.000 -0.060 0.000 0.818 268 A HN 0.656 nan 8.150 nan 0.000 0.443 269 E N -0.388 119.771 120.200 -0.068 0.000 2.015 269 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 269 E C 1.860 178.434 176.600 -0.043 0.000 0.991 269 E CA 1.290 57.660 56.400 -0.051 0.000 0.802 269 E CB -0.354 29.310 29.700 -0.060 0.000 0.759 269 E HN 0.614 nan 8.360 nan 0.000 0.447 270 I N 1.605 122.138 120.570 -0.061 0.000 2.185 270 I HA -0.355 3.815 4.170 -0.000 0.000 0.246 270 I C 2.473 178.581 176.117 -0.015 0.000 1.088 270 I CA 1.452 62.723 61.300 -0.048 0.000 1.347 270 I CB -0.379 37.586 38.000 -0.058 0.000 1.041 270 I HN 0.110 nan 8.210 nan 0.000 0.415 271 A N 0.237 123.058 122.820 0.002 0.000 1.865 271 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 271 A C 2.070 179.673 177.584 0.032 0.000 1.191 271 A CA 2.240 54.300 52.037 0.038 0.000 0.623 271 A CB -0.792 18.234 19.000 0.044 0.000 0.826 271 A HN 0.417 nan 8.150 nan 0.000 0.444 272 D N -0.228 120.181 120.400 0.014 0.000 2.104 272 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 272 D C 1.933 178.242 176.300 0.015 0.000 0.994 272 D CA 1.679 55.687 54.000 0.014 0.000 0.830 272 D CB -0.467 40.334 40.800 0.002 0.000 0.959 272 D HN 0.684 nan 8.370 nan 0.000 0.452 273 E N 0.806 121.010 120.200 0.007 0.000 2.077 273 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 273 E C 1.873 178.485 176.600 0.021 0.000 0.989 273 E CA 0.838 57.243 56.400 0.008 0.000 0.800 273 E CB -0.077 29.622 29.700 -0.003 0.000 0.746 273 E HN 0.234 nan 8.360 nan 0.000 0.452 274 K N -0.300 120.118 120.400 0.029 0.000 2.459 274 K HA 0.042 4.362 4.320 -0.000 0.000 0.193 274 K C 0.807 177.445 176.600 0.064 0.000 1.030 274 K CA 0.434 56.752 56.287 0.053 0.000 1.026 274 K CB 0.403 32.944 32.500 0.069 0.000 0.809 274 K HN 0.248 nan 8.250 nan 0.000 0.504 275 G N 2.202 111.034 108.800 0.054 0.000 2.246 275 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 275 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 275 G C -0.342 174.605 174.900 0.079 0.000 1.055 275 G CA 0.539 45.674 45.100 0.058 0.000 0.851 275 G HN 0.275 nan 8.290 nan 0.000 0.500 276 K N -1.674 118.781 120.400 0.091 0.000 2.208 276 K HA 0.772 5.092 4.320 -0.000 0.000 0.241 276 K C -0.172 176.497 176.600 0.115 0.000 1.087 276 K CA -1.023 55.337 56.287 0.122 0.000 0.883 276 K CB 1.849 34.446 32.500 0.162 0.000 1.360 276 K HN 0.043 nan 8.250 nan 0.000 0.496 277 V N 1.237 121.238 119.914 0.145 0.000 2.630 277 V HA 0.379 4.499 4.120 -0.000 0.000 0.305 277 V C -0.398 175.776 176.094 0.134 0.000 1.046 277 V CA -0.544 61.837 62.300 0.135 0.000 0.934 277 V CB 1.565 33.489 31.823 0.168 0.000 1.003 277 V HN 0.917 nan 8.190 nan 0.000 0.451 278 S N 2.424 118.175 115.700 0.084 0.000 2.526 278 S HA 0.963 5.432 4.470 -0.000 0.000 0.293 278 S C -0.673 173.912 174.600 -0.024 0.000 1.092 278 S CA -0.223 58.006 58.200 0.048 0.000 0.980 278 S CB 2.116 65.324 63.200 0.014 0.000 1.048 278 S HN 1.541 nan 8.310 nan 0.000 0.483 279 A N 1.578 124.341 122.820 -0.096 0.000 2.606 279 A HA 0.721 5.041 4.320 -0.000 0.000 0.293 279 A C -1.448 176.052 177.584 -0.140 0.000 1.082 279 A CA -0.669 51.201 52.037 -0.277 0.000 0.685 279 A CB 0.993 19.441 19.000 -0.920 0.000 1.284 279 A HN 0.958 nan 8.150 nan 0.000 0.408 280 F N 3.009 122.805 119.950 -0.256 0.000 2.567 280 F HA 0.262 4.789 4.527 -0.000 0.000 0.352 280 F C 1.917 177.682 175.800 -0.059 0.000 1.229 280 F CA -0.126 57.820 58.000 -0.091 0.000 1.228 280 F CB -0.162 38.793 39.000 -0.075 0.000 1.568 280 F HN 0.665 nan 8.300 nan 0.000 0.634 281 T N -0.350 114.342 114.554 0.230 0.000 2.849 281 T HA -0.106 4.243 4.350 -0.000 0.000 0.270 281 T C 0.493 175.388 174.700 0.325 0.000 1.066 281 T CA 1.085 63.318 62.100 0.223 0.000 1.130 281 T CB -0.029 68.966 68.868 0.210 0.000 0.864 281 T HN 0.517 nan 8.240 nan 0.000 0.481 282 E N -0.028 120.394 120.200 0.370 0.000 2.321 282 E HA 0.548 4.898 4.350 -0.000 0.000 0.281 282 E C -1.578 175.076 176.600 0.090 0.000 0.910 282 E CA -0.972 55.582 56.400 0.256 0.000 0.770 282 E CB 2.312 32.179 29.700 0.279 0.000 1.225 282 E HN 0.394 nan 8.360 nan 0.000 0.417 283 F N 0.305 119.948 119.950 -0.512 0.000 2.741 283 F HA 0.868 5.395 4.527 -0.000 0.000 0.313 283 F C -0.551 174.849 175.800 -0.667 0.000 1.153 283 F CA -0.220 57.334 58.000 -0.745 0.000 0.931 283 F CB 1.466 39.788 39.000 -1.132 0.000 1.335 283 F HN 0.605 nan 8.300 nan 0.000 0.460 284 G N 0.418 108.842 108.800 -0.627 0.000 2.333 284 G HA2 0.406 4.366 3.960 -0.000 0.000 0.330 284 G HA3 0.406 4.366 3.960 -0.000 0.000 0.330 284 G C -1.981 172.562 174.900 -0.594 0.000 1.465 284 G CA -0.510 44.235 45.100 -0.591 0.000 0.996 284 G HN 1.121 nan 8.290 nan 0.000 0.655 285 V N 1.161 120.414 119.914 -1.102 0.000 2.599 285 V HA 0.317 4.437 4.120 -0.000 0.000 0.300 285 V C 1.240 177.127 176.094 -0.345 0.000 1.034 285 V CA 0.260 61.892 62.300 -1.114 0.000 1.115 285 V CB 1.155 32.266 31.823 -1.187 0.000 0.934 285 V HN 0.888 nan 8.190 nan 0.000 0.485 286 S N 3.756 119.295 115.700 -0.268 0.000 2.552 286 S HA 0.347 4.817 4.470 -0.000 0.000 0.289 286 S C 1.381 175.840 174.600 -0.235 0.000 1.304 286 S CA 0.370 58.485 58.200 -0.142 0.000 1.063 286 S CB 0.566 63.668 63.200 -0.163 0.000 0.848 286 S HN 1.623 nan 8.310 nan 0.000 0.499 287 G N 1.967 110.652 108.800 -0.191 0.000 2.168 287 G HA2 0.041 4.001 3.960 -0.000 0.000 0.263 287 G HA3 0.041 4.001 3.960 -0.000 0.000 0.263 287 G C 0.799 175.381 174.900 -0.529 0.000 0.977 287 G CA 0.290 45.242 45.100 -0.247 0.000 0.659 287 G HN 1.909 nan 8.290 nan 0.000 0.533 288 G N -2.485 105.773 108.800 -0.903 0.000 2.698 288 G HA2 0.147 4.107 3.960 -0.000 0.000 0.225 288 G HA3 0.147 4.107 3.960 -0.000 0.000 0.225 288 G C 0.394 174.788 174.900 -0.843 0.000 1.345 288 G CA 0.555 44.742 45.100 -1.521 0.000 0.871 288 G HN 1.664 nan 8.290 nan 0.000 0.540 289 V N 1.428 120.854 119.914 -0.812 0.000 3.176 289 V HA 0.639 4.759 4.120 -0.000 0.000 0.332 289 V C 1.278 177.048 176.094 -0.540 0.000 1.414 289 V CA 1.685 63.649 62.300 -0.560 0.000 1.133 289 V CB -0.419 31.168 31.823 -0.394 0.000 1.088 289 V HN 1.800 nan 8.190 nan 0.000 0.473 290 G N -1.054 107.361 108.800 -0.641 0.000 2.887 290 G HA2 0.350 4.310 3.960 -0.000 0.000 0.277 290 G HA3 0.350 4.310 3.960 -0.000 0.000 0.277 290 G C 0.845 175.648 174.900 -0.162 0.000 1.346 290 G CA 0.640 45.517 45.100 -0.372 0.000 1.058 290 G HN 0.105 nan 8.290 nan 0.000 0.535 291 T N 0.966 115.502 114.554 -0.029 0.000 2.731 291 T HA -0.243 4.107 4.350 -0.000 0.000 0.259 291 T C 1.630 176.290 174.700 -0.068 0.000 1.054 291 T CA 2.146 64.227 62.100 -0.031 0.000 1.158 291 T CB -0.183 68.688 68.868 0.004 0.000 0.847 291 T HN 0.489 nan 8.240 nan 0.000 0.470 292 N N 0.544 119.190 118.700 -0.090 0.000 2.203 292 N HA 0.232 4.972 4.740 -0.000 0.000 0.207 292 N C 0.840 176.256 175.510 -0.156 0.000 1.130 292 N CA 0.176 53.166 53.050 -0.100 0.000 0.861 292 N CB 0.634 39.079 38.487 -0.070 0.000 1.005 292 N HN 0.475 nan 8.380 nan 0.000 0.507 293 G N -0.051 108.617 108.800 -0.219 0.000 2.849 293 G HA2 0.564 4.524 3.960 -0.000 0.000 0.174 293 G HA3 0.564 4.524 3.960 -0.000 0.000 0.174 293 G C -0.536 174.216 174.900 -0.246 0.000 1.370 293 G CA -0.164 44.760 45.100 -0.293 0.000 1.040 293 G HN 0.125 nan 8.290 nan 0.000 0.582 294 S N -1.699 113.826 115.700 -0.292 0.000 2.588 294 S HA 0.567 5.037 4.470 -0.000 0.000 0.275 294 S C -0.753 173.700 174.600 -0.246 0.000 1.130 294 S CA -0.534 57.525 58.200 -0.235 0.000 0.855 294 S CB 2.047 65.110 63.200 -0.230 0.000 1.116 294 S HN 0.360 nan 8.310 nan 0.000 0.472 295 S N 2.405 118.008 115.700 -0.161 0.000 2.257 295 S HA 0.354 4.824 4.470 -0.000 0.000 0.191 295 S C -2.591 171.972 174.600 -0.062 0.000 1.386 295 S CA -0.918 57.213 58.200 -0.114 0.000 1.233 295 S CB -0.264 62.900 63.200 -0.060 0.000 1.138 295 S HN 0.417 nan 8.310 nan 0.000 0.483 296 P HA 0.152 nan 4.420 nan 0.000 0.263 296 P C -0.236 177.130 177.300 0.109 0.000 1.195 296 P CA -0.048 63.072 63.100 0.035 0.000 0.762 296 P CB 0.330 32.088 31.700 0.097 0.000 0.799 297 A N 4.139 127.017 122.820 0.096 0.000 2.580 297 A HA -0.096 4.224 4.320 -0.000 0.000 0.244 297 A C 0.820 178.488 177.584 0.140 0.000 1.045 297 A CA 0.237 52.335 52.037 0.102 0.000 0.761 297 A CB -0.785 18.259 19.000 0.074 0.000 0.962 297 A HN 0.740 nan 8.150 nan 0.000 0.512 298 Q N 0.577 120.470 119.800 0.156 0.000 2.407 298 Q HA -0.302 4.038 4.340 -0.000 0.000 0.277 298 Q C 0.518 176.644 176.000 0.210 0.000 1.161 298 Q CA 1.228 57.142 55.803 0.184 0.000 0.924 298 Q CB -1.886 26.928 28.738 0.126 0.000 1.318 298 Q HN 0.967 nan 8.270 nan 0.000 0.513 299 W N 0.067 121.371 121.300 0.007 0.000 2.302 299 W HA -0.273 4.387 4.660 -0.000 0.000 0.320 299 W C 1.412 177.919 176.519 -0.020 0.000 1.241 299 W CA 2.235 59.537 57.345 -0.072 0.000 1.264 299 W CB -0.390 28.908 29.460 -0.271 0.000 1.154 299 W HN 0.378 nan 8.180 nan 0.000 0.483 300 F N 0.486 120.717 119.950 0.468 0.000 2.069 300 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 300 F C 2.877 178.775 175.800 0.164 0.000 1.113 300 F CA 2.597 60.783 58.000 0.310 0.000 1.214 300 F CB -1.572 37.602 39.000 0.290 0.000 0.978 300 F HN -0.047 nan 8.300 nan 0.000 0.474 301 T N -2.136 112.632 114.554 0.357 0.000 2.867 301 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 301 T C 1.877 176.638 174.700 0.101 0.000 1.057 301 T CA 1.131 63.372 62.100 0.235 0.000 1.136 301 T CB -0.427 68.547 68.868 0.177 0.000 0.874 301 T HN 0.208 nan 8.240 nan 0.000 0.466 302 K N 0.653 121.069 120.400 0.027 0.000 2.103 302 K HA -0.012 4.308 4.320 -0.000 0.000 0.207 302 K C 2.298 178.835 176.600 -0.105 0.000 1.048 302 K CA 1.288 57.546 56.287 -0.049 0.000 0.930 302 K CB -0.406 32.046 32.500 -0.080 0.000 0.716 302 K HN 0.239 nan 8.250 nan 0.000 0.444 303 V N 1.630 121.433 119.914 -0.185 0.000 2.453 303 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 303 V C 2.149 178.235 176.094 -0.013 0.000 1.048 303 V CA 1.244 63.435 62.300 -0.182 0.000 1.049 303 V CB -0.300 31.302 31.823 -0.369 0.000 0.672 303 V HN 0.332 nan 8.190 nan 0.000 0.457 304 L N 0.114 121.398 121.223 0.101 0.000 2.027 304 L HA -0.145 4.194 4.340 -0.000 0.000 0.206 304 L C 2.663 179.556 176.870 0.038 0.000 1.074 304 L CA 1.816 56.747 54.840 0.152 0.000 0.745 304 L CB -0.581 41.621 42.059 0.239 0.000 0.898 304 L HN 0.373 nan 8.230 nan 0.000 0.433 305 A N -0.125 122.702 122.820 0.012 0.000 1.917 305 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 305 A C 2.416 179.961 177.584 -0.066 0.000 1.182 305 A CA 1.963 53.978 52.037 -0.035 0.000 0.633 305 A CB -0.811 18.174 19.000 -0.024 0.000 0.819 305 A HN 0.562 nan 8.150 nan 0.000 0.448 306 A N -0.633 122.146 122.820 -0.068 0.000 1.902 306 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 306 A C 1.991 179.520 177.584 -0.091 0.000 1.181 306 A CA 1.722 53.702 52.037 -0.095 0.000 0.623 306 A CB -0.514 18.406 19.000 -0.133 0.000 0.818 306 A HN 0.404 nan 8.150 nan 0.000 0.443 307 I N 0.191 120.728 120.570 -0.056 0.000 2.252 307 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 307 I C 2.318 178.374 176.117 -0.102 0.000 1.102 307 I CA 1.534 62.814 61.300 -0.033 0.000 1.385 307 I CB -0.310 37.739 38.000 0.082 0.000 1.064 307 I HN 0.259 nan 8.210 nan 0.000 0.414 308 K N 0.363 120.652 120.400 -0.184 0.000 2.097 308 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 308 K C 2.147 178.602 176.600 -0.243 0.000 1.050 308 K CA 1.325 57.391 56.287 -0.369 0.000 0.938 308 K CB -0.411 31.817 32.500 -0.454 0.000 0.718 308 K HN 0.284 nan 8.250 nan 0.000 0.442 309 A N 1.760 124.482 122.820 -0.163 0.000 2.084 309 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 309 A C 0.907 178.424 177.584 -0.112 0.000 1.161 309 A CA 1.214 53.177 52.037 -0.124 0.000 0.653 309 A CB -0.249 18.693 19.000 -0.098 0.000 0.802 309 A HN 0.248 nan 8.150 nan 0.000 0.457 310 D N -1.469 118.862 120.400 -0.114 0.000 2.256 310 D HA 0.271 4.911 4.640 -0.000 0.000 0.240 310 D C -1.847 174.398 176.300 -0.091 0.000 1.062 310 D CA -1.918 52.026 54.000 -0.094 0.000 0.832 310 D CB 1.911 42.659 40.800 -0.088 0.000 1.135 310 D HN 0.014 nan 8.370 nan 0.000 0.484 311 P HA -0.096 nan 4.420 nan 0.000 0.219 311 P C 1.365 178.640 177.300 -0.041 0.000 1.150 311 P CA 0.522 63.586 63.100 -0.061 0.000 0.814 311 P CB 0.735 32.405 31.700 -0.051 0.000 0.787 312 V N 0.778 120.665 119.914 -0.045 0.000 2.426 312 V HA -0.002 4.118 4.120 -0.000 0.000 0.242 312 V C 2.879 178.948 176.094 -0.042 0.000 1.036 312 V CA 1.651 63.928 62.300 -0.039 0.000 1.044 312 V CB -1.686 30.108 31.823 -0.048 0.000 0.688 312 V HN 0.042 nan 8.190 nan 0.000 0.462 313 A N 1.104 123.889 122.820 -0.058 0.000 2.076 313 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 313 A C 2.347 179.917 177.584 -0.023 0.000 1.160 313 A CA 2.049 54.046 52.037 -0.067 0.000 0.653 313 A CB -0.579 18.368 19.000 -0.090 0.000 0.801 313 A HN 0.688 nan 8.150 nan 0.000 0.455 314 S N -1.084 114.619 115.700 0.005 0.000 2.593 314 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 314 S C 1.129 175.821 174.600 0.152 0.000 0.966 314 S CA -0.109 58.153 58.200 0.104 0.000 0.914 314 S CB -0.209 63.010 63.200 0.032 0.000 0.776 314 S HN 0.538 nan 8.310 nan 0.000 0.523 315 R N 2.335 122.874 120.500 0.065 0.000 3.907 315 R HA 0.282 4.622 4.340 -0.000 0.000 0.241 315 R C -0.653 175.668 176.300 0.035 0.000 1.784 315 R CA -0.077 56.054 56.100 0.052 0.000 1.509 315 R CB -0.316 29.996 30.300 0.020 0.000 1.275 315 R HN 0.381 nan 8.270 nan 0.000 0.642 316 N N -0.248 118.482 118.700 0.050 0.000 2.392 316 N HA 0.150 4.890 4.740 -0.000 0.000 0.283 316 N C 0.397 175.924 175.510 0.028 0.000 1.003 316 N CA -0.115 52.948 53.050 0.020 0.000 0.892 316 N CB 1.997 40.490 38.487 0.010 0.000 1.193 316 N HN 0.081 nan 8.380 nan 0.000 0.487 317 A N 2.525 125.364 122.820 0.032 0.000 1.908 317 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 317 A C 0.166 177.887 177.584 0.228 0.000 1.181 317 A CA 1.603 53.711 52.037 0.119 0.000 0.627 317 A CB -0.460 18.684 19.000 0.239 0.000 0.818 317 A HN 0.786 nan 8.150 nan 0.000 0.445 318 Y N -3.846 116.503 120.300 0.081 0.000 2.670 318 Y HA 0.662 5.212 4.550 -0.000 0.000 0.334 318 Y C -0.945 175.031 175.900 0.127 0.000 1.185 318 Y CA -1.953 56.196 58.100 0.080 0.000 1.053 318 Y CB 0.842 39.348 38.460 0.075 0.000 1.298 318 Y HN 0.246 nan 8.280 nan 0.000 0.459 319 M N 0.973 120.726 119.600 0.255 0.000 2.206 319 M HA 0.547 5.027 4.480 -0.000 0.000 0.272 319 M C -1.940 174.571 176.300 0.351 0.000 1.012 319 M CA -0.590 54.784 55.300 0.122 0.000 0.986 319 M CB 2.630 35.043 32.600 -0.311 0.000 1.740 319 M HN 0.828 nan 8.290 nan 0.000 0.472 320 E N 2.557 123.003 120.200 0.410 0.000 2.145 320 E HA 0.444 4.794 4.350 -0.000 0.000 0.270 320 E C -1.242 175.464 176.600 0.177 0.000 0.906 320 E CA -0.261 56.278 56.400 0.231 0.000 0.761 320 E CB 2.167 31.962 29.700 0.159 0.000 1.116 320 E HN 0.804 nan 8.360 nan 0.000 0.408 321 T N 3.241 117.740 114.554 -0.091 0.000 2.862 321 T HA 0.188 4.538 4.350 -0.000 0.000 0.276 321 T C -0.399 174.298 174.700 -0.004 0.000 0.974 321 T CA -0.512 61.373 62.100 -0.359 0.000 0.966 321 T CB 0.485 69.077 68.868 -0.460 0.000 1.072 321 T HN 0.501 nan 8.240 nan 0.000 0.538 322 W N 0.773 121.836 121.300 -0.395 0.000 2.030 322 W HA 0.570 5.230 4.660 -0.000 0.000 0.412 322 W C 0.558 176.917 176.519 -0.267 0.000 1.715 322 W CA -1.015 56.015 57.345 -0.524 0.000 1.895 322 W CB 0.621 29.362 29.460 -1.198 0.000 1.381 322 W HN 0.776 nan 8.180 nan 0.000 0.717 323 A N 2.179 124.468 122.820 -0.887 0.000 2.507 323 A HA -0.047 4.273 4.320 -0.000 0.000 0.235 323 A C -0.224 177.108 177.584 -0.420 0.000 1.070 323 A CA 0.154 51.650 52.037 -0.902 0.000 0.768 323 A CB -0.068 17.826 19.000 -1.843 0.000 1.011 323 A HN 0.552 nan 8.150 nan 0.000 0.502 324 N N 1.364 119.894 118.700 -0.283 0.000 3.228 324 N HA 0.341 5.081 4.740 -0.000 0.000 0.289 324 N C -0.046 175.403 175.510 -0.101 0.000 1.419 324 N CA -0.161 52.889 53.050 0.001 0.000 1.088 324 N CB -0.135 38.437 38.487 0.141 0.000 1.357 324 N HN 0.544 nan 8.380 nan 0.000 0.504 325 F N 0.460 120.362 119.950 -0.080 0.000 2.075 325 F HA -0.065 4.462 4.527 -0.000 0.000 0.297 325 F C 1.013 176.752 175.800 -0.102 0.000 1.113 325 F CA 0.744 58.550 58.000 -0.323 0.000 1.218 325 F CB -0.194 38.585 39.000 -0.367 0.000 0.984 325 F HN 0.299 nan 8.300 nan 0.000 0.472 326 D N -3.584 116.925 120.400 0.182 0.000 2.838 326 D HA 0.492 5.132 4.640 -0.000 0.000 0.334 326 D C 0.673 177.021 176.300 0.081 0.000 1.315 326 D CA -0.142 53.914 54.000 0.093 0.000 0.917 326 D CB 0.365 41.221 40.800 0.092 0.000 1.435 326 D HN -0.061 nan 8.370 nan 0.000 0.517 327 A N -0.224 122.618 122.820 0.037 0.000 1.877 327 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 327 A C 2.053 179.752 177.584 0.192 0.000 1.186 327 A CA 2.251 54.327 52.037 0.065 0.000 0.620 327 A CB -1.683 17.330 19.000 0.021 0.000 0.822 327 A HN 0.617 nan 8.150 nan 0.000 0.443 328 G N -1.337 107.526 108.800 0.105 0.000 2.421 328 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.216 328 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.216 328 G C 0.930 175.842 174.900 0.021 0.000 1.171 328 G CA 0.970 46.099 45.100 0.048 0.000 0.775 328 G HN 0.594 nan 8.290 nan 0.000 0.543 329 Q N 0.540 120.400 119.800 0.100 0.000 2.347 329 Q HA 0.373 4.713 4.340 -0.000 0.000 0.265 329 Q C -1.450 174.657 176.000 0.178 0.000 1.024 329 Q CA -0.827 55.010 55.803 0.056 0.000 0.731 329 Q CB 0.786 29.632 28.738 0.180 0.000 1.245 329 Q HN 0.686 nan 8.270 nan 0.000 0.472 330 H N 2.289 121.257 119.070 -0.169 0.000 3.085 330 H HA 0.225 4.781 4.556 -0.000 0.000 0.356 330 H C -1.336 173.828 175.328 -0.273 0.000 1.178 330 H CA -0.789 55.221 56.048 -0.064 0.000 1.214 330 H CB 0.336 30.071 29.762 -0.045 0.000 1.881 330 H HN 0.481 nan 8.280 nan 0.000 0.538 331 F N 1.100 120.998 119.950 -0.087 0.000 2.721 331 F HA 0.231 4.758 4.527 -0.000 0.000 0.301 331 F C 0.858 176.531 175.800 -0.212 0.000 1.096 331 F CA -0.047 57.863 58.000 -0.149 0.000 1.308 331 F CB 0.898 39.875 39.000 -0.039 0.000 1.086 331 F HN 0.172 nan 8.300 nan 0.000 0.587 332 V N 2.376 122.218 119.914 -0.119 0.000 2.378 332 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 332 V C -2.137 173.807 176.094 -0.250 0.000 1.016 332 V CA -2.427 59.582 62.300 -0.485 0.000 0.840 332 V CB 1.591 32.993 31.823 -0.701 0.000 0.994 332 V HN -0.160 nan 8.190 nan 0.000 0.431 333 P HA 0.095 nan 4.420 nan 0.000 0.266 333 P C -0.740 176.550 177.300 -0.015 0.000 1.186 333 P CA 0.459 63.517 63.100 -0.070 0.000 0.767 333 P CB 0.455 32.131 31.700 -0.040 0.000 0.820 334 V N -0.570 119.377 119.914 0.054 0.000 3.159 334 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 334 V C -2.846 173.266 176.094 0.030 0.000 1.190 334 V CA -3.291 59.018 62.300 0.015 0.000 1.037 334 V CB 1.330 33.122 31.823 -0.051 0.000 1.060 334 V HN 0.215 nan 8.190 nan 0.000 0.437 335 P HA 0.300 nan 4.420 nan 0.000 0.257 335 P C 0.950 178.263 177.300 0.022 0.000 1.162 335 P CA 2.160 65.273 63.100 0.022 0.000 0.762 335 P CB 0.274 31.982 31.700 0.013 0.000 0.753 336 G N 2.497 111.314 108.800 0.029 0.000 2.391 336 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.204 336 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.204 336 G C -0.229 174.693 174.900 0.036 0.000 1.012 336 G CA -0.475 44.642 45.100 0.027 0.000 0.651 336 G HN 0.494 nan 8.290 nan 0.000 0.494 337 D N 1.173 121.604 120.400 0.052 0.000 2.304 337 D HA 0.614 5.254 4.640 -0.000 0.000 0.250 337 D C 1.490 177.818 176.300 0.046 0.000 1.107 337 D CA 0.456 54.486 54.000 0.050 0.000 0.885 337 D CB 1.484 42.328 40.800 0.073 0.000 1.192 337 D HN 0.375 nan 8.370 nan 0.000 0.436 338 A N 2.795 125.634 122.820 0.032 0.000 1.883 338 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 338 A C 2.058 179.691 177.584 0.081 0.000 1.186 338 A CA 1.094 53.157 52.037 0.044 0.000 0.624 338 A CB -0.651 18.365 19.000 0.026 0.000 0.822 338 A HN 0.643 nan 8.150 nan 0.000 0.444 339 L N -0.129 121.155 121.223 0.101 0.000 2.633 339 L HA -0.104 4.236 4.340 -0.000 0.000 0.235 339 L C 2.243 179.256 176.870 0.237 0.000 1.163 339 L CA 0.039 55.000 54.840 0.202 0.000 0.859 339 L CB -0.517 41.702 42.059 0.267 0.000 0.973 339 L HN 0.458 nan 8.230 nan 0.000 0.451 340 L N 0.376 121.692 121.223 0.155 0.000 1.990 340 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 340 L C 2.281 179.252 176.870 0.169 0.000 1.072 340 L CA 2.013 56.944 54.840 0.152 0.000 0.755 340 L CB -0.406 41.711 42.059 0.098 0.000 0.889 340 L HN 0.182 nan 8.230 nan 0.000 0.432 341 E N -0.419 119.858 120.200 0.129 0.000 2.077 341 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 341 E C 1.971 178.645 176.600 0.125 0.000 0.989 341 E CA 1.468 57.928 56.400 0.101 0.000 0.800 341 E CB -0.337 29.409 29.700 0.076 0.000 0.746 341 E HN 0.644 nan 8.360 nan 0.000 0.452 342 D N -0.647 119.866 120.400 0.188 0.000 2.123 342 D HA -0.184 4.456 4.640 -0.000 0.000 0.196 342 D C 1.499 177.949 176.300 0.249 0.000 0.992 342 D CA 0.763 54.907 54.000 0.239 0.000 0.833 342 D CB -0.137 40.863 40.800 0.333 0.000 0.954 342 D HN 0.153 nan 8.370 nan 0.000 0.455 343 F N 0.938 120.938 119.950 0.083 0.000 2.269 343 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 343 F C 2.096 177.832 175.800 -0.108 0.000 1.082 343 F CA 1.250 59.104 58.000 -0.243 0.000 1.360 343 F CB -0.133 38.558 39.000 -0.516 0.000 1.041 343 F HN 0.019 nan 8.300 nan 0.000 0.512 344 Q N -0.188 119.523 119.800 -0.148 0.000 2.137 344 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 344 Q C 2.546 178.423 176.000 -0.204 0.000 0.960 344 Q CA 1.056 56.721 55.803 -0.229 0.000 0.847 344 Q CB -0.401 28.296 28.738 -0.069 0.000 0.915 344 Q HN 0.492 nan 8.270 nan 0.000 0.448 345 A N 0.708 123.483 122.820 -0.076 0.000 1.883 345 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 345 A C 1.946 179.495 177.584 -0.059 0.000 1.186 345 A CA 1.669 53.682 52.037 -0.039 0.000 0.624 345 A CB -1.028 17.996 19.000 0.039 0.000 0.822 345 A HN 0.564 nan 8.150 nan 0.000 0.444 346 Y N 0.680 120.872 120.300 -0.180 0.000 2.165 346 Y HA -0.110 4.439 4.550 -0.000 0.000 0.286 346 Y C 2.529 178.267 175.900 -0.270 0.000 1.155 346 Y CA 1.390 59.386 58.100 -0.174 0.000 1.164 346 Y CB -0.568 37.801 38.460 -0.151 0.000 0.978 346 Y HN 0.294 nan 8.280 nan 0.000 0.513 347 A N 0.712 123.300 122.820 -0.387 0.000 1.930 347 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 347 A C 2.357 179.621 177.584 -0.534 0.000 1.175 347 A CA 1.597 53.309 52.037 -0.542 0.000 0.627 347 A CB -1.429 17.139 19.000 -0.719 0.000 0.815 347 A HN 0.642 nan 8.150 nan 0.000 0.443 348 A N -0.565 122.032 122.820 -0.372 0.000 2.168 348 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 348 A C 1.033 178.499 177.584 -0.197 0.000 1.152 348 A CA 0.592 52.468 52.037 -0.269 0.000 0.716 348 A CB -0.411 18.478 19.000 -0.185 0.000 0.794 348 A HN 0.507 nan 8.150 nan 0.000 0.465 349 D N -0.069 120.209 120.400 -0.203 0.000 2.458 349 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 349 D C -1.661 174.588 176.300 -0.086 0.000 1.146 349 D CA -1.386 52.539 54.000 -0.125 0.000 0.877 349 D CB 1.125 41.846 40.800 -0.132 0.000 1.176 349 D HN 0.017 nan 8.370 nan 0.000 0.461 350 P HA -0.111 nan 4.420 nan 0.000 0.219 350 P C 1.111 178.457 177.300 0.077 0.000 1.146 350 P CA 0.621 63.732 63.100 0.018 0.000 0.808 350 P CB 0.008 31.728 31.700 0.033 0.000 0.779 351 F N 0.487 120.393 119.950 -0.073 0.000 2.407 351 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 351 F C 0.792 176.565 175.800 -0.046 0.000 1.097 351 F CA 0.781 58.748 58.000 -0.055 0.000 1.422 351 F CB -0.768 38.193 39.000 -0.065 0.000 1.067 351 F HN -0.165 nan 8.300 nan 0.000 0.539 352 T N 0.998 115.480 114.554 -0.121 0.000 2.749 352 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 352 T C -0.314 174.445 174.700 0.099 0.000 0.936 352 T CA -0.623 61.401 62.100 -0.126 0.000 1.060 352 T CB 0.856 69.567 68.868 -0.262 0.000 0.904 352 T HN 0.052 nan 8.240 nan 0.000 0.500 353 L N 3.549 124.826 121.223 0.090 0.000 2.307 353 L HA 0.607 4.947 4.340 -0.000 0.000 0.282 353 L C -0.569 176.497 176.870 0.327 0.000 1.051 353 L CA -0.893 54.072 54.840 0.208 0.000 0.804 353 L CB 0.872 42.984 42.059 0.088 0.000 1.197 353 L HN 0.577 nan 8.230 nan 0.000 0.431 354 F N -0.013 120.002 119.950 0.108 0.000 2.598 354 F HA 0.511 5.038 4.527 -0.000 0.000 0.327 354 F C 1.171 177.080 175.800 0.182 0.000 1.057 354 F CA -0.377 57.729 58.000 0.178 0.000 0.957 354 F CB 1.482 40.575 39.000 0.153 0.000 1.278 354 F HN 0.541 nan 8.300 nan 0.000 0.484 355 A N 0.709 123.773 122.820 0.406 0.000 1.916 355 A HA -0.351 3.969 4.320 -0.000 0.000 0.224 355 A C 2.276 180.008 177.584 0.246 0.000 1.366 355 A CA 3.358 55.598 52.037 0.338 0.000 0.692 355 A CB -1.662 17.612 19.000 0.457 0.000 0.841 355 A HN 0.857 nan 8.150 nan 0.000 0.480 356 S N -0.494 115.362 115.700 0.260 0.000 2.447 356 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 356 S C 1.370 176.052 174.600 0.137 0.000 1.006 356 S CA 1.432 59.737 58.200 0.174 0.000 0.957 356 S CB -0.433 62.863 63.200 0.160 0.000 0.773 356 S HN 0.698 nan 8.310 nan 0.000 0.507 357 E N 0.568 120.866 120.200 0.164 0.000 2.489 357 E HA 0.171 4.521 4.350 -0.000 0.000 0.193 357 E C -0.554 176.125 176.600 0.131 0.000 1.057 357 E CA -0.118 56.362 56.400 0.133 0.000 0.866 357 E CB 0.454 30.241 29.700 0.145 0.000 0.916 357 E HN 0.340 nan 8.360 nan 0.000 0.500 358 V N 2.334 122.320 119.914 0.119 0.000 2.432 358 V HA 0.161 4.281 4.120 -0.000 0.000 0.271 358 V C 0.199 176.284 176.094 -0.016 0.000 1.046 358 V CA -0.022 62.316 62.300 0.063 0.000 0.945 358 V CB 0.808 32.622 31.823 -0.014 0.000 0.992 358 V HN 0.172 nan 8.190 nan 0.000 0.471 359 T N 0.621 115.166 114.554 -0.015 0.000 2.993 359 T HA 0.631 4.981 4.350 -0.000 0.000 0.312 359 T C 0.332 175.005 174.700 -0.046 0.000 1.115 359 T CA -0.125 61.956 62.100 -0.032 0.000 1.027 359 T CB 1.612 70.501 68.868 0.035 0.000 1.116 359 T HN 1.636 nan 8.240 nan 0.000 0.464 360 G N 0.718 109.462 108.800 -0.093 0.000 2.298 360 G HA2 0.081 4.041 3.960 -0.000 0.000 0.287 360 G HA3 0.081 4.041 3.960 -0.000 0.000 0.287 360 G C 0.673 175.463 174.900 -0.183 0.000 1.075 360 G CA -0.016 45.048 45.100 -0.060 0.000 0.960 360 G HN 1.576 nan 8.290 nan 0.000 0.502 361 A N -1.377 121.105 122.820 -0.563 0.000 2.140 361 A HA 0.684 5.004 4.320 -0.000 0.000 0.209 361 A C 1.485 178.605 177.584 -0.774 0.000 1.181 361 A CA 1.509 52.942 52.037 -1.006 0.000 0.824 361 A CB 0.144 18.066 19.000 -1.797 0.000 0.879 361 A HN 0.673 nan 8.150 nan 0.000 0.480 362 F N -0.019 119.863 119.950 -0.114 0.000 2.789 362 F HA 0.137 4.663 4.527 -0.000 0.000 0.320 362 F C 1.117 176.903 175.800 -0.024 0.000 1.079 362 F CA -0.046 57.921 58.000 -0.056 0.000 1.205 362 F CB 0.398 39.356 39.000 -0.068 0.000 1.046 362 F HN 0.284 nan 8.300 nan 0.000 0.586 363 D N 0.358 120.829 120.400 0.118 0.000 2.325 363 D HA 0.022 4.662 4.640 -0.000 0.000 0.225 363 D C 0.467 176.803 176.300 0.060 0.000 1.096 363 D CA -0.001 54.047 54.000 0.081 0.000 0.844 363 D CB -0.257 40.578 40.800 0.058 0.000 0.925 363 D HN 0.116 nan 8.370 nan 0.000 0.513 364 R N -0.335 120.203 120.500 0.063 0.000 2.615 364 R HA 0.423 4.763 4.340 -0.000 0.000 0.270 364 R C -0.097 176.238 176.300 0.058 0.000 1.081 364 R CA -0.019 56.116 56.100 0.059 0.000 1.154 364 R CB 0.720 31.060 30.300 0.067 0.000 1.063 364 R HN -0.089 nan 8.270 nan 0.000 0.519 365 T N 2.296 116.880 114.554 0.049 0.000 2.947 365 T HA 0.352 4.702 4.350 -0.000 0.000 0.337 365 T C -0.547 174.180 174.700 0.044 0.000 1.139 365 T CA -0.681 61.445 62.100 0.043 0.000 0.992 365 T CB 0.307 69.195 68.868 0.034 0.000 1.043 365 T HN 0.407 nan 8.240 nan 0.000 0.498 366 V N 0.193 120.136 119.914 0.049 0.000 2.914 366 V HA 1.033 5.153 4.120 -0.000 0.000 0.314 366 V C -0.409 175.712 176.094 0.045 0.000 1.084 366 V CA -1.551 60.778 62.300 0.048 0.000 0.963 366 V CB 1.691 33.549 31.823 0.059 0.000 1.025 366 V HN 0.798 nan 8.190 nan 0.000 0.432 367 A N 2.493 125.337 122.820 0.040 0.000 2.317 367 A HA 0.942 5.262 4.320 -0.000 0.000 0.327 367 A C 0.271 177.879 177.584 0.039 0.000 1.178 367 A CA -0.250 51.808 52.037 0.035 0.000 0.817 367 A CB 1.192 20.209 19.000 0.028 0.000 1.189 367 A HN 2.233 nan 8.150 nan 0.000 0.489 368 A N 1.973 124.816 122.820 0.038 0.000 2.302 368 A HA 0.627 4.947 4.320 -0.000 0.000 0.295 368 A C 0.808 178.410 177.584 0.031 0.000 1.235 368 A CA 0.177 52.238 52.037 0.041 0.000 0.876 368 A CB -0.311 18.715 19.000 0.044 0.000 1.133 368 A HN 2.105 nan 8.150 nan 0.000 0.533 369 A N 4.785 127.623 122.820 0.030 0.000 2.536 369 A HA 0.482 4.802 4.320 -0.000 0.000 0.234 369 A C -1.705 175.887 177.584 0.015 0.000 1.076 369 A CA -0.680 51.370 52.037 0.022 0.000 0.769 369 A CB -0.515 18.498 19.000 0.022 0.000 1.020 369 A HN 0.738 nan 8.150 nan 0.000 0.508 370 P HA 0.244 nan 4.420 nan 0.000 0.268 370 P C -0.124 177.173 177.300 -0.005 0.000 1.204 370 P CA 0.390 63.491 63.100 0.002 0.000 0.768 370 P CB 0.490 32.190 31.700 0.001 0.000 0.842 371 A N 4.069 126.882 122.820 -0.011 0.000 2.567 371 A HA 0.034 4.354 4.320 -0.000 0.000 0.240 371 A C 0.893 178.456 177.584 -0.034 0.000 1.053 371 A CA -0.096 51.924 52.037 -0.029 0.000 0.755 371 A CB -0.466 18.514 19.000 -0.034 0.000 0.978 371 A HN 0.660 nan 8.150 nan 0.000 0.507 372 Q N 2.654 122.425 119.800 -0.049 0.000 2.288 372 Q HA 0.476 4.816 4.340 -0.000 0.000 0.254 372 Q C -2.627 173.345 176.000 -0.046 0.000 0.932 372 Q CA -1.730 54.049 55.803 -0.041 0.000 0.902 372 Q CB 0.176 28.888 28.738 -0.043 0.000 1.203 372 Q HN 0.438 nan 8.270 nan 0.000 0.415 373 P HA 0.041 nan 4.420 nan 0.000 0.268 373 P C -1.063 176.237 177.300 -0.001 0.000 1.205 373 P CA -0.196 62.897 63.100 -0.011 0.000 0.771 373 P CB 0.935 32.631 31.700 -0.008 0.000 0.858 374 V N 0.358 120.292 119.914 0.033 0.000 3.178 374 V HA 0.800 4.920 4.120 -0.000 0.000 0.302 374 V C -1.347 174.847 176.094 0.167 0.000 1.262 374 V CA -1.007 61.346 62.300 0.088 0.000 1.030 374 V CB 2.255 34.130 31.823 0.085 0.000 1.074 374 V HN 0.373 nan 8.190 nan 0.000 0.438 375 V N 4.167 124.208 119.914 0.212 0.000 2.697 375 V HA 0.754 4.874 4.120 -0.000 0.000 0.300 375 V C -1.464 174.796 176.094 0.277 0.000 1.115 375 V CA 0.024 62.453 62.300 0.215 0.000 0.912 375 V CB 1.645 33.508 31.823 0.066 0.000 1.024 375 V HN 1.569 nan 8.190 nan 0.000 0.431 376 H N 4.946 124.088 119.070 0.120 0.000 2.928 376 H HA 0.596 5.152 4.556 -0.000 0.000 0.371 376 H C -1.108 174.261 175.328 0.069 0.000 1.186 376 H CA -1.430 54.667 56.048 0.081 0.000 1.134 376 H CB 1.945 31.752 29.762 0.075 0.000 1.824 376 H HN 0.548 nan 8.280 nan 0.000 0.554 377 I N 2.160 122.748 120.570 0.029 0.000 2.291 377 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 377 I C 1.347 177.418 176.117 -0.077 0.000 1.064 377 I CA -0.388 60.872 61.300 -0.067 0.000 1.269 377 I CB 1.283 39.247 38.000 -0.060 0.000 1.418 377 I HN 0.813 nan 8.210 nan 0.000 0.485 378 A N 4.916 127.626 122.820 -0.183 0.000 2.015 378 A HA -0.017 4.303 4.320 -0.000 0.000 0.219 378 A C 0.884 178.314 177.584 -0.257 0.000 1.163 378 A CA 1.210 53.127 52.037 -0.200 0.000 0.646 378 A CB -0.154 18.582 19.000 -0.440 0.000 0.806 378 A HN 0.726 nan 8.150 nan 0.000 0.448 379 S N -1.508 114.035 115.700 -0.260 0.000 2.570 379 S HA 0.504 4.974 4.470 -0.000 0.000 0.286 379 S C -3.529 171.002 174.600 -0.114 0.000 1.143 379 S CA -1.237 56.844 58.200 -0.197 0.000 0.921 379 S CB 1.964 64.990 63.200 -0.290 0.000 1.108 379 S HN 0.062 nan 8.310 nan 0.000 0.456 380 P HA 0.453 nan 4.420 nan 0.000 0.280 380 P C 0.142 177.422 177.300 -0.034 0.000 1.244 380 P CA -0.105 62.988 63.100 -0.011 0.000 0.784 380 P CB 0.999 32.750 31.700 0.085 0.000 0.913 381 A N 2.839 125.639 122.820 -0.033 0.000 2.366 381 A HA 0.102 4.422 4.320 -0.000 0.000 0.250 381 A C 0.294 177.876 177.584 -0.003 0.000 1.099 381 A CA -0.119 51.909 52.037 -0.016 0.000 0.794 381 A CB -0.499 18.497 19.000 -0.008 0.000 1.056 381 A HN 0.599 nan 8.150 nan 0.000 0.499 382 D N -0.583 119.822 120.400 0.007 0.000 2.390 382 D HA 0.404 5.044 4.640 -0.000 0.000 0.249 382 D C 1.162 177.471 176.300 0.015 0.000 1.144 382 D CA 1.534 55.540 54.000 0.010 0.000 0.880 382 D CB 0.204 41.014 40.800 0.017 0.000 1.182 382 D HN 1.290 nan 8.370 nan 0.000 0.451 383 G N 2.192 110.997 108.800 0.008 0.000 2.143 383 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.248 383 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.248 383 G C 0.241 175.142 174.900 0.003 0.000 0.991 383 G CA 0.190 45.296 45.100 0.009 0.000 0.689 383 G HN 0.844 nan 8.290 nan 0.000 0.522 384 A N -0.680 122.136 122.820 -0.006 0.000 2.294 384 A HA 0.901 5.221 4.320 -0.000 0.000 0.330 384 A C 0.347 177.915 177.584 -0.027 0.000 1.133 384 A CA -0.238 51.795 52.037 -0.006 0.000 0.836 384 A CB 0.907 19.907 19.000 -0.001 0.000 1.190 384 A HN 0.700 nan 8.150 nan 0.000 0.492 385 R N 0.587 121.073 120.500 -0.025 0.000 2.265 385 R HA 0.488 4.828 4.340 -0.000 0.000 0.319 385 R C -0.527 175.748 176.300 -0.041 0.000 1.006 385 R CA -0.336 55.738 56.100 -0.044 0.000 0.880 385 R CB 1.017 31.297 30.300 -0.034 0.000 1.077 385 R HN 0.810 nan 8.270 nan 0.000 0.454 386 V N 2.435 122.316 119.914 -0.055 0.000 2.509 386 V HA 0.754 4.874 4.120 -0.000 0.000 0.284 386 V C 0.191 176.216 176.094 -0.114 0.000 1.047 386 V CA -0.736 61.522 62.300 -0.071 0.000 0.952 386 V CB 1.219 33.006 31.823 -0.060 0.000 0.988 386 V HN 0.908 nan 8.190 nan 0.000 0.469 387 A N 4.156 126.904 122.820 -0.120 0.000 2.351 387 A HA 0.545 4.865 4.320 -0.000 0.000 0.257 387 A C 1.445 178.924 177.584 -0.174 0.000 1.087 387 A CA 0.167 52.133 52.037 -0.119 0.000 0.798 387 A CB 0.591 19.535 19.000 -0.093 0.000 1.033 387 A HN 1.753 nan 8.150 nan 0.000 0.488 388 S N 1.240 116.854 115.700 -0.143 0.000 2.402 388 S HA 0.125 4.595 4.470 -0.000 0.000 0.229 388 S C 1.174 175.668 174.600 -0.176 0.000 1.021 388 S CA 0.614 58.716 58.200 -0.163 0.000 0.974 388 S CB -0.841 62.294 63.200 -0.108 0.000 0.800 388 S HN 1.546 nan 8.310 nan 0.000 0.484 389 A N 3.260 125.997 122.820 -0.138 0.000 2.492 389 A HA 0.440 4.760 4.320 -0.000 0.000 0.236 389 A C -2.323 175.164 177.584 -0.161 0.000 1.078 389 A CA -1.002 50.962 52.037 -0.122 0.000 0.773 389 A CB -0.643 18.304 19.000 -0.088 0.000 1.023 389 A HN 0.290 nan 8.150 nan 0.000 0.504 390 P HA 0.320 nan 4.420 nan 0.000 0.271 390 P C -0.343 176.894 177.300 -0.106 0.000 1.216 390 P CA 0.248 63.267 63.100 -0.136 0.000 0.776 390 P CB 0.917 32.569 31.700 -0.080 0.000 0.881 391 T N -1.112 113.389 114.554 -0.089 0.000 2.883 391 T HA 0.494 4.844 4.350 -0.000 0.000 0.296 391 T C -0.604 174.121 174.700 0.042 0.000 1.117 391 T CA -0.792 61.287 62.100 -0.034 0.000 1.006 391 T CB 0.983 69.828 68.868 -0.038 0.000 1.191 391 T HN 0.073 nan 8.240 nan 0.000 0.508 392 T N 1.862 116.419 114.554 0.005 0.000 2.743 392 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 392 T C 0.138 174.829 174.700 -0.015 0.000 0.945 392 T CA -0.471 61.630 62.100 0.003 0.000 1.030 392 T CB 0.682 69.517 68.868 -0.056 0.000 0.912 392 T HN 0.523 nan 8.240 nan 0.000 0.483 393 V N 6.425 126.358 119.914 0.032 0.000 2.455 393 V HA 0.330 4.450 4.120 -0.000 0.000 0.273 393 V C 0.520 176.557 176.094 -0.095 0.000 1.045 393 V CA -0.398 61.881 62.300 -0.034 0.000 0.976 393 V CB 0.079 31.868 31.823 -0.058 0.000 0.993 393 V HN 0.763 nan 8.190 nan 0.000 0.475 394 R N 4.168 124.541 120.500 -0.211 0.000 2.513 394 R HA 0.812 5.152 4.340 -0.000 0.000 0.301 394 R C -1.630 174.545 176.300 -0.208 0.000 0.968 394 R CA -0.748 55.198 56.100 -0.257 0.000 0.872 394 R CB 1.722 31.622 30.300 -0.667 0.000 1.177 394 R HN 0.354 nan 8.270 nan 0.000 0.444 395 V N 2.767 122.696 119.914 0.025 0.000 2.667 395 V HA 0.519 4.639 4.120 -0.000 0.000 0.308 395 V C -0.082 176.173 176.094 0.267 0.000 1.048 395 V CA -0.927 61.409 62.300 0.061 0.000 0.928 395 V CB 1.880 33.734 31.823 0.052 0.000 1.004 395 V HN 0.614 nan 8.190 nan 0.000 0.444 396 R N 2.590 123.158 120.500 0.113 0.000 2.439 396 R HA 0.651 4.991 4.340 -0.000 0.000 0.310 396 R C -1.767 174.630 176.300 0.161 0.000 0.955 396 R CA -0.429 55.810 56.100 0.231 0.000 0.853 396 R CB 1.730 32.094 30.300 0.107 0.000 1.171 396 R HN 0.518 nan 8.270 nan 0.000 0.449 397 V N 3.177 123.226 119.914 0.226 0.000 2.409 397 V HA 0.697 4.817 4.120 -0.000 0.000 0.291 397 V C 0.556 176.746 176.094 0.159 0.000 1.020 397 V CA -0.856 61.526 62.300 0.136 0.000 0.848 397 V CB 1.705 33.527 31.823 -0.002 0.000 0.990 397 V HN 0.828 nan 8.190 nan 0.000 0.430 398 G N 1.776 110.664 108.800 0.146 0.000 2.533 398 G HA2 0.618 4.578 3.960 -0.000 0.000 0.304 398 G HA3 0.618 4.578 3.960 -0.000 0.000 0.304 398 G C 0.558 175.482 174.900 0.039 0.000 1.263 398 G CA -0.238 44.924 45.100 0.103 0.000 0.964 398 G HN 1.607 nan 8.290 nan 0.000 0.479 399 G N -1.171 107.638 108.800 0.015 0.000 2.137 399 G HA2 0.175 4.135 3.960 -0.000 0.000 0.237 399 G HA3 0.175 4.135 3.960 -0.000 0.000 0.237 399 G C 0.299 175.197 174.900 -0.004 0.000 1.002 399 G CA 1.159 46.255 45.100 -0.006 0.000 0.702 399 G HN 2.009 nan 8.290 nan 0.000 0.515 400 T N -0.903 113.651 114.554 0.001 0.000 2.843 400 T HA 0.381 4.731 4.350 -0.000 0.000 0.337 400 T C -1.798 172.900 174.700 -0.004 0.000 1.754 400 T CA -0.052 62.045 62.100 -0.005 0.000 1.052 400 T CB 1.067 69.929 68.868 -0.011 0.000 1.588 400 T HN 0.076 nan 8.240 nan 0.000 0.493 401 D N 2.298 122.693 120.400 -0.007 0.000 2.348 401 D HA 0.353 4.993 4.640 -0.000 0.000 0.253 401 D C 0.071 176.368 176.300 -0.004 0.000 1.161 401 D CA 0.105 54.103 54.000 -0.003 0.000 0.876 401 D CB 1.500 42.298 40.800 -0.003 0.000 1.160 401 D HN 0.303 nan 8.370 nan 0.000 0.459 402 V N 3.085 123.013 119.914 0.023 0.000 2.407 402 V HA 0.041 4.161 4.120 -0.000 0.000 0.278 402 V C 1.361 177.478 176.094 0.037 0.000 1.037 402 V CA -0.270 62.015 62.300 -0.025 0.000 0.900 402 V CB 1.702 33.478 31.823 -0.078 0.000 0.983 402 V HN 0.555 nan 8.190 nan 0.000 0.459 403 Q N 3.761 123.529 119.800 -0.053 0.000 2.165 403 Q HA 0.072 4.412 4.340 -0.000 0.000 0.197 403 Q C 0.683 176.675 176.000 -0.012 0.000 0.952 403 Q CA 1.118 56.927 55.803 0.010 0.000 0.848 403 Q CB 0.669 29.398 28.738 -0.016 0.000 0.931 403 Q HN 0.880 nan 8.270 nan 0.000 0.470 404 S N -1.336 114.219 115.700 -0.243 0.000 2.570 404 S HA 0.656 5.126 4.470 -0.000 0.000 0.270 404 S C -1.159 173.083 174.600 -0.598 0.000 1.149 404 S CA -0.902 57.100 58.200 -0.330 0.000 0.837 404 S CB 2.204 65.338 63.200 -0.110 0.000 1.124 404 S HN 0.003 nan 8.310 nan 0.000 0.465 405 V N 1.450 121.027 119.914 -0.561 0.000 2.668 405 V HA 0.698 4.818 4.120 -0.000 0.000 0.304 405 V C -0.546 175.450 176.094 -0.164 0.000 1.071 405 V CA -0.306 61.724 62.300 -0.450 0.000 0.894 405 V CB 1.929 33.356 31.823 -0.659 0.000 1.008 405 V HN 1.105 nan 8.190 nan 0.000 0.425 406 T N 3.534 118.009 114.554 -0.130 0.000 2.924 406 T HA 0.805 5.155 4.350 -0.000 0.000 0.291 406 T C -0.818 173.832 174.700 -0.083 0.000 1.045 406 T CA -0.562 61.493 62.100 -0.074 0.000 1.015 406 T CB 2.193 71.022 68.868 -0.064 0.000 1.103 406 T HN 0.385 nan 8.240 nan 0.000 0.496 407 V N 1.711 121.575 119.914 -0.083 0.000 2.789 407 V HA 0.523 4.643 4.120 -0.000 0.000 0.311 407 V C -0.732 175.284 176.094 -0.131 0.000 1.073 407 V CA -0.839 61.388 62.300 -0.122 0.000 0.921 407 V CB 2.182 33.908 31.823 -0.162 0.000 1.009 407 V HN 0.864 nan 8.190 nan 0.000 0.426 408 E N 2.254 122.369 120.200 -0.141 0.000 2.244 408 E HA 0.449 4.799 4.350 -0.000 0.000 0.260 408 E C -1.482 175.025 176.600 -0.155 0.000 0.884 408 E CA -0.553 55.773 56.400 -0.122 0.000 0.777 408 E CB 2.582 32.238 29.700 -0.073 0.000 1.197 408 E HN 0.445 nan 8.360 nan 0.000 0.416 409 V N 2.896 122.702 119.914 -0.180 0.000 2.368 409 V HA 0.393 4.513 4.120 -0.000 0.000 0.266 409 V C 0.374 176.451 176.094 -0.029 0.000 1.045 409 V CA -0.203 61.994 62.300 -0.171 0.000 0.899 409 V CB 0.606 32.291 31.823 -0.230 0.000 1.006 409 V HN 0.712 nan 8.190 nan 0.000 0.470 410 A N 4.813 127.632 122.820 -0.002 0.000 2.261 410 A HA 0.949 5.269 4.320 -0.000 0.000 0.323 410 A C -0.334 177.302 177.584 0.086 0.000 1.107 410 A CA -0.424 51.633 52.037 0.034 0.000 0.883 410 A CB 1.875 20.886 19.000 0.017 0.000 1.251 410 A HN 0.801 nan 8.150 nan 0.000 0.502 416 V N 1.178 121.123 119.914 0.051 0.000 2.649 416 V HA 0.170 4.290 4.120 -0.000 0.000 0.248 416 V C 0.624 176.766 176.094 0.081 0.000 1.054 416 V CA 1.660 64.007 62.300 0.078 0.000 1.073 416 V CB 0.037 31.935 31.823 0.126 0.000 0.699 416 V HN 0.900 nan 8.190 nan 0.000 0.463 417 D N -1.733 118.701 120.400 0.057 0.000 2.583 417 D HA 0.440 5.080 4.640 -0.000 0.000 0.248 417 D C -1.196 175.096 176.300 -0.013 0.000 1.209 417 D CA -0.042 53.985 54.000 0.046 0.000 0.848 417 D CB 2.809 43.668 40.800 0.098 0.000 1.431 417 D HN 0.031 nan 8.370 nan 0.000 0.436 418 T N 1.335 115.884 114.554 -0.008 0.000 3.031 418 T HA 0.468 4.818 4.350 -0.000 0.000 0.305 418 T C -0.458 174.231 174.700 -0.018 0.000 0.985 418 T CA -0.483 61.601 62.100 -0.027 0.000 1.008 418 T CB 0.697 69.559 68.868 -0.011 0.000 1.005 418 T HN 0.127 nan 8.240 nan 0.000 0.444 419 L N 2.434 123.631 121.223 -0.043 0.000 2.334 419 L HA 0.637 4.977 4.340 -0.000 0.000 0.276 419 L C -0.426 176.445 176.870 0.002 0.000 1.014 419 L CA -0.995 53.836 54.840 -0.016 0.000 0.815 419 L CB 1.752 43.785 42.059 -0.044 0.000 1.268 419 L HN 0.494 nan 8.230 nan 0.000 0.428 420 D N 2.429 122.851 120.400 0.036 0.000 2.392 420 D HA 0.473 5.113 4.640 -0.000 0.000 0.228 420 D C -0.478 175.890 176.300 0.113 0.000 1.074 420 D CA -0.243 53.794 54.000 0.061 0.000 0.838 420 D CB 1.008 41.846 40.800 0.064 0.000 1.067 420 D HN 0.245 nan 8.370 nan 0.000 0.511 421 L N 1.583 122.904 121.223 0.163 0.000 2.439 421 L HA 0.790 5.130 4.340 -0.000 0.000 0.259 421 L C 0.182 177.335 176.870 0.473 0.000 1.129 421 L CA -1.060 53.952 54.840 0.287 0.000 0.803 421 L CB 1.138 43.395 42.059 0.331 0.000 1.161 421 L HN 0.364 nan 8.230 nan 0.000 0.462 422 A N 0.745 123.792 122.820 0.378 0.000 2.427 422 A HA 0.408 4.728 4.320 -0.000 0.000 0.298 422 A C -1.255 176.207 177.584 -0.205 0.000 1.036 422 A CA -0.480 51.640 52.037 0.139 0.000 0.701 422 A CB 0.905 19.942 19.000 0.061 0.000 1.250 422 A HN 0.525 nan 8.150 nan 0.000 0.412 423 Y N 2.709 122.346 120.300 -1.106 0.000 2.721 423 Y HA 0.111 4.661 4.550 -0.000 0.000 0.329 423 Y C 1.042 176.660 175.900 -0.470 0.000 1.211 423 Y CA 0.480 57.873 58.100 -1.177 0.000 1.512 423 Y CB 0.659 38.270 38.460 -1.415 0.000 1.249 423 Y HN 0.798 nan 8.280 nan 0.000 0.549 424 D N 3.098 123.057 120.400 -0.736 0.000 2.324 424 D HA 0.087 4.727 4.640 -0.000 0.000 0.235 424 D C 1.631 177.476 176.300 -0.759 0.000 1.095 424 D CA 0.574 54.258 54.000 -0.525 0.000 0.871 424 D CB -0.559 40.106 40.800 -0.226 0.000 0.906 424 D HN 0.881 nan 8.370 nan 0.000 0.522 425 G N -0.807 107.106 108.800 -1.478 0.000 2.196 425 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.268 425 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.268 425 G C 0.929 175.461 174.900 -0.613 0.000 0.975 425 G CA 0.604 45.148 45.100 -0.926 0.000 0.648 425 G HN 0.944 nan 8.290 nan 0.000 0.538 426 A N -1.961 120.432 122.820 -0.711 0.000 1.878 426 A HA 0.776 5.096 4.320 -0.000 0.000 0.201 426 A C 1.657 179.154 177.584 -0.144 0.000 1.684 426 A CA 1.458 53.341 52.037 -0.257 0.000 1.113 426 A CB 0.256 19.140 19.000 -0.193 0.000 1.131 426 A HN 0.920 nan 8.150 nan 0.000 0.472 427 L N -2.833 118.250 121.223 -0.234 0.000 2.249 427 L HA 0.282 4.622 4.340 -0.000 0.000 0.204 427 L C -0.528 176.350 176.870 0.013 0.000 1.135 427 L CA -0.069 54.662 54.840 -0.181 0.000 1.070 427 L CB 0.326 42.020 42.059 -0.609 0.000 2.194 427 L HN 0.411 nan 8.230 nan 0.000 0.504 428 W N -0.306 121.068 121.300 0.123 0.000 2.497 428 W HA 0.273 4.933 4.660 -0.000 0.000 0.359 428 W C -0.974 175.637 176.519 0.153 0.000 1.131 428 W CA -0.712 56.737 57.345 0.173 0.000 1.280 428 W CB 0.367 29.880 29.460 0.089 0.000 1.319 428 W HN -0.043 nan 8.180 nan 0.000 0.626 429 W N 1.522 123.048 121.300 0.377 0.000 2.429 429 W HA 0.409 5.069 4.660 -0.000 0.000 0.314 429 W C 0.537 177.143 176.519 0.145 0.000 1.062 429 W CA -0.030 57.466 57.345 0.251 0.000 1.211 429 W CB 1.493 31.065 29.460 0.188 0.000 1.305 429 W HN 0.094 nan 8.180 nan 0.000 0.476 430 T N 0.217 114.925 114.554 0.257 0.000 2.773 430 T HA 0.958 5.308 4.350 -0.000 0.000 0.278 430 T C -0.601 174.169 174.700 0.117 0.000 1.011 430 T CA -0.836 61.348 62.100 0.140 0.000 1.014 430 T CB 2.028 70.942 68.868 0.077 0.000 1.293 430 T HN 0.988 nan 8.240 nan 0.000 0.554 431 A N 0.504 123.368 122.820 0.073 0.000 2.586 431 A HA 0.669 4.989 4.320 -0.000 0.000 0.298 431 A C -3.406 174.226 177.584 0.080 0.000 1.013 431 A CA -1.245 50.836 52.037 0.074 0.000 0.707 431 A CB 0.189 19.236 19.000 0.079 0.000 1.276 431 A HN 0.680 nan 8.150 nan 0.000 0.414 432 P HA 0.469 nan 4.420 nan 0.000 0.275 432 P C -1.134 176.292 177.300 0.210 0.000 1.228 432 P CA 0.287 63.452 63.100 0.109 0.000 0.786 432 P CB 0.428 32.170 31.700 0.071 0.000 0.927 433 W N 3.309 124.595 121.300 -0.024 0.000 2.934 433 W HA 0.440 5.100 4.660 -0.000 0.000 0.333 433 W C -1.319 175.186 176.519 -0.023 0.000 1.035 433 W CA -0.606 56.726 57.345 -0.021 0.000 1.256 433 W CB 1.170 30.613 29.460 -0.028 0.000 1.306 433 W HN 0.135 nan 8.180 nan 0.000 0.430 434 S N 7.712 123.295 115.700 -0.196 0.000 2.512 434 S HA 0.522 4.992 4.470 -0.000 0.000 0.291 434 S C -1.822 172.467 174.600 -0.519 0.000 1.151 434 S CA -1.028 56.963 58.200 -0.349 0.000 1.120 434 S CB 0.005 63.123 63.200 -0.137 0.000 1.029 434 S HN 0.314 nan 8.310 nan 0.000 0.485 446 T N 2.256 116.910 114.554 0.167 0.000 2.788 446 T HA 0.617 4.967 4.350 -0.000 0.000 0.296 446 T C -1.076 173.597 174.700 -0.045 0.000 1.009 446 T CA -0.261 61.873 62.100 0.057 0.000 0.949 446 T CB 0.917 69.821 68.868 0.059 0.000 0.946 446 T HN -0.078 nan 8.240 nan 0.000 0.453 447 V N 5.096 124.952 119.914 -0.096 0.000 2.370 447 V HA 0.496 4.615 4.120 -0.000 0.000 0.283 447 V C 0.214 176.234 176.094 -0.124 0.000 1.023 447 V CA -0.653 61.533 62.300 -0.190 0.000 0.857 447 V CB 1.590 33.254 31.823 -0.266 0.000 0.985 447 V HN 0.906 nan 8.190 nan 0.000 0.443 448 T N 4.162 118.643 114.554 -0.122 0.000 2.809 448 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 448 T C -0.044 174.600 174.700 -0.093 0.000 0.992 448 T CA -0.342 61.708 62.100 -0.083 0.000 0.957 448 T CB 1.607 70.440 68.868 -0.060 0.000 0.942 448 T HN 0.841 nan 8.240 nan 0.000 0.439 449 A N 2.996 125.769 122.820 -0.078 0.000 2.292 449 A HA 0.742 5.062 4.320 -0.000 0.000 0.319 449 A C 0.157 177.695 177.584 -0.078 0.000 1.206 449 A CA -0.611 51.376 52.037 -0.083 0.000 0.835 449 A CB 0.514 19.469 19.000 -0.075 0.000 1.164 449 A HN 0.700 nan 8.150 nan 0.000 0.505 450 T N 1.731 116.227 114.554 -0.095 0.000 2.841 450 T HA 0.649 4.999 4.350 -0.000 0.000 0.285 450 T C -0.387 174.225 174.700 -0.147 0.000 0.991 450 T CA -0.012 62.029 62.100 -0.097 0.000 0.966 450 T CB 1.514 70.335 68.868 -0.080 0.000 0.962 450 T HN 1.134 nan 8.240 nan 0.000 0.438 451 A N 2.555 125.279 122.820 -0.160 0.000 2.319 451 A HA 0.649 4.969 4.320 -0.000 0.000 0.310 451 A C 0.243 177.717 177.584 -0.184 0.000 1.152 451 A CA -0.750 51.141 52.037 -0.244 0.000 0.783 451 A CB 0.645 19.476 19.000 -0.283 0.000 1.184 451 A HN 0.659 nan 8.150 nan 0.000 0.474 452 T N 2.871 117.312 114.554 -0.188 0.000 2.776 452 T HA 0.363 4.713 4.350 -0.000 0.000 0.292 452 T C 0.407 175.033 174.700 -0.124 0.000 0.921 452 T CA 0.648 62.674 62.100 -0.124 0.000 1.038 452 T CB -0.002 68.808 68.868 -0.098 0.000 0.910 452 T HN 0.695 nan 8.240 nan 0.000 0.536 453 T N 1.373 115.870 114.554 -0.095 0.000 2.938 453 T HA 0.586 4.936 4.350 -0.000 0.000 0.285 453 T C 1.540 176.213 174.700 -0.044 0.000 1.028 453 T CA -0.320 61.735 62.100 -0.076 0.000 1.005 453 T CB 0.926 69.752 68.868 -0.070 0.000 1.157 453 T HN 0.453 nan 8.240 nan 0.000 0.550 454 A N 0.928 123.729 122.820 -0.032 0.000 2.125 454 A HA 0.260 4.580 4.320 -0.000 0.000 0.219 454 A C 1.928 179.501 177.584 -0.018 0.000 1.156 454 A CA 1.650 53.675 52.037 -0.020 0.000 0.671 454 A CB -0.701 18.291 19.000 -0.013 0.000 0.794 454 A HN 0.901 nan 8.150 nan 0.000 0.459 455 A N -1.497 121.311 122.820 -0.021 0.000 2.423 455 A HA 0.530 4.850 4.320 -0.000 0.000 0.246 455 A C 1.122 178.694 177.584 -0.020 0.000 1.278 455 A CA 0.926 52.952 52.037 -0.017 0.000 0.903 455 A CB -0.799 18.192 19.000 -0.015 0.000 0.997 455 A HN 1.988 nan 8.150 nan 0.000 0.510 456 G N -1.466 107.319 108.800 -0.025 0.000 2.434 456 G HA2 0.041 4.001 3.960 -0.000 0.000 0.671 456 G HA3 0.041 4.001 3.960 -0.000 0.000 0.671 456 G C -0.383 174.494 174.900 -0.038 0.000 1.280 456 G CA -0.441 44.642 45.100 -0.027 0.000 0.975 456 G HN 0.485 nan 8.290 nan 0.000 0.510 457 T N 1.540 116.072 114.554 -0.037 0.000 2.729 457 T HA 0.547 4.897 4.350 -0.000 0.000 0.296 457 T C 0.543 175.218 174.700 -0.041 0.000 0.928 457 T CA 0.077 62.149 62.100 -0.047 0.000 1.045 457 T CB 0.222 69.065 68.868 -0.042 0.000 0.902 457 T HN 0.568 nan 8.240 nan 0.000 0.500 458 L N 4.398 125.590 121.223 -0.051 0.000 2.329 458 L HA 0.678 5.018 4.340 -0.000 0.000 0.279 458 L C -0.267 176.577 176.870 -0.042 0.000 1.014 458 L CA -1.139 53.679 54.840 -0.036 0.000 0.814 458 L CB 1.488 43.530 42.059 -0.029 0.000 1.257 458 L HN 0.642 nan 8.230 nan 0.000 0.424 459 D N 1.525 121.910 120.400 -0.025 0.000 2.547 459 D HA 0.688 5.328 4.640 -0.000 0.000 0.231 459 D C -1.057 175.238 176.300 -0.008 0.000 1.099 459 D CA -0.742 53.241 54.000 -0.028 0.000 0.901 459 D CB 2.678 43.460 40.800 -0.030 0.000 1.478 459 D HN 0.272 nan 8.370 nan 0.000 0.471 460 V N -0.628 119.280 119.914 -0.011 0.000 3.120 460 V HA 0.732 4.852 4.120 -0.000 0.000 0.303 460 V C -1.611 174.478 176.094 -0.009 0.000 1.238 460 V CA -0.250 62.054 62.300 0.006 0.000 1.008 460 V CB 2.418 34.262 31.823 0.034 0.000 1.064 460 V HN 0.863 nan 8.190 nan 0.000 0.434 461 T N 4.721 119.275 114.554 -0.001 0.000 2.937 461 T HA 0.535 4.885 4.350 -0.000 0.000 0.297 461 T C -0.912 173.787 174.700 -0.003 0.000 0.991 461 T CA -0.455 61.638 62.100 -0.011 0.000 0.990 461 T CB 1.198 70.062 68.868 -0.006 0.000 0.991 461 T HN 0.689 nan 8.240 nan 0.000 0.440 462 N N 2.132 120.822 118.700 -0.017 0.000 2.417 462 N HA 0.479 5.219 4.740 -0.000 0.000 0.300 462 N C -0.614 174.891 175.510 -0.007 0.000 1.102 462 N CA -0.761 52.283 53.050 -0.010 0.000 0.886 462 N CB 1.677 40.150 38.487 -0.024 0.000 1.203 462 N HN 0.705 nan 8.380 nan 0.000 0.496 463 E N 1.186 121.391 120.200 0.008 0.000 2.185 463 E HA 0.496 4.846 4.350 -0.000 0.000 0.261 463 E C -0.734 175.854 176.600 -0.020 0.000 0.879 463 E CA -0.696 55.718 56.400 0.023 0.000 0.756 463 E CB 0.812 30.552 29.700 0.066 0.000 1.152 463 E HN 0.401 nan 8.360 nan 0.000 0.416 464 V N 1.084 120.948 119.914 -0.083 0.000 3.624 464 V HA 1.045 5.165 4.120 -0.000 0.000 0.297 464 V C -0.566 175.279 176.094 -0.415 0.000 1.319 464 V CA -0.211 61.999 62.300 -0.149 0.000 0.990 464 V CB 1.060 32.858 31.823 -0.041 0.000 1.247 464 V HN 0.783 nan 8.190 nan 0.000 0.476 465 A N -0.916 121.711 122.820 -0.321 0.000 2.599 465 A HA 0.946 5.266 4.320 -0.000 0.000 0.294 465 A C -0.491 176.976 177.584 -0.196 0.000 1.055 465 A CA -0.241 51.528 52.037 -0.447 0.000 0.683 465 A CB 0.818 19.607 19.000 -0.353 0.000 1.278 465 A HN 2.346 nan 8.150 nan 0.000 0.412 466 A N -0.074 122.662 122.820 -0.139 0.000 2.256 466 A HA 0.879 5.199 4.320 -0.000 0.000 0.318 466 A C 0.913 178.467 177.584 -0.050 0.000 1.103 466 A CA 0.313 52.302 52.037 -0.079 0.000 0.860 466 A CB 0.878 19.851 19.000 -0.046 0.000 1.182 466 A HN 2.359 nan 8.150 nan 0.000 0.501 467 A N -1.146 121.643 122.820 -0.051 0.000 1.988 467 A HA 0.671 4.991 4.320 -0.000 0.000 0.201 467 A C 0.659 178.229 177.584 -0.023 0.000 1.410 467 A CA 1.710 53.728 52.037 -0.033 0.000 0.832 467 A CB -0.562 18.415 19.000 -0.038 0.000 0.981 467 A HN 2.610 nan 8.150 nan 0.000 0.492 468 L N 0.000 121.203 121.223 -0.033 0.000 2.949 468 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 468 L CA 0.000 nan 54.840 nan 0.000 0.813 468 L CB 0.000 nan 42.059 nan 0.000 0.961 468 L HN 0.000 nan 8.230 nan 0.000 0.502