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 1zm3_1_A DATA FIRST_RESID 2 DATA SEQUENCE VAFTVDQMRS LMDKVTNVRN MSVIAHVDHG KSTLTDSLVQ RAGIISAXXX DATA SEQUENCE XXXXXXXXXX XXXXXGITIK STAISLYSEM SDEDVKEIKQ KTDGNSFLIN DATA SEQUENCE LIDSPGHVDF SSEVTAALRV TDGALVVVDT IEGVCVQTET VLRQALGERI DATA SEQUENCE KPVVVINKVD RALLELQVSK EDLYQTFART VESVNVIVST YADEVLGDVQ DATA SEQUENCE VYPARGTVAF GSGLHGWAFT IRQFATRYAK KFGVDKAKMM DRLWGDSFFN DATA SEQUENCE PKTKKWTNKD TDAEGKPLER AFNMFILDPI FRLFTAIMNF KKDEIPVLLE DATA SEQUENCE KLEIVLKGDE KDLEGKALLK VVMRKFLPAA DALLEMIVLH LPSPVTAQAY DATA SEQUENCE RAEQLYEGPA DDANCIAIKN CDPKADLMLY VSKMVPTSDK GRFYAFGRVF DATA SEQUENCE AGTVKSGQKV RIQGPNYVPG KKDDLFIKAI QRVVLMMGRF VEPIDDCPAG DATA SEQUENCE NIIGLVGIDQ FLLKTGTLTT SETAHNMKVM KFSVSPVVQV AVEVKNANDL DATA SEQUENCE PKLVEGLKRL SKSDPCVLTY MSESGEHIVA GTGELHLEIC LQDLEHDHAG DATA SEQUENCE VPLKISPPVV AYRETVESES SQTALSKSPN KHNRIYLKAE PIDEEVSLAI DATA SEQUENCE ENGIINPRDD FKARARIMAD DYGWDVTDAR KIWCFGPDGN GPNLVIDQTK DATA SEQUENCE AVQYLHEIKD SVVAAFQWAT KEGPIFGEEM RSVRVNILDV TLHADAIXRG DATA SEQUENCE GGQIIPTMRR ATYAGFLLAD PKIQEPVFLV EIQCPEQAVG GIYSVLNKKR DATA SEQUENCE GQVVSEEQRP GTPLFTVKAY LPVNESFGFT GELRQATGGQ AFPQMVFDHW DATA SEQUENCE STLGSDPLDP TSKAGEIVLA ARKRHGMKEE VPGWQEYYDK L 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.862 176.094 -0.387 0.000 1.182 2 V CA 0.000 62.134 62.300 -0.277 0.000 1.235 2 V CB 0.000 31.546 31.823 -0.462 0.000 1.184 3 A N 3.405 125.970 122.820 -0.425 0.000 2.301 3 A HA 0.945 5.269 4.320 0.008 0.000 0.312 3 A C -1.316 175.977 177.584 -0.486 0.000 1.182 3 A CA -0.207 51.640 52.037 -0.316 0.000 0.826 3 A CB 0.652 19.552 19.000 -0.168 0.000 1.134 3 A HN 0.854 nan 8.150 nan 0.000 0.501 4 F N 0.023 119.942 119.950 -0.052 0.000 2.588 4 F HA 0.578 5.109 4.527 0.008 0.000 0.314 4 F C 0.956 176.729 175.800 -0.044 0.000 1.069 4 F CA -0.305 57.654 58.000 -0.069 0.000 0.931 4 F CB 2.385 41.333 39.000 -0.086 0.000 1.260 4 F HN 0.684 nan 8.300 nan 0.000 0.465 5 T N -1.608 113.062 114.554 0.192 0.000 2.902 5 T HA 0.383 4.738 4.350 0.008 0.000 0.280 5 T C 0.992 175.727 174.700 0.059 0.000 0.992 5 T CA -0.666 61.485 62.100 0.086 0.000 1.015 5 T CB 1.253 70.153 68.868 0.052 0.000 1.044 5 T HN 0.311 nan 8.240 nan 0.000 0.520 6 V N 1.446 121.380 119.914 0.032 0.000 2.453 6 V HA -0.177 3.947 4.120 0.008 0.000 0.252 6 V C 2.448 178.536 176.094 -0.010 0.000 1.068 6 V CA 2.137 64.445 62.300 0.013 0.000 1.070 6 V CB -0.804 31.024 31.823 0.008 0.000 0.664 6 V HN 0.885 nan 8.190 nan 0.000 0.461 7 D N -0.411 119.983 120.400 -0.010 0.000 2.097 7 D HA -0.179 4.465 4.640 0.008 0.000 0.195 7 D C 2.311 178.576 176.300 -0.059 0.000 0.989 7 D CA 1.347 55.331 54.000 -0.028 0.000 0.827 7 D CB -0.198 40.591 40.800 -0.018 0.000 0.966 7 D HN 0.552 nan 8.370 nan 0.000 0.456 8 Q N -0.154 119.610 119.800 -0.061 0.000 2.045 8 Q HA -0.157 4.188 4.340 0.008 0.000 0.206 8 Q C 2.330 178.164 176.000 -0.276 0.000 0.991 8 Q CA 1.110 56.813 55.803 -0.167 0.000 0.851 8 Q CB -0.103 28.569 28.738 -0.111 0.000 0.911 8 Q HN 0.246 nan 8.270 nan 0.000 0.418 9 M N 0.686 120.161 119.600 -0.208 0.000 2.065 9 M HA -0.199 4.286 4.480 0.008 0.000 0.259 9 M C 2.311 178.538 176.300 -0.122 0.000 1.069 9 M CA 1.932 57.126 55.300 -0.177 0.000 1.110 9 M CB -1.091 31.473 32.600 -0.061 0.000 1.328 9 M HN 0.284 nan 8.290 nan 0.000 0.405 10 R N -0.684 119.767 120.500 -0.082 0.000 2.083 10 R HA -0.131 4.214 4.340 0.008 0.000 0.237 10 R C 2.401 178.654 176.300 -0.077 0.000 1.137 10 R CA 2.184 58.246 56.100 -0.064 0.000 0.951 10 R CB -1.220 29.053 30.300 -0.046 0.000 0.851 10 R HN 0.273 nan 8.270 nan 0.000 0.434 11 S N 0.724 116.369 115.700 -0.092 0.000 2.365 11 S HA -0.148 4.326 4.470 0.008 0.000 0.225 11 S C 1.908 176.444 174.600 -0.107 0.000 1.039 11 S CA 1.355 59.499 58.200 -0.093 0.000 1.033 11 S CB -0.301 62.839 63.200 -0.099 0.000 0.887 11 S HN 0.396 nan 8.310 nan 0.000 0.447 12 L N 1.278 122.413 121.223 -0.147 0.000 2.141 12 L HA 0.176 4.521 4.340 0.008 0.000 0.209 12 L C 2.166 178.982 176.870 -0.089 0.000 1.094 12 L CA 1.779 56.535 54.840 -0.140 0.000 0.763 12 L CB -0.623 41.306 42.059 -0.216 0.000 0.908 12 L HN 0.410 nan 8.230 nan 0.000 0.437 13 M N -1.430 118.122 119.600 -0.081 0.000 2.619 13 M HA -0.090 4.395 4.480 0.008 0.000 0.251 13 M C 1.259 177.527 176.300 -0.053 0.000 1.106 13 M CA 0.701 55.966 55.300 -0.058 0.000 1.086 13 M CB -0.248 32.320 32.600 -0.054 0.000 1.465 13 M HN 0.211 nan 8.290 nan 0.000 0.506 14 D N 0.823 121.189 120.400 -0.057 0.000 2.271 14 D HA -0.001 4.644 4.640 0.008 0.000 0.206 14 D C 0.198 176.470 176.300 -0.047 0.000 0.967 14 D CA 0.845 54.816 54.000 -0.049 0.000 0.867 14 D CB 0.363 41.134 40.800 -0.049 0.000 0.960 14 D HN 0.203 nan 8.370 nan 0.000 0.509 15 K N 0.812 121.179 120.400 -0.055 0.000 2.333 15 K HA 0.148 4.473 4.320 0.008 0.000 0.241 15 K C 1.104 177.682 176.600 -0.036 0.000 1.193 15 K CA -0.159 56.096 56.287 -0.055 0.000 1.142 15 K CB 0.964 33.414 32.500 -0.085 0.000 1.731 15 K HN -0.180 nan 8.250 nan 0.000 0.344 16 V N 0.457 120.355 119.914 -0.026 0.000 2.568 16 V HA -0.297 3.828 4.120 0.008 0.000 0.253 16 V C 2.178 178.280 176.094 0.013 0.000 1.072 16 V CA 2.383 64.675 62.300 -0.014 0.000 1.084 16 V CB -1.026 30.782 31.823 -0.025 0.000 0.676 16 V HN 0.778 nan 8.190 nan 0.000 0.469 17 T N -1.849 112.713 114.554 0.014 0.000 2.977 17 T HA -0.144 4.211 4.350 0.008 0.000 0.271 17 T C 1.106 175.875 174.700 0.115 0.000 1.105 17 T CA 1.613 63.740 62.100 0.045 0.000 1.116 17 T CB -0.431 68.454 68.868 0.028 0.000 0.878 17 T HN 0.485 nan 8.240 nan 0.000 0.509 18 N N 0.507 119.260 118.700 0.088 0.000 2.389 18 N HA 0.403 5.148 4.740 0.008 0.000 0.260 18 N C -1.182 174.492 175.510 0.272 0.000 1.191 18 N CA -0.190 52.978 53.050 0.196 0.000 0.885 18 N CB 1.117 39.441 38.487 -0.273 0.000 1.162 18 N HN 0.263 nan 8.380 nan 0.000 0.512 19 V N 0.546 120.561 119.914 0.168 0.000 2.715 19 V HA 0.559 4.683 4.120 0.008 0.000 0.310 19 V C -0.254 175.886 176.094 0.077 0.000 1.054 19 V CA -0.854 61.511 62.300 0.107 0.000 0.928 19 V CB 2.336 34.181 31.823 0.036 0.000 1.007 19 V HN 0.074 nan 8.190 nan 0.000 0.437 20 R N 2.818 123.349 120.500 0.051 0.000 2.500 20 R HA 0.412 4.757 4.340 0.008 0.000 0.299 20 R C -1.308 175.000 176.300 0.014 0.000 1.038 20 R CA -0.557 55.552 56.100 0.016 0.000 0.903 20 R CB 1.473 31.766 30.300 -0.011 0.000 1.177 20 R HN 0.624 nan 8.270 nan 0.000 0.455 21 N N 4.452 123.154 118.700 0.004 0.000 2.439 21 N HA 0.376 5.120 4.740 0.008 0.000 0.249 21 N C -0.010 175.511 175.510 0.019 0.000 1.003 21 N CA -0.336 52.719 53.050 0.008 0.000 0.942 21 N CB 1.389 39.865 38.487 -0.018 0.000 1.115 21 N HN 0.434 nan 8.380 nan 0.000 0.505 22 M N -0.789 118.827 119.600 0.027 0.000 2.843 22 M HA 0.679 5.164 4.480 0.008 0.000 0.273 22 M C -0.315 176.003 176.300 0.030 0.000 1.286 22 M CA -0.921 54.392 55.300 0.023 0.000 0.807 22 M CB 1.270 33.873 32.600 0.004 0.000 1.684 22 M HN 0.229 nan 8.290 nan 0.000 0.458 23 S N -0.845 114.865 115.700 0.017 0.000 2.732 23 S HA 0.955 5.430 4.470 0.008 0.000 0.293 23 S C -1.268 173.328 174.600 -0.007 0.000 1.159 23 S CA -0.880 57.328 58.200 0.014 0.000 0.847 23 S CB 1.733 64.947 63.200 0.023 0.000 1.169 23 S HN 0.829 nan 8.310 nan 0.000 0.501 24 V N 1.360 121.266 119.914 -0.013 0.000 2.380 24 V HA 0.425 4.549 4.120 0.008 0.000 0.286 24 V C -1.021 175.057 176.094 -0.026 0.000 1.015 24 V CA -0.438 61.847 62.300 -0.025 0.000 0.834 24 V CB 0.819 32.626 31.823 -0.026 0.000 1.009 24 V HN 0.776 nan 8.190 nan 0.000 0.428 25 I N 4.937 125.487 120.570 -0.033 0.000 2.322 25 I HA 0.658 4.832 4.170 0.008 0.000 0.292 25 I C 0.490 176.592 176.117 -0.024 0.000 1.060 25 I CA 0.652 61.931 61.300 -0.035 0.000 1.309 25 I CB 0.870 38.841 38.000 -0.048 0.000 1.415 25 I HN 0.744 nan 8.210 nan 0.000 0.492 26 A N 4.582 127.393 122.820 -0.016 0.000 2.582 26 A HA 0.413 4.738 4.320 0.008 0.000 0.297 26 A C -1.182 176.405 177.584 0.004 0.000 1.059 26 A CA -0.693 51.356 52.037 0.019 0.000 0.705 26 A CB 0.578 19.594 19.000 0.027 0.000 1.279 26 A HN 0.706 nan 8.150 nan 0.000 0.404 27 H N 1.183 120.204 119.070 -0.082 0.000 2.764 27 H HA 0.311 4.873 4.556 0.009 0.000 0.341 27 H C 1.559 176.810 175.328 -0.128 0.000 1.072 27 H CA 0.837 56.776 56.048 -0.182 0.000 1.444 27 H CB 1.195 30.699 29.762 -0.430 0.000 1.458 27 H HN 0.790 nan 8.280 nan 0.000 0.572 28 V N 1.143 120.898 119.914 -0.264 0.000 2.392 28 V HA -0.233 3.892 4.120 0.008 0.000 0.249 28 V C 1.243 177.401 176.094 0.106 0.000 1.059 28 V CA 2.014 64.276 62.300 -0.064 0.000 1.051 28 V CB -0.251 31.506 31.823 -0.110 0.000 0.658 28 V HN 0.766 nan 8.190 nan 0.000 0.455 29 D N -0.427 120.163 120.400 0.317 0.000 2.338 29 D HA 0.024 4.668 4.640 0.008 0.000 0.239 29 D C 0.848 177.304 176.300 0.260 0.000 1.095 29 D CA 0.722 54.859 54.000 0.228 0.000 0.888 29 D CB -0.471 40.429 40.800 0.166 0.000 0.899 29 D HN 0.736 nan 8.370 nan 0.000 0.525 30 H N -1.101 118.041 119.070 0.120 0.000 2.505 30 H HA 0.288 4.849 4.556 0.008 0.000 0.260 30 H C 1.098 176.429 175.328 0.006 0.000 1.168 30 H CA -0.380 55.691 56.048 0.038 0.000 0.945 30 H CB 0.731 30.513 29.762 0.032 0.000 1.800 30 H HN 0.075 nan 8.280 nan 0.000 0.586 31 G N 2.105 110.976 108.800 0.119 0.000 2.203 31 G HA2 -0.428 3.536 3.960 0.008 0.000 0.263 31 G HA3 -0.428 3.536 3.960 0.008 0.000 0.263 31 G C 1.282 176.199 174.900 0.028 0.000 1.012 31 G CA 1.046 46.174 45.100 0.046 0.000 0.749 31 G HN 0.535 nan 8.290 nan 0.000 0.512 32 K N 0.217 120.644 120.400 0.044 0.000 2.034 32 K HA -0.155 4.170 4.320 0.008 0.000 0.214 32 K C 2.612 179.211 176.600 -0.002 0.000 1.051 32 K CA 2.183 58.479 56.287 0.014 0.000 0.931 32 K CB -0.402 32.101 32.500 0.005 0.000 0.715 32 K HN 0.367 nan 8.250 nan 0.000 0.446 33 S N 0.055 115.755 115.700 0.001 0.000 2.368 33 S HA -0.104 4.371 4.470 0.008 0.000 0.224 33 S C 1.892 176.491 174.600 -0.001 0.000 1.029 33 S CA 1.721 59.918 58.200 -0.004 0.000 0.988 33 S CB -0.375 62.824 63.200 -0.002 0.000 0.838 33 S HN 0.490 nan 8.310 nan 0.000 0.462 34 T N 3.101 117.658 114.554 0.005 0.000 2.643 34 T HA -0.004 4.350 4.350 0.008 0.000 0.264 34 T C 1.814 176.511 174.700 -0.005 0.000 1.045 34 T CA 1.069 63.172 62.100 0.005 0.000 1.155 34 T CB -0.583 68.289 68.868 0.007 0.000 0.863 34 T HN 0.205 nan 8.240 nan 0.000 0.420 35 L N 1.137 122.349 121.223 -0.019 0.000 1.971 35 L HA -0.196 4.149 4.340 0.008 0.000 0.215 35 L C 3.102 179.959 176.870 -0.021 0.000 1.072 35 L CA 1.933 56.754 54.840 -0.032 0.000 0.758 35 L CB -1.421 40.607 42.059 -0.052 0.000 0.889 35 L HN 0.477 nan 8.230 nan 0.000 0.433 36 T N -2.796 111.747 114.554 -0.018 0.000 2.624 36 T HA -0.292 4.063 4.350 0.008 0.000 0.268 36 T C 1.511 176.209 174.700 -0.003 0.000 1.041 36 T CA 1.707 63.799 62.100 -0.013 0.000 1.159 36 T CB -0.699 68.160 68.868 -0.014 0.000 0.863 36 T HN 0.297 nan 8.240 nan 0.000 0.434 37 D N 1.026 121.425 120.400 -0.000 0.000 2.126 37 D HA -0.140 4.505 4.640 0.008 0.000 0.190 37 D C 2.438 178.747 176.300 0.015 0.000 1.001 37 D CA 1.738 55.743 54.000 0.008 0.000 0.841 37 D CB -0.701 40.106 40.800 0.011 0.000 0.949 37 D HN 0.448 nan 8.370 nan 0.000 0.446 38 S N -0.239 115.469 115.700 0.014 0.000 2.392 38 S HA -0.188 4.287 4.470 0.008 0.000 0.232 38 S C 2.087 176.699 174.600 0.021 0.000 1.041 38 S CA 0.882 59.094 58.200 0.020 0.000 1.026 38 S CB -0.209 63.000 63.200 0.015 0.000 0.845 38 S HN 0.097 nan 8.310 nan 0.000 0.465 39 L N 0.702 121.932 121.223 0.013 0.000 2.093 39 L HA -0.008 4.337 4.340 0.008 0.000 0.208 39 L C 2.415 179.305 176.870 0.033 0.000 1.085 39 L CA 0.962 55.813 54.840 0.018 0.000 0.755 39 L CB -0.619 41.445 42.059 0.009 0.000 0.904 39 L HN 0.182 nan 8.230 nan 0.000 0.435 40 V N -0.833 119.100 119.914 0.031 0.000 2.307 40 V HA -0.296 3.828 4.120 0.008 0.000 0.245 40 V C 2.328 178.448 176.094 0.044 0.000 1.045 40 V CA 1.735 64.059 62.300 0.040 0.000 1.024 40 V CB -0.601 31.241 31.823 0.030 0.000 0.651 40 V HN 0.541 nan 8.190 nan 0.000 0.449 41 Q N -0.431 119.391 119.800 0.037 0.000 2.541 41 Q HA -0.192 4.153 4.340 0.008 0.000 0.215 41 Q C 2.050 178.075 176.000 0.042 0.000 0.977 41 Q CA 1.033 56.859 55.803 0.038 0.000 0.934 41 Q CB 0.158 28.917 28.738 0.036 0.000 0.988 41 Q HN 0.517 nan 8.270 nan 0.000 0.521 42 R N -1.052 119.475 120.500 0.046 0.000 2.197 42 R HA 0.257 4.601 4.340 0.008 0.000 0.188 42 R C 0.726 177.066 176.300 0.067 0.000 1.015 42 R CA 1.317 57.447 56.100 0.050 0.000 1.132 42 R CB -0.208 30.117 30.300 0.042 0.000 1.134 42 R HN 0.040 nan 8.270 nan 0.000 0.560 43 A N 0.112 122.978 122.820 0.077 0.000 2.564 43 A HA 0.478 4.803 4.320 0.008 0.000 0.279 43 A C 0.490 178.159 177.584 0.141 0.000 1.232 43 A CA -0.041 52.068 52.037 0.120 0.000 0.950 43 A CB 0.020 19.082 19.000 0.103 0.000 1.138 43 A HN 0.332 nan 8.150 nan 0.000 0.526 44 G N 0.601 109.463 108.800 0.103 0.000 2.313 44 G HA2 0.401 4.365 3.960 0.008 0.000 0.250 44 G HA3 0.401 4.365 3.960 0.008 0.000 0.250 44 G C -0.050 174.923 174.900 0.123 0.000 1.281 44 G CA 0.010 45.173 45.100 0.104 0.000 0.917 44 G HN 0.392 nan 8.290 nan 0.000 0.501 45 I N 2.177 122.844 120.570 0.161 0.000 2.371 45 I HA 0.213 4.388 4.170 0.008 0.000 0.290 45 I C -0.113 176.091 176.117 0.146 0.000 1.028 45 I CA -0.397 61.017 61.300 0.190 0.000 1.345 45 I CB 1.227 39.397 38.000 0.285 0.000 1.407 45 I HN 0.216 nan 8.210 nan 0.000 0.501 46 I N 5.484 126.109 120.570 0.092 0.000 2.603 46 I HA 0.259 4.434 4.170 0.008 0.000 0.300 46 I C 0.172 176.328 176.117 0.066 0.000 1.017 46 I CA -0.104 61.245 61.300 0.082 0.000 1.098 46 I CB 2.113 40.133 38.000 0.033 0.000 1.279 46 I HN 0.597 nan 8.210 nan 0.000 0.437 47 S N 5.548 121.290 115.700 0.071 0.000 2.565 47 S HA 0.814 5.288 4.470 0.008 0.000 0.274 47 S C 0.171 174.772 174.600 0.002 0.000 1.309 47 S CA -0.581 57.653 58.200 0.056 0.000 1.043 47 S CB 1.189 64.424 63.200 0.058 0.000 0.939 47 S HN 0.827 nan 8.310 nan 0.000 0.504 68 I N 3.259 123.888 120.570 0.098 0.000 2.312 68 I HA 0.391 4.566 4.170 0.008 0.000 0.290 68 I C 0.532 176.718 176.117 0.115 0.000 1.008 68 I CA -0.571 60.785 61.300 0.094 0.000 1.226 68 I CB 1.271 39.361 38.000 0.149 0.000 1.371 68 I HN 0.128 nan 8.210 nan 0.000 0.468 69 T N 4.945 119.526 114.554 0.044 0.000 2.943 69 T HA 0.838 5.193 4.350 0.008 0.000 0.284 69 T C -0.223 174.411 174.700 -0.110 0.000 1.015 69 T CA -0.637 61.470 62.100 0.012 0.000 1.042 69 T CB 2.299 71.167 68.868 -0.001 0.000 1.055 69 T HN 0.590 nan 8.240 nan 0.000 0.500 70 I N -2.151 118.333 120.570 -0.143 0.000 3.264 70 I HA 0.635 4.809 4.170 0.008 0.000 0.315 70 I C -0.681 175.321 176.117 -0.190 0.000 1.154 70 I CA -1.713 59.475 61.300 -0.188 0.000 0.962 70 I CB 2.250 40.178 38.000 -0.119 0.000 1.265 70 I HN 0.629 nan 8.210 nan 0.000 0.463 71 K N 2.022 122.310 120.400 -0.186 0.000 2.316 71 K HA 0.205 4.530 4.320 0.008 0.000 0.289 71 K C 0.005 176.502 176.600 -0.172 0.000 1.070 71 K CA -0.134 56.051 56.287 -0.169 0.000 0.928 71 K CB 0.953 33.363 32.500 -0.150 0.000 1.039 71 K HN 0.709 nan 8.250 nan 0.000 0.480 72 S N 3.406 118.999 115.700 -0.178 0.000 2.887 72 S HA -0.036 4.439 4.470 0.008 0.000 0.337 72 S C 0.468 174.949 174.600 -0.199 0.000 1.209 72 S CA 0.145 58.238 58.200 -0.178 0.000 1.186 72 S CB 0.069 63.172 63.200 -0.163 0.000 0.925 72 S HN 0.737 nan 8.310 nan 0.000 0.522 73 T N 4.060 118.461 114.554 -0.255 0.000 2.978 73 T HA 0.511 4.866 4.350 0.008 0.000 0.248 73 T C 0.273 174.738 174.700 -0.391 0.000 1.018 73 T CA 0.472 62.310 62.100 -0.437 0.000 1.026 73 T CB 0.447 68.834 68.868 -0.802 0.000 1.032 73 T HN 0.775 nan 8.240 nan 0.000 0.485 74 A N 0.803 123.510 122.820 -0.188 0.000 2.574 74 A HA 0.785 5.109 4.320 0.008 0.000 0.297 74 A C -1.721 175.883 177.584 0.032 0.000 1.062 74 A CA -0.705 51.328 52.037 -0.006 0.000 0.686 74 A CB 1.167 20.306 19.000 0.233 0.000 1.285 74 A HN 0.285 nan 8.150 nan 0.000 0.403 75 I N 1.238 121.837 120.570 0.049 0.000 2.474 75 I HA 0.368 4.543 4.170 0.008 0.000 0.294 75 I C 0.051 176.220 176.117 0.086 0.000 1.005 75 I CA -0.511 60.822 61.300 0.055 0.000 1.113 75 I CB 2.333 40.353 38.000 0.034 0.000 1.289 75 I HN 0.555 nan 8.210 nan 0.000 0.436 76 S N 6.192 121.955 115.700 0.105 0.000 2.499 76 S HA 0.606 5.080 4.470 0.008 0.000 0.279 76 S C -0.537 174.151 174.600 0.146 0.000 1.219 76 S CA -0.475 57.800 58.200 0.126 0.000 1.062 76 S CB 0.914 64.199 63.200 0.142 0.000 0.978 76 S HN 0.211 nan 8.310 nan 0.000 0.489 77 L N 3.402 124.715 121.223 0.150 0.000 2.365 77 L HA 0.511 4.856 4.340 0.008 0.000 0.273 77 L C -0.859 176.155 176.870 0.240 0.000 1.000 77 L CA -0.564 54.377 54.840 0.168 0.000 0.819 77 L CB 1.261 43.381 42.059 0.101 0.000 1.284 77 L HN 0.692 nan 8.230 nan 0.000 0.418 78 Y N 2.252 122.651 120.300 0.165 0.000 2.377 78 Y HA 0.743 5.298 4.550 0.008 0.000 0.339 78 Y C -0.408 175.594 175.900 0.170 0.000 1.011 78 Y CA -0.399 57.822 58.100 0.203 0.000 1.093 78 Y CB 1.943 40.627 38.460 0.372 0.000 1.201 78 Y HN 0.566 nan 8.280 nan 0.000 0.455 79 S N 4.980 120.268 115.700 -0.687 0.000 2.572 79 S HA 0.372 4.847 4.470 0.008 0.000 0.274 79 S C -1.733 172.566 174.600 -0.502 0.000 1.150 79 S CA -0.739 57.180 58.200 -0.468 0.000 0.944 79 S CB 1.124 64.237 63.200 -0.145 0.000 1.071 79 S HN 0.851 nan 8.310 nan 0.000 0.479 80 E N 4.088 124.100 120.200 -0.314 0.000 2.207 80 E HA 0.684 5.038 4.350 0.008 0.000 0.270 80 E C -0.914 175.704 176.600 0.029 0.000 0.927 80 E CA -0.673 55.668 56.400 -0.099 0.000 0.799 80 E CB 1.112 30.810 29.700 -0.004 0.000 1.172 80 E HN 0.675 nan 8.360 nan 0.000 0.404 81 M N 0.993 120.651 119.600 0.097 0.000 2.667 81 M HA 0.343 4.828 4.480 0.008 0.000 0.286 81 M C -0.545 175.799 176.300 0.073 0.000 1.270 81 M CA -1.004 54.348 55.300 0.087 0.000 0.826 81 M CB 2.006 34.678 32.600 0.120 0.000 1.743 81 M HN 0.359 nan 8.290 nan 0.000 0.460 82 S N 0.857 116.587 115.700 0.050 0.000 2.580 82 S HA 0.092 4.567 4.470 0.008 0.000 0.274 82 S C 0.316 174.941 174.600 0.042 0.000 1.329 82 S CA -0.489 57.734 58.200 0.039 0.000 1.036 82 S CB 0.581 63.797 63.200 0.027 0.000 0.919 82 S HN 0.622 nan 8.310 nan 0.000 0.515 83 D N 1.411 121.830 120.400 0.032 0.000 2.271 83 D HA -0.153 4.492 4.640 0.008 0.000 0.207 83 D C 1.394 177.711 176.300 0.027 0.000 0.983 83 D CA 1.020 55.037 54.000 0.028 0.000 0.878 83 D CB 0.029 40.840 40.800 0.018 0.000 0.920 83 D HN 0.429 nan 8.370 nan 0.000 0.479 84 E N 0.820 121.035 120.200 0.024 0.000 2.046 84 E HA -0.110 4.245 4.350 0.008 0.000 0.190 84 E C 1.610 178.221 176.600 0.018 0.000 0.982 84 E CA 0.823 57.234 56.400 0.019 0.000 0.800 84 E CB -0.281 29.429 29.700 0.017 0.000 0.756 84 E HN 0.409 nan 8.360 nan 0.000 0.449 85 D N 0.834 121.247 120.400 0.021 0.000 2.117 85 D HA -0.104 4.540 4.640 0.008 0.000 0.197 85 D C 2.140 178.451 176.300 0.018 0.000 0.987 85 D CA 0.811 54.818 54.000 0.011 0.000 0.829 85 D CB -0.239 40.569 40.800 0.012 0.000 0.961 85 D HN -0.003 nan 8.370 nan 0.000 0.460 86 V N 1.536 121.487 119.914 0.061 0.000 2.546 86 V HA -0.261 3.864 4.120 0.008 0.000 0.254 86 V C 2.265 178.389 176.094 0.050 0.000 1.076 86 V CA 1.553 63.911 62.300 0.097 0.000 1.087 86 V CB -0.524 31.364 31.823 0.109 0.000 0.674 86 V HN 0.218 nan 8.190 nan 0.000 0.470 87 K N -0.037 120.378 120.400 0.026 0.000 2.103 87 K HA -0.115 4.210 4.320 0.008 0.000 0.204 87 K C 1.987 178.586 176.600 -0.002 0.000 1.052 87 K CA 1.185 57.481 56.287 0.014 0.000 0.945 87 K CB -0.173 32.335 32.500 0.013 0.000 0.722 87 K HN 0.558 nan 8.250 nan 0.000 0.443 88 E N 0.913 121.104 120.200 -0.016 0.000 2.401 88 E HA -0.094 4.261 4.350 0.008 0.000 0.199 88 E C 0.133 176.688 176.600 -0.074 0.000 1.023 88 E CA 0.376 56.753 56.400 -0.038 0.000 0.859 88 E CB -0.144 29.526 29.700 -0.050 0.000 0.780 88 E HN 0.317 nan 8.360 nan 0.000 0.523 89 I N 2.559 123.089 120.570 -0.066 0.000 2.406 89 I HA -0.009 4.166 4.170 0.008 0.000 0.293 89 I C 0.465 176.560 176.117 -0.037 0.000 1.101 89 I CA 0.120 61.370 61.300 -0.084 0.000 1.334 89 I CB 0.415 38.382 38.000 -0.056 0.000 1.421 89 I HN -0.204 nan 8.210 nan 0.000 0.513 90 K N 8.303 128.680 120.400 -0.039 0.000 3.000 90 K HA 0.072 4.397 4.320 0.008 0.000 0.265 90 K C -0.194 176.411 176.600 0.008 0.000 1.260 90 K CA -0.021 56.264 56.287 -0.004 0.000 1.209 90 K CB -0.358 32.148 32.500 0.009 0.000 1.484 90 K HN 0.662 nan 8.250 nan 0.000 0.283 91 Q N -0.396 119.411 119.800 0.012 0.000 2.599 91 Q HA 0.141 4.485 4.340 0.008 0.000 0.248 91 Q C -1.290 174.730 176.000 0.033 0.000 0.964 91 Q CA -1.089 54.730 55.803 0.026 0.000 1.011 91 Q CB 0.832 29.587 28.738 0.029 0.000 1.592 91 Q HN -0.145 nan 8.270 nan 0.000 0.443 92 K N 2.585 123.005 120.400 0.034 0.000 2.548 92 K HA 0.059 4.384 4.320 0.008 0.000 0.277 92 K C 0.117 176.747 176.600 0.051 0.000 1.001 92 K CA 1.448 57.756 56.287 0.034 0.000 1.102 92 K CB 0.200 32.715 32.500 0.026 0.000 0.848 92 K HN 0.901 nan 8.250 nan 0.000 0.487 93 T N -1.305 113.281 114.554 0.053 0.000 2.696 93 T HA 0.535 4.890 4.350 0.008 0.000 0.291 93 T C -1.260 173.451 174.700 0.018 0.000 1.095 93 T CA -0.943 61.201 62.100 0.074 0.000 1.026 93 T CB 2.284 71.249 68.868 0.162 0.000 1.390 93 T HN 0.433 nan 8.240 nan 0.000 0.513 94 D N -1.180 119.202 120.400 -0.029 0.000 2.301 94 D HA 0.488 5.133 4.640 0.008 0.000 0.203 94 D C -0.041 176.175 176.300 -0.139 0.000 1.300 94 D CA 1.174 55.135 54.000 -0.064 0.000 0.899 94 D CB 0.604 41.375 40.800 -0.049 0.000 1.597 94 D HN 1.388 nan 8.370 nan 0.000 0.538 95 G N 2.781 111.504 108.800 -0.127 0.000 2.661 95 G HA2 -0.146 3.819 3.960 0.008 0.000 0.685 95 G HA3 -0.146 3.819 3.960 0.008 0.000 0.685 95 G C 0.102 174.852 174.900 -0.251 0.000 1.298 95 G CA -0.364 44.636 45.100 -0.167 0.000 0.855 95 G HN 0.468 nan 8.290 nan 0.000 0.560 96 N N -0.388 118.187 118.700 -0.208 0.000 2.236 96 N HA 0.137 4.882 4.740 0.008 0.000 0.196 96 N C 0.589 175.918 175.510 -0.301 0.000 1.114 96 N CA 0.553 53.497 53.050 -0.176 0.000 0.859 96 N CB 0.664 39.133 38.487 -0.030 0.000 0.982 96 N HN 0.454 nan 8.380 nan 0.000 0.493 97 S N 0.593 116.053 115.700 -0.399 0.000 2.585 97 S HA 0.547 5.021 4.470 0.008 0.000 0.277 97 S C -0.624 173.553 174.600 -0.704 0.000 1.241 97 S CA -0.228 57.794 58.200 -0.297 0.000 1.041 97 S CB 0.741 63.978 63.200 0.063 0.000 0.987 97 S HN 0.026 nan 8.310 nan 0.000 0.512 98 F N 1.365 121.243 119.950 -0.120 0.000 2.581 98 F HA 0.507 5.040 4.527 0.009 0.000 0.311 98 F C -0.676 175.107 175.800 -0.029 0.000 1.113 98 F CA -0.915 57.036 58.000 -0.083 0.000 0.935 98 F CB 1.432 40.361 39.000 -0.119 0.000 1.232 98 F HN 0.297 nan 8.300 nan 0.000 0.445 99 L N 4.874 126.219 121.223 0.204 0.000 2.298 99 L HA 0.656 5.001 4.340 0.008 0.000 0.284 99 L C -1.064 175.878 176.870 0.120 0.000 1.013 99 L CA -0.399 54.531 54.840 0.151 0.000 0.824 99 L CB 0.720 42.830 42.059 0.085 0.000 1.221 99 L HN 0.477 nan 8.230 nan 0.000 0.418 100 I N 4.686 125.320 120.570 0.107 0.000 2.362 100 I HA 0.331 4.506 4.170 0.008 0.000 0.289 100 I C -0.525 175.636 176.117 0.072 0.000 0.994 100 I CA -0.532 60.810 61.300 0.069 0.000 1.158 100 I CB 1.358 39.385 38.000 0.046 0.000 1.315 100 I HN 0.595 nan 8.210 nan 0.000 0.451 101 N N 6.359 125.095 118.700 0.059 0.000 2.527 101 N HA 0.290 5.035 4.740 0.008 0.000 0.236 101 N C -0.795 174.758 175.510 0.072 0.000 0.999 101 N CA -0.490 52.604 53.050 0.073 0.000 0.935 101 N CB 1.041 39.568 38.487 0.068 0.000 1.132 101 N HN 0.371 nan 8.380 nan 0.000 0.511 102 L N 4.307 125.571 121.223 0.068 0.000 2.334 102 L HA 0.425 4.769 4.340 0.008 0.000 0.286 102 L C -0.769 176.136 176.870 0.059 0.000 1.108 102 L CA -0.147 54.723 54.840 0.050 0.000 0.875 102 L CB -0.313 41.766 42.059 0.032 0.000 1.246 102 L HN 0.477 nan 8.230 nan 0.000 0.439 103 I N 3.997 124.612 120.570 0.076 0.000 2.371 103 I HA 0.122 4.297 4.170 0.008 0.000 0.290 103 I C 0.391 176.521 176.117 0.022 0.000 1.028 103 I CA -0.557 60.796 61.300 0.089 0.000 1.345 103 I CB 0.885 38.992 38.000 0.178 0.000 1.407 103 I HN 0.559 nan 8.210 nan 0.000 0.501 104 D N 4.873 125.249 120.400 -0.040 0.000 2.449 104 D HA 0.127 4.772 4.640 0.008 0.000 0.236 104 D C -0.531 175.742 176.300 -0.045 0.000 1.149 104 D CA 0.573 54.535 54.000 -0.063 0.000 0.878 104 D CB 0.817 41.547 40.800 -0.116 0.000 1.198 104 D HN 0.458 nan 8.370 nan 0.000 0.446 105 S N 1.867 117.539 115.700 -0.047 0.000 2.671 105 S HA 0.669 5.144 4.470 0.008 0.000 0.299 105 S C -2.416 172.139 174.600 -0.075 0.000 1.116 105 S CA -1.171 57.009 58.200 -0.034 0.000 0.912 105 S CB 1.662 64.852 63.200 -0.016 0.000 1.130 105 S HN 0.421 nan 8.310 nan 0.000 0.501 106 P HA 0.341 nan 4.420 nan 0.000 0.275 106 P C 0.662 177.905 177.300 -0.094 0.000 1.266 106 P CA -0.370 62.632 63.100 -0.163 0.000 0.793 106 P CB 0.294 31.948 31.700 -0.076 0.000 1.074 107 G N -1.615 107.125 108.800 -0.100 0.000 2.490 107 G HA2 -0.014 3.950 3.960 0.008 0.000 0.211 107 G HA3 -0.014 3.950 3.960 0.008 0.000 0.211 107 G C 0.013 174.952 174.900 0.065 0.000 1.159 107 G CA 0.789 45.878 45.100 -0.017 0.000 0.819 107 G HN 0.515 nan 8.290 nan 0.000 0.539 108 H N -1.393 117.805 119.070 0.215 0.000 2.616 108 H HA 0.474 5.035 4.556 0.008 0.000 0.353 108 H C 1.149 176.650 175.328 0.289 0.000 1.170 108 H CA -0.676 55.499 56.048 0.212 0.000 1.212 108 H CB 2.295 32.195 29.762 0.230 0.000 1.653 108 H HN -0.165 nan 8.280 nan 0.000 0.537 109 V N 1.663 121.610 119.914 0.056 0.000 2.667 109 V HA -0.193 3.932 4.120 0.008 0.000 0.252 109 V C 1.342 177.587 176.094 0.251 0.000 1.065 109 V CA 1.651 64.070 62.300 0.198 0.000 1.083 109 V CB -0.339 31.555 31.823 0.119 0.000 0.692 109 V HN 0.806 nan 8.190 nan 0.000 0.468 110 D N 0.665 121.209 120.400 0.240 0.000 2.239 110 D HA -0.202 4.443 4.640 0.008 0.000 0.202 110 D C 1.509 177.713 176.300 -0.160 0.000 0.993 110 D CA 1.356 55.329 54.000 -0.045 0.000 0.874 110 D CB -0.391 40.286 40.800 -0.205 0.000 0.922 110 D HN 0.510 nan 8.370 nan 0.000 0.464 111 F N 1.476 121.487 119.950 0.102 0.000 2.772 111 F HA -0.049 4.482 4.527 0.007 0.000 0.301 111 F C 1.955 177.802 175.800 0.078 0.000 1.250 111 F CA -0.062 57.991 58.000 0.089 0.000 1.441 111 F CB -0.714 38.353 39.000 0.112 0.000 1.112 111 F HN -0.192 nan 8.300 nan 0.000 0.563 112 S N 0.263 116.016 115.700 0.090 0.000 2.426 112 S HA -0.432 4.043 4.470 0.008 0.000 0.332 112 S C 2.249 176.910 174.600 0.101 0.000 1.213 112 S CA 2.393 60.555 58.200 -0.063 0.000 1.436 112 S CB -1.227 61.677 63.200 -0.494 0.000 1.351 112 S HN 0.578 nan 8.310 nan 0.000 0.474 113 S N 2.405 118.113 115.700 0.014 0.000 2.380 113 S HA -0.256 4.219 4.470 0.008 0.000 0.229 113 S C 1.859 176.563 174.600 0.174 0.000 1.043 113 S CA 1.732 59.923 58.200 -0.014 0.000 1.038 113 S CB -0.670 62.446 63.200 -0.140 0.000 0.872 113 S HN 0.907 nan 8.310 nan 0.000 0.456 114 E N 0.974 121.363 120.200 0.314 0.000 2.442 114 E HA 0.063 4.418 4.350 0.008 0.000 0.195 114 E C 1.636 178.385 176.600 0.248 0.000 1.030 114 E CA 0.397 56.999 56.400 0.337 0.000 0.869 114 E CB -0.253 29.628 29.700 0.302 0.000 0.857 114 E HN 0.359 nan 8.360 nan 0.000 0.505 115 V N 1.635 121.703 119.914 0.256 0.000 2.323 115 V HA -0.215 3.909 4.120 0.008 0.000 0.244 115 V C 2.287 178.493 176.094 0.187 0.000 1.041 115 V CA 2.207 64.638 62.300 0.218 0.000 1.025 115 V CB -0.686 31.314 31.823 0.294 0.000 0.656 115 V HN 0.386 nan 8.190 nan 0.000 0.451 116 T N 0.579 115.263 114.554 0.217 0.000 2.803 116 T HA -0.174 4.181 4.350 0.008 0.000 0.269 116 T C 2.043 176.845 174.700 0.170 0.000 1.052 116 T CA 1.510 63.710 62.100 0.166 0.000 1.136 116 T CB -0.424 68.538 68.868 0.155 0.000 0.864 116 T HN 0.562 nan 8.240 nan 0.000 0.467 117 A N 1.636 124.590 122.820 0.223 0.000 1.865 117 A HA 0.107 4.431 4.320 0.008 0.000 0.217 117 A C 2.687 180.430 177.584 0.265 0.000 1.191 117 A CA 1.933 54.145 52.037 0.292 0.000 0.623 117 A CB -1.244 17.971 19.000 0.359 0.000 0.826 117 A HN 0.518 nan 8.150 nan 0.000 0.444 118 A N -0.388 122.559 122.820 0.212 0.000 1.877 118 A HA -0.021 4.304 4.320 0.008 0.000 0.216 118 A C 2.209 179.883 177.584 0.150 0.000 1.186 118 A CA 1.473 53.621 52.037 0.186 0.000 0.620 118 A CB -0.677 18.397 19.000 0.123 0.000 0.822 118 A HN 0.471 nan 8.150 nan 0.000 0.443 119 L N -1.151 120.139 121.223 0.113 0.000 1.990 119 L HA -0.237 4.107 4.340 0.008 0.000 0.213 119 L C 2.779 179.698 176.870 0.081 0.000 1.072 119 L CA 2.006 56.891 54.840 0.075 0.000 0.755 119 L CB -0.508 41.576 42.059 0.043 0.000 0.889 119 L HN 0.438 nan 8.230 nan 0.000 0.432 120 R N 0.092 120.644 120.500 0.087 0.000 2.170 120 R HA -0.166 4.178 4.340 0.008 0.000 0.242 120 R C 1.791 178.137 176.300 0.077 0.000 1.145 120 R CA 1.695 57.819 56.100 0.040 0.000 0.984 120 R CB -0.095 30.204 30.300 -0.001 0.000 0.869 120 R HN 0.473 nan 8.270 nan 0.000 0.455 121 V N -2.611 117.386 119.914 0.139 0.000 3.621 121 V HA 0.190 4.315 4.120 0.008 0.000 0.285 121 V C 0.607 176.751 176.094 0.083 0.000 1.346 121 V CA 0.270 62.655 62.300 0.142 0.000 1.104 121 V CB -0.088 31.833 31.823 0.164 0.000 0.913 121 V HN 0.276 nan 8.190 nan 0.000 0.432 122 T N -2.984 111.623 114.554 0.088 0.000 2.944 122 T HA 0.557 4.912 4.350 0.008 0.000 0.284 122 T C 0.135 174.868 174.700 0.054 0.000 1.010 122 T CA -0.060 62.075 62.100 0.059 0.000 1.025 122 T CB 2.242 71.145 68.868 0.058 0.000 1.079 122 T HN 0.172 nan 8.240 nan 0.000 0.516 123 D N 0.288 120.711 120.400 0.038 0.000 2.531 123 D HA 0.253 4.898 4.640 0.008 0.000 0.263 123 D C 1.097 177.428 176.300 0.052 0.000 1.057 123 D CA 0.306 54.333 54.000 0.045 0.000 0.909 123 D CB 0.081 40.894 40.800 0.021 0.000 1.236 123 D HN 0.786 nan 8.370 nan 0.000 0.494 124 G N -0.255 108.563 108.800 0.030 0.000 2.601 124 G HA2 0.674 4.639 3.960 0.008 0.000 0.317 124 G HA3 0.674 4.639 3.960 0.008 0.000 0.317 124 G C -1.212 173.690 174.900 0.003 0.000 1.246 124 G CA -0.388 44.721 45.100 0.016 0.000 1.012 124 G HN 0.198 nan 8.290 nan 0.000 0.494 125 A N -0.419 122.391 122.820 -0.016 0.000 2.512 125 A HA 0.509 4.834 4.320 0.008 0.000 0.294 125 A C -1.466 176.087 177.584 -0.052 0.000 1.054 125 A CA -0.526 51.494 52.037 -0.029 0.000 0.756 125 A CB 1.577 20.559 19.000 -0.030 0.000 1.293 125 A HN 1.260 nan 8.150 nan 0.000 0.395 126 L N 3.982 125.173 121.223 -0.054 0.000 2.315 126 L HA 0.514 4.859 4.340 0.008 0.000 0.278 126 L C -0.613 176.210 176.870 -0.079 0.000 1.088 126 L CA -0.125 54.670 54.840 -0.075 0.000 0.899 126 L CB 0.589 42.606 42.059 -0.070 0.000 1.277 126 L HN 0.433 nan 8.230 nan 0.000 0.431 127 V N 5.686 125.544 119.914 -0.093 0.000 2.470 127 V HA 0.196 4.321 4.120 0.008 0.000 0.276 127 V C 0.304 176.341 176.094 -0.096 0.000 1.040 127 V CA -0.448 61.801 62.300 -0.085 0.000 1.008 127 V CB 1.051 32.820 31.823 -0.091 0.000 0.990 127 V HN 0.416 nan 8.190 nan 0.000 0.477 128 V N 6.620 126.497 119.914 -0.061 0.000 2.383 128 V HA 0.412 4.537 4.120 0.008 0.000 0.275 128 V C 0.128 176.210 176.094 -0.019 0.000 1.036 128 V CA -0.286 61.978 62.300 -0.060 0.000 0.889 128 V CB 1.547 33.352 31.823 -0.029 0.000 0.985 128 V HN 0.624 nan 8.190 nan 0.000 0.459 129 V N 3.653 123.521 119.914 -0.078 0.000 2.815 129 V HA 0.447 4.572 4.120 0.008 0.000 0.314 129 V C -0.428 175.569 176.094 -0.162 0.000 1.064 129 V CA -0.746 61.513 62.300 -0.069 0.000 0.952 129 V CB 2.382 34.159 31.823 -0.076 0.000 1.020 129 V HN 0.962 nan 8.190 nan 0.000 0.439 130 D N 1.002 121.247 120.400 -0.257 0.000 2.175 130 D HA 0.331 4.976 4.640 0.008 0.000 0.248 130 D C 1.024 177.251 176.300 -0.121 0.000 1.047 130 D CA -0.034 53.748 54.000 -0.363 0.000 0.883 130 D CB 2.047 42.390 40.800 -0.762 0.000 1.180 130 D HN 0.549 nan 8.370 nan 0.000 0.438 131 T N 2.797 117.329 114.554 -0.038 0.000 2.674 131 T HA -0.101 4.254 4.350 0.008 0.000 0.265 131 T C 1.868 176.610 174.700 0.070 0.000 1.039 131 T CA 0.955 63.128 62.100 0.120 0.000 1.150 131 T CB -0.196 68.796 68.868 0.207 0.000 0.864 131 T HN 0.431 nan 8.240 nan 0.000 0.427 132 I N 0.698 121.279 120.570 0.017 0.000 2.162 132 I HA -0.109 4.065 4.170 0.008 0.000 0.238 132 I C 2.567 178.687 176.117 0.004 0.000 1.076 132 I CA 1.471 62.779 61.300 0.013 0.000 1.353 132 I CB -0.358 37.647 38.000 0.008 0.000 1.063 132 I HN 0.269 nan 8.210 nan 0.000 0.408 133 E N 0.541 120.728 120.200 -0.022 0.000 2.208 133 E HA 0.056 4.410 4.350 0.008 0.000 0.193 133 E C 1.248 177.851 176.600 0.006 0.000 0.988 133 E CA 0.640 57.039 56.400 -0.002 0.000 0.828 133 E CB -0.063 29.649 29.700 0.020 0.000 0.763 133 E HN 0.604 nan 8.360 nan 0.000 0.478 134 G N 0.388 109.179 108.800 -0.016 0.000 2.509 134 G HA2 -0.316 3.649 3.960 0.008 0.000 0.259 134 G HA3 -0.316 3.649 3.960 0.008 0.000 0.259 134 G C -0.200 174.708 174.900 0.014 0.000 1.169 134 G CA -0.255 44.848 45.100 0.006 0.000 0.953 134 G HN 0.136 nan 8.290 nan 0.000 0.563 135 V N 1.802 121.731 119.914 0.025 0.000 2.368 135 V HA 0.421 4.545 4.120 0.008 0.000 0.266 135 V C 1.504 177.625 176.094 0.045 0.000 1.045 135 V CA -0.129 62.191 62.300 0.033 0.000 0.899 135 V CB -0.174 31.656 31.823 0.012 0.000 1.006 135 V HN 1.365 nan 8.190 nan 0.000 0.470 136 C N 4.976 124.320 119.300 0.073 0.000 2.595 136 C HA 0.496 4.961 4.460 0.008 0.000 0.384 136 C C 1.912 176.913 174.990 0.018 0.000 1.289 136 C CA -0.366 58.675 59.018 0.040 0.000 2.372 136 C CB 0.596 28.337 27.740 0.002 0.000 2.593 136 C HN 0.646 nan 8.230 nan 0.000 0.639 137 V N 2.006 121.925 119.914 0.008 0.000 2.250 137 V HA -0.303 3.822 4.120 0.008 0.000 0.250 137 V C 2.801 178.895 176.094 -0.002 0.000 1.060 137 V CA 2.748 65.051 62.300 0.005 0.000 1.030 137 V CB -1.530 30.298 31.823 0.008 0.000 0.643 137 V HN 1.078 nan 8.190 nan 0.000 0.445 138 Q N 0.178 119.985 119.800 0.011 0.000 2.045 138 Q HA -0.270 4.075 4.340 0.008 0.000 0.206 138 Q C 2.193 178.178 176.000 -0.024 0.000 0.991 138 Q CA 2.855 58.657 55.803 -0.001 0.000 0.851 138 Q CB -0.511 28.236 28.738 0.015 0.000 0.911 138 Q HN 0.626 nan 8.270 nan 0.000 0.418 139 T N 0.846 115.400 114.554 0.001 0.000 2.803 139 T HA -0.192 4.163 4.350 0.008 0.000 0.269 139 T C 1.512 176.184 174.700 -0.048 0.000 1.052 139 T CA 1.465 63.556 62.100 -0.015 0.000 1.136 139 T CB -0.222 68.662 68.868 0.027 0.000 0.864 139 T HN 0.465 nan 8.240 nan 0.000 0.467 140 E N 0.317 120.494 120.200 -0.040 0.000 2.072 140 E HA -0.142 4.213 4.350 0.008 0.000 0.191 140 E C 2.114 178.643 176.600 -0.117 0.000 0.985 140 E CA 1.285 57.651 56.400 -0.056 0.000 0.801 140 E CB -0.007 29.677 29.700 -0.027 0.000 0.750 140 E HN 0.385 nan 8.360 nan 0.000 0.452 141 T N 0.520 114.998 114.554 -0.127 0.000 2.701 141 T HA -0.123 4.232 4.350 0.008 0.000 0.263 141 T C 1.970 176.475 174.700 -0.326 0.000 1.040 141 T CA 1.443 63.416 62.100 -0.211 0.000 1.147 141 T CB -0.270 68.515 68.868 -0.139 0.000 0.865 141 T HN 0.029 nan 8.240 nan 0.000 0.426 142 V N 1.862 121.613 119.914 -0.272 0.000 2.324 142 V HA -0.167 3.958 4.120 0.008 0.000 0.250 142 V C 2.452 178.402 176.094 -0.240 0.000 1.060 142 V CA 1.450 63.574 62.300 -0.293 0.000 1.042 142 V CB -0.846 30.880 31.823 -0.161 0.000 0.650 142 V HN 0.302 nan 8.190 nan 0.000 0.450 143 L N 0.133 121.250 121.223 -0.176 0.000 2.013 143 L HA -0.200 4.145 4.340 0.008 0.000 0.212 143 L C 2.609 179.375 176.870 -0.174 0.000 1.073 143 L CA 1.997 56.753 54.840 -0.140 0.000 0.753 143 L CB -0.746 41.254 42.059 -0.100 0.000 0.890 143 L HN 0.193 nan 8.230 nan 0.000 0.432 144 R N -1.096 119.250 120.500 -0.257 0.000 2.097 144 R HA -0.215 4.130 4.340 0.008 0.000 0.236 144 R C 2.250 178.383 176.300 -0.279 0.000 1.135 144 R CA 1.874 57.758 56.100 -0.362 0.000 0.934 144 R CB -0.518 29.414 30.300 -0.613 0.000 0.846 144 R HN 0.502 nan 8.270 nan 0.000 0.431 145 Q N -0.049 119.554 119.800 -0.329 0.000 2.077 145 Q HA -0.182 4.163 4.340 0.008 0.000 0.206 145 Q C 2.161 178.066 176.000 -0.157 0.000 0.989 145 Q CA 1.966 57.601 55.803 -0.279 0.000 0.853 145 Q CB -0.528 27.943 28.738 -0.445 0.000 0.907 145 Q HN 0.389 nan 8.270 nan 0.000 0.418 146 A N 0.871 123.604 122.820 -0.144 0.000 1.908 146 A HA -0.167 4.158 4.320 0.008 0.000 0.218 146 A C 2.299 179.853 177.584 -0.050 0.000 1.181 146 A CA 1.373 53.364 52.037 -0.076 0.000 0.627 146 A CB -0.811 18.146 19.000 -0.071 0.000 0.818 146 A HN 0.342 nan 8.150 nan 0.000 0.445 147 L N -0.776 120.410 121.223 -0.062 0.000 2.131 147 L HA -0.129 4.215 4.340 0.008 0.000 0.210 147 L C 2.750 179.613 176.870 -0.011 0.000 1.092 147 L CA 0.955 55.780 54.840 -0.025 0.000 0.759 147 L CB -0.719 41.339 42.059 -0.001 0.000 0.903 147 L HN 0.508 nan 8.230 nan 0.000 0.435 148 G N -0.749 108.031 108.800 -0.033 0.000 2.443 148 G HA2 -0.177 3.788 3.960 0.008 0.000 0.219 148 G HA3 -0.177 3.788 3.960 0.008 0.000 0.219 148 G C 1.362 176.262 174.900 0.000 0.000 1.131 148 G CA 0.282 45.373 45.100 -0.016 0.000 0.775 148 G HN 0.292 nan 8.290 nan 0.000 0.547 149 E N 0.204 120.405 120.200 0.001 0.000 2.479 149 E HA 0.084 4.439 4.350 0.008 0.000 0.193 149 E C 0.362 176.997 176.600 0.058 0.000 1.049 149 E CA -0.251 56.160 56.400 0.018 0.000 0.870 149 E CB 0.161 29.868 29.700 0.012 0.000 0.944 149 E HN 0.384 nan 8.360 nan 0.000 0.492 150 R N 0.841 121.378 120.500 0.061 0.000 3.184 150 R HA -0.125 4.220 4.340 0.008 0.000 0.257 150 R C -0.326 176.064 176.300 0.149 0.000 0.999 150 R CA 0.365 56.531 56.100 0.109 0.000 0.670 150 R CB -1.986 28.451 30.300 0.227 0.000 1.197 150 R HN 0.110 nan 8.270 nan 0.000 0.419 151 I N 0.990 121.602 120.570 0.069 0.000 2.359 151 I HA 0.223 4.398 4.170 0.008 0.000 0.294 151 I C 0.962 177.096 176.117 0.029 0.000 0.987 151 I CA -0.456 60.880 61.300 0.060 0.000 1.225 151 I CB 1.515 39.527 38.000 0.021 0.000 1.366 151 I HN 0.058 nan 8.210 nan 0.000 0.466 152 K N 7.979 128.403 120.400 0.040 0.000 2.297 152 K HA 0.358 4.683 4.320 0.008 0.000 0.286 152 K C -2.438 174.143 176.600 -0.032 0.000 1.053 152 K CA -1.272 55.013 56.287 -0.003 0.000 0.940 152 K CB 1.193 33.705 32.500 0.021 0.000 1.019 152 K HN 0.334 nan 8.250 nan 0.000 0.475 153 P HA 0.285 nan 4.420 nan 0.000 0.287 153 P C -1.108 176.120 177.300 -0.120 0.000 1.279 153 P CA -0.660 62.387 63.100 -0.089 0.000 0.867 153 P CB 1.742 33.381 31.700 -0.101 0.000 1.127 154 V N 1.920 121.756 119.914 -0.130 0.000 2.612 154 V HA 0.200 4.325 4.120 0.008 0.000 0.301 154 V C 0.138 176.119 176.094 -0.188 0.000 1.059 154 V CA -0.652 61.547 62.300 -0.168 0.000 0.886 154 V CB 2.315 34.061 31.823 -0.128 0.000 1.007 154 V HN 0.278 nan 8.190 nan 0.000 0.426 155 V N 5.357 125.124 119.914 -0.245 0.000 2.973 155 V HA 0.681 4.805 4.120 0.008 0.000 0.314 155 V C -0.382 175.508 176.094 -0.340 0.000 1.066 155 V CA -0.532 61.608 62.300 -0.267 0.000 1.021 155 V CB 2.109 33.764 31.823 -0.279 0.000 1.076 155 V HN 0.568 nan 8.190 nan 0.000 0.462 156 V N 3.545 123.261 119.914 -0.331 0.000 2.653 156 V HA 0.403 4.528 4.120 0.008 0.000 0.298 156 V C -0.749 175.130 176.094 -0.357 0.000 1.097 156 V CA -0.254 61.813 62.300 -0.388 0.000 0.908 156 V CB 1.789 33.444 31.823 -0.281 0.000 1.024 156 V HN 0.679 nan 8.190 nan 0.000 0.435 157 I N 4.744 125.035 120.570 -0.465 0.000 2.291 157 I HA 0.323 4.498 4.170 0.008 0.000 0.292 157 I C 0.401 176.365 176.117 -0.255 0.000 1.064 157 I CA 0.203 61.323 61.300 -0.300 0.000 1.269 157 I CB 0.802 38.646 38.000 -0.260 0.000 1.418 157 I HN 0.592 nan 8.210 nan 0.000 0.485 158 N N 4.708 123.282 118.700 -0.210 0.000 2.447 158 N HA 0.322 5.066 4.740 0.008 0.000 0.271 158 N C -0.468 174.940 175.510 -0.171 0.000 1.226 158 N CA -0.479 52.442 53.050 -0.216 0.000 0.980 158 N CB 0.655 39.034 38.487 -0.181 0.000 1.206 158 N HN 0.338 nan 8.380 nan 0.000 0.558 159 K N -0.578 119.711 120.400 -0.186 0.000 3.257 159 K HA -0.147 4.178 4.320 0.008 0.000 0.270 159 K C 0.326 176.901 176.600 -0.043 0.000 0.984 159 K CA 0.115 56.327 56.287 -0.126 0.000 0.739 159 K CB -1.967 30.469 32.500 -0.106 0.000 1.351 159 K HN 0.228 nan 8.250 nan 0.000 0.463 160 V N 0.272 120.163 119.914 -0.038 0.000 2.488 160 V HA -0.248 3.877 4.120 0.008 0.000 0.246 160 V C 2.307 178.510 176.094 0.181 0.000 1.046 160 V CA 2.232 64.629 62.300 0.160 0.000 1.053 160 V CB -0.384 31.607 31.823 0.279 0.000 0.679 160 V HN 0.689 nan 8.190 nan 0.000 0.458 161 D N 0.513 121.014 120.400 0.167 0.000 2.133 161 D HA -0.314 4.330 4.640 0.008 0.000 0.192 161 D C 2.180 178.574 176.300 0.156 0.000 1.001 161 D CA 1.585 55.736 54.000 0.251 0.000 0.844 161 D CB -0.477 40.359 40.800 0.060 0.000 0.944 161 D HN 0.225 nan 8.370 nan 0.000 0.447 162 R N 0.326 120.872 120.500 0.076 0.000 2.159 162 R HA -0.105 4.240 4.340 0.008 0.000 0.237 162 R C 2.123 178.464 176.300 0.069 0.000 1.131 162 R CA 1.233 57.371 56.100 0.064 0.000 0.982 162 R CB -0.357 29.962 30.300 0.032 0.000 0.868 162 R HN 0.418 nan 8.270 nan 0.000 0.453 163 A N 0.686 123.553 122.820 0.078 0.000 1.897 163 A HA -0.058 4.266 4.320 0.008 0.000 0.215 163 A C 2.185 179.791 177.584 0.037 0.000 1.181 163 A CA 0.731 52.806 52.037 0.063 0.000 0.620 163 A CB -0.260 18.792 19.000 0.085 0.000 0.821 163 A HN 0.219 nan 8.150 nan 0.000 0.443 164 L N -1.124 120.107 121.223 0.013 0.000 1.982 164 L HA -0.093 4.252 4.340 0.008 0.000 0.206 164 L C 2.444 179.336 176.870 0.037 0.000 1.078 164 L CA 0.682 55.481 54.840 -0.068 0.000 0.749 164 L CB -1.006 40.915 42.059 -0.229 0.000 0.894 164 L HN 0.231 nan 8.230 nan 0.000 0.436 165 L N 0.127 121.429 121.223 0.131 0.000 1.990 165 L HA -0.236 4.108 4.340 0.008 0.000 0.213 165 L C 2.542 179.459 176.870 0.079 0.000 1.072 165 L CA 1.796 56.712 54.840 0.127 0.000 0.755 165 L CB -0.837 41.322 42.059 0.167 0.000 0.889 165 L HN 0.278 nan 8.230 nan 0.000 0.432 166 E N -0.893 119.351 120.200 0.072 0.000 2.011 166 E HA -0.136 4.219 4.350 0.008 0.000 0.191 166 E C 2.054 178.681 176.600 0.046 0.000 0.979 166 E CA 0.779 57.213 56.400 0.056 0.000 0.822 166 E CB -0.146 29.585 29.700 0.052 0.000 0.782 166 E HN 0.195 nan 8.360 nan 0.000 0.459 167 L N 1.003 122.251 121.223 0.043 0.000 2.376 167 L HA -0.072 4.273 4.340 0.008 0.000 0.219 167 L C 0.559 177.454 176.870 0.040 0.000 1.133 167 L CA 0.999 55.862 54.840 0.039 0.000 0.816 167 L CB -0.542 41.540 42.059 0.037 0.000 0.933 167 L HN 0.188 nan 8.230 nan 0.000 0.449 168 Q N -0.571 119.251 119.800 0.037 0.000 2.435 168 Q HA -0.208 4.137 4.340 0.008 0.000 0.312 168 Q C -0.018 176.021 176.000 0.064 0.000 1.333 168 Q CA 0.196 56.021 55.803 0.037 0.000 0.883 168 Q CB -1.683 27.080 28.738 0.041 0.000 1.170 168 Q HN 0.289 nan 8.270 nan 0.000 0.443 169 V N 1.026 120.984 119.914 0.074 0.000 2.924 169 V HA 0.271 4.396 4.120 0.008 0.000 0.305 169 V C 0.876 177.105 176.094 0.225 0.000 1.073 169 V CA 0.609 62.974 62.300 0.109 0.000 1.098 169 V CB 1.714 33.587 31.823 0.083 0.000 1.000 169 V HN 0.554 nan 8.190 nan 0.000 0.484 170 S N 5.335 121.131 115.700 0.160 0.000 2.614 170 S HA 0.280 4.755 4.470 0.008 0.000 0.265 170 S C 0.947 175.573 174.600 0.043 0.000 1.303 170 S CA -0.211 58.070 58.200 0.135 0.000 1.000 170 S CB 0.811 64.029 63.200 0.030 0.000 0.935 170 S HN 0.748 nan 8.310 nan 0.000 0.551 171 K N 0.516 120.741 120.400 -0.293 0.000 2.044 171 K HA -0.188 4.136 4.320 0.008 0.000 0.210 171 K C 2.103 178.596 176.600 -0.178 0.000 1.049 171 K CA 1.921 57.881 56.287 -0.545 0.000 0.927 171 K CB -0.331 31.762 32.500 -0.678 0.000 0.713 171 K HN 0.761 nan 8.250 nan 0.000 0.443 172 E N 1.397 121.528 120.200 -0.115 0.000 2.106 172 E HA -0.162 4.192 4.350 0.008 0.000 0.192 172 E C 1.416 178.036 176.600 0.033 0.000 0.984 172 E CA 1.448 57.831 56.400 -0.028 0.000 0.806 172 E CB -0.047 29.628 29.700 -0.041 0.000 0.750 172 E HN 0.168 nan 8.360 nan 0.000 0.458 173 D N -0.171 120.234 120.400 0.007 0.000 2.144 173 D HA -0.135 4.510 4.640 0.008 0.000 0.200 173 D C 1.885 178.158 176.300 -0.045 0.000 0.978 173 D CA 0.713 54.714 54.000 0.002 0.000 0.833 173 D CB -0.224 40.584 40.800 0.013 0.000 0.961 173 D HN 0.227 nan 8.370 nan 0.000 0.470 174 L N 0.052 121.241 121.223 -0.056 0.000 2.141 174 L HA -0.139 4.205 4.340 0.008 0.000 0.209 174 L C 2.155 178.736 176.870 -0.481 0.000 1.094 174 L CA 1.333 56.027 54.840 -0.244 0.000 0.763 174 L CB -0.688 41.320 42.059 -0.085 0.000 0.908 174 L HN -0.013 nan 8.230 nan 0.000 0.437 175 Y N -0.083 120.056 120.300 -0.268 0.000 2.114 175 Y HA -0.252 4.302 4.550 0.006 0.000 0.284 175 Y C 2.537 178.342 175.900 -0.159 0.000 1.143 175 Y CA 1.948 59.935 58.100 -0.188 0.000 1.135 175 Y CB -0.332 38.043 38.460 -0.143 0.000 0.980 175 Y HN 0.245 nan 8.280 nan 0.000 0.499 176 Q N -0.089 119.620 119.800 -0.152 0.000 2.152 176 Q HA -0.181 4.164 4.340 0.008 0.000 0.206 176 Q C 2.228 178.133 176.000 -0.159 0.000 0.985 176 Q CA 2.170 57.870 55.803 -0.171 0.000 0.863 176 Q CB -1.037 27.684 28.738 -0.027 0.000 0.904 176 Q HN 0.529 nan 8.270 nan 0.000 0.422 177 T N 1.162 115.620 114.554 -0.159 0.000 2.622 177 T HA -0.124 4.231 4.350 0.008 0.000 0.266 177 T C 1.581 176.313 174.700 0.054 0.000 1.047 177 T CA 1.377 63.425 62.100 -0.087 0.000 1.159 177 T CB -0.365 68.417 68.868 -0.143 0.000 0.863 177 T HN 0.140 nan 8.240 nan 0.000 0.422 178 F N 1.958 121.955 119.950 0.077 0.000 2.154 178 F HA -0.034 4.499 4.527 0.010 0.000 0.301 178 F C 2.681 178.559 175.800 0.131 0.000 1.087 178 F CA 0.229 58.340 58.000 0.185 0.000 1.274 178 F CB -1.611 37.623 39.000 0.389 0.000 1.009 178 F HN 0.161 nan 8.300 nan 0.000 0.485 179 A N 0.433 123.348 122.820 0.159 0.000 1.851 179 A HA -0.229 4.096 4.320 0.008 0.000 0.216 179 A C 2.452 180.092 177.584 0.093 0.000 1.195 179 A CA 1.918 54.002 52.037 0.079 0.000 0.622 179 A CB -0.793 18.052 19.000 -0.259 0.000 0.831 179 A HN 0.302 nan 8.150 nan 0.000 0.444 180 R N -1.149 119.378 120.500 0.045 0.000 2.080 180 R HA -0.113 4.232 4.340 0.008 0.000 0.236 180 R C 2.403 178.741 176.300 0.063 0.000 1.137 180 R CA 1.928 58.055 56.100 0.046 0.000 0.943 180 R CB -1.021 29.296 30.300 0.028 0.000 0.846 180 R HN 0.575 nan 8.270 nan 0.000 0.431 181 T N 0.976 115.585 114.554 0.090 0.000 2.607 181 T HA -0.142 4.213 4.350 0.008 0.000 0.267 181 T C 2.008 176.734 174.700 0.044 0.000 1.049 181 T CA 1.697 63.843 62.100 0.077 0.000 1.162 181 T CB -0.316 68.629 68.868 0.127 0.000 0.863 181 T HN 0.011 nan 8.240 nan 0.000 0.424 182 V N 1.430 121.380 119.914 0.060 0.000 2.469 182 V HA -0.165 3.960 4.120 0.008 0.000 0.251 182 V C 2.559 178.657 176.094 0.006 0.000 1.064 182 V CA 1.896 64.194 62.300 -0.003 0.000 1.066 182 V CB -0.650 31.172 31.823 -0.002 0.000 0.667 182 V HN 0.421 nan 8.190 nan 0.000 0.461 183 E N 0.611 120.839 120.200 0.046 0.000 2.047 183 E HA -0.144 4.211 4.350 0.008 0.000 0.191 183 E C 2.351 178.962 176.600 0.018 0.000 0.987 183 E CA 1.742 58.168 56.400 0.043 0.000 0.799 183 E CB -0.393 29.341 29.700 0.056 0.000 0.752 183 E HN 0.553 nan 8.360 nan 0.000 0.449 184 S N -0.365 115.346 115.700 0.017 0.000 2.353 184 S HA -0.176 4.298 4.470 0.008 0.000 0.222 184 S C 2.082 176.679 174.600 -0.004 0.000 1.035 184 S CA 1.362 59.569 58.200 0.011 0.000 1.025 184 S CB -0.576 62.633 63.200 0.015 0.000 0.902 184 S HN 0.173 nan 8.310 nan 0.000 0.440 185 V N 3.278 123.179 119.914 -0.022 0.000 2.252 185 V HA -0.239 3.885 4.120 0.008 0.000 0.249 185 V C 2.142 178.204 176.094 -0.054 0.000 1.056 185 V CA 1.874 64.147 62.300 -0.046 0.000 1.022 185 V CB -0.839 30.934 31.823 -0.083 0.000 0.641 185 V HN 0.459 nan 8.190 nan 0.000 0.445 186 N N -0.014 118.644 118.700 -0.070 0.000 2.364 186 N HA -0.104 4.641 4.740 0.008 0.000 0.183 186 N C 1.676 177.158 175.510 -0.047 0.000 1.022 186 N CA 1.127 54.126 53.050 -0.085 0.000 0.883 186 N CB -0.296 38.130 38.487 -0.102 0.000 0.965 186 N HN 0.401 nan 8.380 nan 0.000 0.438 187 V N 1.304 121.205 119.914 -0.022 0.000 2.490 187 V HA -0.152 3.972 4.120 0.008 0.000 0.250 187 V C 2.155 178.241 176.094 -0.013 0.000 1.061 187 V CA 1.138 63.428 62.300 -0.016 0.000 1.064 187 V CB -0.259 31.564 31.823 -0.000 0.000 0.670 187 V HN 0.220 nan 8.190 nan 0.000 0.461 188 I N -0.778 119.804 120.570 0.020 0.000 2.339 188 I HA -0.116 4.058 4.170 0.008 0.000 0.245 188 I C 2.342 178.510 176.117 0.085 0.000 1.096 188 I CA 0.811 62.172 61.300 0.102 0.000 1.408 188 I CB -0.349 37.703 38.000 0.087 0.000 1.092 188 I HN 0.097 nan 8.210 nan 0.000 0.423 189 V N 1.182 121.097 119.914 0.003 0.000 2.332 189 V HA -0.300 3.825 4.120 0.008 0.000 0.248 189 V C 2.666 178.734 176.094 -0.043 0.000 1.055 189 V CA 2.444 64.726 62.300 -0.030 0.000 1.038 189 V CB -0.979 30.786 31.823 -0.097 0.000 0.651 189 V HN 0.606 nan 8.190 nan 0.000 0.450 190 S N -0.850 114.811 115.700 -0.065 0.000 2.387 190 S HA -0.178 4.297 4.470 0.008 0.000 0.226 190 S C 1.924 176.452 174.600 -0.119 0.000 1.026 190 S CA 1.630 59.782 58.200 -0.080 0.000 0.972 190 S CB -0.725 62.435 63.200 -0.067 0.000 0.814 190 S HN 0.535 nan 8.310 nan 0.000 0.477 191 T N 0.559 115.008 114.554 -0.175 0.000 2.915 191 T HA 0.041 4.396 4.350 0.008 0.000 0.269 191 T C 0.748 175.105 174.700 -0.571 0.000 1.071 191 T CA 1.305 63.172 62.100 -0.387 0.000 1.132 191 T CB -0.328 68.225 68.868 -0.524 0.000 0.878 191 T HN 0.608 nan 8.240 nan 0.000 0.479 192 Y N 0.084 120.349 120.300 -0.058 0.000 2.426 192 Y HA 0.619 5.174 4.550 0.007 0.000 0.249 192 Y C 1.166 177.027 175.900 -0.064 0.000 1.103 192 Y CA -1.156 56.907 58.100 -0.061 0.000 1.256 192 Y CB 0.050 38.472 38.460 -0.062 0.000 1.208 192 Y HN 0.098 nan 8.280 nan 0.000 0.519 193 A N 0.128 122.972 122.820 0.040 0.000 2.313 193 A HA 0.311 4.636 4.320 0.008 0.000 0.261 193 A C -0.445 177.121 177.584 -0.029 0.000 1.090 193 A CA -0.431 51.603 52.037 -0.005 0.000 0.807 193 A CB 0.071 19.045 19.000 -0.044 0.000 1.055 193 A HN 0.104 nan 8.150 nan 0.000 0.492 194 D N 0.372 120.745 120.400 -0.045 0.000 2.350 194 D HA 0.325 4.970 4.640 0.008 0.000 0.249 194 D C 0.795 177.052 176.300 -0.071 0.000 1.119 194 D CA 0.028 53.997 54.000 -0.053 0.000 0.886 194 D CB 1.134 41.902 40.800 -0.053 0.000 1.195 194 D HN 0.537 nan 8.370 nan 0.000 0.437 195 E N 0.692 120.856 120.200 -0.059 0.000 2.153 195 E HA -0.121 4.233 4.350 0.008 0.000 0.194 195 E C 1.922 178.483 176.600 -0.065 0.000 0.988 195 E CA 0.530 56.895 56.400 -0.058 0.000 0.811 195 E CB 0.005 29.677 29.700 -0.046 0.000 0.746 195 E HN 0.261 nan 8.360 nan 0.000 0.466 196 V N 0.870 120.744 119.914 -0.068 0.000 2.295 196 V HA -0.265 3.859 4.120 0.008 0.000 0.246 196 V C 2.211 178.229 176.094 -0.127 0.000 1.049 196 V CA 1.529 63.784 62.300 -0.074 0.000 1.024 196 V CB -0.572 31.217 31.823 -0.056 0.000 0.648 196 V HN 0.288 nan 8.190 nan 0.000 0.447 197 L N 0.021 121.129 121.223 -0.191 0.000 2.129 197 L HA 0.019 4.363 4.340 0.008 0.000 0.212 197 L C 1.328 178.081 176.870 -0.193 0.000 1.087 197 L CA 1.306 55.965 54.840 -0.300 0.000 0.757 197 L CB -1.091 40.784 42.059 -0.307 0.000 0.896 197 L HN 0.645 nan 8.230 nan 0.000 0.434 198 G N -0.209 108.518 108.800 -0.121 0.000 2.710 198 G HA2 -0.246 3.719 3.960 0.008 0.000 0.668 198 G HA3 -0.246 3.719 3.960 0.008 0.000 0.668 198 G C -0.799 174.060 174.900 -0.069 0.000 1.320 198 G CA -0.312 44.741 45.100 -0.077 0.000 0.860 198 G HN 0.237 nan 8.290 nan 0.000 0.538 199 D N -0.926 119.453 120.400 -0.035 0.000 2.412 199 D HA 0.309 4.954 4.640 0.008 0.000 0.257 199 D C 1.014 177.278 176.300 -0.060 0.000 1.217 199 D CA 0.726 54.710 54.000 -0.026 0.000 0.897 199 D CB 1.166 41.991 40.800 0.041 0.000 1.132 199 D HN 0.640 nan 8.370 nan 0.000 0.493 200 V N 3.881 123.732 119.914 -0.105 0.000 3.427 200 V HA 0.076 4.200 4.120 0.008 0.000 0.305 200 V C 0.789 176.752 176.094 -0.220 0.000 1.412 200 V CA 0.002 62.220 62.300 -0.136 0.000 1.086 200 V CB -0.414 31.338 31.823 -0.119 0.000 0.964 200 V HN 0.615 nan 8.190 nan 0.000 0.439 201 Q N 0.641 120.261 119.800 -0.299 0.000 2.428 201 Q HA 0.157 4.502 4.340 0.008 0.000 0.276 201 Q C -0.123 175.427 176.000 -0.751 0.000 1.059 201 Q CA 0.200 55.705 55.803 -0.496 0.000 0.923 201 Q CB 1.343 29.740 28.738 -0.568 0.000 1.283 201 Q HN 0.474 nan 8.270 nan 0.000 0.447 202 V N 0.355 119.889 119.914 -0.632 0.000 2.509 202 V HA 0.383 4.508 4.120 0.008 0.000 0.284 202 V C -1.066 174.666 176.094 -0.603 0.000 1.047 202 V CA -0.605 61.362 62.300 -0.554 0.000 0.952 202 V CB 0.378 31.978 31.823 -0.371 0.000 0.988 202 V HN 0.525 nan 8.190 nan 0.000 0.469 203 Y N 3.856 124.012 120.300 -0.239 0.000 2.327 203 Y HA 0.472 5.025 4.550 0.006 0.000 0.325 203 Y C -2.025 173.667 175.900 -0.347 0.000 0.999 203 Y CA -2.463 55.483 58.100 -0.255 0.000 1.195 203 Y CB 2.067 40.434 38.460 -0.154 0.000 1.132 203 Y HN 0.416 nan 8.280 nan 0.000 0.455 204 P HA -0.263 nan 4.420 nan 0.000 0.217 204 P C 1.285 178.459 177.300 -0.210 0.000 1.151 204 P CA 2.606 65.415 63.100 -0.485 0.000 0.849 204 P CB 0.372 31.336 31.700 -1.226 0.000 0.787 205 A N -0.579 122.133 122.820 -0.180 0.000 2.067 205 A HA -0.126 4.199 4.320 0.008 0.000 0.219 205 A C 1.945 179.559 177.584 0.049 0.000 1.158 205 A CA 1.121 53.183 52.037 0.042 0.000 0.661 205 A CB -0.767 18.292 19.000 0.098 0.000 0.801 205 A HN 0.148 nan 8.150 nan 0.000 0.452 206 R N -1.259 119.250 120.500 0.015 0.000 2.388 206 R HA 0.247 4.592 4.340 0.008 0.000 0.247 206 R C 0.999 177.286 176.300 -0.023 0.000 0.931 206 R CA 0.421 56.541 56.100 0.034 0.000 1.082 206 R CB 0.032 30.371 30.300 0.066 0.000 1.135 206 R HN 0.576 nan 8.270 nan 0.000 0.525 207 G N 1.642 110.420 108.800 -0.037 0.000 2.198 207 G HA2 -0.307 3.657 3.960 0.008 0.000 0.260 207 G HA3 -0.307 3.657 3.960 0.008 0.000 0.260 207 G C 0.616 175.346 174.900 -0.284 0.000 1.025 207 G CA 0.916 45.995 45.100 -0.035 0.000 0.769 207 G HN 0.445 nan 8.290 nan 0.000 0.507 208 T N -3.372 110.931 114.554 -0.419 0.000 3.129 208 T HA 0.580 4.934 4.350 0.008 0.000 0.267 208 T C 0.180 174.652 174.700 -0.381 0.000 1.018 208 T CA 0.291 62.094 62.100 -0.494 0.000 0.903 208 T CB 1.129 69.670 68.868 -0.545 0.000 1.067 208 T HN 0.835 nan 8.240 nan 0.000 0.549 209 V N 1.310 120.989 119.914 -0.391 0.000 2.612 209 V HA 0.801 4.926 4.120 0.008 0.000 0.301 209 V C -0.272 175.393 176.094 -0.715 0.000 1.059 209 V CA -1.150 60.814 62.300 -0.561 0.000 0.886 209 V CB 1.273 32.713 31.823 -0.639 0.000 1.007 209 V HN 0.612 nan 8.190 nan 0.000 0.426 210 A N 4.715 127.074 122.820 -0.769 0.000 2.337 210 A HA 1.019 5.343 4.320 0.008 0.000 0.331 210 A C -1.197 175.696 177.584 -1.151 0.000 1.137 210 A CA -0.430 51.159 52.037 -0.746 0.000 0.807 210 A CB 1.127 19.887 19.000 -0.400 0.000 1.250 210 A HN 0.646 nan 8.150 nan 0.000 0.468 211 F N 0.071 119.555 119.950 -0.776 0.000 2.563 211 F HA 0.787 5.318 4.527 0.006 0.000 0.316 211 F C 0.770 176.099 175.800 -0.785 0.000 1.076 211 F CA 0.142 57.645 58.000 -0.828 0.000 0.921 211 F CB 2.714 41.128 39.000 -0.977 0.000 1.209 211 F HN 1.000 nan 8.300 nan 0.000 0.462 212 G N 0.219 108.713 108.800 -0.511 0.000 2.321 212 G HA2 0.434 4.398 3.960 0.008 0.000 0.296 212 G HA3 0.434 4.398 3.960 0.008 0.000 0.296 212 G C -1.984 172.325 174.900 -0.984 0.000 1.287 212 G CA -0.772 43.761 45.100 -0.946 0.000 0.846 212 G HN 0.709 nan 8.290 nan 0.000 0.508 213 S N -0.949 113.998 115.700 -1.254 0.000 2.779 213 S HA 0.563 5.038 4.470 0.008 0.000 0.293 213 S C 1.276 175.617 174.600 -0.432 0.000 1.150 213 S CA 0.744 58.486 58.200 -0.763 0.000 1.057 213 S CB 1.013 63.751 63.200 -0.770 0.000 1.021 213 S HN 1.826 nan 8.310 nan 0.000 0.485 214 G N 4.061 112.713 108.800 -0.246 0.000 2.418 214 G HA2 -0.091 3.874 3.960 0.008 0.000 0.217 214 G HA3 -0.091 3.874 3.960 0.008 0.000 0.217 214 G C 1.215 176.093 174.900 -0.036 0.000 1.158 214 G CA 0.898 45.930 45.100 -0.114 0.000 0.771 214 G HN 0.685 nan 8.290 nan 0.000 0.545 215 L N -0.142 121.056 121.223 -0.042 0.000 1.944 215 L HA -0.180 4.165 4.340 0.008 0.000 0.218 215 L C 2.737 179.748 176.870 0.235 0.000 1.075 215 L CA 1.568 56.447 54.840 0.065 0.000 0.767 215 L CB -0.734 41.333 42.059 0.014 0.000 0.890 215 L HN 0.197 nan 8.230 nan 0.000 0.434 216 H N -0.174 118.973 119.070 0.127 0.000 2.491 216 H HA 0.031 4.592 4.556 0.009 0.000 0.290 216 H C 1.600 177.073 175.328 0.243 0.000 1.050 216 H CA 0.562 56.758 56.048 0.247 0.000 1.309 216 H CB -0.493 29.576 29.762 0.512 0.000 1.392 216 H HN 0.538 nan 8.280 nan 0.000 0.554 217 G N -0.450 108.497 108.800 0.245 0.000 2.165 217 G HA2 -0.173 3.792 3.960 0.008 0.000 0.226 217 G HA3 -0.173 3.792 3.960 0.008 0.000 0.226 217 G C -0.045 175.010 174.900 0.258 0.000 1.035 217 G CA 0.238 45.446 45.100 0.181 0.000 0.744 217 G HN 0.495 nan 8.290 nan 0.000 0.501 218 W N -0.943 120.455 121.300 0.164 0.000 2.864 218 W HA 0.864 5.527 4.660 0.006 0.000 0.343 218 W C -0.268 176.325 176.519 0.123 0.000 1.109 218 W CA -1.394 56.051 57.345 0.166 0.000 1.192 218 W CB 1.618 31.239 29.460 0.268 0.000 1.426 218 W HN 1.160 nan 8.180 nan 0.000 0.529 219 A N 2.898 125.934 122.820 0.359 0.000 2.599 219 A HA 0.820 5.144 4.320 0.008 0.000 0.294 219 A C -2.049 175.678 177.584 0.238 0.000 1.055 219 A CA -0.724 51.380 52.037 0.111 0.000 0.683 219 A CB 1.234 20.154 19.000 -0.133 0.000 1.278 219 A HN 1.136 nan 8.150 nan 0.000 0.412 220 F N -0.943 119.149 119.950 0.237 0.000 2.662 220 F HA 0.912 5.443 4.527 0.007 0.000 0.312 220 F C -0.257 175.680 175.800 0.230 0.000 1.113 220 F CA -0.249 57.846 58.000 0.159 0.000 0.951 220 F CB 1.363 40.467 39.000 0.172 0.000 1.344 220 F HN 0.965 nan 8.300 nan 0.000 0.462 221 T N -0.503 114.334 114.554 0.471 0.000 2.907 221 T HA 0.456 4.810 4.350 0.008 0.000 0.292 221 T C 0.571 175.608 174.700 0.561 0.000 1.043 221 T CA -0.746 61.594 62.100 0.400 0.000 1.003 221 T CB 1.479 70.436 68.868 0.148 0.000 1.084 221 T HN 0.614 nan 8.240 nan 0.000 0.483 222 I N 0.975 121.878 120.570 0.556 0.000 2.248 222 I HA -0.104 4.070 4.170 0.008 0.000 0.248 222 I C 2.579 178.908 176.117 0.353 0.000 1.107 222 I CA 1.400 63.019 61.300 0.532 0.000 1.373 222 I CB -1.225 37.044 38.000 0.448 0.000 1.055 222 I HN 0.848 nan 8.210 nan 0.000 0.418 223 R N 0.648 121.294 120.500 0.242 0.000 2.241 223 R HA -0.169 4.176 4.340 0.008 0.000 0.224 223 R C 2.039 178.401 176.300 0.104 0.000 1.101 223 R CA 1.056 57.250 56.100 0.156 0.000 0.995 223 R CB 0.078 30.451 30.300 0.122 0.000 0.870 223 R HN 0.505 nan 8.270 nan 0.000 0.463 224 Q N -1.149 118.704 119.800 0.088 0.000 2.165 224 Q HA -0.042 4.303 4.340 0.008 0.000 0.197 224 Q C 1.440 177.340 176.000 -0.166 0.000 0.952 224 Q CA 0.977 56.734 55.803 -0.077 0.000 0.848 224 Q CB 0.128 28.764 28.738 -0.169 0.000 0.931 224 Q HN 0.303 nan 8.270 nan 0.000 0.470 225 F N 0.405 120.361 119.950 0.010 0.000 2.367 225 F HA 0.023 4.555 4.527 0.008 0.000 0.298 225 F C 2.172 177.962 175.800 -0.017 0.000 1.094 225 F CA 0.833 58.780 58.000 -0.089 0.000 1.409 225 F CB -0.245 38.722 39.000 -0.054 0.000 1.064 225 F HN 0.039 nan 8.300 nan 0.000 0.528 226 A N -0.904 122.058 122.820 0.236 0.000 2.014 226 A HA -0.097 4.228 4.320 0.008 0.000 0.218 226 A C 2.153 179.807 177.584 0.116 0.000 1.163 226 A CA 1.897 54.049 52.037 0.192 0.000 0.652 226 A CB -1.044 18.059 19.000 0.171 0.000 0.808 226 A HN 0.290 nan 8.150 nan 0.000 0.449 227 T N -0.625 113.965 114.554 0.061 0.000 3.043 227 T HA -0.004 4.350 4.350 0.008 0.000 0.263 227 T C 1.974 176.681 174.700 0.011 0.000 1.094 227 T CA 1.016 63.133 62.100 0.029 0.000 1.127 227 T CB -0.060 68.809 68.868 0.001 0.000 0.905 227 T HN 0.514 nan 8.240 nan 0.000 0.490 228 R N 0.141 120.626 120.500 -0.024 0.000 2.048 228 R HA 0.082 4.427 4.340 0.008 0.000 0.224 228 R C 1.631 177.931 176.300 0.000 0.000 1.163 228 R CA 0.957 57.008 56.100 -0.081 0.000 0.956 228 R CB -0.338 29.821 30.300 -0.235 0.000 0.849 228 R HN 0.296 nan 8.270 nan 0.000 0.435 229 Y N 1.411 121.768 120.300 0.095 0.000 2.632 229 Y HA 0.089 4.643 4.550 0.007 0.000 0.301 229 Y C 2.025 177.970 175.900 0.076 0.000 1.172 229 Y CA -0.308 57.824 58.100 0.054 0.000 1.328 229 Y CB -0.975 37.532 38.460 0.078 0.000 1.016 229 Y HN 0.187 nan 8.280 nan 0.000 0.529 230 A N 1.217 124.148 122.820 0.185 0.000 1.915 230 A HA -0.328 3.996 4.320 0.008 0.000 0.220 230 A C 2.278 179.929 177.584 0.112 0.000 1.198 230 A CA 2.772 54.884 52.037 0.126 0.000 0.647 230 A CB -0.457 18.588 19.000 0.075 0.000 0.825 230 A HN 0.597 nan 8.150 nan 0.000 0.456 231 K N -1.657 118.791 120.400 0.081 0.000 2.370 231 K HA 0.212 4.537 4.320 0.008 0.000 0.194 231 K C 1.386 177.995 176.600 0.015 0.000 1.070 231 K CA 0.425 56.745 56.287 0.055 0.000 0.998 231 K CB -0.022 32.498 32.500 0.033 0.000 0.911 231 K HN 0.257 nan 8.250 nan 0.000 0.533 232 K N 0.200 120.569 120.400 -0.051 0.000 2.589 232 K HA -0.079 4.246 4.320 0.008 0.000 0.195 232 K C 0.122 176.452 176.600 -0.449 0.000 1.042 232 K CA 1.016 57.152 56.287 -0.252 0.000 0.940 232 K CB -0.123 32.170 32.500 -0.344 0.000 0.776 232 K HN 0.178 nan 8.250 nan 0.000 0.487 233 F N -0.849 119.094 119.950 -0.013 0.000 2.871 233 F HA 0.227 4.760 4.527 0.009 0.000 0.344 233 F C 0.769 176.593 175.800 0.040 0.000 1.078 233 F CA -0.159 57.847 58.000 0.010 0.000 1.149 233 F CB 1.140 40.136 39.000 -0.005 0.000 1.087 233 F HN -0.007 nan 8.300 nan 0.000 0.557 234 G N 2.336 111.240 108.800 0.174 0.000 2.422 234 G HA2 0.045 4.009 3.960 0.008 0.000 0.290 234 G HA3 0.045 4.009 3.960 0.008 0.000 0.290 234 G C -0.579 174.383 174.900 0.104 0.000 1.059 234 G CA 0.167 45.337 45.100 0.117 0.000 1.242 234 G HN 0.821 nan 8.290 nan 0.000 0.520 235 V N -2.033 117.932 119.914 0.085 0.000 3.114 235 V HA 0.897 5.022 4.120 0.008 0.000 0.308 235 V C -0.406 175.707 176.094 0.031 0.000 1.168 235 V CA -0.975 61.347 62.300 0.037 0.000 1.015 235 V CB 2.415 34.239 31.823 0.002 0.000 1.050 235 V HN 0.550 nan 8.190 nan 0.000 0.433 236 D N 1.574 121.980 120.400 0.010 0.000 2.280 236 D HA 0.301 4.946 4.640 0.008 0.000 0.243 236 D C 1.028 177.335 176.300 0.011 0.000 1.129 236 D CA -0.368 53.640 54.000 0.014 0.000 0.848 236 D CB 1.624 42.429 40.800 0.008 0.000 1.107 236 D HN 0.858 nan 8.370 nan 0.000 0.471 237 K N 1.623 122.040 120.400 0.027 0.000 2.304 237 K HA -0.349 3.976 4.320 0.008 0.000 0.204 237 K C 1.660 178.276 176.600 0.027 0.000 1.044 237 K CA 1.414 57.724 56.287 0.037 0.000 0.932 237 K CB -0.412 32.119 32.500 0.051 0.000 0.735 237 K HN 0.391 nan 8.250 nan 0.000 0.468 238 A N 2.045 124.875 122.820 0.016 0.000 1.884 238 A HA -0.235 4.090 4.320 0.008 0.000 0.219 238 A C 2.180 179.760 177.584 -0.006 0.000 1.197 238 A CA 2.103 54.148 52.037 0.012 0.000 0.637 238 A CB -0.528 18.475 19.000 0.006 0.000 0.827 238 A HN 0.481 nan 8.150 nan 0.000 0.450 239 K N -1.970 118.408 120.400 -0.037 0.000 2.400 239 K HA 0.095 4.420 4.320 0.008 0.000 0.194 239 K C 1.783 178.296 176.600 -0.144 0.000 1.033 239 K CA 0.752 56.986 56.287 -0.090 0.000 1.021 239 K CB -0.041 32.388 32.500 -0.117 0.000 0.808 239 K HN 0.385 nan 8.250 nan 0.000 0.505 240 M N 1.102 120.649 119.600 -0.089 0.000 2.193 240 M HA -0.026 4.459 4.480 0.008 0.000 0.265 240 M C 1.872 178.172 176.300 -0.000 0.000 1.071 240 M CA 1.419 56.664 55.300 -0.093 0.000 1.140 240 M CB -0.052 32.556 32.600 0.012 0.000 1.369 240 M HN 0.254 nan 8.290 nan 0.000 0.423 241 M N -2.354 117.284 119.600 0.063 0.000 2.349 241 M HA -0.025 4.460 4.480 0.008 0.000 0.266 241 M C 1.514 177.894 176.300 0.133 0.000 1.076 241 M CA 1.779 57.165 55.300 0.142 0.000 1.126 241 M CB -0.895 31.797 32.600 0.152 0.000 1.392 241 M HN 0.098 nan 8.290 nan 0.000 0.440 242 D N 1.373 121.807 120.400 0.057 0.000 2.178 242 D HA -0.121 4.523 4.640 0.008 0.000 0.201 242 D C 1.950 178.278 176.300 0.047 0.000 0.980 242 D CA 1.159 55.189 54.000 0.051 0.000 0.842 242 D CB 0.035 40.832 40.800 -0.006 0.000 0.948 242 D HN 0.515 nan 8.370 nan 0.000 0.472 243 R N -0.428 120.050 120.500 -0.036 0.000 2.127 243 R HA 0.138 4.483 4.340 0.008 0.000 0.217 243 R C 2.356 178.704 176.300 0.081 0.000 1.074 243 R CA 0.076 56.123 56.100 -0.089 0.000 0.991 243 R CB -0.005 30.031 30.300 -0.441 0.000 0.895 243 R HN 0.183 nan 8.270 nan 0.000 0.450 244 L N -0.048 121.291 121.223 0.192 0.000 2.642 244 L HA -0.068 4.277 4.340 0.008 0.000 0.236 244 L C 0.680 177.854 176.870 0.507 0.000 1.169 244 L CA 0.506 55.568 54.840 0.370 0.000 0.851 244 L CB -0.183 42.133 42.059 0.428 0.000 0.968 244 L HN 0.285 nan 8.230 nan 0.000 0.453 245 W N -0.435 120.955 121.300 0.150 0.000 3.031 245 W HA 0.448 5.112 4.660 0.008 0.000 0.337 245 W C 0.502 177.046 176.519 0.042 0.000 1.187 245 W CA 0.232 57.640 57.345 0.106 0.000 1.166 245 W CB 1.686 31.218 29.460 0.120 0.000 1.437 245 W HN 0.036 nan 8.180 nan 0.000 0.551 246 G N 2.774 111.185 108.800 -0.648 0.000 2.553 246 G HA2 -0.249 3.715 3.960 0.008 0.000 0.242 246 G HA3 -0.249 3.715 3.960 0.008 0.000 0.242 246 G C -0.813 173.893 174.900 -0.324 0.000 1.277 246 G CA -0.010 44.903 45.100 -0.313 0.000 0.910 246 G HN 0.469 nan 8.290 nan 0.000 0.576 247 D N 1.824 122.127 120.400 -0.161 0.000 2.456 247 D HA 0.561 5.206 4.640 0.008 0.000 0.219 247 D C -0.304 175.895 176.300 -0.169 0.000 1.126 247 D CA 0.427 54.327 54.000 -0.168 0.000 0.890 247 D CB 0.847 41.740 40.800 0.155 0.000 1.025 247 D HN 0.474 nan 8.370 nan 0.000 0.511 248 S N 1.648 116.992 115.700 -0.594 0.000 2.572 248 S HA 0.574 5.049 4.470 0.008 0.000 0.274 248 S C -0.808 173.494 174.600 -0.498 0.000 1.150 248 S CA -0.693 57.388 58.200 -0.198 0.000 0.944 248 S CB 1.142 64.339 63.200 -0.005 0.000 1.071 248 S HN 0.196 nan 8.310 nan 0.000 0.479 249 F N 1.568 121.677 119.950 0.264 0.000 2.588 249 F HA 0.661 5.191 4.527 0.005 0.000 0.314 249 F C -0.768 175.058 175.800 0.042 0.000 1.069 249 F CA -1.007 57.066 58.000 0.121 0.000 0.931 249 F CB 1.344 40.340 39.000 -0.007 0.000 1.260 249 F HN 0.526 nan 8.300 nan 0.000 0.465 250 F N 3.037 122.860 119.950 -0.212 0.000 2.434 250 F HA 0.371 4.902 4.527 0.007 0.000 0.355 250 F C -0.200 175.429 175.800 -0.286 0.000 1.115 250 F CA -0.858 56.787 58.000 -0.590 0.000 1.010 250 F CB 0.492 38.937 39.000 -0.924 0.000 1.234 250 F HN 0.391 nan 8.300 nan 0.000 0.439 251 N N 7.329 125.657 118.700 -0.620 0.000 2.452 251 N HA 0.115 4.860 4.740 0.008 0.000 0.266 251 N C -1.961 173.240 175.510 -0.515 0.000 1.209 251 N CA -1.332 51.465 53.050 -0.422 0.000 0.929 251 N CB 1.692 39.976 38.487 -0.339 0.000 1.063 251 N HN 0.311 nan 8.380 nan 0.000 0.472 252 P HA -0.086 nan 4.420 nan 0.000 0.216 252 P C 0.609 177.828 177.300 -0.135 0.000 1.153 252 P CA 1.706 64.739 63.100 -0.113 0.000 0.848 252 P CB 0.451 32.121 31.700 -0.050 0.000 0.787 253 K N -0.696 119.616 120.400 -0.147 0.000 1.975 253 K HA -0.066 4.259 4.320 0.008 0.000 0.210 253 K C 2.261 178.772 176.600 -0.148 0.000 1.041 253 K CA 2.030 58.245 56.287 -0.119 0.000 0.942 253 K CB -1.523 30.917 32.500 -0.100 0.000 0.729 253 K HN 0.176 nan 8.250 nan 0.000 0.439 254 T N -0.339 114.101 114.554 -0.190 0.000 2.929 254 T HA -0.111 4.244 4.350 0.008 0.000 0.271 254 T C 0.632 175.182 174.700 -0.249 0.000 1.085 254 T CA 0.744 62.731 62.100 -0.188 0.000 1.125 254 T CB -0.271 68.487 68.868 -0.184 0.000 0.874 254 T HN 0.107 nan 8.240 nan 0.000 0.494 255 K N 0.831 120.976 120.400 -0.424 0.000 3.117 255 K HA -0.117 4.208 4.320 0.008 0.000 0.269 255 K C -0.482 175.746 176.600 -0.620 0.000 1.098 255 K CA 0.831 56.784 56.287 -0.557 0.000 0.785 255 K CB -1.522 30.904 32.500 -0.124 0.000 1.242 255 K HN 0.630 nan 8.250 nan 0.000 0.491 256 K N -0.660 119.298 120.400 -0.735 0.000 2.340 256 K HA 0.440 4.765 4.320 0.008 0.000 0.244 256 K C -0.347 175.982 176.600 -0.452 0.000 0.973 256 K CA -0.757 55.301 56.287 -0.381 0.000 0.828 256 K CB 1.086 33.494 32.500 -0.154 0.000 1.226 256 K HN -0.024 nan 8.250 nan 0.000 0.437 257 W N 0.987 122.282 121.300 -0.008 0.000 2.390 257 W HA 0.288 4.952 4.660 0.006 0.000 0.312 257 W C 0.014 176.568 176.519 0.058 0.000 1.123 257 W CA -0.039 57.363 57.345 0.095 0.000 1.202 257 W CB 1.679 31.212 29.460 0.121 0.000 1.251 257 W HN 0.380 nan 8.180 nan 0.000 0.511 258 T N 2.018 116.772 114.554 0.334 0.000 2.888 258 T HA 0.250 4.604 4.350 0.008 0.000 0.288 258 T C 0.095 174.994 174.700 0.330 0.000 1.063 258 T CA -0.815 61.422 62.100 0.228 0.000 1.010 258 T CB 1.539 70.459 68.868 0.087 0.000 1.214 258 T HN 0.303 nan 8.240 nan 0.000 0.533 259 N N 1.076 119.907 118.700 0.219 0.000 2.238 259 N HA 0.142 4.887 4.740 0.008 0.000 0.235 259 N C -0.702 174.904 175.510 0.160 0.000 1.209 259 N CA -0.013 53.193 53.050 0.260 0.000 0.879 259 N CB 0.544 39.124 38.487 0.155 0.000 1.136 259 N HN 0.595 nan 8.380 nan 0.000 0.517 260 K N -0.312 120.053 120.400 -0.058 0.000 2.427 260 K HA 0.318 4.643 4.320 0.008 0.000 0.252 260 K C -0.367 175.703 176.600 -0.884 0.000 0.931 260 K CA -0.636 55.466 56.287 -0.308 0.000 0.793 260 K CB 1.260 33.653 32.500 -0.178 0.000 1.211 260 K HN -0.250 nan 8.250 nan 0.000 0.426 261 D N 0.797 120.569 120.400 -1.047 0.000 2.390 261 D HA -0.087 4.558 4.640 0.008 0.000 0.235 261 D C -0.335 175.600 176.300 -0.609 0.000 1.040 261 D CA 0.386 53.645 54.000 -1.236 0.000 0.923 261 D CB -0.152 40.294 40.800 -0.591 0.000 0.886 261 D HN 0.623 nan 8.370 nan 0.000 0.532 262 T N -1.906 112.382 114.554 -0.443 0.000 2.903 262 T HA 0.452 4.806 4.350 0.008 0.000 0.299 262 T C -0.722 173.850 174.700 -0.214 0.000 1.093 262 T CA -1.218 60.725 62.100 -0.262 0.000 1.002 262 T CB 2.203 70.961 68.868 -0.184 0.000 1.127 262 T HN 0.078 nan 8.240 nan 0.000 0.488 263 D N 0.613 120.917 120.400 -0.161 0.000 2.432 263 D HA 0.494 5.138 4.640 0.008 0.000 0.258 263 D C 1.663 177.900 176.300 -0.104 0.000 1.146 263 D CA -0.572 53.350 54.000 -0.131 0.000 1.015 263 D CB 0.474 41.202 40.800 -0.119 0.000 1.107 263 D HN 0.634 nan 8.370 nan 0.000 0.529 264 A N 0.294 123.062 122.820 -0.086 0.000 1.985 264 A HA -0.321 4.003 4.320 0.008 0.000 0.223 264 A C 1.874 179.420 177.584 -0.064 0.000 1.189 264 A CA 2.099 54.095 52.037 -0.069 0.000 0.658 264 A CB -0.881 18.085 19.000 -0.058 0.000 0.820 264 A HN 0.731 nan 8.150 nan 0.000 0.464 265 E N -2.776 117.384 120.200 -0.066 0.000 2.230 265 E HA 0.219 4.574 4.350 0.008 0.000 0.192 265 E C 1.336 177.899 176.600 -0.062 0.000 0.987 265 E CA 0.488 56.852 56.400 -0.059 0.000 0.841 265 E CB -0.027 29.639 29.700 -0.056 0.000 0.783 265 E HN 0.824 nan 8.360 nan 0.000 0.481 266 G N 1.396 110.151 108.800 -0.075 0.000 2.227 266 G HA2 -0.176 3.789 3.960 0.008 0.000 0.168 266 G HA3 -0.176 3.789 3.960 0.008 0.000 0.168 266 G C -0.080 174.770 174.900 -0.083 0.000 1.006 266 G CA -0.488 44.566 45.100 -0.077 0.000 0.684 266 G HN 0.030 nan 8.290 nan 0.000 0.489 267 K N 1.213 121.562 120.400 -0.086 0.000 2.270 267 K HA 0.456 4.781 4.320 0.008 0.000 0.276 267 K C -2.473 174.061 176.600 -0.109 0.000 1.023 267 K CA -1.681 54.555 56.287 -0.085 0.000 0.955 267 K CB 0.980 33.433 32.500 -0.078 0.000 0.975 267 K HN 0.030 nan 8.250 nan 0.000 0.471 268 P HA 0.060 nan 4.420 nan 0.000 0.269 268 P C -0.894 176.336 177.300 -0.117 0.000 1.215 268 P CA 0.089 63.119 63.100 -0.115 0.000 0.780 268 P CB 0.533 32.184 31.700 -0.082 0.000 0.898 269 L N 1.567 122.708 121.223 -0.136 0.000 2.356 269 L HA 0.373 4.717 4.340 0.008 0.000 0.277 269 L C 0.627 177.578 176.870 0.135 0.000 0.996 269 L CA -0.831 53.976 54.840 -0.054 0.000 0.822 269 L CB 1.728 43.707 42.059 -0.135 0.000 1.256 269 L HN 0.381 nan 8.230 nan 0.000 0.413 270 E N 4.173 124.402 120.200 0.049 0.000 2.384 270 E HA 0.067 4.422 4.350 0.008 0.000 0.266 270 E C 0.035 176.634 176.600 -0.002 0.000 1.012 270 E CA -0.425 55.964 56.400 -0.017 0.000 0.901 270 E CB 0.992 30.604 29.700 -0.147 0.000 0.967 270 E HN 0.408 nan 8.360 nan 0.000 0.435 271 R N 2.808 123.206 120.500 -0.170 0.000 2.784 271 R HA 0.017 4.362 4.340 0.008 0.000 0.266 271 R C 0.833 176.894 176.300 -0.397 0.000 1.044 271 R CA 0.682 56.467 56.100 -0.525 0.000 1.151 271 R CB 0.533 30.447 30.300 -0.644 0.000 1.037 271 R HN 0.740 nan 8.270 nan 0.000 0.478 272 A N 4.204 126.837 122.820 -0.313 0.000 1.902 272 A HA -0.204 4.120 4.320 0.008 0.000 0.217 272 A C 1.853 179.415 177.584 -0.037 0.000 1.181 272 A CA 1.328 53.352 52.037 -0.022 0.000 0.623 272 A CB -0.635 18.571 19.000 0.343 0.000 0.818 272 A HN 0.852 nan 8.150 nan 0.000 0.443 273 F N 1.539 121.361 119.950 -0.213 0.000 2.102 273 F HA -0.205 4.327 4.527 0.009 0.000 0.298 273 F C 1.882 177.533 175.800 -0.249 0.000 1.105 273 F CA 2.179 60.093 58.000 -0.144 0.000 1.239 273 F CB -0.358 38.547 39.000 -0.157 0.000 0.991 273 F HN 0.260 nan 8.300 nan 0.000 0.474 274 N N -0.330 118.227 118.700 -0.239 0.000 2.244 274 N HA -0.152 4.593 4.740 0.008 0.000 0.183 274 N C 1.923 177.156 175.510 -0.461 0.000 1.016 274 N CA 1.403 54.237 53.050 -0.360 0.000 0.866 274 N CB -0.321 37.974 38.487 -0.320 0.000 0.980 274 N HN 0.356 nan 8.380 nan 0.000 0.430 275 M N -1.120 118.145 119.600 -0.559 0.000 2.160 275 M HA 0.019 4.504 4.480 0.008 0.000 0.264 275 M C 0.476 176.268 176.300 -0.848 0.000 1.073 275 M CA 1.420 56.227 55.300 -0.823 0.000 1.142 275 M CB 0.119 31.946 32.600 -1.288 0.000 1.358 275 M HN 0.064 nan 8.290 nan 0.000 0.422 276 F N -1.381 118.447 119.950 -0.202 0.000 2.731 276 F HA 0.240 4.773 4.527 0.009 0.000 0.298 276 F C 1.570 177.179 175.800 -0.317 0.000 1.106 276 F CA 0.129 58.051 58.000 -0.129 0.000 1.329 276 F CB -0.171 38.791 39.000 -0.064 0.000 1.100 276 F HN 0.024 nan 8.300 nan 0.000 0.592 277 I N -1.024 119.216 120.570 -0.550 0.000 3.744 277 I HA -0.041 4.134 4.170 0.008 0.000 0.240 277 I C 1.996 177.641 176.117 -0.786 0.000 1.096 277 I CA 0.247 60.862 61.300 -1.142 0.000 1.558 277 I CB -0.443 36.741 38.000 -1.360 0.000 1.531 277 I HN -0.127 nan 8.210 nan 0.000 0.459 278 L N 0.985 121.775 121.223 -0.722 0.000 2.079 278 L HA -0.259 4.086 4.340 0.008 0.000 0.210 278 L C 2.074 178.779 176.870 -0.274 0.000 1.081 278 L CA 1.757 56.362 54.840 -0.392 0.000 0.752 278 L CB -0.637 41.160 42.059 -0.436 0.000 0.896 278 L HN 0.396 nan 8.230 nan 0.000 0.433 279 D N -0.334 119.863 120.400 -0.338 0.000 2.084 279 D HA -0.136 4.509 4.640 0.008 0.000 0.194 279 D C -0.548 175.717 176.300 -0.058 0.000 0.990 279 D CA 1.186 55.057 54.000 -0.214 0.000 0.826 279 D CB -0.576 40.084 40.800 -0.233 0.000 0.971 279 D HN 0.076 nan 8.370 nan 0.000 0.453 280 P HA -0.156 nan 4.420 nan 0.000 0.215 280 P C 1.459 178.775 177.300 0.026 0.000 1.163 280 P CA 1.237 64.344 63.100 0.012 0.000 0.894 280 P CB -0.026 31.734 31.700 0.100 0.000 0.791 281 I N -2.544 118.072 120.570 0.076 0.000 2.163 281 I HA -0.263 3.912 4.170 0.008 0.000 0.243 281 I C 2.145 178.299 176.117 0.061 0.000 1.085 281 I CA 1.448 62.790 61.300 0.070 0.000 1.347 281 I CB -0.694 37.304 38.000 -0.002 0.000 1.044 281 I HN -0.163 nan 8.210 nan 0.000 0.408 282 F N 1.064 120.924 119.950 -0.150 0.000 2.250 282 F HA -0.190 4.341 4.527 0.006 0.000 0.301 282 F C 2.600 178.398 175.800 -0.004 0.000 1.077 282 F CA 1.418 59.349 58.000 -0.114 0.000 1.348 282 F CB -0.414 38.523 39.000 -0.106 0.000 1.040 282 F HN -0.038 nan 8.300 nan 0.000 0.509 283 R N -0.350 120.248 120.500 0.163 0.000 2.075 283 R HA -0.042 4.302 4.340 0.008 0.000 0.226 283 R C 2.271 178.613 176.300 0.070 0.000 1.114 283 R CA 0.977 57.132 56.100 0.091 0.000 0.972 283 R CB -0.797 29.524 30.300 0.036 0.000 0.869 283 R HN 0.317 nan 8.270 nan 0.000 0.437 284 L N -0.091 121.169 121.223 0.062 0.000 2.079 284 L HA -0.198 4.146 4.340 0.008 0.000 0.210 284 L C 2.293 179.205 176.870 0.071 0.000 1.081 284 L CA 1.559 56.413 54.840 0.023 0.000 0.752 284 L CB -0.439 41.605 42.059 -0.024 0.000 0.896 284 L HN 0.116 nan 8.230 nan 0.000 0.433 285 F N -0.028 119.858 119.950 -0.106 0.000 2.084 285 F HA -0.239 4.294 4.527 0.009 0.000 0.296 285 F C 2.704 178.436 175.800 -0.114 0.000 1.111 285 F CA 1.767 59.700 58.000 -0.112 0.000 1.224 285 F CB -0.510 38.403 39.000 -0.145 0.000 0.991 285 F HN 0.017 nan 8.300 nan 0.000 0.471 286 T N 0.022 114.649 114.554 0.121 0.000 2.684 286 T HA -0.233 4.122 4.350 0.008 0.000 0.267 286 T C 2.118 176.799 174.700 -0.032 0.000 1.036 286 T CA 1.190 63.311 62.100 0.033 0.000 1.148 286 T CB -0.785 68.117 68.868 0.056 0.000 0.863 286 T HN 0.313 nan 8.240 nan 0.000 0.436 287 A N 1.610 124.415 122.820 -0.024 0.000 1.834 287 A HA -0.067 4.257 4.320 0.008 0.000 0.216 287 A C 2.333 179.852 177.584 -0.108 0.000 1.203 287 A CA 1.587 53.594 52.037 -0.050 0.000 0.621 287 A CB -1.037 17.941 19.000 -0.036 0.000 0.841 287 A HN 0.484 nan 8.150 nan 0.000 0.446 288 I N -0.615 119.874 120.570 -0.135 0.000 2.151 288 I HA -0.294 3.881 4.170 0.008 0.000 0.243 288 I C 2.355 178.239 176.117 -0.388 0.000 1.080 288 I CA 1.407 62.589 61.300 -0.197 0.000 1.339 288 I CB -0.357 37.525 38.000 -0.197 0.000 1.039 288 I HN 0.290 nan 8.210 nan 0.000 0.409 289 M N -0.002 119.359 119.600 -0.398 0.000 2.632 289 M HA -0.109 4.376 4.480 0.008 0.000 0.256 289 M C 0.872 176.727 176.300 -0.741 0.000 1.080 289 M CA 1.344 56.311 55.300 -0.555 0.000 1.084 289 M CB -1.398 31.017 32.600 -0.308 0.000 1.439 289 M HN 0.235 nan 8.290 nan 0.000 0.509 290 N N -0.753 117.627 118.700 -0.532 0.000 2.184 290 N HA 0.140 4.885 4.740 0.008 0.000 0.206 290 N C -0.524 174.873 175.510 -0.188 0.000 1.151 290 N CA 0.006 52.856 53.050 -0.333 0.000 0.878 290 N CB 0.191 38.608 38.487 -0.117 0.000 1.014 290 N HN 0.050 nan 8.380 nan 0.000 0.512 291 F N -0.117 119.823 119.950 -0.017 0.000 3.093 291 F HA -0.286 4.246 4.527 0.009 0.000 0.287 291 F C -0.153 175.639 175.800 -0.014 0.000 0.882 291 F CA 0.292 58.281 58.000 -0.018 0.000 1.063 291 F CB -2.143 36.848 39.000 -0.015 0.000 1.097 291 F HN 0.024 nan 8.300 nan 0.000 0.604 292 K N 1.570 122.017 120.400 0.080 0.000 2.121 292 K HA 0.080 4.404 4.320 0.008 0.000 0.235 292 K C 1.309 177.937 176.600 0.046 0.000 1.200 292 K CA 0.022 56.343 56.287 0.057 0.000 1.115 292 K CB 0.110 32.623 32.500 0.022 0.000 1.474 292 K HN 0.525 nan 8.250 nan 0.000 0.295 293 K N 0.261 120.699 120.400 0.064 0.000 2.362 293 K HA -0.194 4.131 4.320 0.008 0.000 0.202 293 K C 0.521 177.135 176.600 0.023 0.000 1.045 293 K CA 1.244 57.558 56.287 0.044 0.000 0.936 293 K CB 0.109 32.636 32.500 0.044 0.000 0.747 293 K HN 0.263 nan 8.250 nan 0.000 0.467 294 D N 1.635 122.047 120.400 0.020 0.000 2.123 294 D HA -0.094 4.551 4.640 0.008 0.000 0.200 294 D C 1.741 178.044 176.300 0.006 0.000 0.976 294 D CA 1.132 55.139 54.000 0.012 0.000 0.831 294 D CB 0.080 40.887 40.800 0.012 0.000 0.974 294 D HN 0.461 nan 8.370 nan 0.000 0.469 295 E N 0.569 120.771 120.200 0.005 0.000 2.051 295 E HA -0.029 4.326 4.350 0.008 0.000 0.189 295 E C 2.450 179.044 176.600 -0.011 0.000 0.979 295 E CA 0.128 56.526 56.400 -0.003 0.000 0.803 295 E CB 0.096 29.793 29.700 -0.004 0.000 0.761 295 E HN 0.217 nan 8.360 nan 0.000 0.451 296 I N 2.246 122.809 120.570 -0.012 0.000 2.103 296 I HA -0.302 3.873 4.170 0.008 0.000 0.241 296 I C -0.443 175.659 176.117 -0.024 0.000 1.036 296 I CA 1.611 62.897 61.300 -0.023 0.000 1.300 296 I CB -1.765 36.227 38.000 -0.014 0.000 1.010 296 I HN 0.167 nan 8.210 nan 0.000 0.406 297 P HA -0.130 nan 4.420 nan 0.000 0.215 297 P C 1.958 179.249 177.300 -0.016 0.000 1.157 297 P CA 1.707 64.799 63.100 -0.013 0.000 0.868 297 P CB -0.133 31.564 31.700 -0.005 0.000 0.788 298 V N 0.541 120.447 119.914 -0.013 0.000 2.237 298 V HA -0.228 3.897 4.120 0.008 0.000 0.245 298 V C 2.802 178.884 176.094 -0.021 0.000 1.046 298 V CA 1.811 64.103 62.300 -0.013 0.000 1.007 298 V CB -1.543 30.275 31.823 -0.008 0.000 0.638 298 V HN 0.011 nan 8.190 nan 0.000 0.445 299 L N -0.566 120.641 121.223 -0.028 0.000 2.013 299 L HA -0.192 4.153 4.340 0.008 0.000 0.212 299 L C 2.204 179.034 176.870 -0.066 0.000 1.073 299 L CA 1.942 56.756 54.840 -0.043 0.000 0.753 299 L CB -0.722 41.308 42.059 -0.048 0.000 0.890 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.238 120.945 121.223 -0.066 0.000 1.994 300 L HA -0.226 4.118 4.340 0.008 0.000 0.208 300 L C 2.641 179.479 176.870 -0.053 0.000 1.071 300 L CA 2.093 56.886 54.840 -0.078 0.000 0.745 300 L CB -0.884 41.141 42.059 -0.058 0.000 0.892 300 L HN 0.488 nan 8.230 nan 0.000 0.431 301 E N -0.530 119.652 120.200 -0.029 0.000 2.160 301 E HA -0.304 4.051 4.350 0.008 0.000 0.195 301 E C 2.203 178.799 176.600 -0.008 0.000 0.991 301 E CA 1.231 57.623 56.400 -0.013 0.000 0.810 301 E CB 0.030 29.726 29.700 -0.007 0.000 0.742 301 E HN 0.376 nan 8.360 nan 0.000 0.466 302 K N 0.148 120.540 120.400 -0.014 0.000 2.097 302 K HA -0.074 4.251 4.320 0.008 0.000 0.205 302 K C 1.750 178.358 176.600 0.013 0.000 1.050 302 K CA 0.901 57.189 56.287 0.002 0.000 0.938 302 K CB 0.071 32.571 32.500 0.001 0.000 0.718 302 K HN 0.183 nan 8.250 nan 0.000 0.442 303 L N 0.489 121.700 121.223 -0.019 0.000 2.611 303 L HA 0.112 4.457 4.340 0.008 0.000 0.229 303 L C 0.135 177.025 176.870 0.034 0.000 1.137 303 L CA 0.038 54.876 54.840 -0.003 0.000 0.901 303 L CB -0.150 41.803 42.059 -0.177 0.000 1.098 303 L HN 0.300 nan 8.230 nan 0.000 0.456 304 E N 1.333 121.545 120.200 0.019 0.000 2.389 304 E HA -0.237 4.118 4.350 0.008 0.000 0.243 304 E C -0.240 176.380 176.600 0.035 0.000 1.154 304 E CA 0.054 56.471 56.400 0.029 0.000 0.723 304 E CB -0.876 28.849 29.700 0.042 0.000 1.261 304 E HN 0.482 nan 8.360 nan 0.000 0.390 305 I N 1.977 122.553 120.570 0.010 0.000 2.306 305 I HA 0.163 4.338 4.170 0.008 0.000 0.288 305 I C 0.453 176.576 176.117 0.009 0.000 1.036 305 I CA -0.918 60.392 61.300 0.017 0.000 1.221 305 I CB 1.060 39.046 38.000 -0.024 0.000 1.385 305 I HN 0.055 nan 8.210 nan 0.000 0.472 306 V N 6.191 126.118 119.914 0.022 0.000 2.353 306 V HA 0.420 4.545 4.120 0.008 0.000 0.264 306 V C 0.118 176.222 176.094 0.017 0.000 1.049 306 V CA -0.656 61.654 62.300 0.016 0.000 0.896 306 V CB 0.497 32.330 31.823 0.018 0.000 1.025 306 V HN 0.495 nan 8.190 nan 0.000 0.475 307 L N 4.369 125.598 121.223 0.009 0.000 2.461 307 L HA 0.382 4.727 4.340 0.008 0.000 0.272 307 L C 0.862 177.739 176.870 0.011 0.000 1.197 307 L CA 0.076 54.922 54.840 0.010 0.000 0.836 307 L CB 0.535 42.596 42.059 0.003 0.000 1.105 307 L HN 0.569 nan 8.230 nan 0.000 0.477 308 K N 2.329 122.737 120.400 0.013 0.000 2.354 308 K HA 0.250 4.574 4.320 0.008 0.000 0.257 308 K C 0.651 177.257 176.600 0.010 0.000 1.062 308 K CA 0.542 56.837 56.287 0.013 0.000 0.971 308 K CB 0.984 33.493 32.500 0.016 0.000 1.305 308 K HN 0.842 nan 8.250 nan 0.000 0.449 309 G N 4.563 113.368 108.800 0.008 0.000 2.952 309 G HA2 -0.444 3.521 3.960 0.008 0.000 0.346 309 G HA3 -0.444 3.521 3.960 0.008 0.000 0.346 309 G C 0.958 175.862 174.900 0.005 0.000 1.191 309 G CA 0.823 45.927 45.100 0.006 0.000 0.961 309 G HN 0.677 nan 8.290 nan 0.000 0.588 310 D N 1.397 121.800 120.400 0.006 0.000 2.158 310 D HA -0.084 4.561 4.640 0.008 0.000 0.197 310 D C 2.331 178.635 176.300 0.005 0.000 0.995 310 D CA 1.658 55.661 54.000 0.005 0.000 0.846 310 D CB -0.321 40.483 40.800 0.006 0.000 0.941 310 D HN 0.790 nan 8.370 nan 0.000 0.456 311 E N 0.848 121.052 120.200 0.007 0.000 2.204 311 E HA -0.135 4.219 4.350 0.008 0.000 0.195 311 E C 1.969 178.572 176.600 0.004 0.000 0.990 311 E CA 0.523 56.927 56.400 0.007 0.000 0.821 311 E CB -0.025 29.681 29.700 0.010 0.000 0.750 311 E HN 0.319 nan 8.360 nan 0.000 0.477 312 K N 1.107 121.509 120.400 0.004 0.000 2.113 312 K HA -0.209 4.116 4.320 0.008 0.000 0.208 312 K C 1.773 178.376 176.600 0.004 0.000 1.047 312 K CA 1.804 58.093 56.287 0.003 0.000 0.928 312 K CB -0.204 32.298 32.500 0.003 0.000 0.716 312 K HN 0.252 nan 8.250 nan 0.000 0.446 313 D N 0.231 120.633 120.400 0.004 0.000 2.323 313 D HA -0.055 4.590 4.640 0.008 0.000 0.209 313 D C 0.496 176.800 176.300 0.006 0.000 0.973 313 D CA 0.176 54.178 54.000 0.003 0.000 0.874 313 D CB -0.142 40.657 40.800 -0.001 0.000 0.930 313 D HN 0.016 nan 8.370 nan 0.000 0.521 314 L N 1.022 122.250 121.223 0.008 0.000 2.499 314 L HA 0.181 4.526 4.340 0.008 0.000 0.281 314 L C 0.633 177.524 176.870 0.034 0.000 1.234 314 L CA 0.391 55.239 54.840 0.013 0.000 0.839 314 L CB 0.210 42.272 42.059 0.005 0.000 1.104 314 L HN 0.321 nan 8.230 nan 0.000 0.500 315 E N 0.707 120.944 120.200 0.061 0.000 2.412 315 E HA 0.664 5.019 4.350 0.008 0.000 0.279 315 E C -0.127 176.607 176.600 0.223 0.000 0.984 315 E CA -0.519 55.974 56.400 0.155 0.000 0.788 315 E CB 1.738 31.550 29.700 0.186 0.000 1.277 315 E HN 0.713 nan 8.360 nan 0.000 0.455 316 G N 1.808 110.806 108.800 0.331 0.000 2.525 316 G HA2 -0.350 3.615 3.960 0.008 0.000 0.248 316 G HA3 -0.350 3.615 3.960 0.008 0.000 0.248 316 G C 0.494 175.378 174.900 -0.027 0.000 1.238 316 G CA 0.255 45.481 45.100 0.209 0.000 0.926 316 G HN 0.593 nan 8.290 nan 0.000 0.574 317 K N 0.231 120.610 120.400 -0.035 0.000 2.032 317 K HA 0.000 4.325 4.320 0.008 0.000 0.209 317 K C 3.154 179.674 176.600 -0.133 0.000 1.048 317 K CA 2.099 58.312 56.287 -0.123 0.000 0.927 317 K CB -0.531 31.934 32.500 -0.058 0.000 0.712 317 K HN 0.858 nan 8.250 nan 0.000 0.441 318 A N 1.672 124.462 122.820 -0.051 0.000 1.915 318 A HA -0.253 4.072 4.320 0.008 0.000 0.220 318 A C 2.113 179.663 177.584 -0.056 0.000 1.198 318 A CA 1.866 53.880 52.037 -0.038 0.000 0.647 318 A CB -0.758 18.241 19.000 -0.002 0.000 0.825 318 A HN 0.288 nan 8.150 nan 0.000 0.456 319 L N -1.029 120.163 121.223 -0.052 0.000 1.973 319 L HA -0.070 4.275 4.340 0.008 0.000 0.208 319 L C 2.269 179.071 176.870 -0.114 0.000 1.073 319 L CA 2.260 57.066 54.840 -0.058 0.000 0.746 319 L CB -0.889 41.150 42.059 -0.033 0.000 0.891 319 L HN 0.359 nan 8.230 nan 0.000 0.433 320 L N 0.497 121.604 121.223 -0.193 0.000 2.034 320 L HA -0.310 4.035 4.340 0.008 0.000 0.217 320 L C 2.620 179.344 176.870 -0.243 0.000 1.077 320 L CA 2.665 57.328 54.840 -0.294 0.000 0.769 320 L CB -1.012 40.746 42.059 -0.502 0.000 0.890 320 L HN 0.565 nan 8.230 nan 0.000 0.435 321 K N -1.287 118.946 120.400 -0.278 0.000 2.074 321 K HA -0.167 4.158 4.320 0.008 0.000 0.209 321 K C 1.697 178.290 176.600 -0.012 0.000 1.048 321 K CA 2.222 58.399 56.287 -0.182 0.000 0.926 321 K CB -0.263 32.138 32.500 -0.166 0.000 0.713 321 K HN 0.331 nan 8.250 nan 0.000 0.444 322 V N 0.222 120.123 119.914 -0.021 0.000 2.488 322 V HA -0.146 3.979 4.120 0.008 0.000 0.246 322 V C 2.261 178.380 176.094 0.042 0.000 1.046 322 V CA 1.229 63.543 62.300 0.023 0.000 1.053 322 V CB 0.085 31.913 31.823 0.009 0.000 0.679 322 V HN 0.178 nan 8.190 nan 0.000 0.458 323 V N -0.445 119.474 119.914 0.007 0.000 2.261 323 V HA -0.287 3.837 4.120 0.008 0.000 0.246 323 V C 2.563 178.713 176.094 0.094 0.000 1.047 323 V CA 1.925 64.233 62.300 0.013 0.000 1.015 323 V CB -0.671 31.118 31.823 -0.057 0.000 0.642 323 V HN 0.387 nan 8.190 nan 0.000 0.446 324 M N -0.340 119.320 119.600 0.100 0.000 2.149 324 M HA -0.140 4.344 4.480 0.008 0.000 0.261 324 M C 2.348 178.833 176.300 0.307 0.000 1.064 324 M CA 1.702 57.122 55.300 0.200 0.000 1.102 324 M CB -1.136 31.545 32.600 0.136 0.000 1.369 324 M HN 0.352 nan 8.290 nan 0.000 0.408 325 R N -0.259 120.392 120.500 0.252 0.000 2.092 325 R HA -0.132 4.213 4.340 0.008 0.000 0.231 325 R C 2.219 178.631 176.300 0.186 0.000 1.119 325 R CA 1.154 57.391 56.100 0.229 0.000 0.970 325 R CB -0.317 30.084 30.300 0.168 0.000 0.864 325 R HN 0.307 nan 8.270 nan 0.000 0.440 326 K N 0.004 120.505 120.400 0.168 0.000 2.116 326 K HA -0.090 4.235 4.320 0.008 0.000 0.203 326 K C 1.763 178.489 176.600 0.209 0.000 1.052 326 K CA 0.748 57.124 56.287 0.148 0.000 0.952 326 K CB -0.125 32.442 32.500 0.112 0.000 0.729 326 K HN -0.049 nan 8.250 nan 0.000 0.446 327 F N 1.080 121.062 119.950 0.054 0.000 2.000 327 F HA 0.036 4.567 4.527 0.007 0.000 0.295 327 F C 0.366 176.201 175.800 0.057 0.000 1.159 327 F CA 1.270 59.295 58.000 0.042 0.000 1.171 327 F CB -0.049 38.970 39.000 0.032 0.000 0.971 327 F HN -0.161 nan 8.300 nan 0.000 0.479 328 L N 1.794 123.036 121.223 0.031 0.000 2.435 328 L HA 0.321 4.666 4.340 0.008 0.000 0.253 328 L C -2.461 174.512 176.870 0.171 0.000 1.087 328 L CA -1.917 52.897 54.840 -0.043 0.000 0.950 328 L CB 0.828 42.876 42.059 -0.019 0.000 1.304 328 L HN -0.073 nan 8.230 nan 0.000 0.453 329 P HA -0.031 nan 4.420 nan 0.000 0.258 329 P C 0.901 178.262 177.300 0.101 0.000 1.214 329 P CA 0.222 63.390 63.100 0.113 0.000 0.872 329 P CB 1.060 32.799 31.700 0.065 0.000 0.890 330 A N 5.339 128.237 122.820 0.131 0.000 1.940 330 A HA -0.293 4.032 4.320 0.008 0.000 0.221 330 A C 2.194 179.787 177.584 0.014 0.000 1.190 330 A CA 2.409 54.483 52.037 0.062 0.000 0.647 330 A CB -1.435 17.584 19.000 0.031 0.000 0.821 330 A HN 0.472 nan 8.150 nan 0.000 0.457 331 A N 0.022 122.857 122.820 0.025 0.000 1.883 331 A HA -0.239 4.086 4.320 0.008 0.000 0.217 331 A C 1.719 179.302 177.584 -0.002 0.000 1.186 331 A CA 2.153 54.196 52.037 0.009 0.000 0.624 331 A CB -0.842 18.172 19.000 0.024 0.000 0.822 331 A HN 0.571 nan 8.150 nan 0.000 0.444 332 D N -0.161 120.241 120.400 0.005 0.000 2.178 332 D HA 0.091 4.736 4.640 0.008 0.000 0.202 332 D C 2.161 178.448 176.300 -0.021 0.000 0.974 332 D CA 1.231 55.226 54.000 -0.009 0.000 0.841 332 D CB -0.180 40.617 40.800 -0.005 0.000 0.953 332 D HN 0.464 nan 8.370 nan 0.000 0.478 333 A N 0.502 123.312 122.820 -0.017 0.000 1.908 333 A HA -0.144 4.181 4.320 0.008 0.000 0.218 333 A C 2.120 179.671 177.584 -0.055 0.000 1.181 333 A CA 1.052 53.073 52.037 -0.027 0.000 0.627 333 A CB -0.742 18.244 19.000 -0.023 0.000 0.818 333 A HN 0.200 nan 8.150 nan 0.000 0.445 334 L N -0.842 120.343 121.223 -0.064 0.000 2.072 334 L HA -0.077 4.267 4.340 0.008 0.000 0.205 334 L C 2.405 179.237 176.870 -0.063 0.000 1.079 334 L CA 0.741 55.535 54.840 -0.077 0.000 0.752 334 L CB -0.578 41.436 42.059 -0.075 0.000 0.906 334 L HN 0.316 nan 8.230 nan 0.000 0.436 335 L N -0.093 121.099 121.223 -0.052 0.000 2.265 335 L HA -0.186 4.158 4.340 0.008 0.000 0.215 335 L C 2.594 179.415 176.870 -0.083 0.000 1.117 335 L CA 0.982 55.786 54.840 -0.059 0.000 0.782 335 L CB -0.406 41.627 42.059 -0.044 0.000 0.914 335 L HN 0.406 nan 8.230 nan 0.000 0.441 336 E N 0.517 120.677 120.200 -0.066 0.000 2.046 336 E HA -0.188 4.167 4.350 0.008 0.000 0.190 336 E C 2.327 178.894 176.600 -0.055 0.000 0.982 336 E CA 0.901 57.261 56.400 -0.066 0.000 0.800 336 E CB 0.063 29.744 29.700 -0.032 0.000 0.756 336 E HN 0.453 nan 8.360 nan 0.000 0.449 337 M N 0.378 119.966 119.600 -0.019 0.000 2.200 337 M HA -0.079 4.406 4.480 0.008 0.000 0.265 337 M C 2.332 178.632 176.300 -0.000 0.000 1.066 337 M CA 0.952 56.285 55.300 0.056 0.000 1.127 337 M CB -0.178 32.411 32.600 -0.018 0.000 1.379 337 M HN 0.176 nan 8.290 nan 0.000 0.420 338 I N -0.224 120.307 120.570 -0.066 0.000 2.163 338 I HA -0.265 3.909 4.170 0.008 0.000 0.243 338 I C 2.306 178.328 176.117 -0.159 0.000 1.085 338 I CA 1.240 62.487 61.300 -0.088 0.000 1.347 338 I CB -0.441 37.509 38.000 -0.084 0.000 1.044 338 I HN 0.077 nan 8.210 nan 0.000 0.408 339 V N 0.906 120.668 119.914 -0.253 0.000 2.323 339 V HA -0.213 3.912 4.120 0.008 0.000 0.244 339 V C 2.208 178.029 176.094 -0.455 0.000 1.041 339 V CA 1.525 63.533 62.300 -0.487 0.000 1.025 339 V CB -0.521 30.908 31.823 -0.657 0.000 0.656 339 V HN 0.364 nan 8.190 nan 0.000 0.451 340 L N -0.882 120.121 121.223 -0.368 0.000 2.478 340 L HA 0.013 4.358 4.340 0.008 0.000 0.223 340 L C 2.132 178.597 176.870 -0.675 0.000 1.140 340 L CA 0.971 55.517 54.840 -0.490 0.000 0.842 340 L CB -0.438 41.314 42.059 -0.512 0.000 0.953 340 L HN 0.476 nan 8.230 nan 0.000 0.452 341 H N -1.816 117.184 119.070 -0.118 0.000 3.436 341 H HA 0.323 4.885 4.556 0.009 0.000 0.244 341 H C 0.619 175.905 175.328 -0.070 0.000 1.009 341 H CA -0.282 55.716 56.048 -0.083 0.000 1.129 341 H CB 0.975 30.686 29.762 -0.084 0.000 1.473 341 H HN 0.106 nan 8.280 nan 0.000 0.510 342 L N 5.136 126.367 121.223 0.013 0.000 2.380 342 L HA 0.195 4.540 4.340 0.008 0.000 0.273 342 L C -1.965 174.902 176.870 -0.005 0.000 1.138 342 L CA -1.660 53.181 54.840 0.001 0.000 0.832 342 L CB 0.848 42.894 42.059 -0.021 0.000 1.124 342 L HN -0.100 nan 8.230 nan 0.000 0.454 343 P HA 0.049 nan 4.420 nan 0.000 0.271 343 P C -0.550 176.763 177.300 0.021 0.000 1.218 343 P CA -0.373 62.755 63.100 0.047 0.000 0.780 343 P CB 1.108 32.876 31.700 0.113 0.000 0.901 344 S N 2.459 118.171 115.700 0.020 0.000 2.645 344 S HA 0.315 4.790 4.470 0.008 0.000 0.266 344 S C -1.670 172.927 174.600 -0.006 0.000 1.258 344 S CA -1.296 56.914 58.200 0.018 0.000 0.990 344 S CB -0.043 63.181 63.200 0.041 0.000 0.967 344 S HN 0.390 nan 8.310 nan 0.000 0.556 345 P HA 0.096 nan 4.420 nan 0.000 0.269 345 P C 0.510 177.786 177.300 -0.040 0.000 1.376 345 P CA 0.118 63.191 63.100 -0.045 0.000 0.775 345 P CB -0.214 31.442 31.700 -0.074 0.000 1.345 346 V N -1.025 118.872 119.914 -0.029 0.000 3.090 346 V HA -0.053 4.072 4.120 0.008 0.000 0.237 346 V C 2.397 178.468 176.094 -0.038 0.000 1.209 346 V CA 1.447 63.732 62.300 -0.025 0.000 1.209 346 V CB -1.007 30.814 31.823 -0.004 0.000 0.971 346 V HN 0.095 nan 8.190 nan 0.000 0.477 347 T N 1.150 115.693 114.554 -0.018 0.000 2.777 347 T HA -0.061 4.293 4.350 0.008 0.000 0.266 347 T C 1.990 176.623 174.700 -0.111 0.000 1.040 347 T CA 1.632 63.744 62.100 0.021 0.000 1.141 347 T CB -0.296 68.625 68.868 0.089 0.000 0.868 347 T HN 0.473 nan 8.240 nan 0.000 0.444 348 A N 1.568 124.223 122.820 -0.274 0.000 1.930 348 A HA -0.031 4.293 4.320 0.008 0.000 0.215 348 A C 2.304 179.366 177.584 -0.869 0.000 1.176 348 A CA 0.788 52.311 52.037 -0.856 0.000 0.632 348 A CB -0.516 18.289 19.000 -0.325 0.000 0.819 348 A HN 0.483 nan 8.150 nan 0.000 0.445 349 Q N -0.420 119.173 119.800 -0.344 0.000 2.291 349 Q HA -0.073 4.272 4.340 0.008 0.000 0.206 349 Q C 2.211 178.094 176.000 -0.195 0.000 0.976 349 Q CA 0.971 56.667 55.803 -0.179 0.000 0.875 349 Q CB -0.332 28.407 28.738 0.003 0.000 0.927 349 Q HN 0.692 nan 8.270 nan 0.000 0.450 350 A N 0.867 123.556 122.820 -0.218 0.000 1.969 350 A HA -0.165 4.160 4.320 0.008 0.000 0.218 350 A C 1.559 179.129 177.584 -0.024 0.000 1.169 350 A CA 1.194 53.181 52.037 -0.084 0.000 0.635 350 A CB -0.421 18.574 19.000 -0.009 0.000 0.810 350 A HN 0.600 nan 8.150 nan 0.000 0.445 351 Y N -3.805 116.497 120.300 0.004 0.000 2.481 351 Y HA 0.561 5.116 4.550 0.008 0.000 0.247 351 Y C 1.676 177.570 175.900 -0.010 0.000 1.151 351 Y CA -0.171 57.926 58.100 -0.004 0.000 1.238 351 Y CB -0.033 38.425 38.460 -0.002 0.000 1.179 351 Y HN 0.075 nan 8.280 nan 0.000 0.524 352 R N 0.203 120.613 120.500 -0.150 0.000 2.279 352 R HA 0.357 4.702 4.340 0.008 0.000 0.195 352 R C 2.232 178.466 176.300 -0.111 0.000 0.905 352 R CA 0.751 56.803 56.100 -0.081 0.000 1.044 352 R CB 0.086 30.290 30.300 -0.160 0.000 1.056 352 R HN 0.367 nan 8.270 nan 0.000 0.535 353 A N 1.696 124.441 122.820 -0.125 0.000 1.852 353 A HA -0.276 4.049 4.320 0.008 0.000 0.217 353 A C 1.740 179.282 177.584 -0.069 0.000 1.215 353 A CA 1.902 53.859 52.037 -0.133 0.000 0.641 353 A CB -0.650 18.291 19.000 -0.100 0.000 0.838 353 A HN 0.386 nan 8.150 nan 0.000 0.450 354 E N -1.046 119.141 120.200 -0.021 0.000 2.114 354 E HA -0.317 4.037 4.350 0.008 0.000 0.199 354 E C 2.272 178.876 176.600 0.006 0.000 1.008 354 E CA 1.637 58.047 56.400 0.017 0.000 0.810 354 E CB -0.209 29.503 29.700 0.018 0.000 0.739 354 E HN 0.788 nan 8.360 nan 0.000 0.456 355 Q N 0.186 119.976 119.800 -0.015 0.000 2.167 355 Q HA -0.097 4.248 4.340 0.008 0.000 0.202 355 Q C 1.925 177.887 176.000 -0.063 0.000 0.970 355 Q CA 0.756 56.542 55.803 -0.027 0.000 0.855 355 Q CB 0.180 28.910 28.738 -0.013 0.000 0.911 355 Q HN 0.318 nan 8.270 nan 0.000 0.438 356 L N -0.532 120.623 121.223 -0.113 0.000 2.567 356 L HA 0.099 4.444 4.340 0.008 0.000 0.225 356 L C -0.008 176.815 176.870 -0.078 0.000 1.119 356 L CA -0.176 54.549 54.840 -0.192 0.000 0.871 356 L CB 0.279 42.067 42.059 -0.452 0.000 1.036 356 L HN 0.150 nan 8.230 nan 0.000 0.459 357 Y N 0.363 120.573 120.300 -0.151 0.000 2.328 357 Y HA 0.232 4.787 4.550 0.008 0.000 0.337 357 Y C 0.724 176.581 175.900 -0.072 0.000 0.966 357 Y CA -1.093 56.951 58.100 -0.094 0.000 1.136 357 Y CB 1.270 39.677 38.460 -0.089 0.000 1.170 357 Y HN -0.095 nan 8.280 nan 0.000 0.470 358 E N 3.009 122.915 120.200 -0.491 0.000 2.320 358 E HA 0.274 4.628 4.350 0.008 0.000 0.189 358 E C 0.251 176.463 176.600 -0.646 0.000 1.100 358 E CA 0.113 56.279 56.400 -0.390 0.000 1.009 358 E CB -0.224 29.351 29.700 -0.209 0.000 1.145 358 E HN 0.847 nan 8.360 nan 0.000 0.454 359 G N -0.058 108.123 108.800 -1.032 0.000 3.175 359 G HA2 0.451 4.415 3.960 0.008 0.000 0.255 359 G HA3 0.451 4.415 3.960 0.008 0.000 0.255 359 G C -2.592 172.148 174.900 -0.268 0.000 1.352 359 G CA -1.508 42.977 45.100 -1.025 0.000 1.037 359 G HN -0.038 nan 8.290 nan 0.000 0.556 360 P HA 0.263 nan 4.420 nan 0.000 0.267 360 P C 0.534 177.899 177.300 0.108 0.000 1.209 360 P CA 0.202 63.316 63.100 0.023 0.000 0.763 360 P CB 1.296 33.020 31.700 0.039 0.000 0.816 361 A N 3.341 126.196 122.820 0.057 0.000 2.272 361 A HA -0.158 4.167 4.320 0.008 0.000 0.213 361 A C 0.916 178.513 177.584 0.021 0.000 1.183 361 A CA 1.658 53.725 52.037 0.049 0.000 0.719 361 A CB -0.894 18.120 19.000 0.024 0.000 0.771 361 A HN 0.633 nan 8.150 nan 0.000 0.484 362 D N -1.875 118.538 120.400 0.021 0.000 2.500 362 D HA 0.164 4.809 4.640 0.008 0.000 0.217 362 D C 0.242 176.544 176.300 0.004 0.000 1.159 362 D CA -0.150 53.853 54.000 0.005 0.000 0.828 362 D CB -0.358 40.447 40.800 0.008 0.000 1.039 362 D HN 0.304 nan 8.370 nan 0.000 0.512 363 D N 0.362 120.777 120.400 0.025 0.000 2.443 363 D HA 0.153 4.798 4.640 0.008 0.000 0.234 363 D C 1.626 177.903 176.300 -0.038 0.000 1.172 363 D CA 0.620 54.642 54.000 0.037 0.000 0.878 363 D CB 1.033 41.922 40.800 0.149 0.000 1.204 363 D HN 0.077 nan 8.370 nan 0.000 0.453 364 A N 3.169 125.980 122.820 -0.016 0.000 1.986 364 A HA -0.272 4.053 4.320 0.008 0.000 0.220 364 A C 1.835 179.365 177.584 -0.090 0.000 1.171 364 A CA 1.999 54.014 52.037 -0.036 0.000 0.640 364 A CB -0.649 18.347 19.000 -0.005 0.000 0.811 364 A HN 0.750 nan 8.150 nan 0.000 0.451 365 N N -1.034 117.569 118.700 -0.161 0.000 2.197 365 N HA -0.090 4.654 4.740 0.008 0.000 0.184 365 N C 1.691 176.948 175.510 -0.423 0.000 1.030 365 N CA 1.194 54.081 53.050 -0.272 0.000 0.851 365 N CB -0.760 37.539 38.487 -0.315 0.000 1.003 365 N HN 0.524 nan 8.380 nan 0.000 0.430 366 C N 0.977 119.880 119.300 -0.662 0.000 2.396 366 C HA -0.097 4.368 4.460 0.008 0.000 0.277 366 C C 2.358 177.211 174.990 -0.229 0.000 1.231 366 C CA 0.732 59.439 59.018 -0.518 0.000 1.775 366 C CB -1.292 26.271 27.740 -0.295 0.000 2.036 366 C HN 0.389 nan 8.230 nan 0.000 0.484 367 I N 1.310 121.782 120.570 -0.163 0.000 2.163 367 I HA -0.131 4.044 4.170 0.008 0.000 0.240 367 I C 2.899 178.966 176.117 -0.083 0.000 1.081 367 I CA 1.638 62.883 61.300 -0.091 0.000 1.353 367 I CB -0.747 37.216 38.000 -0.062 0.000 1.054 367 I HN 0.375 nan 8.210 nan 0.000 0.407 368 A N 1.019 123.782 122.820 -0.095 0.000 2.076 368 A HA -0.165 4.160 4.320 0.008 0.000 0.220 368 A C 2.212 179.766 177.584 -0.049 0.000 1.160 368 A CA 1.337 53.337 52.037 -0.063 0.000 0.653 368 A CB -0.596 18.367 19.000 -0.060 0.000 0.801 368 A HN 0.361 nan 8.150 nan 0.000 0.455 369 I N -0.541 119.979 120.570 -0.083 0.000 2.235 369 I HA -0.155 4.019 4.170 0.008 0.000 0.241 369 I C 2.243 178.346 176.117 -0.024 0.000 1.085 369 I CA 1.381 62.659 61.300 -0.038 0.000 1.378 369 I CB -1.359 36.571 38.000 -0.117 0.000 1.076 369 I HN 0.320 nan 8.210 nan 0.000 0.415 370 K N 1.066 121.433 120.400 -0.054 0.000 2.044 370 K HA -0.175 4.149 4.320 0.008 0.000 0.210 370 K C 1.480 178.063 176.600 -0.028 0.000 1.049 370 K CA 1.568 57.829 56.287 -0.043 0.000 0.927 370 K CB -0.156 32.322 32.500 -0.037 0.000 0.713 370 K HN 0.346 nan 8.250 nan 0.000 0.443 371 N N 0.386 119.072 118.700 -0.024 0.000 2.449 371 N HA -0.056 4.689 4.740 0.008 0.000 0.191 371 N C 0.175 175.678 175.510 -0.011 0.000 1.161 371 N CA 0.385 53.426 53.050 -0.016 0.000 0.863 371 N CB -0.193 38.284 38.487 -0.017 0.000 0.980 371 N HN 0.202 nan 8.380 nan 0.000 0.458 372 C N 2.406 121.704 119.300 -0.003 0.000 3.860 372 C HA -0.233 4.232 4.460 0.008 0.000 0.292 372 C C 0.245 175.232 174.990 -0.006 0.000 1.445 372 C CA -0.363 58.657 59.018 0.004 0.000 2.040 372 C CB -2.487 25.250 27.740 -0.006 0.000 1.314 372 C HN 0.390 nan 8.230 nan 0.000 0.678 373 D N 1.611 122.007 120.400 -0.007 0.000 2.349 373 D HA 0.180 4.825 4.640 0.008 0.000 0.266 373 D C -0.301 175.994 176.300 -0.009 0.000 1.293 373 D CA -1.759 52.235 54.000 -0.010 0.000 0.926 373 D CB 0.808 41.599 40.800 -0.014 0.000 1.090 373 D HN 0.454 nan 8.370 nan 0.000 0.502 374 P HA -0.043 nan 4.420 nan 0.000 0.245 374 P C 0.534 177.826 177.300 -0.012 0.000 1.212 374 P CA 0.338 63.429 63.100 -0.014 0.000 0.774 374 P CB 0.473 32.161 31.700 -0.019 0.000 0.999 375 K N -0.452 119.942 120.400 -0.011 0.000 2.308 375 K HA 0.229 4.554 4.320 0.008 0.000 0.197 375 K C 1.412 178.007 176.600 -0.009 0.000 1.049 375 K CA 0.130 56.410 56.287 -0.010 0.000 0.991 375 K CB -0.103 32.391 32.500 -0.010 0.000 0.836 375 K HN 0.065 nan 8.250 nan 0.000 0.500 376 A N 2.149 124.964 122.820 -0.009 0.000 2.366 376 A HA 0.038 4.363 4.320 0.008 0.000 0.250 376 A C -0.107 177.475 177.584 -0.004 0.000 1.099 376 A CA -0.180 51.851 52.037 -0.009 0.000 0.794 376 A CB 0.017 19.007 19.000 -0.016 0.000 1.056 376 A HN 0.150 nan 8.150 nan 0.000 0.499 377 D N 0.000 120.399 120.400 -0.002 0.000 2.488 377 D HA 0.115 4.759 4.640 0.008 0.000 0.238 377 D C 0.273 176.581 176.300 0.014 0.000 1.138 377 D CA 0.236 54.240 54.000 0.006 0.000 0.873 377 D CB 0.345 41.152 40.800 0.012 0.000 1.183 377 D HN 0.396 nan 8.370 nan 0.000 0.458 378 L N 2.955 124.189 121.223 0.018 0.000 2.573 378 L HA -0.083 4.262 4.340 0.008 0.000 0.290 378 L C -0.010 176.895 176.870 0.058 0.000 1.247 378 L CA 0.892 55.750 54.840 0.030 0.000 0.876 378 L CB 0.118 42.190 42.059 0.022 0.000 1.123 378 L HN 0.313 nan 8.230 nan 0.000 0.505 379 M N 7.250 126.902 119.600 0.086 0.000 2.151 379 M HA 0.283 4.768 4.480 0.008 0.000 0.229 379 M C -1.157 175.270 176.300 0.211 0.000 1.029 379 M CA -0.111 55.278 55.300 0.148 0.000 0.765 379 M CB 0.662 33.344 32.600 0.136 0.000 1.969 379 M HN 0.513 nan 8.290 nan 0.000 0.352 380 L N 1.604 122.930 121.223 0.172 0.000 2.282 380 L HA 0.501 4.845 4.340 0.008 0.000 0.288 380 L C -1.403 175.612 176.870 0.243 0.000 1.033 380 L CA -0.688 54.252 54.840 0.166 0.000 0.807 380 L CB 1.403 43.502 42.059 0.066 0.000 1.209 380 L HN 0.516 nan 8.230 nan 0.000 0.423 381 Y N 4.672 125.084 120.300 0.187 0.000 2.335 381 Y HA 0.425 4.980 4.550 0.008 0.000 0.339 381 Y C -0.573 175.397 175.900 0.118 0.000 0.987 381 Y CA -0.513 57.713 58.100 0.210 0.000 1.140 381 Y CB 1.421 40.116 38.460 0.393 0.000 1.173 381 Y HN 0.274 nan 8.280 nan 0.000 0.486 382 V N 6.972 126.684 119.914 -0.336 0.000 2.334 382 V HA 0.081 4.205 4.120 0.008 0.000 0.267 382 V C 0.709 176.656 176.094 -0.245 0.000 1.040 382 V CA 0.435 62.626 62.300 -0.182 0.000 0.866 382 V CB 0.536 32.301 31.823 -0.096 0.000 1.019 382 V HN 1.002 nan 8.190 nan 0.000 0.468 383 S N 4.017 119.774 115.700 0.096 0.000 2.414 383 S HA 0.068 4.543 4.470 0.008 0.000 0.227 383 S C 0.538 175.303 174.600 0.274 0.000 1.022 383 S CA 0.272 58.661 58.200 0.314 0.000 0.958 383 S CB -0.066 63.438 63.200 0.508 0.000 0.797 383 S HN 0.873 nan 8.310 nan 0.000 0.493 384 K N -0.681 119.869 120.400 0.249 0.000 2.625 384 K HA 0.460 4.784 4.320 0.008 0.000 0.284 384 K C -1.503 175.189 176.600 0.154 0.000 0.984 384 K CA -0.917 55.456 56.287 0.143 0.000 0.865 384 K CB 0.648 33.223 32.500 0.125 0.000 1.468 384 K HN -0.117 nan 8.250 nan 0.000 0.407 385 M N 2.419 122.065 119.600 0.078 0.000 2.209 385 M HA 0.352 4.837 4.480 0.008 0.000 0.355 385 M C -0.768 175.674 176.300 0.237 0.000 1.171 385 M CA -0.940 54.456 55.300 0.159 0.000 1.069 385 M CB 1.178 33.815 32.600 0.061 0.000 1.622 385 M HN 0.601 nan 8.290 nan 0.000 0.459 386 V N 6.425 126.483 119.914 0.240 0.000 2.513 386 V HA 0.598 4.722 4.120 0.008 0.000 0.299 386 V C -2.457 173.581 176.094 -0.094 0.000 1.035 386 V CA -2.217 60.141 62.300 0.096 0.000 0.889 386 V CB 2.460 34.285 31.823 0.003 0.000 0.988 386 V HN 0.595 nan 8.190 nan 0.000 0.440 387 P HA 0.250 nan 4.420 nan 0.000 0.271 387 P C -0.578 176.374 177.300 -0.580 0.000 1.226 387 P CA 0.312 62.917 63.100 -0.826 0.000 0.765 387 P CB 0.480 31.830 31.700 -0.583 0.000 0.835 388 T N -1.326 112.818 114.554 -0.683 0.000 2.950 388 T HA 0.350 4.704 4.350 0.008 0.000 0.288 388 T C 1.312 175.778 174.700 -0.390 0.000 1.035 388 T CA -0.217 61.534 62.100 -0.582 0.000 1.028 388 T CB 1.161 69.439 68.868 -0.984 0.000 1.109 388 T HN 0.234 nan 8.240 nan 0.000 0.514 389 S N -0.151 115.393 115.700 -0.260 0.000 2.414 389 S HA -0.047 4.427 4.470 0.008 0.000 0.227 389 S C 0.853 175.377 174.600 -0.128 0.000 1.022 389 S CA 0.754 58.860 58.200 -0.158 0.000 0.958 389 S CB -0.875 62.274 63.200 -0.086 0.000 0.797 389 S HN 0.870 nan 8.310 nan 0.000 0.493 390 D N 2.238 122.561 120.400 -0.128 0.000 2.479 390 D HA 0.279 4.923 4.640 0.008 0.000 0.253 390 D C 0.244 176.503 176.300 -0.068 0.000 1.278 390 D CA 0.411 54.376 54.000 -0.057 0.000 1.145 390 D CB -0.660 40.150 40.800 0.017 0.000 1.118 390 D HN 0.356 nan 8.370 nan 0.000 0.513 391 K N 1.193 121.559 120.400 -0.058 0.000 1.399 391 K HA -0.145 4.179 4.320 0.008 0.000 0.733 391 K C 0.783 177.335 176.600 -0.080 0.000 1.997 391 K CA 1.308 57.568 56.287 -0.044 0.000 1.105 391 K CB -1.348 31.144 32.500 -0.013 0.000 2.031 391 K HN 0.342 nan 8.250 nan 0.000 0.456 392 G N 0.742 109.521 108.800 -0.036 0.000 3.523 392 G HA2 0.222 4.187 3.960 0.008 0.000 0.270 392 G HA3 0.222 4.187 3.960 0.008 0.000 0.270 392 G C -0.224 174.705 174.900 0.049 0.000 1.134 392 G CA 0.012 45.099 45.100 -0.021 0.000 0.825 392 G HN 0.286 nan 8.290 nan 0.000 0.534 393 R N -0.492 119.997 120.500 -0.019 0.000 2.615 393 R HA 0.505 4.850 4.340 0.008 0.000 0.270 393 R C -0.973 175.301 176.300 -0.044 0.000 1.081 393 R CA -0.003 56.153 56.100 0.094 0.000 1.154 393 R CB 0.777 31.121 30.300 0.073 0.000 1.063 393 R HN 0.168 nan 8.270 nan 0.000 0.519 394 F N 0.731 120.650 119.950 -0.051 0.000 2.540 394 F HA 0.344 4.876 4.527 0.008 0.000 0.317 394 F C -0.527 175.367 175.800 0.157 0.000 1.104 394 F CA -1.077 56.895 58.000 -0.047 0.000 0.913 394 F CB 1.286 40.267 39.000 -0.032 0.000 1.170 394 F HN 0.229 nan 8.300 nan 0.000 0.450 395 Y N 1.649 122.037 120.300 0.145 0.000 2.323 395 Y HA 0.594 5.148 4.550 0.008 0.000 0.331 395 Y C 0.407 176.398 175.900 0.152 0.000 1.092 395 Y CA -2.135 56.037 58.100 0.120 0.000 1.150 395 Y CB 0.980 39.491 38.460 0.085 0.000 1.200 395 Y HN 0.612 nan 8.280 nan 0.000 0.472 396 A N 4.091 127.080 122.820 0.283 0.000 2.401 396 A HA 0.444 4.769 4.320 0.008 0.000 0.259 396 A C -1.163 176.566 177.584 0.241 0.000 1.103 396 A CA -0.206 51.958 52.037 0.212 0.000 0.789 396 A CB -0.257 18.820 19.000 0.127 0.000 1.035 396 A HN 0.587 nan 8.150 nan 0.000 0.491 397 F N 2.277 122.282 119.950 0.092 0.000 2.482 397 F HA 0.682 5.214 4.527 0.008 0.000 0.331 397 F C 0.418 176.270 175.800 0.087 0.000 1.115 397 F CA 0.580 58.631 58.000 0.085 0.000 0.955 397 F CB 1.636 40.687 39.000 0.085 0.000 1.136 397 F HN 0.904 nan 8.300 nan 0.000 0.452 398 G N 5.012 113.402 108.800 -0.682 0.000 2.494 398 G HA2 0.439 4.404 3.960 0.008 0.000 0.308 398 G HA3 0.439 4.404 3.960 0.008 0.000 0.308 398 G C -2.091 172.552 174.900 -0.428 0.000 1.263 398 G CA -1.148 43.715 45.100 -0.395 0.000 0.840 398 G HN 0.760 nan 8.290 nan 0.000 0.479 399 R N -0.624 119.761 120.500 -0.191 0.000 2.673 399 R HA 0.601 4.946 4.340 0.008 0.000 0.281 399 R C -1.401 174.742 176.300 -0.262 0.000 0.991 399 R CA -0.570 55.338 56.100 -0.319 0.000 0.896 399 R CB 2.274 32.259 30.300 -0.525 0.000 1.201 399 R HN 0.378 nan 8.270 nan 0.000 0.457 400 V N 6.069 125.826 119.914 -0.262 0.000 2.322 400 V HA 0.185 4.309 4.120 0.008 0.000 0.258 400 V C 0.384 176.370 176.094 -0.180 0.000 1.074 400 V CA -0.055 62.164 62.300 -0.135 0.000 0.909 400 V CB 0.377 32.144 31.823 -0.093 0.000 1.090 400 V HN 0.767 nan 8.190 nan 0.000 0.486 401 F N 2.687 122.640 119.950 0.006 0.000 2.661 401 F HA 0.437 4.969 4.527 0.008 0.000 0.298 401 F C 1.262 177.045 175.800 -0.028 0.000 1.137 401 F CA 0.817 58.808 58.000 -0.015 0.000 1.454 401 F CB 0.252 39.249 39.000 -0.004 0.000 1.103 401 F HN 0.587 nan 8.300 nan 0.000 0.577 402 A N -1.238 121.657 122.820 0.125 0.000 2.594 402 A HA 0.581 4.905 4.320 0.008 0.000 0.296 402 A C 0.159 177.762 177.584 0.031 0.000 1.056 402 A CA -0.316 51.756 52.037 0.058 0.000 0.693 402 A CB 0.156 19.183 19.000 0.045 0.000 1.278 402 A HN 0.709 nan 8.150 nan 0.000 0.408 403 G N 0.096 108.901 108.800 0.009 0.000 2.697 403 G HA2 0.431 4.396 3.960 0.008 0.000 0.240 403 G HA3 0.431 4.396 3.960 0.008 0.000 0.240 403 G C 0.170 175.067 174.900 -0.006 0.000 1.346 403 G CA 0.454 45.555 45.100 0.001 0.000 0.887 403 G HN 2.891 nan 8.290 nan 0.000 0.569 404 T N -3.672 110.876 114.554 -0.009 0.000 2.916 404 T HA 0.653 5.008 4.350 0.008 0.000 0.298 404 T C -0.433 174.258 174.700 -0.016 0.000 1.031 404 T CA 0.122 62.212 62.100 -0.017 0.000 0.993 404 T CB 1.854 70.710 68.868 -0.021 0.000 1.045 404 T HN 2.049 nan 8.240 nan 0.000 0.454 405 V N 3.642 123.544 119.914 -0.021 0.000 2.509 405 V HA 0.788 4.913 4.120 0.008 0.000 0.284 405 V C -0.630 175.449 176.094 -0.024 0.000 1.047 405 V CA -0.410 61.878 62.300 -0.020 0.000 0.952 405 V CB 0.805 32.614 31.823 -0.023 0.000 0.988 405 V HN 1.185 nan 8.190 nan 0.000 0.469 406 K N 3.539 123.926 120.400 -0.022 0.000 2.498 406 K HA 0.604 4.929 4.320 0.008 0.000 0.254 406 K C -0.588 175.999 176.600 -0.023 0.000 0.933 406 K CA -0.534 55.739 56.287 -0.023 0.000 0.806 406 K CB 1.739 34.227 32.500 -0.020 0.000 1.301 406 K HN 0.416 nan 8.250 nan 0.000 0.432 407 S N 1.133 116.818 115.700 -0.025 0.000 2.593 407 S HA 0.226 4.700 4.470 0.008 0.000 0.300 407 S C 1.319 175.908 174.600 -0.018 0.000 1.267 407 S CA 1.257 59.442 58.200 -0.025 0.000 1.065 407 S CB 0.085 63.270 63.200 -0.025 0.000 0.807 407 S HN 1.077 nan 8.310 nan 0.000 0.499 408 G N 2.152 110.942 108.800 -0.016 0.000 2.336 408 G HA2 -0.318 3.647 3.960 0.008 0.000 0.233 408 G HA3 -0.318 3.647 3.960 0.008 0.000 0.233 408 G C 0.199 175.090 174.900 -0.014 0.000 1.053 408 G CA 0.301 45.394 45.100 -0.012 0.000 0.625 408 G HN 0.846 nan 8.290 nan 0.000 0.511 409 Q N 1.981 121.771 119.800 -0.016 0.000 2.368 409 Q HA 0.169 4.513 4.340 0.008 0.000 0.331 409 Q C 0.580 176.566 176.000 -0.023 0.000 1.086 409 Q CA 0.955 56.747 55.803 -0.018 0.000 1.031 409 Q CB 0.198 28.925 28.738 -0.018 0.000 1.125 409 Q HN 0.696 nan 8.270 nan 0.000 0.389 410 K N 2.111 122.495 120.400 -0.026 0.000 2.201 410 K HA 0.508 4.833 4.320 0.008 0.000 0.278 410 K C -1.066 175.508 176.600 -0.043 0.000 1.027 410 K CA -0.825 55.439 56.287 -0.038 0.000 0.909 410 K CB 1.499 33.977 32.500 -0.038 0.000 1.062 410 K HN 0.316 nan 8.250 nan 0.000 0.465 411 V N 2.641 122.520 119.914 -0.058 0.000 3.074 411 V HA 0.417 4.541 4.120 0.008 0.000 0.314 411 V C -0.346 175.695 176.094 -0.088 0.000 1.117 411 V CA -1.306 60.959 62.300 -0.058 0.000 1.014 411 V CB 1.975 33.773 31.823 -0.041 0.000 1.057 411 V HN 0.760 nan 8.190 nan 0.000 0.438 412 R N 2.107 122.555 120.500 -0.087 0.000 2.202 412 R HA 0.554 4.899 4.340 0.008 0.000 0.334 412 R C -0.879 175.341 176.300 -0.132 0.000 1.036 412 R CA -0.225 55.793 56.100 -0.136 0.000 0.878 412 R CB 0.744 30.953 30.300 -0.151 0.000 1.067 412 R HN 0.552 nan 8.270 nan 0.000 0.457 413 I N 4.269 124.764 120.570 -0.125 0.000 2.287 413 I HA 0.073 4.248 4.170 0.008 0.000 0.290 413 I C 0.142 176.210 176.117 -0.082 0.000 1.069 413 I CA -0.235 61.043 61.300 -0.036 0.000 1.237 413 I CB 0.847 38.889 38.000 0.070 0.000 1.418 413 I HN 0.394 nan 8.210 nan 0.000 0.481 414 Q N 5.502 125.211 119.800 -0.151 0.000 2.377 414 Q HA 0.363 4.708 4.340 0.008 0.000 0.249 414 Q C 0.595 176.599 176.000 0.006 0.000 1.005 414 Q CA -0.474 55.175 55.803 -0.257 0.000 0.912 414 Q CB 1.546 30.101 28.738 -0.305 0.000 1.223 414 Q HN 0.772 nan 8.270 nan 0.000 0.459 415 G N 3.038 111.882 108.800 0.074 0.000 2.653 415 G HA2 0.113 4.077 3.960 0.008 0.000 0.265 415 G HA3 0.113 4.077 3.960 0.008 0.000 0.265 415 G C -1.690 173.310 174.900 0.167 0.000 1.237 415 G CA -1.153 44.050 45.100 0.171 0.000 0.946 415 G HN 0.353 nan 8.290 nan 0.000 0.522 416 P HA -0.149 nan 4.420 nan 0.000 0.216 416 P C 1.383 178.761 177.300 0.130 0.000 1.157 416 P CA 1.269 64.453 63.100 0.139 0.000 0.880 416 P CB 0.170 31.952 31.700 0.137 0.000 0.791 417 N N -2.713 116.067 118.700 0.133 0.000 2.398 417 N HA -0.052 4.693 4.740 0.008 0.000 0.188 417 N C 0.461 176.032 175.510 0.103 0.000 1.122 417 N CA 0.069 53.181 53.050 0.104 0.000 0.866 417 N CB -0.469 38.076 38.487 0.096 0.000 0.970 417 N HN 0.243 nan 8.380 nan 0.000 0.462 418 Y N 1.516 121.814 120.300 -0.003 0.000 2.550 418 Y HA 0.119 4.673 4.550 0.008 0.000 0.343 418 Y C -0.039 175.837 175.900 -0.040 0.000 1.245 418 Y CA 0.044 58.120 58.100 -0.039 0.000 1.462 418 Y CB 0.607 39.037 38.460 -0.050 0.000 1.340 418 Y HN -0.275 nan 8.280 nan 0.000 0.604 419 V N 7.974 127.295 119.914 -0.988 0.000 2.697 419 V HA 0.153 4.278 4.120 0.008 0.000 0.300 419 V C -1.910 173.509 176.094 -1.124 0.000 1.115 419 V CA -1.385 60.438 62.300 -0.795 0.000 0.912 419 V CB 1.850 33.458 31.823 -0.359 0.000 1.024 419 V HN 0.649 nan 8.190 nan 0.000 0.431 420 P HA -0.241 nan 4.420 nan 0.000 0.219 420 P C 1.545 178.646 177.300 -0.332 0.000 1.153 420 P CA 2.187 64.946 63.100 -0.568 0.000 0.865 420 P CB 0.282 31.676 31.700 -0.509 0.000 0.788 421 G N -0.894 107.725 108.800 -0.301 0.000 2.552 421 G HA2 -0.175 3.789 3.960 0.008 0.000 0.216 421 G HA3 -0.175 3.789 3.960 0.008 0.000 0.216 421 G C 0.813 175.633 174.900 -0.134 0.000 1.240 421 G CA 0.890 45.888 45.100 -0.169 0.000 0.796 421 G HN 0.239 nan 8.290 nan 0.000 0.568 422 K N -0.789 119.519 120.400 -0.154 0.000 2.386 422 K HA 0.424 4.748 4.320 0.008 0.000 0.249 422 K C 0.997 177.582 176.600 -0.025 0.000 1.055 422 K CA -0.074 56.164 56.287 -0.081 0.000 0.930 422 K CB 0.548 33.008 32.500 -0.066 0.000 1.230 422 K HN 0.144 nan 8.250 nan 0.000 0.507 423 K N 0.519 120.927 120.400 0.014 0.000 2.414 423 K HA 0.093 4.417 4.320 0.008 0.000 0.204 423 K C -0.827 175.788 176.600 0.024 0.000 1.026 423 K CA -0.019 56.297 56.287 0.049 0.000 1.108 423 K CB 0.473 32.976 32.500 0.005 0.000 0.855 423 K HN 0.468 nan 8.250 nan 0.000 0.517 424 D N 1.936 122.357 120.400 0.036 0.000 2.382 424 D HA -0.014 4.631 4.640 0.008 0.000 0.245 424 D C 0.081 176.395 176.300 0.024 0.000 1.120 424 D CA 0.702 54.712 54.000 0.016 0.000 0.890 424 D CB 0.847 41.664 40.800 0.028 0.000 1.201 424 D HN 0.183 nan 8.370 nan 0.000 0.433 425 D N 0.417 120.753 120.400 -0.108 0.000 2.772 425 D HA -0.199 4.446 4.640 0.008 0.000 0.233 425 D C -1.024 174.930 176.300 -0.577 0.000 1.143 425 D CA 0.384 54.254 54.000 -0.217 0.000 0.700 425 D CB -0.837 39.995 40.800 0.053 0.000 1.076 425 D HN 0.201 nan 8.370 nan 0.000 0.430 426 L N 0.006 120.701 121.223 -0.880 0.000 2.342 426 L HA 0.724 5.069 4.340 0.008 0.000 0.271 426 L C -1.068 175.065 176.870 -1.229 0.000 1.008 426 L CA -0.603 53.709 54.840 -0.880 0.000 0.818 426 L CB 1.448 43.213 42.059 -0.490 0.000 1.296 426 L HN -0.054 nan 8.230 nan 0.000 0.427 427 F N 5.478 125.307 119.950 -0.202 0.000 2.931 427 F HA 0.415 4.946 4.527 0.008 0.000 0.375 427 F C -0.182 175.414 175.800 -0.341 0.000 1.243 427 F CA -0.575 57.269 58.000 -0.261 0.000 1.206 427 F CB 0.395 39.195 39.000 -0.334 0.000 1.643 427 F HN 0.195 nan 8.300 nan 0.000 0.593 428 I N 4.124 124.607 120.570 -0.145 0.000 2.577 428 I HA 0.037 4.212 4.170 0.008 0.000 0.299 428 I C 0.287 176.304 176.117 -0.167 0.000 1.157 428 I CA 0.441 61.654 61.300 -0.145 0.000 1.418 428 I CB -0.337 37.599 38.000 -0.105 0.000 1.467 428 I HN 0.342 nan 8.210 nan 0.000 0.624 429 K N 4.342 124.600 120.400 -0.238 0.000 2.279 429 K HA 0.824 5.149 4.320 0.008 0.000 0.238 429 K C -0.640 175.878 176.600 -0.138 0.000 1.084 429 K CA -0.951 55.188 56.287 -0.246 0.000 0.885 429 K CB 1.879 34.046 32.500 -0.555 0.000 1.319 429 K HN 0.383 nan 8.250 nan 0.000 0.494 430 A N 1.183 123.956 122.820 -0.079 0.000 2.317 430 A HA 0.514 4.839 4.320 0.008 0.000 0.327 430 A C -0.189 177.390 177.584 -0.008 0.000 1.178 430 A CA -0.683 51.333 52.037 -0.035 0.000 0.817 430 A CB 0.245 19.236 19.000 -0.015 0.000 1.189 430 A HN 0.500 nan 8.150 nan 0.000 0.489 431 I N 3.430 123.993 120.570 -0.011 0.000 2.471 431 I HA -0.019 4.156 4.170 0.008 0.000 0.294 431 I C 1.546 177.662 176.117 -0.002 0.000 1.123 431 I CA 0.587 61.886 61.300 -0.001 0.000 1.336 431 I CB -0.058 37.934 38.000 -0.013 0.000 1.430 431 I HN 0.895 nan 8.210 nan 0.000 0.533 432 Q N 4.884 124.691 119.800 0.011 0.000 2.014 432 Q HA -0.121 4.223 4.340 0.008 0.000 0.207 432 Q C 0.189 176.173 176.000 -0.028 0.000 0.993 432 Q CA 1.549 57.352 55.803 0.001 0.000 0.850 432 Q CB 0.355 29.101 28.738 0.014 0.000 0.916 432 Q HN 0.497 nan 8.270 nan 0.000 0.417 433 R N -0.866 119.597 120.500 -0.061 0.000 2.626 433 R HA 0.421 4.766 4.340 0.008 0.000 0.274 433 R C -1.366 174.867 176.300 -0.112 0.000 1.031 433 R CA -0.513 55.536 56.100 -0.086 0.000 0.898 433 R CB 1.841 32.075 30.300 -0.111 0.000 1.222 433 R HN -0.097 nan 8.270 nan 0.000 0.455 434 V N 2.715 122.580 119.914 -0.082 0.000 2.398 434 V HA 0.590 4.715 4.120 0.008 0.000 0.286 434 V C 0.130 176.182 176.094 -0.070 0.000 1.026 434 V CA -0.737 61.518 62.300 -0.074 0.000 0.868 434 V CB 1.676 33.470 31.823 -0.048 0.000 0.982 434 V HN 0.587 nan 8.190 nan 0.000 0.443 435 V N 3.309 123.182 119.914 -0.069 0.000 3.007 435 V HA 0.661 4.786 4.120 0.008 0.000 0.311 435 V C -0.718 175.390 176.094 0.024 0.000 1.120 435 V CA -1.035 61.250 62.300 -0.026 0.000 0.980 435 V CB 2.086 33.884 31.823 -0.041 0.000 1.033 435 V HN 0.625 nan 8.190 nan 0.000 0.429 436 L N 3.965 125.218 121.223 0.050 0.000 2.331 436 L HA 0.435 4.780 4.340 0.008 0.000 0.278 436 L C 0.343 177.286 176.870 0.122 0.000 1.106 436 L CA -0.490 54.395 54.840 0.075 0.000 0.824 436 L CB 1.329 43.430 42.059 0.070 0.000 1.142 436 L HN 0.584 nan 8.230 nan 0.000 0.443 437 M N 4.806 124.500 119.600 0.155 0.000 3.596 437 M HA 0.144 4.629 4.480 0.008 0.000 0.219 437 M C 0.076 176.457 176.300 0.136 0.000 1.471 437 M CA 0.148 55.557 55.300 0.182 0.000 1.644 437 M CB -0.073 32.707 32.600 0.300 0.000 1.083 437 M HN 0.539 nan 8.290 nan 0.000 0.579 438 M N 1.217 120.895 119.600 0.130 0.000 3.722 438 M HA 0.141 4.626 4.480 0.008 0.000 0.183 438 M C 1.355 177.694 176.300 0.064 0.000 1.485 438 M CA 0.336 55.714 55.300 0.131 0.000 1.685 438 M CB -1.876 30.839 32.600 0.192 0.000 1.198 438 M HN 0.842 nan 8.290 nan 0.000 0.494 439 G N 2.217 111.022 108.800 0.009 0.000 4.026 439 G HA2 -0.379 3.585 3.960 0.008 0.000 0.309 439 G HA3 -0.379 3.585 3.960 0.008 0.000 0.309 439 G C 1.167 175.944 174.900 -0.206 0.000 1.411 439 G CA 0.440 45.487 45.100 -0.088 0.000 1.037 439 G HN 0.551 nan 8.290 nan 0.000 0.687 440 R N -0.052 120.182 120.500 -0.444 0.000 2.254 440 R HA 0.395 4.739 4.340 0.008 0.000 0.193 440 R C 0.393 176.312 176.300 -0.636 0.000 0.929 440 R CA 0.467 56.176 56.100 -0.651 0.000 1.038 440 R CB 0.261 29.972 30.300 -0.981 0.000 1.009 440 R HN 0.332 nan 8.270 nan 0.000 0.512 441 F N 1.011 120.976 119.950 0.024 0.000 2.483 441 F HA 0.424 4.956 4.527 0.008 0.000 0.329 441 F C 0.399 176.240 175.800 0.067 0.000 1.064 441 F CA -1.802 56.221 58.000 0.038 0.000 0.986 441 F CB 1.075 40.093 39.000 0.031 0.000 1.218 441 F HN -0.325 nan 8.300 nan 0.000 0.484 442 V N -0.951 119.127 119.914 0.273 0.000 2.667 442 V HA 0.835 4.960 4.120 0.008 0.000 0.308 442 V C -1.111 175.078 176.094 0.157 0.000 1.048 442 V CA -0.675 61.746 62.300 0.203 0.000 0.928 442 V CB 1.786 33.748 31.823 0.231 0.000 1.004 442 V HN 0.732 nan 8.190 nan 0.000 0.444 443 E N 3.856 124.124 120.200 0.112 0.000 2.255 443 E HA 0.593 4.948 4.350 0.008 0.000 0.256 443 E C -2.938 173.687 176.600 0.041 0.000 0.887 443 E CA -2.242 54.203 56.400 0.075 0.000 0.782 443 E CB 2.155 31.902 29.700 0.078 0.000 1.214 443 E HN 0.652 nan 8.360 nan 0.000 0.417 444 P HA 0.072 nan 4.420 nan 0.000 0.265 444 P C -0.824 176.475 177.300 -0.002 0.000 1.187 444 P CA 0.040 63.140 63.100 -0.001 0.000 0.766 444 P CB 0.399 32.098 31.700 -0.003 0.000 0.820 445 I N 1.710 122.272 120.570 -0.013 0.000 2.692 445 I HA 0.235 4.410 4.170 0.008 0.000 0.293 445 I C 0.617 176.722 176.117 -0.020 0.000 1.200 445 I CA -0.460 60.832 61.300 -0.014 0.000 1.036 445 I CB 1.607 39.600 38.000 -0.013 0.000 1.258 445 I HN 0.230 nan 8.210 nan 0.000 0.421 446 D N 3.596 123.985 120.400 -0.019 0.000 2.137 446 D HA -0.161 4.483 4.640 0.008 0.000 0.193 446 D C 0.099 176.385 176.300 -0.023 0.000 0.993 446 D CA 2.039 56.026 54.000 -0.020 0.000 0.846 446 D CB 0.108 40.898 40.800 -0.018 0.000 0.990 446 D HN 0.772 nan 8.370 nan 0.000 0.448 447 D N -2.038 118.347 120.400 -0.024 0.000 2.553 447 D HA 0.383 5.028 4.640 0.008 0.000 0.249 447 D C -1.548 174.733 176.300 -0.031 0.000 1.062 447 D CA -0.789 53.195 54.000 -0.027 0.000 1.085 447 D CB 2.277 43.063 40.800 -0.024 0.000 1.350 447 D HN 0.152 nan 8.370 nan 0.000 0.575 448 C N 2.422 121.702 119.300 -0.034 0.000 2.887 448 C HA 0.482 4.947 4.460 0.008 0.000 0.379 448 C C -2.749 172.215 174.990 -0.043 0.000 1.064 448 C CA -1.053 57.940 59.018 -0.041 0.000 1.282 448 C CB 0.868 28.579 27.740 -0.047 0.000 1.749 448 C HN 0.415 nan 8.230 nan 0.000 0.489 449 P HA 0.315 nan 4.420 nan 0.000 0.274 449 P C -0.127 177.142 177.300 -0.053 0.000 1.237 449 P CA 0.197 63.273 63.100 -0.041 0.000 0.793 449 P CB 0.801 32.479 31.700 -0.037 0.000 0.977 450 A N 0.945 123.738 122.820 -0.045 0.000 2.561 450 A HA 0.370 4.695 4.320 0.008 0.000 0.234 450 A C 1.444 178.979 177.584 -0.081 0.000 1.055 450 A CA 1.043 53.045 52.037 -0.059 0.000 0.756 450 A CB -1.549 17.436 19.000 -0.024 0.000 0.986 450 A HN 0.911 nan 8.150 nan 0.000 0.505 451 G N 1.547 110.264 108.800 -0.138 0.000 2.201 451 G HA2 -0.180 3.785 3.960 0.008 0.000 0.212 451 G HA3 -0.180 3.785 3.960 0.008 0.000 0.212 451 G C -0.107 174.701 174.900 -0.154 0.000 0.994 451 G CA 0.238 45.252 45.100 -0.143 0.000 0.644 451 G HN 0.957 nan 8.290 nan 0.000 0.508 452 N N -0.325 118.281 118.700 -0.157 0.000 2.362 452 N HA 0.727 5.472 4.740 0.008 0.000 0.299 452 N C -0.730 174.672 175.510 -0.181 0.000 1.170 452 N CA -0.642 52.327 53.050 -0.134 0.000 0.825 452 N CB 1.373 39.807 38.487 -0.088 0.000 1.299 452 N HN 0.043 nan 8.380 nan 0.000 0.502 453 I N 1.731 122.208 120.570 -0.154 0.000 2.325 453 I HA 0.359 4.534 4.170 0.008 0.000 0.291 453 I C -0.362 175.649 176.117 -0.177 0.000 1.019 453 I CA -0.177 60.987 61.300 -0.227 0.000 1.302 453 I CB 0.230 38.145 38.000 -0.142 0.000 1.401 453 I HN 0.464 nan 8.210 nan 0.000 0.485 454 I N 4.848 125.275 120.570 -0.238 0.000 3.343 454 I HA 0.869 5.044 4.170 0.008 0.000 0.315 454 I C -0.281 175.768 176.117 -0.114 0.000 1.153 454 I CA -0.500 60.727 61.300 -0.121 0.000 0.952 454 I CB 2.373 40.319 38.000 -0.089 0.000 1.287 454 I HN 0.479 nan 8.210 nan 0.000 0.472 455 G N 3.261 112.055 108.800 -0.010 0.000 2.542 455 G HA2 0.679 4.643 3.960 0.008 0.000 0.311 455 G HA3 0.679 4.643 3.960 0.008 0.000 0.311 455 G C -1.771 173.120 174.900 -0.015 0.000 1.298 455 G CA -0.575 44.555 45.100 0.050 0.000 0.973 455 G HN 0.578 nan 8.290 nan 0.000 0.487 456 L N 0.817 122.037 121.223 -0.005 0.000 2.333 456 L HA 0.701 5.045 4.340 0.008 0.000 0.269 456 L C -0.559 176.232 176.870 -0.131 0.000 1.010 456 L CA -1.291 53.516 54.840 -0.055 0.000 0.818 456 L CB 2.363 44.420 42.059 -0.004 0.000 1.306 456 L HN 0.177 nan 8.230 nan 0.000 0.430 457 V N 0.709 120.505 119.914 -0.198 0.000 2.444 457 V HA 0.676 4.800 4.120 0.008 0.000 0.294 457 V C 0.533 176.606 176.094 -0.035 0.000 1.022 457 V CA 0.053 62.192 62.300 -0.268 0.000 0.850 457 V CB 1.165 32.695 31.823 -0.489 0.000 0.992 457 V HN 1.052 nan 8.190 nan 0.000 0.426 458 G N 4.023 112.871 108.800 0.079 0.000 2.145 458 G HA2 -0.143 3.822 3.960 0.008 0.000 0.145 458 G HA3 -0.143 3.822 3.960 0.008 0.000 0.145 458 G C 0.204 175.230 174.900 0.210 0.000 1.017 458 G CA 0.127 45.300 45.100 0.122 0.000 0.682 458 G HN 0.621 nan 8.290 nan 0.000 0.504 459 I N 0.782 121.464 120.570 0.187 0.000 4.139 459 I HA 0.100 4.275 4.170 0.008 0.000 0.320 459 I C 2.267 178.413 176.117 0.049 0.000 1.290 459 I CA 0.772 62.245 61.300 0.288 0.000 1.253 459 I CB 0.085 38.214 38.000 0.214 0.000 1.122 459 I HN 0.204 nan 8.210 nan 0.000 0.421 460 D N 1.710 122.111 120.400 0.001 0.000 2.345 460 D HA -0.345 4.300 4.640 0.008 0.000 0.190 460 D C 1.728 177.855 176.300 -0.287 0.000 1.024 460 D CA 1.694 55.643 54.000 -0.085 0.000 0.893 460 D CB -0.624 40.192 40.800 0.027 0.000 0.907 460 D HN 0.469 nan 8.370 nan 0.000 0.452 461 Q N -0.520 118.949 119.800 -0.553 0.000 2.282 461 Q HA 0.084 4.429 4.340 0.008 0.000 0.205 461 Q C 0.321 175.722 176.000 -0.998 0.000 0.915 461 Q CA 0.198 55.554 55.803 -0.745 0.000 0.949 461 Q CB -0.132 28.127 28.738 -0.798 0.000 1.035 461 Q HN 0.429 nan 8.270 nan 0.000 0.484 462 F N -0.248 119.495 119.950 -0.345 0.000 2.729 462 F HA 0.372 4.904 4.527 0.008 0.000 0.304 462 F C 0.537 176.116 175.800 -0.368 0.000 1.008 462 F CA -0.313 57.308 58.000 -0.632 0.000 1.188 462 F CB 0.813 39.530 39.000 -0.472 0.000 0.980 462 F HN -0.118 nan 8.300 nan 0.000 0.627 463 L N 1.190 122.397 121.223 -0.027 0.000 2.319 463 L HA 0.308 4.653 4.340 0.008 0.000 0.281 463 L C 0.771 177.598 176.870 -0.073 0.000 1.005 463 L CA -0.540 54.304 54.840 0.008 0.000 0.828 463 L CB 2.280 44.370 42.059 0.051 0.000 1.227 463 L HN 0.052 nan 8.230 nan 0.000 0.415 464 L N 4.039 125.222 121.223 -0.066 0.000 1.976 464 L HA -0.123 4.222 4.340 0.008 0.000 0.209 464 L C 1.674 178.445 176.870 -0.164 0.000 1.071 464 L CA 2.164 56.927 54.840 -0.127 0.000 0.746 464 L CB -0.112 41.901 42.059 -0.076 0.000 0.890 464 L HN 0.670 nan 8.230 nan 0.000 0.432 465 K N -3.269 117.064 120.400 -0.112 0.000 2.890 465 K HA 0.237 4.562 4.320 0.008 0.000 0.202 465 K C 0.156 176.723 176.600 -0.055 0.000 1.592 465 K CA 0.372 56.558 56.287 -0.169 0.000 1.197 465 K CB 0.715 32.960 32.500 -0.425 0.000 1.913 465 K HN 0.083 nan 8.250 nan 0.000 0.550 466 T N 0.404 114.985 114.554 0.045 0.000 2.952 466 T HA 0.696 5.051 4.350 0.008 0.000 0.286 466 T C -0.198 174.507 174.700 0.008 0.000 1.024 466 T CA -0.368 61.767 62.100 0.057 0.000 1.029 466 T CB 1.875 70.876 68.868 0.221 0.000 1.094 466 T HN 0.452 nan 8.240 nan 0.000 0.515 467 G N 0.212 108.945 108.800 -0.111 0.000 2.328 467 G HA2 0.491 4.456 3.960 0.008 0.000 0.295 467 G HA3 0.491 4.456 3.960 0.008 0.000 0.295 467 G C -1.512 173.314 174.900 -0.123 0.000 1.413 467 G CA -0.727 44.341 45.100 -0.053 0.000 0.817 467 G HN 0.713 nan 8.290 nan 0.000 0.546 468 T N 0.297 114.848 114.554 -0.005 0.000 2.861 468 T HA 0.636 4.990 4.350 0.008 0.000 0.287 468 T C -0.934 173.791 174.700 0.042 0.000 1.003 468 T CA -0.398 61.732 62.100 0.050 0.000 0.977 468 T CB 1.642 70.594 68.868 0.140 0.000 0.996 468 T HN 0.384 nan 8.240 nan 0.000 0.448 469 L N 3.584 124.841 121.223 0.057 0.000 2.313 469 L HA 0.733 5.078 4.340 0.008 0.000 0.283 469 L C 0.736 177.633 176.870 0.046 0.000 1.013 469 L CA -0.120 54.738 54.840 0.029 0.000 0.816 469 L CB 1.665 43.738 42.059 0.024 0.000 1.236 469 L HN 0.974 nan 8.230 nan 0.000 0.419 470 T N -1.991 112.573 114.554 0.016 0.000 2.716 470 T HA 0.635 4.989 4.350 0.008 0.000 0.286 470 T C 0.245 174.947 174.700 0.003 0.000 1.052 470 T CA -0.149 61.970 62.100 0.032 0.000 1.024 470 T CB 1.847 70.754 68.868 0.064 0.000 1.349 470 T HN 0.335 nan 8.240 nan 0.000 0.525 471 T N 0.055 114.618 114.554 0.015 0.000 3.051 471 T HA 0.346 4.701 4.350 0.008 0.000 0.254 471 T C 0.722 175.429 174.700 0.012 0.000 0.916 471 T CA 0.142 62.244 62.100 0.003 0.000 0.894 471 T CB 0.271 69.140 68.868 0.003 0.000 1.251 471 T HN 0.713 nan 8.240 nan 0.000 0.517 472 S N 1.861 117.580 115.700 0.031 0.000 2.510 472 S HA 0.099 4.574 4.470 0.008 0.000 0.279 472 S C 1.040 175.671 174.600 0.052 0.000 1.284 472 S CA -0.241 57.984 58.200 0.042 0.000 1.059 472 S CB 0.622 63.858 63.200 0.059 0.000 0.901 472 S HN 0.333 nan 8.310 nan 0.000 0.491 473 E N 2.359 122.584 120.200 0.041 0.000 2.418 473 E HA -0.057 4.298 4.350 0.008 0.000 0.197 473 E C 0.894 177.535 176.600 0.067 0.000 1.026 473 E CA 0.983 57.412 56.400 0.048 0.000 0.862 473 E CB -0.005 29.712 29.700 0.029 0.000 0.799 473 E HN 0.812 nan 8.360 nan 0.000 0.518 474 T N -1.605 112.988 114.554 0.066 0.000 3.275 474 T HA 0.556 4.911 4.350 0.008 0.000 0.265 474 T C 0.019 174.789 174.700 0.118 0.000 0.978 474 T CA -0.578 61.559 62.100 0.061 0.000 0.923 474 T CB 0.624 69.531 68.868 0.065 0.000 1.126 474 T HN 0.041 nan 8.240 nan 0.000 0.538 475 A N 1.314 124.224 122.820 0.149 0.000 2.276 475 A HA 0.676 5.001 4.320 0.008 0.000 0.316 475 A C -0.345 177.388 177.584 0.249 0.000 1.229 475 A CA -0.680 51.520 52.037 0.271 0.000 0.851 475 A CB 0.302 19.442 19.000 0.234 0.000 1.165 475 A HN 0.635 nan 8.150 nan 0.000 0.513 476 H N 1.254 120.461 119.070 0.229 0.000 2.581 476 H HA 0.241 4.801 4.556 0.008 0.000 0.369 476 H C 0.583 175.952 175.328 0.070 0.000 1.351 476 H CA 0.224 56.274 56.048 0.003 0.000 1.434 476 H CB 0.490 30.041 29.762 -0.352 0.000 1.558 476 H HN 0.676 nan 8.280 nan 0.000 0.608 477 N N 0.309 119.104 118.700 0.158 0.000 2.408 477 N HA 0.176 4.921 4.740 0.008 0.000 0.260 477 N C -0.340 175.232 175.510 0.103 0.000 1.242 477 N CA -0.125 53.029 53.050 0.173 0.000 0.959 477 N CB 0.717 39.306 38.487 0.170 0.000 1.201 477 N HN 0.399 nan 8.380 nan 0.000 0.511 478 M N 0.549 120.276 119.600 0.211 0.000 2.423 478 M HA 0.230 4.715 4.480 0.008 0.000 0.335 478 M C 0.407 176.834 176.300 0.212 0.000 1.177 478 M CA -0.602 54.818 55.300 0.199 0.000 1.038 478 M CB 1.207 33.988 32.600 0.302 0.000 1.641 478 M HN 0.186 nan 8.290 nan 0.000 0.455 479 K N 2.458 122.903 120.400 0.074 0.000 2.296 479 K HA -0.083 4.242 4.320 0.008 0.000 0.247 479 K C -0.404 176.325 176.600 0.215 0.000 1.301 479 K CA -0.054 56.278 56.287 0.074 0.000 1.281 479 K CB -0.739 31.753 32.500 -0.014 0.000 0.738 479 K HN 0.550 nan 8.250 nan 0.000 0.524 480 V N 1.771 121.789 119.914 0.173 0.000 2.924 480 V HA 0.228 4.353 4.120 0.008 0.000 0.305 480 V C 0.337 176.510 176.094 0.132 0.000 1.073 480 V CA -0.445 61.965 62.300 0.184 0.000 1.098 480 V CB 1.021 32.916 31.823 0.120 0.000 1.000 480 V HN 0.512 nan 8.190 nan 0.000 0.484 481 M N 3.539 123.213 119.600 0.123 0.000 2.072 481 M HA 0.442 4.927 4.480 0.008 0.000 0.331 481 M C -0.253 175.937 176.300 -0.183 0.000 1.004 481 M CA -0.415 54.858 55.300 -0.045 0.000 0.952 481 M CB 1.412 34.006 32.600 -0.011 0.000 1.511 481 M HN 0.656 nan 8.290 nan 0.000 0.422 482 K N 2.926 123.208 120.400 -0.198 0.000 2.436 482 K HA 0.300 4.625 4.320 0.008 0.000 0.282 482 K C -1.189 175.218 176.600 -0.322 0.000 1.044 482 K CA 0.638 56.837 56.287 -0.148 0.000 1.028 482 K CB 0.359 32.807 32.500 -0.087 0.000 0.919 482 K HN 0.334 nan 8.250 nan 0.000 0.474 483 F N 0.003 119.979 119.950 0.042 0.000 2.613 483 F HA 0.378 4.910 4.527 0.008 0.000 0.314 483 F C 0.143 175.964 175.800 0.035 0.000 1.075 483 F CA -0.770 57.243 58.000 0.022 0.000 0.945 483 F CB 2.386 41.394 39.000 0.012 0.000 1.310 483 F HN 0.334 nan 8.300 nan 0.000 0.467 484 S N 0.356 116.207 115.700 0.253 0.000 2.536 484 S HA 0.467 4.942 4.470 0.008 0.000 0.271 484 S C -0.889 173.752 174.600 0.067 0.000 1.134 484 S CA -0.407 57.888 58.200 0.158 0.000 0.897 484 S CB 1.779 65.100 63.200 0.201 0.000 1.094 484 S HN 0.565 nan 8.310 nan 0.000 0.473 485 V N 4.123 124.050 119.914 0.022 0.000 3.249 485 V HA 0.376 4.501 4.120 0.008 0.000 0.338 485 V C -0.076 175.981 176.094 -0.062 0.000 1.363 485 V CA 0.197 62.480 62.300 -0.028 0.000 1.205 485 V CB -0.122 31.677 31.823 -0.040 0.000 1.164 485 V HN 0.795 nan 8.190 nan 0.000 0.458 486 S N 3.668 119.298 115.700 -0.117 0.000 2.411 486 S HA 0.351 4.826 4.470 0.008 0.000 0.304 486 S C -2.464 172.015 174.600 -0.201 0.000 1.098 486 S CA -0.699 57.338 58.200 -0.272 0.000 1.068 486 S CB 0.909 63.642 63.200 -0.778 0.000 1.032 486 S HN 0.388 nan 8.310 nan 0.000 0.511 487 P HA 0.025 nan 4.420 nan 0.000 0.258 487 P C 0.727 178.007 177.300 -0.034 0.000 1.214 487 P CA 0.026 63.120 63.100 -0.010 0.000 0.872 487 P CB 0.212 31.928 31.700 0.026 0.000 0.890 488 V N 2.011 121.893 119.914 -0.053 0.000 3.645 488 V HA 0.207 4.331 4.120 0.008 0.000 0.275 488 V C 0.298 176.375 176.094 -0.029 0.000 1.356 488 V CA 0.248 62.485 62.300 -0.105 0.000 1.051 488 V CB 0.247 31.903 31.823 -0.279 0.000 0.828 488 V HN 0.077 nan 8.190 nan 0.000 0.441 489 V N 2.643 122.590 119.914 0.055 0.000 2.638 489 V HA 0.720 4.845 4.120 0.008 0.000 0.306 489 V C -0.712 175.460 176.094 0.131 0.000 1.052 489 V CA -0.405 61.972 62.300 0.129 0.000 0.885 489 V CB 1.326 33.250 31.823 0.168 0.000 0.999 489 V HN 0.739 nan 8.190 nan 0.000 0.424 490 Q N 3.280 123.163 119.800 0.137 0.000 2.511 490 Q HA 0.934 5.279 4.340 0.008 0.000 0.289 490 Q C -1.530 174.517 176.000 0.078 0.000 1.021 490 Q CA -0.983 54.882 55.803 0.102 0.000 0.785 490 Q CB 2.978 31.789 28.738 0.122 0.000 1.472 490 Q HN 0.931 nan 8.270 nan 0.000 0.411 491 V N -3.532 116.403 119.914 0.035 0.000 3.159 491 V HA 0.973 5.097 4.120 0.008 0.000 0.308 491 V C -1.159 174.929 176.094 -0.010 0.000 1.190 491 V CA -0.621 61.688 62.300 0.014 0.000 1.037 491 V CB 1.493 33.316 31.823 -0.000 0.000 1.060 491 V HN 1.084 nan 8.190 nan 0.000 0.437 492 A N 1.525 124.342 122.820 -0.004 0.000 2.276 492 A HA 0.843 5.168 4.320 0.008 0.000 0.316 492 A C -0.523 177.061 177.584 -0.001 0.000 1.229 492 A CA -0.635 51.397 52.037 -0.007 0.000 0.851 492 A CB 1.142 20.149 19.000 0.012 0.000 1.165 492 A HN 1.351 nan 8.150 nan 0.000 0.513 493 V N 2.655 122.574 119.914 0.008 0.000 2.435 493 V HA 0.496 4.621 4.120 0.008 0.000 0.290 493 V C 0.117 176.229 176.094 0.030 0.000 1.030 493 V CA -0.347 61.956 62.300 0.004 0.000 0.881 493 V CB 1.340 33.151 31.823 -0.020 0.000 0.983 493 V HN 1.017 nan 8.190 nan 0.000 0.445 494 E N 1.988 122.197 120.200 0.015 0.000 2.343 494 E HA 0.645 5.000 4.350 0.008 0.000 0.270 494 E C -1.215 175.389 176.600 0.006 0.000 0.895 494 E CA -0.788 55.627 56.400 0.025 0.000 0.767 494 E CB 2.596 32.311 29.700 0.025 0.000 1.248 494 E HN 0.603 nan 8.360 nan 0.000 0.440 495 V N 1.057 120.975 119.914 0.006 0.000 2.498 495 V HA 0.304 4.429 4.120 0.008 0.000 0.279 495 V C 0.908 177.005 176.094 0.005 0.000 1.048 495 V CA -0.374 61.925 62.300 -0.001 0.000 0.967 495 V CB 1.423 33.243 31.823 -0.005 0.000 0.988 495 V HN 0.741 nan 8.190 nan 0.000 0.473 496 K N 2.467 122.871 120.400 0.005 0.000 2.148 496 K HA 0.015 4.340 4.320 0.008 0.000 0.204 496 K C 0.217 176.821 176.600 0.007 0.000 1.050 496 K CA 1.396 57.687 56.287 0.007 0.000 0.942 496 K CB 0.005 32.510 32.500 0.008 0.000 0.724 496 K HN 0.802 nan 8.250 nan 0.000 0.446 497 N N -0.545 118.158 118.700 0.006 0.000 2.573 497 N HA 0.175 4.920 4.740 0.008 0.000 0.262 497 N C -0.076 175.437 175.510 0.005 0.000 1.029 497 N CA -0.237 52.817 53.050 0.006 0.000 0.882 497 N CB 1.736 40.226 38.487 0.005 0.000 1.204 497 N HN -0.021 nan 8.380 nan 0.000 0.519 498 A N 2.281 125.105 122.820 0.007 0.000 2.082 498 A HA -0.351 3.974 4.320 0.008 0.000 0.224 498 A C 2.118 179.706 177.584 0.006 0.000 1.179 498 A CA 2.129 54.171 52.037 0.008 0.000 0.670 498 A CB -0.622 18.384 19.000 0.009 0.000 0.817 498 A HN 0.857 nan 8.150 nan 0.000 0.475 499 N N 0.112 118.814 118.700 0.004 0.000 2.166 499 N HA -0.172 4.573 4.740 0.008 0.000 0.186 499 N C 0.485 175.995 175.510 0.000 0.000 1.019 499 N CA 1.702 54.754 53.050 0.003 0.000 0.856 499 N CB -0.778 37.710 38.487 0.002 0.000 0.993 499 N HN 0.515 nan 8.380 nan 0.000 0.426 500 D N 0.948 121.347 120.400 -0.001 0.000 2.349 500 D HA 0.003 4.648 4.640 0.008 0.000 0.224 500 D C 1.871 178.163 176.300 -0.013 0.000 1.029 500 D CA -0.180 53.816 54.000 -0.005 0.000 0.879 500 D CB 0.102 40.899 40.800 -0.004 0.000 0.906 500 D HN 0.300 nan 8.370 nan 0.000 0.528 501 L N 1.414 122.631 121.223 -0.010 0.000 2.034 501 L HA -0.197 4.147 4.340 0.008 0.000 0.217 501 L C -0.826 176.025 176.870 -0.032 0.000 1.077 501 L CA 2.038 56.868 54.840 -0.017 0.000 0.769 501 L CB -1.012 41.050 42.059 0.005 0.000 0.890 501 L HN 0.005 nan 8.230 nan 0.000 0.435 502 P HA -0.144 nan 4.420 nan 0.000 0.222 502 P C 0.975 178.259 177.300 -0.028 0.000 1.147 502 P CA 1.420 64.509 63.100 -0.018 0.000 0.790 502 P CB 0.012 31.709 31.700 -0.005 0.000 0.780 503 K N -1.187 119.198 120.400 -0.026 0.000 2.365 503 K HA -0.037 4.288 4.320 0.008 0.000 0.199 503 K C 1.716 178.294 176.600 -0.035 0.000 1.045 503 K CA 0.607 56.881 56.287 -0.022 0.000 0.962 503 K CB -0.404 32.089 32.500 -0.012 0.000 0.759 503 K HN 0.112 nan 8.250 nan 0.000 0.469 504 L N 0.111 121.293 121.223 -0.068 0.000 2.168 504 L HA -0.017 4.328 4.340 0.008 0.000 0.203 504 L C 1.725 178.497 176.870 -0.164 0.000 1.078 504 L CA 1.201 55.973 54.840 -0.113 0.000 0.780 504 L CB -0.042 41.925 42.059 -0.153 0.000 0.939 504 L HN -0.184 nan 8.230 nan 0.000 0.451 505 V N 0.092 119.902 119.914 -0.174 0.000 2.720 505 V HA -0.195 3.929 4.120 0.008 0.000 0.256 505 V C 2.542 178.597 176.094 -0.064 0.000 1.082 505 V CA 1.677 63.885 62.300 -0.153 0.000 1.101 505 V CB -0.671 31.109 31.823 -0.071 0.000 0.693 505 V HN 0.499 nan 8.190 nan 0.000 0.479 506 E N 0.898 121.073 120.200 -0.043 0.000 2.099 506 E HA 0.049 4.404 4.350 0.008 0.000 0.191 506 E C 2.289 178.894 176.600 0.009 0.000 0.962 506 E CA 1.199 57.593 56.400 -0.010 0.000 0.826 506 E CB -0.701 28.996 29.700 -0.004 0.000 0.788 506 E HN 0.363 nan 8.360 nan 0.000 0.461 507 G N 1.200 110.007 108.800 0.012 0.000 2.442 507 G HA2 -0.235 3.730 3.960 0.008 0.000 0.219 507 G HA3 -0.235 3.730 3.960 0.008 0.000 0.219 507 G C 1.598 176.512 174.900 0.024 0.000 1.141 507 G CA 0.984 46.125 45.100 0.068 0.000 0.763 507 G HN 0.278 nan 8.290 nan 0.000 0.554 508 L N 0.122 121.322 121.223 -0.038 0.000 2.017 508 L HA -0.091 4.253 4.340 0.008 0.000 0.208 508 L C 2.839 179.698 176.870 -0.018 0.000 1.073 508 L CA 1.704 56.511 54.840 -0.056 0.000 0.745 508 L CB -0.365 41.651 42.059 -0.073 0.000 0.894 508 L HN 0.227 nan 8.230 nan 0.000 0.432 509 K N 0.340 120.743 120.400 0.004 0.000 2.097 509 K HA -0.193 4.132 4.320 0.008 0.000 0.206 509 K C 2.287 178.912 176.600 0.042 0.000 1.049 509 K CA 1.312 57.614 56.287 0.025 0.000 0.933 509 K CB 0.060 32.576 32.500 0.026 0.000 0.717 509 K HN 0.227 nan 8.250 nan 0.000 0.442 510 R N 0.312 120.854 120.500 0.069 0.000 2.066 510 R HA -0.119 4.226 4.340 0.008 0.000 0.232 510 R C 2.409 178.817 176.300 0.181 0.000 1.131 510 R CA 1.151 57.342 56.100 0.151 0.000 0.955 510 R CB -0.435 30.005 30.300 0.233 0.000 0.851 510 R HN 0.154 nan 8.270 nan 0.000 0.432 511 L N 0.941 122.156 121.223 -0.013 0.000 1.956 511 L HA -0.201 4.144 4.340 0.008 0.000 0.216 511 L C 1.918 178.740 176.870 -0.079 0.000 1.073 511 L CA 2.009 56.639 54.840 -0.349 0.000 0.762 511 L CB -0.773 41.012 42.059 -0.456 0.000 0.889 511 L HN 0.030 nan 8.230 nan 0.000 0.433 512 S N -0.490 115.195 115.700 -0.026 0.000 2.440 512 S HA -0.221 4.254 4.470 0.008 0.000 0.240 512 S C 1.960 176.617 174.600 0.094 0.000 1.014 512 S CA 1.351 59.570 58.200 0.032 0.000 0.980 512 S CB -0.447 62.774 63.200 0.035 0.000 0.775 512 S HN 0.413 nan 8.310 nan 0.000 0.499 513 K N 1.419 121.879 120.400 0.099 0.000 2.228 513 K HA 0.003 4.327 4.320 0.008 0.000 0.202 513 K C 2.173 178.876 176.600 0.172 0.000 1.051 513 K CA 1.249 57.616 56.287 0.134 0.000 0.960 513 K CB -0.146 32.394 32.500 0.066 0.000 0.743 513 K HN 0.510 nan 8.250 nan 0.000 0.458 514 S N -0.450 115.342 115.700 0.154 0.000 2.458 514 S HA -0.013 4.461 4.470 0.008 0.000 0.223 514 S C 0.564 175.334 174.600 0.285 0.000 1.019 514 S CA 0.034 58.314 58.200 0.133 0.000 0.937 514 S CB 0.211 63.515 63.200 0.174 0.000 0.788 514 S HN 0.153 nan 8.310 nan 0.000 0.511 515 D N 1.262 121.821 120.400 0.265 0.000 2.505 515 D HA 0.435 5.080 4.640 0.008 0.000 0.249 515 D C -2.382 173.972 176.300 0.090 0.000 1.082 515 D CA -2.237 51.891 54.000 0.214 0.000 0.839 515 D CB 2.352 43.244 40.800 0.152 0.000 1.317 515 D HN -0.124 nan 8.370 nan 0.000 0.497 516 P HA 0.037 nan 4.420 nan 0.000 0.219 516 P C 0.867 178.081 177.300 -0.144 0.000 1.150 516 P CA 0.662 63.574 63.100 -0.314 0.000 0.814 516 P CB 0.335 31.735 31.700 -0.499 0.000 0.787 517 C N -1.563 117.696 119.300 -0.070 0.000 2.754 517 C HA 0.354 4.818 4.460 0.008 0.000 0.276 517 C C 1.068 176.147 174.990 0.148 0.000 1.264 517 C CA -0.481 58.527 59.018 -0.017 0.000 1.700 517 C CB -1.061 26.605 27.740 -0.124 0.000 1.885 517 C HN 0.050 nan 8.230 nan 0.000 0.607 518 V N 1.636 121.640 119.914 0.149 0.000 2.716 518 V HA 0.743 4.868 4.120 0.008 0.000 0.304 518 V C -0.898 175.241 176.094 0.074 0.000 1.053 518 V CA -0.387 61.996 62.300 0.139 0.000 0.984 518 V CB 1.799 33.649 31.823 0.045 0.000 1.021 518 V HN 0.266 nan 8.190 nan 0.000 0.467 519 L N 4.692 125.962 121.223 0.079 0.000 2.431 519 L HA 0.836 5.180 4.340 0.008 0.000 0.266 519 L C -0.404 176.538 176.870 0.121 0.000 0.978 519 L CA 0.163 55.064 54.840 0.101 0.000 0.822 519 L CB 2.420 44.553 42.059 0.123 0.000 1.310 519 L HN 0.899 nan 8.230 nan 0.000 0.409 520 T N 1.346 115.979 114.554 0.131 0.000 2.879 520 T HA 0.788 5.143 4.350 0.008 0.000 0.290 520 T C -0.839 173.974 174.700 0.189 0.000 0.993 520 T CA -0.475 61.681 62.100 0.094 0.000 0.975 520 T CB 1.273 70.167 68.868 0.043 0.000 0.981 520 T HN 0.677 nan 8.240 nan 0.000 0.439 521 Y N 0.352 120.676 120.300 0.041 0.000 2.705 521 Y HA 0.785 5.339 4.550 0.008 0.000 0.332 521 Y C -1.602 174.311 175.900 0.021 0.000 1.221 521 Y CA -1.849 56.267 58.100 0.027 0.000 1.059 521 Y CB 1.604 40.059 38.460 -0.008 0.000 1.298 521 Y HN 0.623 nan 8.280 nan 0.000 0.459 522 M N 3.128 122.786 119.600 0.096 0.000 2.243 522 M HA 0.432 4.917 4.480 0.008 0.000 0.324 522 M C -0.523 175.851 176.300 0.122 0.000 1.031 522 M CA -0.842 54.420 55.300 -0.062 0.000 0.949 522 M CB 2.223 34.763 32.600 -0.100 0.000 1.615 522 M HN 0.898 nan 8.290 nan 0.000 0.430 523 S N 1.570 117.282 115.700 0.019 0.000 2.608 523 S HA 0.207 4.682 4.470 0.008 0.000 0.261 523 S C 0.798 175.455 174.600 0.095 0.000 1.314 523 S CA -0.615 57.660 58.200 0.126 0.000 0.992 523 S CB 0.998 64.214 63.200 0.026 0.000 0.935 523 S HN 0.749 nan 8.310 nan 0.000 0.564 524 E N 0.932 121.204 120.200 0.121 0.000 2.118 524 E HA -0.162 4.192 4.350 0.008 0.000 0.195 524 E C 2.176 178.764 176.600 -0.020 0.000 0.992 524 E CA 1.476 57.905 56.400 0.049 0.000 0.804 524 E CB -0.327 29.383 29.700 0.017 0.000 0.741 524 E HN 0.856 nan 8.360 nan 0.000 0.458 525 S N -0.363 115.321 115.700 -0.026 0.000 2.528 525 S HA -0.062 4.413 4.470 0.008 0.000 0.244 525 S C 1.621 176.191 174.600 -0.049 0.000 0.982 525 S CA 0.910 59.087 58.200 -0.037 0.000 0.953 525 S CB -0.193 62.987 63.200 -0.034 0.000 0.754 525 S HN 0.421 nan 8.310 nan 0.000 0.529 526 G N 0.186 108.946 108.800 -0.066 0.000 2.143 526 G HA2 -0.236 3.728 3.960 0.008 0.000 0.249 526 G HA3 -0.236 3.728 3.960 0.008 0.000 0.249 526 G C -0.253 174.529 174.900 -0.197 0.000 0.981 526 G CA 0.205 45.236 45.100 -0.114 0.000 0.665 526 G HN 0.640 nan 8.290 nan 0.000 0.528 527 E N 0.278 120.380 120.200 -0.165 0.000 2.349 527 E HA 0.411 4.766 4.350 0.008 0.000 0.262 527 E C -0.132 176.283 176.600 -0.309 0.000 1.088 527 E CA -0.653 55.643 56.400 -0.172 0.000 0.899 527 E CB 0.574 30.229 29.700 -0.075 0.000 1.044 527 E HN 0.395 nan 8.360 nan 0.000 0.420 528 H N 1.989 121.000 119.070 -0.098 0.000 2.594 528 H HA 0.308 4.869 4.556 0.008 0.000 0.304 528 H C -0.279 174.928 175.328 -0.202 0.000 1.068 528 H CA -0.158 55.807 56.048 -0.139 0.000 1.308 528 H CB 0.330 30.043 29.762 -0.083 0.000 1.409 528 H HN 0.293 nan 8.280 nan 0.000 0.460 529 I N 3.317 123.718 120.570 -0.281 0.000 2.460 529 I HA 0.231 4.405 4.170 0.008 0.000 0.298 529 I C -0.103 175.882 176.117 -0.220 0.000 0.989 529 I CA -0.992 60.089 61.300 -0.365 0.000 1.173 529 I CB 2.080 39.564 38.000 -0.860 0.000 1.338 529 I HN 0.138 nan 8.210 nan 0.000 0.456 530 V N 4.972 124.825 119.914 -0.102 0.000 2.409 530 V HA 0.643 4.768 4.120 0.008 0.000 0.290 530 V C -0.061 176.040 176.094 0.012 0.000 1.017 530 V CA -0.482 61.795 62.300 -0.038 0.000 0.841 530 V CB 1.322 33.113 31.823 -0.052 0.000 1.003 530 V HN 0.829 nan 8.190 nan 0.000 0.426 531 A N 3.548 126.409 122.820 0.069 0.000 2.342 531 A HA 1.008 5.332 4.320 0.008 0.000 0.323 531 A C 0.169 177.815 177.584 0.102 0.000 1.125 531 A CA -0.016 52.084 52.037 0.106 0.000 0.785 531 A CB 1.804 20.910 19.000 0.177 0.000 1.221 531 A HN 1.061 nan 8.150 nan 0.000 0.463 532 G N -0.610 108.267 108.800 0.128 0.000 3.015 532 G HA2 0.483 4.448 3.960 0.008 0.000 0.281 532 G HA3 0.483 4.448 3.960 0.008 0.000 0.281 532 G C 0.415 175.507 174.900 0.320 0.000 1.386 532 G CA 0.312 45.578 45.100 0.278 0.000 0.959 532 G HN 0.538 nan 8.290 nan 0.000 0.522 533 T N -0.547 114.292 114.554 0.476 0.000 2.962 533 T HA 0.333 4.687 4.350 0.008 0.000 0.270 533 T C 0.991 175.830 174.700 0.233 0.000 1.088 533 T CA 1.411 63.610 62.100 0.165 0.000 1.127 533 T CB -0.225 68.570 68.868 -0.123 0.000 0.883 533 T HN 1.221 nan 8.240 nan 0.000 0.493 534 G N -0.259 108.702 108.800 0.269 0.000 2.430 534 G HA2 0.379 4.344 3.960 0.008 0.000 0.300 534 G HA3 0.379 4.344 3.960 0.008 0.000 0.300 534 G C 0.129 175.122 174.900 0.155 0.000 1.330 534 G CA -0.086 45.137 45.100 0.205 0.000 0.813 534 G HN -0.007 nan 8.290 nan 0.000 0.487 535 E N -0.677 119.583 120.200 0.099 0.000 2.021 535 E HA -0.201 4.154 4.350 0.008 0.000 0.200 535 E C 2.404 179.063 176.600 0.098 0.000 1.015 535 E CA 1.953 58.449 56.400 0.160 0.000 0.824 535 E CB -0.144 29.660 29.700 0.173 0.000 0.762 535 E HN 0.390 nan 8.360 nan 0.000 0.454 536 L N 0.323 121.565 121.223 0.032 0.000 1.994 536 L HA -0.214 4.131 4.340 0.008 0.000 0.208 536 L C 2.696 179.576 176.870 0.016 0.000 1.071 536 L CA 2.421 57.242 54.840 -0.031 0.000 0.745 536 L CB -0.611 41.355 42.059 -0.154 0.000 0.892 536 L HN 0.355 nan 8.230 nan 0.000 0.431 537 H N -0.537 118.520 119.070 -0.021 0.000 2.357 537 H HA -0.268 4.293 4.556 0.008 0.000 0.296 537 H C 1.878 177.233 175.328 0.046 0.000 1.108 537 H CA 2.575 58.645 56.048 0.037 0.000 1.273 537 H CB -0.302 29.491 29.762 0.052 0.000 1.367 537 H HN 0.403 nan 8.280 nan 0.000 0.498 538 L N 0.315 121.458 121.223 -0.133 0.000 2.023 538 L HA -0.009 4.335 4.340 0.008 0.000 0.205 538 L C 2.439 179.240 176.870 -0.115 0.000 1.073 538 L CA 2.153 56.886 54.840 -0.179 0.000 0.745 538 L CB -0.983 41.066 42.059 -0.016 0.000 0.900 538 L HN 0.333 nan 8.230 nan 0.000 0.435 539 E N 0.275 120.450 120.200 -0.041 0.000 2.055 539 E HA -0.278 4.076 4.350 0.008 0.000 0.209 539 E C 2.067 178.638 176.600 -0.049 0.000 1.036 539 E CA 2.542 58.922 56.400 -0.033 0.000 0.849 539 E CB -0.512 29.178 29.700 -0.017 0.000 0.767 539 E HN 0.439 nan 8.360 nan 0.000 0.461 540 I N 0.646 121.201 120.570 -0.024 0.000 2.087 540 I HA -0.370 3.804 4.170 0.008 0.000 0.240 540 I C 2.697 178.789 176.117 -0.041 0.000 1.054 540 I CA 1.304 62.614 61.300 0.016 0.000 1.311 540 I CB -1.768 36.308 38.000 0.127 0.000 1.024 540 I HN 0.320 nan 8.210 nan 0.000 0.402 541 C N 0.679 119.911 119.300 -0.113 0.000 2.391 541 C HA -0.199 4.265 4.460 0.008 0.000 0.276 541 C C 2.982 177.890 174.990 -0.137 0.000 1.217 541 C CA 0.745 59.670 59.018 -0.154 0.000 1.766 541 C CB -1.286 26.303 27.740 -0.252 0.000 2.046 541 C HN 0.478 nan 8.230 nan 0.000 0.475 542 L N -0.180 120.970 121.223 -0.122 0.000 2.093 542 L HA -0.201 4.144 4.340 0.008 0.000 0.208 542 L C 2.763 179.542 176.870 -0.153 0.000 1.085 542 L CA 1.409 56.179 54.840 -0.117 0.000 0.755 542 L CB -0.758 41.245 42.059 -0.093 0.000 0.904 542 L HN 0.493 nan 8.230 nan 0.000 0.435 543 Q N 0.193 119.896 119.800 -0.162 0.000 1.993 543 Q HA -0.228 4.117 4.340 0.008 0.000 0.202 543 Q C 1.783 177.629 176.000 -0.257 0.000 0.984 543 Q CA 1.936 57.566 55.803 -0.289 0.000 0.837 543 Q CB -0.205 28.441 28.738 -0.154 0.000 0.902 543 Q HN 0.439 nan 8.270 nan 0.000 0.423 544 D N 0.414 120.778 120.400 -0.060 0.000 2.271 544 D HA -0.157 4.488 4.640 0.008 0.000 0.207 544 D C 1.527 177.941 176.300 0.189 0.000 0.983 544 D CA 0.669 54.727 54.000 0.096 0.000 0.878 544 D CB -0.020 40.863 40.800 0.137 0.000 0.920 544 D HN 0.080 nan 8.370 nan 0.000 0.479 545 L N 0.319 121.549 121.223 0.011 0.000 2.102 545 L HA 0.048 4.393 4.340 0.008 0.000 0.202 545 L C 1.790 178.681 176.870 0.036 0.000 1.076 545 L CA 1.510 56.361 54.840 0.019 0.000 0.761 545 L CB -0.226 41.780 42.059 -0.088 0.000 0.921 545 L HN -0.109 nan 8.230 nan 0.000 0.444 546 E N -1.875 118.295 120.200 -0.049 0.000 2.478 546 E HA -0.150 4.205 4.350 0.008 0.000 0.198 546 E C 1.212 177.929 176.600 0.196 0.000 1.046 546 E CA 0.574 56.976 56.400 0.004 0.000 0.870 546 E CB 0.062 29.719 29.700 -0.071 0.000 0.818 546 E HN 0.715 nan 8.360 nan 0.000 0.527 547 H N -1.768 117.326 119.070 0.039 0.000 2.927 547 H HA 0.104 4.664 4.556 0.008 0.000 0.255 547 H C 0.715 176.052 175.328 0.015 0.000 0.974 547 H CA -0.012 56.051 56.048 0.025 0.000 1.199 547 H CB 0.812 30.589 29.762 0.025 0.000 1.447 547 H HN 0.052 nan 8.280 nan 0.000 0.467 548 D N -0.757 119.734 120.400 0.153 0.000 3.163 548 D HA 0.003 4.648 4.640 0.008 0.000 0.228 548 D C 1.740 178.023 176.300 -0.028 0.000 1.521 548 D CA 0.083 54.092 54.000 0.015 0.000 1.334 548 D CB -0.331 40.416 40.800 -0.087 0.000 1.126 548 D HN 0.284 nan 8.370 nan 0.000 0.304 549 H N 0.988 120.059 119.070 0.002 0.000 2.431 549 H HA -0.079 4.482 4.556 0.008 0.000 0.297 549 H C 1.275 176.594 175.328 -0.015 0.000 1.115 549 H CA 1.742 57.782 56.048 -0.012 0.000 1.277 549 H CB 0.472 30.223 29.762 -0.019 0.000 1.372 549 H HN 0.159 nan 8.280 nan 0.000 0.516 550 A N -0.873 122.013 122.820 0.110 0.000 2.048 550 A HA 0.390 4.715 4.320 0.008 0.000 0.197 550 A C 2.134 179.742 177.584 0.041 0.000 1.486 550 A CA 0.866 52.933 52.037 0.050 0.000 1.029 550 A CB 0.067 19.083 19.000 0.027 0.000 1.101 550 A HN 0.380 nan 8.150 nan 0.000 0.470 551 G N -0.392 108.447 108.800 0.066 0.000 2.219 551 G HA2 -0.231 3.734 3.960 0.008 0.000 0.271 551 G HA3 -0.231 3.734 3.960 0.008 0.000 0.271 551 G C 0.303 175.235 174.900 0.053 0.000 0.991 551 G CA 0.836 45.977 45.100 0.068 0.000 0.685 551 G HN 1.006 nan 8.290 nan 0.000 0.531 552 V N 0.992 120.931 119.914 0.041 0.000 2.472 552 V HA 0.454 4.579 4.120 0.008 0.000 0.290 552 V C -1.687 174.427 176.094 0.032 0.000 1.037 552 V CA -1.846 60.470 62.300 0.027 0.000 0.908 552 V CB 1.858 33.686 31.823 0.009 0.000 0.985 552 V HN 0.013 nan 8.190 nan 0.000 0.454 553 P HA 0.212 nan 4.420 nan 0.000 0.264 553 P C -0.853 176.456 177.300 0.015 0.000 1.193 553 P CA 0.444 63.562 63.100 0.031 0.000 0.763 553 P CB 0.369 32.084 31.700 0.025 0.000 0.810 554 L N 2.553 123.783 121.223 0.011 0.000 2.309 554 L HA 0.536 4.881 4.340 0.008 0.000 0.261 554 L C 0.366 177.234 176.870 -0.002 0.000 1.021 554 L CA -0.954 53.885 54.840 -0.002 0.000 0.823 554 L CB 2.159 44.209 42.059 -0.015 0.000 1.366 554 L HN 0.146 nan 8.230 nan 0.000 0.423 555 K N 1.874 122.273 120.400 -0.003 0.000 2.334 555 K HA 0.551 4.875 4.320 0.008 0.000 0.265 555 K C -1.356 175.239 176.600 -0.007 0.000 1.039 555 K CA -0.551 55.735 56.287 -0.003 0.000 0.920 555 K CB 0.720 33.222 32.500 0.002 0.000 1.160 555 K HN 0.336 nan 8.250 nan 0.000 0.451 556 I N 3.076 123.638 120.570 -0.013 0.000 2.385 556 I HA 0.128 4.302 4.170 0.008 0.000 0.294 556 I C 0.432 176.538 176.117 -0.018 0.000 0.988 556 I CA -0.096 61.192 61.300 -0.019 0.000 1.265 556 I CB 1.764 39.747 38.000 -0.028 0.000 1.388 556 I HN 0.563 nan 8.210 nan 0.000 0.480 557 S N 5.493 121.183 115.700 -0.016 0.000 2.632 557 S HA 0.634 5.109 4.470 0.008 0.000 0.267 557 S C -2.541 172.039 174.600 -0.032 0.000 1.276 557 S CA -1.275 56.913 58.200 -0.020 0.000 0.998 557 S CB 0.530 63.722 63.200 -0.013 0.000 0.953 557 S HN 0.310 nan 8.310 nan 0.000 0.547 558 P HA 0.302 nan 4.420 nan 0.000 0.269 558 P C -2.507 174.741 177.300 -0.087 0.000 1.215 558 P CA -0.982 62.070 63.100 -0.080 0.000 0.780 558 P CB -0.610 31.035 31.700 -0.093 0.000 0.898 559 P HA 0.081 nan 4.420 nan 0.000 0.266 559 P C -0.861 176.380 177.300 -0.098 0.000 1.195 559 P CA 0.537 63.568 63.100 -0.114 0.000 0.768 559 P CB 0.407 31.950 31.700 -0.262 0.000 0.838 560 V N 3.809 123.790 119.914 0.112 0.000 2.841 560 V HA 0.224 4.349 4.120 0.008 0.000 0.310 560 V C -0.123 176.132 176.094 0.269 0.000 1.090 560 V CA -0.804 61.605 62.300 0.183 0.000 0.930 560 V CB 2.604 34.513 31.823 0.144 0.000 1.014 560 V HN 0.179 nan 8.190 nan 0.000 0.425 561 V N 3.223 123.301 119.914 0.272 0.000 2.583 561 V HA 0.594 4.718 4.120 0.008 0.000 0.287 561 V C 0.715 176.804 176.094 -0.009 0.000 1.051 561 V CA -0.262 62.078 62.300 0.067 0.000 1.010 561 V CB 1.484 33.242 31.823 -0.108 0.000 0.988 561 V HN 1.022 nan 8.190 nan 0.000 0.478 562 A N 4.904 127.703 122.820 -0.034 0.000 2.362 562 A HA 0.653 4.978 4.320 0.008 0.000 0.276 562 A C -0.776 176.827 177.584 0.033 0.000 1.153 562 A CA -0.146 51.931 52.037 0.067 0.000 0.813 562 A CB -0.048 19.018 19.000 0.110 0.000 1.081 562 A HN 0.722 nan 8.150 nan 0.000 0.507 563 Y N 1.089 121.511 120.300 0.204 0.000 2.654 563 Y HA 0.763 5.318 4.550 0.008 0.000 0.328 563 Y C 0.628 176.520 175.900 -0.013 0.000 1.174 563 Y CA -0.490 57.753 58.100 0.240 0.000 1.293 563 Y CB 1.250 39.923 38.460 0.355 0.000 1.464 563 Y HN 0.651 nan 8.280 nan 0.000 0.559 564 R N 0.306 120.887 120.500 0.136 0.000 2.673 564 R HA 0.354 4.698 4.340 0.008 0.000 0.281 564 R C -1.707 174.618 176.300 0.041 0.000 0.991 564 R CA -0.913 55.098 56.100 -0.149 0.000 0.896 564 R CB 1.630 31.611 30.300 -0.532 0.000 1.201 564 R HN 0.608 nan 8.270 nan 0.000 0.457 565 E N 0.622 120.834 120.200 0.019 0.000 2.175 565 E HA 0.498 4.853 4.350 0.008 0.000 0.278 565 E C -0.662 176.107 176.600 0.282 0.000 0.969 565 E CA -0.439 56.082 56.400 0.201 0.000 0.796 565 E CB 2.143 31.905 29.700 0.104 0.000 1.104 565 E HN 0.431 nan 8.360 nan 0.000 0.395 566 T N 0.730 115.466 114.554 0.302 0.000 2.787 566 T HA 0.525 4.880 4.350 0.008 0.000 0.297 566 T C -1.385 173.205 174.700 -0.182 0.000 1.221 566 T CA -0.687 61.488 62.100 0.125 0.000 1.006 566 T CB 1.367 70.264 68.868 0.049 0.000 1.328 566 T HN 0.267 nan 8.240 nan 0.000 0.509 567 V N 0.944 120.702 119.914 -0.260 0.000 2.769 567 V HA 0.796 4.920 4.120 0.008 0.000 0.312 567 V C 0.562 176.557 176.094 -0.166 0.000 1.058 567 V CA -0.575 61.510 62.300 -0.358 0.000 0.952 567 V CB 1.657 33.236 31.823 -0.405 0.000 1.019 567 V HN 0.939 nan 8.190 nan 0.000 0.445 568 E N 1.368 121.479 120.200 -0.150 0.000 2.389 568 E HA 0.257 4.612 4.350 0.008 0.000 0.199 568 E C 0.698 177.251 176.600 -0.077 0.000 0.978 568 E CA 0.895 57.244 56.400 -0.084 0.000 0.912 568 E CB 0.543 30.203 29.700 -0.066 0.000 0.907 568 E HN 1.097 nan 8.360 nan 0.000 0.494 569 S N -1.772 113.867 115.700 -0.102 0.000 2.843 569 S HA 0.368 4.843 4.470 0.008 0.000 0.301 569 S C -0.585 173.955 174.600 -0.100 0.000 1.206 569 S CA -1.074 57.074 58.200 -0.088 0.000 0.875 569 S CB 1.207 64.359 63.200 -0.080 0.000 1.248 569 S HN 0.063 nan 8.310 nan 0.000 0.555 570 E N 0.599 120.745 120.200 -0.091 0.000 2.349 570 E HA 0.450 4.805 4.350 0.008 0.000 0.265 570 E C -0.731 175.806 176.600 -0.105 0.000 1.064 570 E CA -0.549 55.795 56.400 -0.092 0.000 0.886 570 E CB 0.874 30.523 29.700 -0.085 0.000 1.036 570 E HN 0.570 nan 8.360 nan 0.000 0.413 571 S N 2.148 117.787 115.700 -0.101 0.000 2.544 571 S HA -0.053 4.422 4.470 0.008 0.000 0.290 571 S C 1.176 175.686 174.600 -0.151 0.000 1.276 571 S CA -0.112 58.012 58.200 -0.126 0.000 1.075 571 S CB 0.922 64.066 63.200 -0.093 0.000 0.849 571 S HN 0.584 nan 8.310 nan 0.000 0.494 572 S N 2.810 118.389 115.700 -0.201 0.000 2.393 572 S HA -0.240 4.235 4.470 0.008 0.000 0.234 572 S C 0.905 175.391 174.600 -0.190 0.000 1.064 572 S CA 1.793 59.869 58.200 -0.206 0.000 1.088 572 S CB -0.362 62.665 63.200 -0.289 0.000 0.939 572 S HN 0.940 nan 8.310 nan 0.000 0.448 573 Q N -1.330 118.330 119.800 -0.234 0.000 2.565 573 Q HA 0.512 4.856 4.340 0.008 0.000 0.294 573 Q C -1.340 174.601 176.000 -0.098 0.000 1.005 573 Q CA -0.960 54.748 55.803 -0.159 0.000 0.771 573 Q CB 0.820 29.439 28.738 -0.197 0.000 1.486 573 Q HN -0.069 nan 8.270 nan 0.000 0.422 574 T N 1.197 115.755 114.554 0.007 0.000 2.946 574 T HA 0.381 4.736 4.350 0.008 0.000 0.311 574 T C -0.147 174.681 174.700 0.214 0.000 1.063 574 T CA 0.444 62.605 62.100 0.101 0.000 1.139 574 T CB 0.457 69.425 68.868 0.166 0.000 0.994 574 T HN 0.587 nan 8.240 nan 0.000 0.547 575 A N 2.735 125.685 122.820 0.217 0.000 2.306 575 A HA 0.743 5.068 4.320 0.008 0.000 0.314 575 A C -0.677 177.022 177.584 0.192 0.000 1.164 575 A CA -0.666 51.568 52.037 0.328 0.000 0.822 575 A CB 0.567 19.702 19.000 0.224 0.000 1.130 575 A HN 0.700 nan 8.150 nan 0.000 0.496 576 L N 1.444 122.653 121.223 -0.023 0.000 2.455 576 L HA 0.806 5.151 4.340 0.008 0.000 0.264 576 L C -0.600 175.966 176.870 -0.507 0.000 0.968 576 L CA 0.237 54.802 54.840 -0.459 0.000 0.827 576 L CB 2.280 43.937 42.059 -0.669 0.000 1.317 576 L HN 0.581 nan 8.230 nan 0.000 0.407 577 S N 2.589 118.068 115.700 -0.370 0.000 2.546 577 S HA 0.772 5.247 4.470 0.008 0.000 0.274 577 S C -1.668 172.802 174.600 -0.217 0.000 1.121 577 S CA -0.895 57.167 58.200 -0.230 0.000 0.887 577 S CB 1.989 65.135 63.200 -0.090 0.000 1.094 577 S HN 0.685 nan 8.310 nan 0.000 0.474 578 K N -0.032 120.276 120.400 -0.154 0.000 2.375 578 K HA 0.721 5.045 4.320 0.008 0.000 0.249 578 K C -0.079 176.479 176.600 -0.069 0.000 0.942 578 K CA -0.772 55.447 56.287 -0.113 0.000 0.806 578 K CB 1.428 33.862 32.500 -0.108 0.000 1.227 578 K HN 0.552 nan 8.250 nan 0.000 0.430 579 S N 1.115 116.788 115.700 -0.045 0.000 2.592 579 S HA 0.034 4.508 4.470 0.008 0.000 0.256 579 S C -1.772 172.794 174.600 -0.057 0.000 1.369 579 S CA -0.716 57.463 58.200 -0.036 0.000 0.984 579 S CB -0.040 63.155 63.200 -0.009 0.000 0.919 579 S HN 0.537 nan 8.310 nan 0.000 0.576 580 P HA 0.034 nan 4.420 nan 0.000 0.222 580 P C 1.070 178.299 177.300 -0.119 0.000 1.153 580 P CA 0.624 63.679 63.100 -0.075 0.000 0.798 580 P CB -0.059 31.605 31.700 -0.060 0.000 0.796 581 N N 0.587 119.208 118.700 -0.131 0.000 2.137 581 N HA -0.148 4.597 4.740 0.008 0.000 0.190 581 N C 0.451 175.680 175.510 -0.469 0.000 1.017 581 N CA 1.131 54.014 53.050 -0.279 0.000 0.859 581 N CB -0.400 38.009 38.487 -0.130 0.000 1.002 581 N HN 0.188 nan 8.380 nan 0.000 0.428 582 K N -1.729 118.531 120.400 -0.233 0.000 3.299 582 K HA -0.194 4.130 4.320 0.008 0.000 0.284 582 K C -0.276 176.271 176.600 -0.089 0.000 1.235 582 K CA 0.714 56.908 56.287 -0.155 0.000 0.833 582 K CB -2.307 30.096 32.500 -0.162 0.000 1.330 582 K HN 0.571 nan 8.250 nan 0.000 0.510 583 H N -0.506 118.591 119.070 0.044 0.000 3.058 583 H HA 0.166 4.727 4.556 0.008 0.000 0.258 583 H C 0.101 175.475 175.328 0.077 0.000 1.015 583 H CA -0.232 55.870 56.048 0.091 0.000 1.210 583 H CB 0.586 30.464 29.762 0.193 0.000 1.481 583 H HN 0.270 nan 8.280 nan 0.000 0.492 584 N N 0.686 119.481 118.700 0.157 0.000 2.238 584 N HA 0.463 5.208 4.740 0.008 0.000 0.302 584 N C -1.116 174.412 175.510 0.031 0.000 1.072 584 N CA -0.708 52.404 53.050 0.104 0.000 0.792 584 N CB 2.245 40.788 38.487 0.094 0.000 1.425 584 N HN 0.006 nan 8.380 nan 0.000 0.478 585 R N 1.071 121.585 120.500 0.022 0.000 2.744 585 R HA 0.613 4.958 4.340 0.008 0.000 0.279 585 R C -1.105 175.155 176.300 -0.066 0.000 0.977 585 R CA -0.718 55.326 56.100 -0.093 0.000 0.906 585 R CB 2.131 32.336 30.300 -0.159 0.000 1.197 585 R HN 0.423 nan 8.270 nan 0.000 0.463 586 I N 2.633 123.093 120.570 -0.182 0.000 2.447 586 I HA 0.321 4.496 4.170 0.008 0.000 0.287 586 I C -1.179 174.845 176.117 -0.154 0.000 1.023 586 I CA -0.717 60.541 61.300 -0.069 0.000 1.083 586 I CB 1.424 39.410 38.000 -0.024 0.000 1.245 586 I HN 0.482 nan 8.210 nan 0.000 0.434 587 Y N 7.271 127.559 120.300 -0.021 0.000 2.341 587 Y HA 0.674 5.229 4.550 0.008 0.000 0.337 587 Y C -0.143 175.743 175.900 -0.024 0.000 1.014 587 Y CA -0.896 57.195 58.100 -0.015 0.000 1.111 587 Y CB 1.567 40.019 38.460 -0.014 0.000 1.194 587 Y HN 0.401 nan 8.280 nan 0.000 0.462 588 L N 0.219 121.523 121.223 0.135 0.000 2.720 588 L HA 0.772 5.117 4.340 0.008 0.000 0.261 588 L C -1.668 175.236 176.870 0.056 0.000 1.046 588 L CA -1.406 53.470 54.840 0.059 0.000 0.886 588 L CB 2.248 44.320 42.059 0.022 0.000 1.493 588 L HN 0.440 nan 8.230 nan 0.000 0.407 589 K N 0.188 120.596 120.400 0.014 0.000 2.502 589 K HA 0.924 5.248 4.320 0.008 0.000 0.257 589 K C -1.576 175.021 176.600 -0.005 0.000 0.938 589 K CA -0.501 55.787 56.287 0.002 0.000 0.819 589 K CB 2.391 34.876 32.500 -0.024 0.000 1.333 589 K HN 1.097 nan 8.250 nan 0.000 0.434 590 A N 2.485 125.307 122.820 0.003 0.000 2.337 590 A HA 0.608 4.932 4.320 0.008 0.000 0.329 590 A C -1.173 176.390 177.584 -0.035 0.000 1.146 590 A CA -0.506 51.539 52.037 0.013 0.000 0.800 590 A CB 0.858 19.899 19.000 0.068 0.000 1.220 590 A HN 0.824 nan 8.150 nan 0.000 0.472 591 E N 1.556 121.736 120.200 -0.033 0.000 2.413 591 E HA 0.641 4.995 4.350 0.008 0.000 0.277 591 E C -3.130 173.451 176.600 -0.031 0.000 0.958 591 E CA -2.203 54.163 56.400 -0.057 0.000 0.779 591 E CB 1.651 31.302 29.700 -0.080 0.000 1.278 591 E HN 0.276 nan 8.360 nan 0.000 0.456 592 P HA 0.124 nan 4.420 nan 0.000 0.270 592 P C -0.604 176.719 177.300 0.038 0.000 1.223 592 P CA -0.097 63.000 63.100 -0.005 0.000 0.785 592 P CB 0.457 32.146 31.700 -0.018 0.000 0.923 593 I N 1.197 121.814 120.570 0.078 0.000 2.603 593 I HA 0.251 4.426 4.170 0.008 0.000 0.300 593 I C 0.082 176.271 176.117 0.120 0.000 1.017 593 I CA -0.635 60.752 61.300 0.144 0.000 1.098 593 I CB 1.599 39.692 38.000 0.154 0.000 1.279 593 I HN 0.197 nan 8.210 nan 0.000 0.437 594 D N 4.833 125.326 120.400 0.155 0.000 2.308 594 D HA 0.045 4.689 4.640 0.008 0.000 0.251 594 D C 1.085 177.456 176.300 0.119 0.000 1.127 594 D CA -0.290 53.789 54.000 0.131 0.000 0.876 594 D CB 1.758 42.657 40.800 0.166 0.000 1.176 594 D HN 0.411 nan 8.370 nan 0.000 0.446 595 E N 1.640 121.904 120.200 0.106 0.000 2.169 595 E HA -0.232 4.122 4.350 0.008 0.000 0.202 595 E C 1.428 178.095 176.600 0.111 0.000 1.016 595 E CA 1.254 57.719 56.400 0.109 0.000 0.817 595 E CB 0.286 30.050 29.700 0.106 0.000 0.736 595 E HN 0.453 nan 8.360 nan 0.000 0.462 596 E N -0.068 120.210 120.200 0.130 0.000 2.058 596 E HA -0.140 4.215 4.350 0.008 0.000 0.194 596 E C 2.359 178.996 176.600 0.061 0.000 0.997 596 E CA 1.152 57.651 56.400 0.165 0.000 0.801 596 E CB -0.397 29.470 29.700 0.278 0.000 0.746 596 E HN 0.211 nan 8.360 nan 0.000 0.450 597 V N 1.048 120.958 119.914 -0.006 0.000 2.295 597 V HA -0.212 3.913 4.120 0.008 0.000 0.246 597 V C 2.441 178.469 176.094 -0.110 0.000 1.049 597 V CA 1.840 64.011 62.300 -0.215 0.000 1.024 597 V CB -0.891 30.882 31.823 -0.083 0.000 0.648 597 V HN 0.108 nan 8.190 nan 0.000 0.447 598 S N 0.595 116.301 115.700 0.009 0.000 2.353 598 S HA -0.168 4.307 4.470 0.008 0.000 0.222 598 S C 1.931 176.565 174.600 0.057 0.000 1.035 598 S CA 1.666 59.895 58.200 0.048 0.000 1.025 598 S CB -0.478 62.770 63.200 0.079 0.000 0.902 598 S HN 0.355 nan 8.310 nan 0.000 0.440 599 L N 1.597 122.865 121.223 0.075 0.000 2.042 599 L HA -0.044 4.301 4.340 0.008 0.000 0.210 599 L C 2.625 179.528 176.870 0.055 0.000 1.076 599 L CA 1.683 56.581 54.840 0.097 0.000 0.749 599 L CB -1.548 40.580 42.059 0.115 0.000 0.893 599 L HN 0.316 nan 8.230 nan 0.000 0.432 600 A N -0.668 122.142 122.820 -0.017 0.000 1.940 600 A HA -0.182 4.142 4.320 0.008 0.000 0.219 600 A C 2.332 179.883 177.584 -0.055 0.000 1.176 600 A CA 1.772 53.763 52.037 -0.077 0.000 0.631 600 A CB -0.621 18.142 19.000 -0.395 0.000 0.814 600 A HN 0.408 nan 8.150 nan 0.000 0.446 601 I N -1.030 119.518 120.570 -0.037 0.000 2.286 601 I HA -0.185 3.990 4.170 0.008 0.000 0.245 601 I C 2.401 178.524 176.117 0.010 0.000 1.104 601 I CA 1.322 62.627 61.300 0.008 0.000 1.397 601 I CB -0.406 37.654 38.000 0.100 0.000 1.072 601 I HN 0.367 nan 8.210 nan 0.000 0.417 602 E N 0.850 121.076 120.200 0.044 0.000 2.204 602 E HA -0.129 4.226 4.350 0.008 0.000 0.194 602 E C 0.658 177.296 176.600 0.063 0.000 0.989 602 E CA 0.696 57.134 56.400 0.064 0.000 0.824 602 E CB 0.053 29.824 29.700 0.118 0.000 0.756 602 E HN 0.400 nan 8.360 nan 0.000 0.477 603 N N -0.238 118.498 118.700 0.060 0.000 2.451 603 N HA 0.081 4.826 4.740 0.008 0.000 0.264 603 N C 0.557 176.099 175.510 0.054 0.000 1.167 603 N CA 0.655 53.747 53.050 0.069 0.000 0.898 603 N CB 1.031 39.567 38.487 0.082 0.000 1.176 603 N HN 0.223 nan 8.380 nan 0.000 0.507 604 G N 0.806 109.624 108.800 0.030 0.000 2.284 604 G HA2 -0.362 3.603 3.960 0.008 0.000 0.268 604 G HA3 -0.362 3.603 3.960 0.008 0.000 0.268 604 G C 1.199 176.106 174.900 0.012 0.000 0.980 604 G CA 0.658 45.771 45.100 0.021 0.000 0.631 604 G HN 0.345 nan 8.290 nan 0.000 0.548 605 I N 1.106 121.689 120.570 0.022 0.000 2.058 605 I HA -0.060 4.114 4.170 0.008 0.000 0.235 605 I C 1.801 177.922 176.117 0.007 0.000 1.053 605 I CA 1.007 62.328 61.300 0.035 0.000 1.313 605 I CB -1.295 36.748 38.000 0.072 0.000 1.039 605 I HN 0.116 nan 8.210 nan 0.000 0.396 606 I N 3.111 123.659 120.570 -0.036 0.000 2.363 606 I HA 0.088 4.263 4.170 0.008 0.000 0.292 606 I C 0.322 176.399 176.117 -0.067 0.000 1.075 606 I CA 0.187 61.467 61.300 -0.034 0.000 1.333 606 I CB -0.733 37.234 38.000 -0.054 0.000 1.415 606 I HN 0.303 nan 8.210 nan 0.000 0.502 607 N N 8.854 127.506 118.700 -0.080 0.000 2.342 607 N HA 0.362 5.106 4.740 0.008 0.000 0.293 607 N C -2.168 173.165 175.510 -0.294 0.000 1.026 607 N CA -1.762 51.164 53.050 -0.207 0.000 0.857 607 N CB 3.060 41.490 38.487 -0.095 0.000 1.256 607 N HN 0.083 nan 8.380 nan 0.000 0.484 608 P HA -0.043 nan 4.420 nan 0.000 0.218 608 P C 0.514 177.752 177.300 -0.104 0.000 1.148 608 P CA 1.423 64.218 63.100 -0.508 0.000 0.822 608 P CB 0.315 31.649 31.700 -0.610 0.000 0.784 609 R N -1.444 118.998 120.500 -0.097 0.000 2.276 609 R HA 0.102 4.447 4.340 0.008 0.000 0.196 609 R C 0.509 176.822 176.300 0.021 0.000 0.961 609 R CA 0.099 56.188 56.100 -0.018 0.000 1.024 609 R CB -0.670 29.617 30.300 -0.022 0.000 0.940 609 R HN 0.225 nan 8.270 nan 0.000 0.480 610 D N 1.869 122.281 120.400 0.020 0.000 2.325 610 D HA -0.059 4.586 4.640 0.008 0.000 0.237 610 D C -0.372 175.974 176.300 0.077 0.000 1.328 610 D CA 0.184 54.209 54.000 0.041 0.000 0.918 610 D CB 0.261 41.084 40.800 0.039 0.000 1.156 610 D HN -0.054 nan 8.370 nan 0.000 0.485 611 D N -1.029 119.398 120.400 0.045 0.000 2.312 611 D HA 0.072 4.716 4.640 0.008 0.000 0.252 611 D C 1.072 177.392 176.300 0.032 0.000 1.150 611 D CA -0.413 53.601 54.000 0.023 0.000 0.870 611 D CB 0.236 40.988 40.800 -0.081 0.000 1.153 611 D HN 0.299 nan 8.370 nan 0.000 0.457 612 F N 3.340 123.323 119.950 0.055 0.000 2.147 612 F HA -0.192 4.339 4.527 0.008 0.000 0.301 612 F C 1.613 177.447 175.800 0.057 0.000 1.084 612 F CA 0.948 58.988 58.000 0.067 0.000 1.268 612 F CB -0.433 38.612 39.000 0.075 0.000 1.009 612 F HN 0.229 nan 8.300 nan 0.000 0.486 613 K N 1.175 121.155 120.400 -0.700 0.000 2.001 613 K HA -0.027 4.298 4.320 0.008 0.000 0.208 613 K C 2.586 179.087 176.600 -0.166 0.000 1.048 613 K CA 1.195 57.211 56.287 -0.451 0.000 0.932 613 K CB -0.760 31.388 32.500 -0.588 0.000 0.715 613 K HN 0.375 nan 8.250 nan 0.000 0.437 614 A N 2.063 124.795 122.820 -0.147 0.000 1.873 614 A HA -0.244 4.081 4.320 0.008 0.000 0.218 614 A C 2.187 179.764 177.584 -0.011 0.000 1.193 614 A CA 1.861 53.862 52.037 -0.060 0.000 0.629 614 A CB -0.649 18.323 19.000 -0.047 0.000 0.826 614 A HN 0.285 nan 8.150 nan 0.000 0.447 615 R N -0.461 120.045 120.500 0.010 0.000 2.105 615 R HA -0.119 4.226 4.340 0.008 0.000 0.239 615 R C 2.261 178.586 176.300 0.041 0.000 1.135 615 R CA 1.447 57.572 56.100 0.042 0.000 0.967 615 R CB -0.404 29.947 30.300 0.084 0.000 0.861 615 R HN 0.473 nan 8.270 nan 0.000 0.442 616 A N 0.962 123.814 122.820 0.053 0.000 1.877 616 A HA -0.181 4.143 4.320 0.008 0.000 0.216 616 A C 2.148 179.777 177.584 0.074 0.000 1.186 616 A CA 1.433 53.516 52.037 0.077 0.000 0.620 616 A CB -0.518 18.548 19.000 0.109 0.000 0.822 616 A HN 0.256 nan 8.150 nan 0.000 0.443 617 R N 0.122 120.651 120.500 0.048 0.000 2.094 617 R HA -0.149 4.196 4.340 0.008 0.000 0.239 617 R C 1.882 178.221 176.300 0.065 0.000 1.137 617 R CA 1.927 58.054 56.100 0.046 0.000 0.943 617 R CB -0.694 29.616 30.300 0.017 0.000 0.850 617 R HN 0.520 nan 8.270 nan 0.000 0.433 618 I N 0.233 120.843 120.570 0.067 0.000 2.091 618 I HA -0.332 3.842 4.170 0.008 0.000 0.239 618 I C 2.367 178.596 176.117 0.186 0.000 1.061 618 I CA 1.794 63.159 61.300 0.108 0.000 1.317 618 I CB -1.071 36.997 38.000 0.114 0.000 1.031 618 I HN 0.292 nan 8.210 nan 0.000 0.401 619 M N 0.193 119.877 119.600 0.141 0.000 2.108 619 M HA -0.220 4.265 4.480 0.008 0.000 0.261 619 M C 2.437 178.893 176.300 0.260 0.000 1.066 619 M CA 2.171 57.554 55.300 0.137 0.000 1.107 619 M CB -0.411 32.059 32.600 -0.216 0.000 1.356 619 M HN 0.330 nan 8.290 nan 0.000 0.406 620 A N 0.525 123.472 122.820 0.211 0.000 1.845 620 A HA -0.189 4.136 4.320 0.008 0.000 0.215 620 A C 1.642 179.318 177.584 0.153 0.000 1.195 620 A CA 2.132 54.297 52.037 0.213 0.000 0.616 620 A CB -0.838 18.253 19.000 0.151 0.000 0.832 620 A HN 0.378 nan 8.150 nan 0.000 0.443 621 D N 0.502 120.961 120.400 0.098 0.000 2.096 621 D HA -0.115 4.529 4.640 0.008 0.000 0.200 621 D C 1.360 177.653 176.300 -0.011 0.000 0.980 621 D CA 1.565 55.589 54.000 0.040 0.000 0.860 621 D CB -0.628 40.184 40.800 0.019 0.000 1.005 621 D HN 0.391 nan 8.370 nan 0.000 0.449 622 D N -1.028 119.324 120.400 -0.080 0.000 2.310 622 D HA -0.115 4.530 4.640 0.008 0.000 0.212 622 D C 0.871 176.808 176.300 -0.604 0.000 0.965 622 D CA 0.779 54.563 54.000 -0.360 0.000 0.879 622 D CB -0.015 40.475 40.800 -0.515 0.000 0.921 622 D HN 0.407 nan 8.370 nan 0.000 0.510 623 Y N -0.836 119.516 120.300 0.086 0.000 2.626 623 Y HA 0.339 4.894 4.550 0.008 0.000 0.248 623 Y C 1.269 177.306 175.900 0.229 0.000 1.147 623 Y CA -0.354 57.829 58.100 0.137 0.000 1.219 623 Y CB 0.812 39.335 38.460 0.105 0.000 1.279 623 Y HN -0.088 nan 8.280 nan 0.000 0.541 624 G N 0.553 109.517 108.800 0.272 0.000 2.351 624 G HA2 -0.297 3.668 3.960 0.008 0.000 0.297 624 G HA3 -0.297 3.668 3.960 0.008 0.000 0.297 624 G C -0.700 174.373 174.900 0.289 0.000 1.054 624 G CA -0.170 45.063 45.100 0.221 0.000 1.123 624 G HN 0.299 nan 8.290 nan 0.000 0.512 625 W N -0.147 121.200 121.300 0.079 0.000 2.761 625 W HA 0.548 5.213 4.660 0.008 0.000 0.340 625 W C -0.224 176.320 176.519 0.042 0.000 1.072 625 W CA -0.895 56.485 57.345 0.058 0.000 1.215 625 W CB 1.354 30.857 29.460 0.071 0.000 1.420 625 W HN 0.151 nan 8.180 nan 0.000 0.519 626 D N 2.050 122.526 120.400 0.126 0.000 2.346 626 D HA -0.023 4.622 4.640 0.008 0.000 0.260 626 D C 1.308 177.713 176.300 0.174 0.000 1.252 626 D CA 0.298 54.355 54.000 0.095 0.000 0.895 626 D CB 1.606 42.409 40.800 0.004 0.000 1.097 626 D HN 0.235 nan 8.370 nan 0.000 0.489 627 V N 3.617 123.623 119.914 0.154 0.000 2.636 627 V HA -0.309 3.816 4.120 0.008 0.000 0.258 627 V C 1.801 177.984 176.094 0.150 0.000 1.092 627 V CA 2.244 64.638 62.300 0.155 0.000 1.110 627 V CB -0.247 31.641 31.823 0.108 0.000 0.685 627 V HN 0.633 nan 8.190 nan 0.000 0.481 628 T N -0.262 114.360 114.554 0.115 0.000 2.614 628 T HA -0.168 4.187 4.350 0.008 0.000 0.263 628 T C 1.609 176.378 174.700 0.114 0.000 1.055 628 T CA 1.663 63.819 62.100 0.094 0.000 1.162 628 T CB -0.454 68.443 68.868 0.048 0.000 0.863 628 T HN 0.561 nan 8.240 nan 0.000 0.414 629 D N 1.545 122.011 120.400 0.110 0.000 2.103 629 D HA -0.113 4.532 4.640 0.008 0.000 0.190 629 D C 2.370 178.833 176.300 0.270 0.000 0.997 629 D CA 1.526 55.607 54.000 0.135 0.000 0.833 629 D CB -0.608 40.221 40.800 0.049 0.000 0.961 629 D HN 0.387 nan 8.370 nan 0.000 0.447 630 A N 0.809 123.874 122.820 0.409 0.000 2.084 630 A HA -0.202 4.123 4.320 0.008 0.000 0.221 630 A C 2.079 179.786 177.584 0.205 0.000 1.161 630 A CA 1.236 53.453 52.037 0.299 0.000 0.653 630 A CB -0.446 18.703 19.000 0.249 0.000 0.802 630 A HN 0.162 nan 8.150 nan 0.000 0.457 631 R N -1.001 119.631 120.500 0.220 0.000 2.297 631 R HA 0.060 4.405 4.340 0.008 0.000 0.197 631 R C 0.406 176.818 176.300 0.186 0.000 0.943 631 R CA 0.406 56.673 56.100 0.279 0.000 1.038 631 R CB 0.145 30.624 30.300 0.299 0.000 0.957 631 R HN 0.204 nan 8.270 nan 0.000 0.484 632 K N 0.867 121.349 120.400 0.135 0.000 2.498 632 K HA 0.246 4.571 4.320 0.008 0.000 0.207 632 K C 0.131 176.783 176.600 0.086 0.000 1.033 632 K CA -0.052 56.287 56.287 0.087 0.000 1.138 632 K CB 0.483 32.989 32.500 0.010 0.000 0.860 632 K HN 0.131 nan 8.250 nan 0.000 0.490 633 I N 0.615 121.249 120.570 0.107 0.000 2.556 633 I HA -0.094 4.080 4.170 0.008 0.000 0.284 633 I C 0.871 177.117 176.117 0.214 0.000 1.114 633 I CA -0.105 61.227 61.300 0.052 0.000 1.418 633 I CB 0.475 38.441 38.000 -0.055 0.000 1.394 633 I HN 0.143 nan 8.210 nan 0.000 0.552 634 W N 6.033 127.270 121.300 -0.105 0.000 2.683 634 W HA 0.167 4.831 4.660 0.008 0.000 0.267 634 W C 0.606 177.110 176.519 -0.024 0.000 1.243 634 W CA -0.305 56.997 57.345 -0.071 0.000 1.380 634 W CB 0.079 29.485 29.460 -0.090 0.000 1.063 634 W HN 0.686 nan 8.180 nan 0.000 0.599 635 C N -3.298 116.104 119.300 0.170 0.000 3.197 635 C HA 0.554 5.019 4.460 0.008 0.000 0.343 635 C C -0.557 174.541 174.990 0.180 0.000 1.291 635 C CA -1.908 57.242 59.018 0.220 0.000 1.191 635 C CB 0.084 27.965 27.740 0.235 0.000 1.444 635 C HN -0.063 nan 8.230 nan 0.000 0.468 636 F N 0.956 121.000 119.950 0.156 0.000 2.518 636 F HA 0.895 5.427 4.527 0.008 0.000 0.338 636 F C 1.144 177.079 175.800 0.225 0.000 1.065 636 F CA 0.628 58.735 58.000 0.179 0.000 1.012 636 F CB 2.277 41.322 39.000 0.074 0.000 1.297 636 F HN 1.214 nan 8.300 nan 0.000 0.489 637 G N 0.524 109.538 108.800 0.357 0.000 2.579 637 G HA2 0.531 4.496 3.960 0.008 0.000 0.292 637 G HA3 0.531 4.496 3.960 0.008 0.000 0.292 637 G C -3.382 171.476 174.900 -0.070 0.000 1.484 637 G CA -1.180 43.951 45.100 0.050 0.000 0.813 637 G HN 0.203 nan 8.290 nan 0.000 0.515 638 P HA 0.251 nan 4.420 nan 0.000 0.293 638 P C -0.356 176.844 177.300 -0.166 0.000 1.298 638 P CA -0.150 62.812 63.100 -0.230 0.000 0.757 638 P CB 0.396 31.926 31.700 -0.283 0.000 1.262 639 D N -1.382 118.888 120.400 -0.216 0.000 2.782 639 D HA -0.209 4.436 4.640 0.008 0.000 0.231 639 D C 0.882 177.120 176.300 -0.102 0.000 1.163 639 D CA 1.647 55.542 54.000 -0.175 0.000 0.680 639 D CB -1.810 38.887 40.800 -0.172 0.000 1.062 639 D HN 0.858 nan 8.370 nan 0.000 0.425 640 G N 1.202 109.968 108.800 -0.056 0.000 2.233 640 G HA2 -0.367 3.598 3.960 0.008 0.000 0.270 640 G HA3 -0.367 3.598 3.960 0.008 0.000 0.270 640 G C 0.592 175.506 174.900 0.023 0.000 1.011 640 G CA 1.207 46.321 45.100 0.025 0.000 0.762 640 G HN 0.727 nan 8.290 nan 0.000 0.511 641 N N -2.028 116.674 118.700 0.005 0.000 1.958 641 N HA 0.256 5.001 4.740 0.008 0.000 0.223 641 N C 0.956 176.458 175.510 -0.013 0.000 1.395 641 N CA 0.707 53.703 53.050 -0.091 0.000 0.737 641 N CB -0.438 37.955 38.487 -0.158 0.000 1.155 641 N HN 0.719 nan 8.380 nan 0.000 0.529 642 G N 1.078 109.915 108.800 0.062 0.000 2.653 642 G HA2 0.327 4.292 3.960 0.008 0.000 0.265 642 G HA3 0.327 4.292 3.960 0.008 0.000 0.265 642 G C -1.986 173.018 174.900 0.173 0.000 1.237 642 G CA -1.073 44.060 45.100 0.056 0.000 0.946 642 G HN 0.080 nan 8.290 nan 0.000 0.522 643 P HA 0.107 nan 4.420 nan 0.000 0.226 643 P C -0.923 176.449 177.300 0.120 0.000 1.758 643 P CA -0.075 63.099 63.100 0.123 0.000 0.896 643 P CB -0.369 31.366 31.700 0.060 0.000 1.784 644 N N 0.065 118.871 118.700 0.177 0.000 2.277 644 N HA 0.626 5.371 4.740 0.008 0.000 0.286 644 N C -0.980 174.681 175.510 0.252 0.000 1.140 644 N CA -0.649 52.539 53.050 0.230 0.000 0.799 644 N CB 1.945 40.575 38.487 0.239 0.000 1.596 644 N HN -0.068 nan 8.380 nan 0.000 0.473 645 L N 0.213 121.542 121.223 0.176 0.000 2.415 645 L HA 0.736 5.080 4.340 0.008 0.000 0.256 645 L C -1.226 175.457 176.870 -0.312 0.000 1.010 645 L CA -1.153 53.623 54.840 -0.108 0.000 0.826 645 L CB 2.243 44.159 42.059 -0.238 0.000 1.405 645 L HN 0.168 nan 8.230 nan 0.000 0.410 646 V N 3.073 122.704 119.914 -0.472 0.000 2.407 646 V HA 0.457 4.582 4.120 0.008 0.000 0.291 646 V C -0.376 175.544 176.094 -0.290 0.000 1.018 646 V CA -0.421 61.565 62.300 -0.523 0.000 0.842 646 V CB 1.926 33.343 31.823 -0.676 0.000 0.996 646 V HN 0.375 nan 8.190 nan 0.000 0.426 647 I N 3.494 123.911 120.570 -0.255 0.000 2.359 647 I HA 0.321 4.496 4.170 0.008 0.000 0.294 647 I C 0.070 175.952 176.117 -0.393 0.000 0.987 647 I CA -0.423 60.750 61.300 -0.212 0.000 1.225 647 I CB 1.675 39.622 38.000 -0.088 0.000 1.366 647 I HN 0.655 nan 8.210 nan 0.000 0.466 648 D N 5.896 125.979 120.400 -0.529 0.000 2.483 648 D HA 0.117 4.761 4.640 0.008 0.000 0.220 648 D C 0.338 176.434 176.300 -0.340 0.000 1.173 648 D CA 0.026 53.605 54.000 -0.702 0.000 0.964 648 D CB 0.470 40.651 40.800 -1.032 0.000 1.046 648 D HN 0.431 nan 8.370 nan 0.000 0.517 649 Q N 1.784 121.426 119.800 -0.264 0.000 2.222 649 Q HA 0.086 4.430 4.340 0.008 0.000 0.206 649 Q C 0.616 176.537 176.000 -0.132 0.000 0.877 649 Q CA -0.145 55.562 55.803 -0.161 0.000 0.958 649 Q CB 0.319 28.977 28.738 -0.134 0.000 1.075 649 Q HN 0.593 nan 8.270 nan 0.000 0.483 650 T N -1.039 113.424 114.554 -0.151 0.000 2.748 650 T HA 0.228 4.583 4.350 0.008 0.000 0.304 650 T C -0.010 174.653 174.700 -0.063 0.000 1.041 650 T CA -0.428 61.614 62.100 -0.098 0.000 1.033 650 T CB 0.937 69.756 68.868 -0.083 0.000 0.995 650 T HN 0.001 nan 8.240 nan 0.000 0.536 651 K N 0.921 121.293 120.400 -0.047 0.000 2.613 651 K HA 0.590 4.915 4.320 0.008 0.000 0.248 651 K C -0.127 176.459 176.600 -0.024 0.000 0.959 651 K CA -0.533 55.734 56.287 -0.034 0.000 0.855 651 K CB 1.660 34.135 32.500 -0.042 0.000 1.143 651 K HN 1.030 nan 8.250 nan 0.000 0.437 652 A N 1.306 124.120 122.820 -0.011 0.000 2.739 652 A HA -0.132 4.192 4.320 0.008 0.000 0.296 652 A C -0.194 177.382 177.584 -0.013 0.000 1.488 652 A CA 0.303 52.332 52.037 -0.013 0.000 0.746 652 A CB -1.797 17.189 19.000 -0.023 0.000 1.047 652 A HN 0.350 nan 8.150 nan 0.000 0.477 653 V N 2.047 121.966 119.914 0.008 0.000 2.320 653 V HA 0.262 4.387 4.120 0.008 0.000 0.265 653 V C 0.801 176.904 176.094 0.015 0.000 1.048 653 V CA 0.436 62.748 62.300 0.020 0.000 0.865 653 V CB 1.241 33.093 31.823 0.050 0.000 1.043 653 V HN 0.814 nan 8.190 nan 0.000 0.474 654 Q N 4.321 124.082 119.800 -0.065 0.000 2.349 654 Q HA -0.023 4.322 4.340 0.008 0.000 0.287 654 Q C 0.077 176.004 176.000 -0.121 0.000 1.044 654 Q CA 0.359 56.027 55.803 -0.226 0.000 0.918 654 Q CB 0.170 28.613 28.738 -0.491 0.000 1.242 654 Q HN 0.716 nan 8.270 nan 0.000 0.405 655 Y N 0.268 120.594 120.300 0.043 0.000 4.929 655 Y HA -0.362 4.193 4.550 0.008 0.000 0.253 655 Y C 0.882 176.690 175.900 -0.153 0.000 0.946 655 Y CA 0.729 58.770 58.100 -0.098 0.000 1.905 655 Y CB -2.065 36.354 38.460 -0.069 0.000 1.400 655 Y HN 0.713 nan 8.280 nan 0.000 0.531 656 L N 1.659 122.973 121.223 0.151 0.000 2.054 656 L HA -0.299 4.046 4.340 0.008 0.000 0.220 656 L C 2.863 179.841 176.870 0.180 0.000 1.081 656 L CA 2.952 57.914 54.840 0.202 0.000 0.780 656 L CB -0.766 41.449 42.059 0.260 0.000 0.893 656 L HN 0.635 nan 8.230 nan 0.000 0.438 657 H N -1.098 118.060 119.070 0.147 0.000 2.489 657 H HA -0.085 4.476 4.556 0.008 0.000 0.293 657 H C 1.435 176.757 175.328 -0.010 0.000 1.066 657 H CA 1.348 57.410 56.048 0.023 0.000 1.305 657 H CB -0.654 29.107 29.762 -0.002 0.000 1.386 657 H HN 0.605 nan 8.280 nan 0.000 0.551 658 E N 1.119 121.043 120.200 -0.461 0.000 2.511 658 E HA 0.045 4.399 4.350 0.008 0.000 0.196 658 E C 1.581 178.117 176.600 -0.106 0.000 1.066 658 E CA 0.692 56.931 56.400 -0.269 0.000 0.871 658 E CB 0.110 29.636 29.700 -0.289 0.000 0.863 658 E HN 0.768 nan 8.360 nan 0.000 0.520 659 I N -3.264 117.280 120.570 -0.043 0.000 4.147 659 I HA 0.214 4.389 4.170 0.008 0.000 0.329 659 I C 1.745 177.875 176.117 0.022 0.000 1.424 659 I CA -0.384 60.926 61.300 0.018 0.000 1.127 659 I CB 0.329 38.380 38.000 0.084 0.000 1.128 659 I HN -0.195 nan 8.210 nan 0.000 0.417 660 K N 1.893 122.220 120.400 -0.122 0.000 2.057 660 K HA -0.178 4.147 4.320 0.008 0.000 0.207 660 K C 1.332 177.802 176.600 -0.217 0.000 1.049 660 K CA 2.303 58.341 56.287 -0.416 0.000 0.931 660 K CB 0.030 32.012 32.500 -0.865 0.000 0.714 660 K HN 0.355 nan 8.250 nan 0.000 0.440 661 D N 0.107 120.426 120.400 -0.136 0.000 2.144 661 D HA -0.108 4.537 4.640 0.008 0.000 0.199 661 D C 1.980 178.288 176.300 0.013 0.000 0.984 661 D CA 1.046 55.009 54.000 -0.061 0.000 0.834 661 D CB -0.149 40.626 40.800 -0.042 0.000 0.955 661 D HN 0.145 nan 8.370 nan 0.000 0.465 662 S N 0.234 115.951 115.700 0.028 0.000 2.348 662 S HA -0.109 4.365 4.470 0.008 0.000 0.221 662 S C 2.416 177.084 174.600 0.113 0.000 1.033 662 S CA 0.706 58.945 58.200 0.066 0.000 1.010 662 S CB -0.397 62.836 63.200 0.054 0.000 0.891 662 S HN 0.074 nan 8.310 nan 0.000 0.442 663 V N 1.792 121.792 119.914 0.144 0.000 2.282 663 V HA -0.191 3.934 4.120 0.008 0.000 0.249 663 V C 2.355 178.593 176.094 0.239 0.000 1.057 663 V CA 1.672 64.103 62.300 0.219 0.000 1.032 663 V CB -0.877 31.174 31.823 0.379 0.000 0.645 663 V HN 0.326 nan 8.190 nan 0.000 0.447 664 V N 0.147 120.181 119.914 0.200 0.000 2.287 664 V HA -0.300 3.825 4.120 0.008 0.000 0.248 664 V C 2.725 178.952 176.094 0.222 0.000 1.053 664 V CA 2.143 64.573 62.300 0.217 0.000 1.027 664 V CB -1.247 30.647 31.823 0.117 0.000 0.646 664 V HN 0.581 nan 8.190 nan 0.000 0.447 665 A N 0.062 122.980 122.820 0.163 0.000 1.892 665 A HA -0.236 4.089 4.320 0.008 0.000 0.218 665 A C 2.456 180.194 177.584 0.257 0.000 1.188 665 A CA 2.595 54.739 52.037 0.179 0.000 0.631 665 A CB -0.998 18.106 19.000 0.173 0.000 0.822 665 A HN 0.624 nan 8.150 nan 0.000 0.447 666 A N -1.397 121.565 122.820 0.237 0.000 1.883 666 A HA -0.122 4.203 4.320 0.008 0.000 0.217 666 A C 2.046 179.773 177.584 0.238 0.000 1.186 666 A CA 1.807 53.980 52.037 0.227 0.000 0.624 666 A CB -0.808 18.283 19.000 0.152 0.000 0.822 666 A HN 0.664 nan 8.150 nan 0.000 0.444 667 F N 0.710 120.710 119.950 0.083 0.000 2.202 667 F HA -0.205 4.327 4.527 0.008 0.000 0.301 667 F C 2.440 178.250 175.800 0.016 0.000 1.082 667 F CA 1.938 59.971 58.000 0.055 0.000 1.313 667 F CB -0.172 38.870 39.000 0.071 0.000 1.024 667 F HN 0.239 nan 8.300 nan 0.000 0.495 668 Q N -1.131 118.627 119.800 -0.071 0.000 2.119 668 Q HA -0.215 4.130 4.340 0.008 0.000 0.201 668 Q C 2.158 177.907 176.000 -0.418 0.000 0.972 668 Q CA 1.919 57.538 55.803 -0.306 0.000 0.847 668 Q CB -1.013 27.526 28.738 -0.332 0.000 0.903 668 Q HN 0.607 nan 8.270 nan 0.000 0.433 669 W N 0.577 121.801 121.300 -0.127 0.000 2.494 669 W HA 0.097 4.761 4.660 0.008 0.000 0.286 669 W C 2.456 178.889 176.519 -0.143 0.000 1.218 669 W CA 0.710 57.983 57.345 -0.120 0.000 1.313 669 W CB -0.438 28.970 29.460 -0.087 0.000 1.105 669 W HN 0.108 nan 8.180 nan 0.000 0.561 670 A N 0.409 123.238 122.820 0.015 0.000 1.908 670 A HA -0.244 4.081 4.320 0.008 0.000 0.218 670 A C 1.955 179.483 177.584 -0.093 0.000 1.181 670 A CA 2.657 54.686 52.037 -0.012 0.000 0.627 670 A CB -1.481 17.484 19.000 -0.058 0.000 0.818 670 A HN 0.317 nan 8.150 nan 0.000 0.445 671 T N -2.812 111.526 114.554 -0.360 0.000 3.023 671 T HA -0.007 4.348 4.350 0.008 0.000 0.266 671 T C 1.705 176.235 174.700 -0.284 0.000 1.093 671 T CA 1.488 63.351 62.100 -0.394 0.000 1.129 671 T CB -0.025 68.455 68.868 -0.645 0.000 0.899 671 T HN 0.365 nan 8.240 nan 0.000 0.491 672 K N 1.865 122.115 120.400 -0.250 0.000 2.116 672 K HA 0.113 4.438 4.320 0.008 0.000 0.203 672 K C 0.532 177.036 176.600 -0.159 0.000 1.052 672 K CA 0.903 57.052 56.287 -0.230 0.000 0.952 672 K CB 0.168 32.504 32.500 -0.273 0.000 0.729 672 K HN 0.485 nan 8.250 nan 0.000 0.446 673 E N 0.306 120.457 120.200 -0.082 0.000 2.460 673 E HA 0.285 4.640 4.350 0.008 0.000 0.249 673 E C -0.724 175.812 176.600 -0.107 0.000 0.962 673 E CA -0.546 55.803 56.400 -0.086 0.000 0.787 673 E CB 1.360 31.059 29.700 -0.002 0.000 1.341 673 E HN 0.378 nan 8.360 nan 0.000 0.407 674 G N 2.568 111.203 108.800 -0.275 0.000 2.653 674 G HA2 0.107 4.071 3.960 0.008 0.000 0.265 674 G HA3 0.107 4.071 3.960 0.008 0.000 0.265 674 G C -1.392 173.107 174.900 -0.669 0.000 1.237 674 G CA -0.758 44.035 45.100 -0.513 0.000 0.946 674 G HN 0.287 nan 8.290 nan 0.000 0.522 675 P HA 0.069 nan 4.420 nan 0.000 0.240 675 P C 1.630 178.781 177.300 -0.249 0.000 1.190 675 P CA 0.399 63.033 63.100 -0.776 0.000 0.781 675 P CB 0.350 31.433 31.700 -1.028 0.000 0.931 676 I N -0.225 120.275 120.570 -0.116 0.000 2.233 676 I HA -0.086 4.089 4.170 0.008 0.000 0.243 676 I C 1.335 177.678 176.117 0.376 0.000 1.093 676 I CA 1.574 62.988 61.300 0.189 0.000 1.380 676 I CB -0.267 37.946 38.000 0.355 0.000 1.067 676 I HN -0.072 nan 8.210 nan 0.000 0.413 677 F N -1.726 118.179 119.950 -0.074 0.000 2.409 677 F HA 0.504 5.036 4.527 0.008 0.000 0.375 677 F C 0.564 176.357 175.800 -0.013 0.000 1.394 677 F CA -0.248 57.743 58.000 -0.014 0.000 1.034 677 F CB -0.483 38.533 39.000 0.026 0.000 1.629 677 F HN 0.015 nan 8.300 nan 0.000 0.484 678 G N -0.028 108.632 108.800 -0.234 0.000 2.184 678 G HA2 -0.252 3.713 3.960 0.008 0.000 0.264 678 G HA3 -0.252 3.713 3.960 0.008 0.000 0.264 678 G C 0.167 174.850 174.900 -0.361 0.000 0.975 678 G CA 0.530 45.461 45.100 -0.282 0.000 0.642 678 G HN 0.513 nan 8.290 nan 0.000 0.536 679 E N 0.754 120.605 120.200 -0.581 0.000 2.345 679 E HA 0.334 4.689 4.350 0.008 0.000 0.259 679 E C 0.594 177.008 176.600 -0.310 0.000 1.117 679 E CA -0.455 55.664 56.400 -0.469 0.000 0.913 679 E CB 0.602 29.904 29.700 -0.663 0.000 1.057 679 E HN 0.573 nan 8.360 nan 0.000 0.432 680 E N 0.810 120.861 120.200 -0.248 0.000 2.398 680 E HA 0.072 4.427 4.350 0.008 0.000 0.263 680 E C -0.039 176.426 176.600 -0.224 0.000 1.046 680 E CA 0.097 56.353 56.400 -0.240 0.000 0.908 680 E CB 0.674 30.225 29.700 -0.249 0.000 0.963 680 E HN 0.203 nan 8.360 nan 0.000 0.431 681 M N 2.133 121.614 119.600 -0.199 0.000 2.255 681 M HA 0.274 4.759 4.480 0.008 0.000 0.336 681 M C 0.067 176.294 176.300 -0.121 0.000 1.135 681 M CA 0.208 55.443 55.300 -0.109 0.000 1.145 681 M CB 1.017 33.574 32.600 -0.072 0.000 1.473 681 M HN 0.296 nan 8.290 nan 0.000 0.462 682 R N 0.423 120.885 120.500 -0.064 0.000 2.533 682 R HA 0.310 4.655 4.340 0.008 0.000 0.288 682 R C -0.874 175.424 176.300 -0.004 0.000 1.039 682 R CA -0.080 55.958 56.100 -0.102 0.000 0.909 682 R CB 1.259 31.388 30.300 -0.285 0.000 1.195 682 R HN 0.808 nan 8.270 nan 0.000 0.438 683 S N 0.948 116.666 115.700 0.030 0.000 3.812 683 S HA -0.119 4.356 4.470 0.008 0.000 0.341 683 S C -0.545 174.112 174.600 0.095 0.000 1.057 683 S CA 0.708 58.949 58.200 0.068 0.000 1.015 683 S CB -1.351 61.883 63.200 0.056 0.000 0.893 683 S HN 0.364 nan 8.310 nan 0.000 0.476 684 V N 1.494 121.490 119.914 0.136 0.000 2.384 684 V HA 0.583 4.708 4.120 0.008 0.000 0.287 684 V C 0.334 176.545 176.094 0.195 0.000 1.020 684 V CA -0.687 61.718 62.300 0.176 0.000 0.850 684 V CB 1.728 33.715 31.823 0.272 0.000 0.987 684 V HN 0.440 nan 8.190 nan 0.000 0.436 685 R N 4.580 125.158 120.500 0.131 0.000 2.255 685 R HA 0.637 4.981 4.340 0.008 0.000 0.326 685 R C -1.430 174.899 176.300 0.048 0.000 0.986 685 R CA -0.161 55.994 56.100 0.092 0.000 0.847 685 R CB 1.431 31.770 30.300 0.065 0.000 1.111 685 R HN 0.463 nan 8.270 nan 0.000 0.452 686 V N 5.434 125.340 119.914 -0.014 0.000 2.378 686 V HA 0.366 4.490 4.120 0.008 0.000 0.288 686 V C -0.618 175.393 176.094 -0.138 0.000 1.016 686 V CA -0.821 61.443 62.300 -0.060 0.000 0.840 686 V CB 1.586 33.359 31.823 -0.084 0.000 0.994 686 V HN 0.880 nan 8.190 nan 0.000 0.431 687 N N 4.772 123.407 118.700 -0.108 0.000 2.469 687 N HA 0.499 5.243 4.740 0.008 0.000 0.253 687 N C -0.529 174.899 175.510 -0.137 0.000 0.970 687 N CA -0.493 52.473 53.050 -0.140 0.000 0.940 687 N CB 1.494 39.910 38.487 -0.118 0.000 1.128 687 N HN 0.600 nan 8.380 nan 0.000 0.503 688 I N 3.825 124.271 120.570 -0.207 0.000 2.389 688 I HA -0.028 4.147 4.170 0.008 0.000 0.295 688 I C 1.219 177.256 176.117 -0.134 0.000 1.117 688 I CA -0.001 61.192 61.300 -0.180 0.000 1.317 688 I CB 0.340 38.154 38.000 -0.311 0.000 1.431 688 I HN 0.572 nan 8.210 nan 0.000 0.521 689 L N 4.101 125.289 121.223 -0.058 0.000 2.131 689 L HA 0.066 4.410 4.340 0.008 0.000 0.206 689 L C 0.704 177.540 176.870 -0.056 0.000 1.087 689 L CA 1.045 55.852 54.840 -0.055 0.000 0.767 689 L CB -0.303 41.737 42.059 -0.030 0.000 0.917 689 L HN 0.617 nan 8.230 nan 0.000 0.441 690 D N -2.014 118.398 120.400 0.019 0.000 2.615 690 D HA 0.573 5.217 4.640 0.008 0.000 0.267 690 D C -1.499 174.911 176.300 0.183 0.000 1.236 690 D CA -0.243 53.767 54.000 0.017 0.000 0.839 690 D CB 2.874 43.544 40.800 -0.216 0.000 1.380 690 D HN -0.306 nan 8.370 nan 0.000 0.433 691 V N 0.430 120.441 119.914 0.162 0.000 2.950 691 V HA 0.551 4.676 4.120 0.008 0.000 0.295 691 V C -0.879 175.313 176.094 0.164 0.000 1.297 691 V CA -0.774 61.637 62.300 0.185 0.000 0.962 691 V CB 2.058 33.951 31.823 0.116 0.000 1.081 691 V HN 0.790 nan 8.190 nan 0.000 0.432 692 T N 2.738 117.399 114.554 0.177 0.000 2.879 692 T HA 0.877 5.232 4.350 0.008 0.000 0.290 692 T C -1.007 173.771 174.700 0.129 0.000 0.993 692 T CA -0.589 61.597 62.100 0.144 0.000 0.975 692 T CB 1.351 70.317 68.868 0.164 0.000 0.981 692 T HN 0.416 nan 8.240 nan 0.000 0.439 693 L N 1.811 123.113 121.223 0.132 0.000 2.323 693 L HA 0.553 4.898 4.340 0.008 0.000 0.265 693 L C 0.044 176.998 176.870 0.140 0.000 1.012 693 L CA -1.468 53.460 54.840 0.146 0.000 0.820 693 L CB 2.005 44.163 42.059 0.164 0.000 1.334 693 L HN 0.781 nan 8.230 nan 0.000 0.427 694 H N 0.122 119.215 119.070 0.038 0.000 2.732 694 H HA 0.189 4.750 4.556 0.008 0.000 0.351 694 H C 0.859 176.162 175.328 -0.042 0.000 1.090 694 H CA 0.525 56.555 56.048 -0.030 0.000 1.431 694 H CB 1.756 31.465 29.762 -0.088 0.000 1.447 694 H HN 0.742 nan 8.280 nan 0.000 0.582 695 A N 3.998 126.813 122.820 -0.009 0.000 1.940 695 A HA -0.134 4.191 4.320 0.008 0.000 0.219 695 A C 0.555 178.132 177.584 -0.012 0.000 1.176 695 A CA 1.499 53.584 52.037 0.081 0.000 0.631 695 A CB -0.158 18.872 19.000 0.049 0.000 0.814 695 A HN 0.797 nan 8.150 nan 0.000 0.446 696 D N -0.799 119.749 120.400 0.248 0.000 2.256 696 D HA 0.479 5.124 4.640 0.008 0.000 0.250 696 D C 1.094 177.310 176.300 -0.140 0.000 1.093 696 D CA 0.555 54.543 54.000 -0.020 0.000 0.882 696 D CB 1.575 42.351 40.800 -0.040 0.000 1.185 696 D HN 0.167 nan 8.370 nan 0.000 0.437 697 A N 3.658 126.364 122.820 -0.190 0.000 1.933 697 A HA -0.109 4.216 4.320 0.008 0.000 0.218 697 A C 1.363 178.864 177.584 -0.139 0.000 1.175 697 A CA 0.598 52.530 52.037 -0.175 0.000 0.628 697 A CB -0.410 18.492 19.000 -0.163 0.000 0.814 697 A HN 0.585 nan 8.150 nan 0.000 0.444 701 G N -0.704 108.076 108.800 -0.033 0.000 2.588 701 G HA2 0.357 4.322 3.960 0.008 0.000 0.278 701 G HA3 0.357 4.322 3.960 0.008 0.000 0.278 701 G C 1.121 176.013 174.900 -0.014 0.000 1.307 701 G CA 0.047 45.130 45.100 -0.029 0.000 1.016 701 G HN 0.155 nan 8.290 nan 0.000 0.503 702 G N -0.363 108.430 108.800 -0.012 0.000 2.440 702 G HA2 -0.038 3.927 3.960 0.008 0.000 0.218 702 G HA3 -0.038 3.927 3.960 0.008 0.000 0.218 702 G C 1.782 176.676 174.900 -0.010 0.000 1.154 702 G CA 1.460 46.559 45.100 -0.002 0.000 0.767 702 G HN 0.976 nan 8.290 nan 0.000 0.552 703 G N -0.576 108.212 108.800 -0.021 0.000 2.462 703 G HA2 -0.122 3.842 3.960 0.008 0.000 0.220 703 G HA3 -0.122 3.842 3.960 0.008 0.000 0.220 703 G C 1.845 176.728 174.900 -0.028 0.000 1.121 703 G CA 1.095 46.177 45.100 -0.030 0.000 0.758 703 G HN 0.392 nan 8.290 nan 0.000 0.559 704 Q N -0.334 119.455 119.800 -0.019 0.000 2.178 704 Q HA 0.144 4.488 4.340 0.008 0.000 0.195 704 Q C 2.799 178.797 176.000 -0.003 0.000 0.960 704 Q CA 0.231 56.026 55.803 -0.013 0.000 0.843 704 Q CB -0.194 28.541 28.738 -0.004 0.000 0.927 704 Q HN 0.392 nan 8.270 nan 0.000 0.487 705 I N 1.242 121.818 120.570 0.010 0.000 2.233 705 I HA -0.184 3.990 4.170 0.008 0.000 0.243 705 I C 2.492 178.623 176.117 0.023 0.000 1.093 705 I CA 0.915 62.229 61.300 0.025 0.000 1.380 705 I CB -1.191 36.836 38.000 0.045 0.000 1.067 705 I HN 0.130 nan 8.210 nan 0.000 0.413 706 I N 1.366 121.949 120.570 0.021 0.000 2.145 706 I HA -0.274 3.901 4.170 0.008 0.000 0.244 706 I C -0.279 175.833 176.117 -0.009 0.000 1.075 706 I CA 2.053 63.367 61.300 0.023 0.000 1.332 706 I CB -1.996 36.013 38.000 0.014 0.000 1.033 706 I HN 0.187 nan 8.210 nan 0.000 0.410 707 P HA -0.075 nan 4.420 nan 0.000 0.217 707 P C 1.587 178.863 177.300 -0.040 0.000 1.151 707 P CA 1.413 64.483 63.100 -0.050 0.000 0.828 707 P CB -0.122 31.549 31.700 -0.048 0.000 0.788 708 T N 0.173 114.713 114.554 -0.024 0.000 2.555 708 T HA -0.261 4.094 4.350 0.008 0.000 0.264 708 T C 1.758 176.445 174.700 -0.020 0.000 1.083 708 T CA 1.911 63.996 62.100 -0.024 0.000 1.179 708 T CB -1.081 67.775 68.868 -0.019 0.000 0.863 708 T HN 0.031 nan 8.240 nan 0.000 0.412 709 M N 1.506 121.108 119.600 0.003 0.000 2.088 709 M HA -0.144 4.341 4.480 0.008 0.000 0.256 709 M C 2.204 178.500 176.300 -0.008 0.000 1.071 709 M CA 1.660 56.974 55.300 0.025 0.000 1.097 709 M CB -0.621 32.024 32.600 0.075 0.000 1.315 709 M HN 0.006 nan 8.290 nan 0.000 0.406 710 R N -0.109 120.358 120.500 -0.055 0.000 2.103 710 R HA -0.168 4.177 4.340 0.008 0.000 0.242 710 R C 2.248 178.326 176.300 -0.370 0.000 1.142 710 R CA 2.096 58.070 56.100 -0.210 0.000 0.960 710 R CB -0.340 29.826 30.300 -0.224 0.000 0.858 710 R HN 0.526 nan 8.270 nan 0.000 0.439 711 R N -0.611 119.776 120.500 -0.189 0.000 2.090 711 R HA -0.006 4.339 4.340 0.008 0.000 0.228 711 R C 2.280 178.599 176.300 0.032 0.000 1.110 711 R CA 1.041 57.100 56.100 -0.069 0.000 0.973 711 R CB -0.270 30.096 30.300 0.109 0.000 0.869 711 R HN 0.203 nan 8.270 nan 0.000 0.440 712 A N 0.860 123.695 122.820 0.025 0.000 1.902 712 A HA -0.138 4.187 4.320 0.008 0.000 0.217 712 A C 2.194 179.847 177.584 0.116 0.000 1.181 712 A CA 1.846 53.927 52.037 0.073 0.000 0.623 712 A CB -0.805 18.207 19.000 0.020 0.000 0.818 712 A HN 0.231 nan 8.150 nan 0.000 0.443 713 T N -0.807 113.797 114.554 0.085 0.000 2.622 713 T HA -0.188 4.166 4.350 0.008 0.000 0.266 713 T C 1.810 176.651 174.700 0.235 0.000 1.047 713 T CA 1.758 63.955 62.100 0.162 0.000 1.159 713 T CB -0.521 68.452 68.868 0.175 0.000 0.863 713 T HN 0.451 nan 8.240 nan 0.000 0.422 714 Y N 1.711 121.967 120.300 -0.073 0.000 2.102 714 Y HA -0.149 4.406 4.550 0.008 0.000 0.280 714 Y C 2.858 178.753 175.900 -0.007 0.000 1.178 714 Y CA 0.351 58.310 58.100 -0.234 0.000 1.146 714 Y CB -1.520 36.462 38.460 -0.797 0.000 0.968 714 Y HN 0.231 nan 8.280 nan 0.000 0.504 715 A N 0.066 123.050 122.820 0.274 0.000 1.873 715 A HA -0.194 4.131 4.320 0.008 0.000 0.218 715 A C 2.738 180.508 177.584 0.311 0.000 1.193 715 A CA 2.260 54.542 52.037 0.409 0.000 0.629 715 A CB -1.515 17.777 19.000 0.485 0.000 0.826 715 A HN 0.473 nan 8.150 nan 0.000 0.447 716 G N -1.263 107.683 108.800 0.244 0.000 2.491 716 G HA2 -0.300 3.665 3.960 0.008 0.000 0.218 716 G HA3 -0.300 3.665 3.960 0.008 0.000 0.218 716 G C 1.522 176.521 174.900 0.166 0.000 1.180 716 G CA 1.274 46.472 45.100 0.162 0.000 0.774 716 G HN 0.533 nan 8.290 nan 0.000 0.562 717 F N 0.613 120.609 119.950 0.077 0.000 2.046 717 F HA -0.114 4.417 4.527 0.008 0.000 0.297 717 F C 2.401 178.223 175.800 0.037 0.000 1.123 717 F CA 1.163 59.195 58.000 0.053 0.000 1.199 717 F CB -0.172 38.863 39.000 0.059 0.000 0.972 717 F HN 0.025 nan 8.300 nan 0.000 0.474 718 L N 0.430 121.932 121.223 0.466 0.000 2.261 718 L HA -0.202 4.142 4.340 0.008 0.000 0.216 718 L C 2.057 178.993 176.870 0.110 0.000 1.114 718 L CA 1.443 56.481 54.840 0.331 0.000 0.777 718 L CB -1.297 40.998 42.059 0.393 0.000 0.910 718 L HN 0.342 nan 8.230 nan 0.000 0.440 719 L N -1.450 119.767 121.223 -0.010 0.000 2.375 719 L HA 0.083 4.428 4.340 0.008 0.000 0.215 719 L C 1.786 178.544 176.870 -0.186 0.000 1.108 719 L CA 0.417 55.121 54.840 -0.225 0.000 0.830 719 L CB -0.292 41.537 42.059 -0.382 0.000 0.959 719 L HN 0.162 nan 8.230 nan 0.000 0.457 720 A N 0.064 122.787 122.820 -0.163 0.000 2.543 720 A HA 0.020 4.345 4.320 0.008 0.000 0.258 720 A C 0.027 177.483 177.584 -0.213 0.000 1.391 720 A CA -0.066 51.860 52.037 -0.185 0.000 1.066 720 A CB -0.799 18.087 19.000 -0.190 0.000 0.972 720 A HN 0.463 nan 8.150 nan 0.000 0.560 721 D N -0.815 119.484 120.400 -0.169 0.000 3.763 721 D HA -0.100 4.544 4.640 0.008 0.000 0.232 721 D C -2.810 173.374 176.300 -0.194 0.000 1.108 721 D CA 0.303 54.220 54.000 -0.138 0.000 1.117 721 D CB -0.561 40.174 40.800 -0.108 0.000 0.846 721 D HN 0.300 nan 8.370 nan 0.000 0.405 722 P HA 0.408 nan 4.420 nan 0.000 0.275 722 P C -0.540 176.727 177.300 -0.054 0.000 1.227 722 P CA -0.074 62.922 63.100 -0.173 0.000 0.781 722 P CB 0.821 32.541 31.700 0.035 0.000 0.906 723 K N 1.409 121.798 120.400 -0.018 0.000 2.555 723 K HA 0.664 4.988 4.320 0.008 0.000 0.279 723 K C -1.052 175.614 176.600 0.110 0.000 0.986 723 K CA -0.745 55.562 56.287 0.034 0.000 0.880 723 K CB 1.707 34.210 32.500 0.006 0.000 1.474 723 K HN 0.469 nan 8.250 nan 0.000 0.433 724 I N -1.329 119.313 120.570 0.120 0.000 2.689 724 I HA 0.508 4.682 4.170 0.008 0.000 0.299 724 I C -1.222 175.019 176.117 0.207 0.000 1.059 724 I CA -0.604 60.810 61.300 0.191 0.000 1.055 724 I CB 2.129 40.252 38.000 0.205 0.000 1.243 724 I HN 0.474 nan 8.210 nan 0.000 0.425 725 Q N 4.693 124.647 119.800 0.256 0.000 2.274 725 Q HA 0.411 4.756 4.340 0.008 0.000 0.260 725 Q C -1.175 175.131 176.000 0.511 0.000 0.974 725 Q CA -0.765 55.227 55.803 0.315 0.000 0.876 725 Q CB 2.459 31.351 28.738 0.256 0.000 1.297 725 Q HN 0.734 nan 8.270 nan 0.000 0.446 726 E N 1.973 122.445 120.200 0.454 0.000 2.195 726 E HA 0.555 4.909 4.350 0.008 0.000 0.271 726 E C -2.661 174.035 176.600 0.160 0.000 0.923 726 E CA -2.332 54.272 56.400 0.340 0.000 0.790 726 E CB 1.857 31.704 29.700 0.245 0.000 1.155 726 E HN 0.190 nan 8.360 nan 0.000 0.402 727 P HA 0.138 nan 4.420 nan 0.000 0.282 727 P C -0.689 176.222 177.300 -0.647 0.000 1.249 727 P CA -0.512 62.219 63.100 -0.616 0.000 0.806 727 P CB 1.385 32.607 31.700 -0.796 0.000 0.984 728 V N 3.369 122.723 119.914 -0.934 0.000 2.638 728 V HA 0.324 4.448 4.120 0.008 0.000 0.306 728 V C 0.070 175.700 176.094 -0.772 0.000 1.052 728 V CA -0.533 61.269 62.300 -0.830 0.000 0.885 728 V CB 1.286 32.594 31.823 -0.857 0.000 0.999 728 V HN 0.353 nan 8.190 nan 0.000 0.424 729 F N 3.459 123.181 119.950 -0.380 0.000 2.378 729 F HA 0.484 5.016 4.527 0.008 0.000 0.319 729 F C 0.355 176.101 175.800 -0.090 0.000 1.155 729 F CA -0.870 56.972 58.000 -0.263 0.000 1.157 729 F CB 0.814 39.673 39.000 -0.235 0.000 1.252 729 F HN 0.262 nan 8.300 nan 0.000 0.550 730 L N 3.737 125.070 121.223 0.184 0.000 2.366 730 L HA 0.488 4.833 4.340 0.008 0.000 0.266 730 L C -1.318 175.543 176.870 -0.015 0.000 1.010 730 L CA -0.599 54.329 54.840 0.147 0.000 0.879 730 L CB 0.872 43.019 42.059 0.147 0.000 1.228 730 L HN 0.416 nan 8.230 nan 0.000 0.439 731 V N 5.356 125.228 119.914 -0.069 0.000 2.432 731 V HA 0.361 4.486 4.120 0.008 0.000 0.275 731 V C -0.179 175.855 176.094 -0.100 0.000 1.043 731 V CA -0.244 61.980 62.300 -0.127 0.000 0.925 731 V CB 1.760 33.483 31.823 -0.166 0.000 0.985 731 V HN 0.882 nan 8.190 nan 0.000 0.466 732 E N 6.457 126.597 120.200 -0.100 0.000 2.151 732 E HA 0.563 4.917 4.350 0.008 0.000 0.275 732 E C -1.231 175.329 176.600 -0.066 0.000 0.936 732 E CA -0.653 55.702 56.400 -0.075 0.000 0.777 732 E CB 1.422 31.083 29.700 -0.065 0.000 1.108 732 E HN 0.770 nan 8.360 nan 0.000 0.401 733 I N 3.519 124.065 120.570 -0.039 0.000 2.498 733 I HA 0.217 4.392 4.170 0.008 0.000 0.290 733 I C -0.621 175.514 176.117 0.030 0.000 1.032 733 I CA -1.023 60.264 61.300 -0.021 0.000 1.073 733 I CB 2.064 40.041 38.000 -0.039 0.000 1.251 733 I HN 0.449 nan 8.210 nan 0.000 0.426 734 Q N 4.174 124.026 119.800 0.085 0.000 2.257 734 Q HA 0.618 4.962 4.340 0.008 0.000 0.255 734 Q C -1.205 174.848 176.000 0.088 0.000 0.920 734 Q CA -0.028 55.840 55.803 0.109 0.000 0.927 734 Q CB 1.860 30.695 28.738 0.163 0.000 1.229 734 Q HN 0.701 nan 8.270 nan 0.000 0.433 735 C N 4.704 124.057 119.300 0.088 0.000 3.199 735 C HA 0.469 4.933 4.460 0.008 0.000 0.392 735 C C -2.760 172.313 174.990 0.138 0.000 1.050 735 C CA -1.513 57.555 59.018 0.084 0.000 1.222 735 C CB 1.442 29.216 27.740 0.056 0.000 1.595 735 C HN 0.646 nan 8.230 nan 0.000 0.560 736 P HA 0.088 nan 4.420 nan 0.000 0.265 736 P C 0.765 178.191 177.300 0.209 0.000 1.193 736 P CA 0.721 63.923 63.100 0.171 0.000 0.765 736 P CB 0.498 32.291 31.700 0.155 0.000 0.823 737 E N 3.053 123.406 120.200 0.255 0.000 2.169 737 E HA -0.352 4.003 4.350 0.008 0.000 0.202 737 E C 1.475 178.220 176.600 0.242 0.000 1.016 737 E CA 1.864 58.503 56.400 0.399 0.000 0.817 737 E CB 0.101 29.989 29.700 0.313 0.000 0.736 737 E HN 0.568 nan 8.360 nan 0.000 0.462 738 Q N -0.466 119.429 119.800 0.158 0.000 2.096 738 Q HA -0.122 4.222 4.340 0.008 0.000 0.204 738 Q C 1.948 178.005 176.000 0.094 0.000 0.982 738 Q CA 1.655 57.525 55.803 0.110 0.000 0.850 738 Q CB -0.244 28.544 28.738 0.084 0.000 0.901 738 Q HN 0.212 nan 8.270 nan 0.000 0.422 739 A N 0.744 123.619 122.820 0.092 0.000 2.238 739 A HA 0.177 4.502 4.320 0.008 0.000 0.210 739 A C 2.103 179.717 177.584 0.051 0.000 1.179 739 A CA -0.035 52.038 52.037 0.061 0.000 0.827 739 A CB -0.012 19.015 19.000 0.045 0.000 0.856 739 A HN 0.193 nan 8.150 nan 0.000 0.488 740 V N 0.170 120.132 119.914 0.080 0.000 2.660 740 V HA -0.243 3.882 4.120 0.008 0.000 0.257 740 V C 2.668 178.795 176.094 0.054 0.000 1.088 740 V CA 1.818 64.140 62.300 0.037 0.000 1.106 740 V CB -1.294 30.570 31.823 0.068 0.000 0.686 740 V HN 0.599 nan 8.190 nan 0.000 0.481 741 G N 0.535 109.391 108.800 0.093 0.000 2.421 741 G HA2 -0.172 3.793 3.960 0.008 0.000 0.216 741 G HA3 -0.172 3.793 3.960 0.008 0.000 0.216 741 G C 1.635 176.584 174.900 0.083 0.000 1.171 741 G CA 0.821 45.994 45.100 0.121 0.000 0.775 741 G HN 0.581 nan 8.290 nan 0.000 0.543 742 G N 0.751 109.568 108.800 0.029 0.000 2.462 742 G HA2 -0.149 3.816 3.960 0.008 0.000 0.220 742 G HA3 -0.149 3.816 3.960 0.008 0.000 0.220 742 G C 1.684 176.559 174.900 -0.041 0.000 1.121 742 G CA 0.796 45.894 45.100 -0.003 0.000 0.758 742 G HN 0.471 nan 8.290 nan 0.000 0.559 743 I N -0.601 119.909 120.570 -0.100 0.000 2.094 743 I HA -0.166 4.009 4.170 0.008 0.000 0.234 743 I C 2.343 178.359 176.117 -0.168 0.000 1.063 743 I CA 1.105 62.284 61.300 -0.202 0.000 1.328 743 I CB -0.474 37.289 38.000 -0.394 0.000 1.058 743 I HN 0.104 nan 8.210 nan 0.000 0.400 744 Y N 0.590 120.890 120.300 -0.002 0.000 2.298 744 Y HA -0.276 4.278 4.550 0.007 0.000 0.287 744 Y C 2.976 178.884 175.900 0.014 0.000 1.164 744 Y CA 1.562 59.663 58.100 0.001 0.000 1.229 744 Y CB -0.962 37.484 38.460 -0.023 0.000 0.977 744 Y HN 0.188 nan 8.280 nan 0.000 0.538 745 S N -0.357 115.422 115.700 0.132 0.000 2.356 745 S HA -0.153 4.322 4.470 0.008 0.000 0.223 745 S C 2.102 176.745 174.600 0.071 0.000 1.032 745 S CA 1.679 59.931 58.200 0.087 0.000 1.005 745 S CB -0.659 62.574 63.200 0.055 0.000 0.867 745 S HN 0.202 nan 8.310 nan 0.000 0.449 746 V N 2.094 122.040 119.914 0.052 0.000 2.488 746 V HA 0.003 4.128 4.120 0.008 0.000 0.246 746 V C 2.398 178.573 176.094 0.135 0.000 1.046 746 V CA 1.268 63.610 62.300 0.070 0.000 1.053 746 V CB -0.690 31.139 31.823 0.010 0.000 0.679 746 V HN 0.461 nan 8.190 nan 0.000 0.458 747 L N 0.557 121.860 121.223 0.135 0.000 2.127 747 L HA -0.157 4.188 4.340 0.008 0.000 0.211 747 L C 2.048 178.988 176.870 0.116 0.000 1.089 747 L CA 1.307 56.232 54.840 0.140 0.000 0.757 747 L CB -0.639 41.483 42.059 0.105 0.000 0.899 747 L HN 0.430 nan 8.230 nan 0.000 0.434 748 N N 0.355 119.121 118.700 0.110 0.000 2.521 748 N HA -0.069 4.676 4.740 0.008 0.000 0.188 748 N C 0.926 176.483 175.510 0.078 0.000 1.146 748 N CA 0.770 53.875 53.050 0.090 0.000 0.893 748 N CB 0.163 38.701 38.487 0.084 0.000 0.975 748 N HN 0.393 nan 8.380 nan 0.000 0.451 749 K N -0.349 120.104 120.400 0.087 0.000 2.438 749 K HA 0.214 4.539 4.320 0.008 0.000 0.205 749 K C 0.395 177.050 176.600 0.091 0.000 1.033 749 K CA 0.091 56.426 56.287 0.080 0.000 1.089 749 K CB 0.834 33.379 32.500 0.075 0.000 0.857 749 K HN -0.193 nan 8.250 nan 0.000 0.522 750 K N 0.033 120.491 120.400 0.096 0.000 2.520 750 K HA 0.258 4.583 4.320 0.008 0.000 0.206 750 K C -0.620 176.017 176.600 0.063 0.000 1.122 750 K CA -0.151 56.190 56.287 0.090 0.000 1.045 750 K CB 0.712 33.279 32.500 0.113 0.000 0.932 750 K HN 0.004 nan 8.250 nan 0.000 0.571 751 R N -0.360 120.179 120.500 0.065 0.000 3.531 751 R HA -0.133 4.211 4.340 0.008 0.000 0.280 751 R C 0.269 176.604 176.300 0.059 0.000 1.130 751 R CA 0.582 56.717 56.100 0.058 0.000 0.757 751 R CB -2.263 28.067 30.300 0.051 0.000 1.218 751 R HN 0.328 nan 8.270 nan 0.000 0.454 752 G N 0.606 109.445 108.800 0.065 0.000 2.476 752 G HA2 0.302 4.266 3.960 0.008 0.000 0.269 752 G HA3 0.302 4.266 3.960 0.008 0.000 0.269 752 G C -0.448 174.502 174.900 0.084 0.000 1.195 752 G CA -0.320 44.819 45.100 0.064 0.000 0.843 752 G HN 0.195 nan 8.290 nan 0.000 0.545 753 Q N 1.354 121.212 119.800 0.097 0.000 2.337 753 Q HA 0.380 4.725 4.340 0.008 0.000 0.264 753 Q C -0.858 175.154 176.000 0.020 0.000 1.007 753 Q CA -0.646 55.215 55.803 0.097 0.000 0.727 753 Q CB 1.686 30.528 28.738 0.174 0.000 1.256 753 Q HN 0.359 nan 8.270 nan 0.000 0.467 754 V N 4.606 124.539 119.914 0.032 0.000 2.493 754 V HA -0.031 4.094 4.120 0.008 0.000 0.292 754 V C 1.042 177.095 176.094 -0.069 0.000 1.016 754 V CA 0.270 62.575 62.300 0.008 0.000 1.097 754 V CB 0.877 32.784 31.823 0.140 0.000 0.947 754 V HN 0.769 nan 8.190 nan 0.000 0.479 755 V N 3.218 123.030 119.914 -0.169 0.000 2.795 755 V HA 0.147 4.271 4.120 0.008 0.000 0.243 755 V C 0.743 176.773 176.094 -0.106 0.000 1.069 755 V CA 1.324 63.498 62.300 -0.211 0.000 1.089 755 V CB 0.544 32.112 31.823 -0.425 0.000 0.756 755 V HN 1.040 nan 8.190 nan 0.000 0.471 756 S N -0.691 114.965 115.700 -0.073 0.000 2.580 756 S HA 0.479 4.954 4.470 0.008 0.000 0.281 756 S C -1.309 173.294 174.600 0.005 0.000 1.129 756 S CA -0.752 57.432 58.200 -0.026 0.000 0.862 756 S CB 2.260 65.443 63.200 -0.030 0.000 1.090 756 S HN 0.332 nan 8.310 nan 0.000 0.451 757 E N 1.000 121.220 120.200 0.033 0.000 2.246 757 E HA 0.514 4.868 4.350 0.008 0.000 0.266 757 E C -1.162 175.514 176.600 0.127 0.000 0.880 757 E CA -0.419 56.014 56.400 0.055 0.000 0.762 757 E CB 1.515 31.226 29.700 0.018 0.000 1.180 757 E HN 0.736 nan 8.360 nan 0.000 0.416 758 E N 2.480 122.816 120.200 0.228 0.000 2.410 758 E HA 0.276 4.630 4.350 0.008 0.000 0.269 758 E C -1.135 175.729 176.600 0.440 0.000 0.937 758 E CA -0.940 55.631 56.400 0.285 0.000 0.793 758 E CB 2.598 32.381 29.700 0.139 0.000 1.314 758 E HN 0.420 nan 8.360 nan 0.000 0.447 759 Q N 1.201 121.109 119.800 0.180 0.000 2.375 759 Q HA 0.333 4.678 4.340 0.008 0.000 0.271 759 Q C -1.074 174.869 176.000 -0.095 0.000 1.074 759 Q CA -0.789 54.916 55.803 -0.164 0.000 0.808 759 Q CB 2.063 30.458 28.738 -0.572 0.000 1.327 759 Q HN 0.381 nan 8.270 nan 0.000 0.441 760 R N 4.434 124.868 120.500 -0.109 0.000 2.288 760 R HA 0.150 4.494 4.340 0.008 0.000 0.330 760 R C -1.895 174.359 176.300 -0.077 0.000 1.069 760 R CA -1.311 54.758 56.100 -0.052 0.000 0.941 760 R CB 0.438 30.729 30.300 -0.016 0.000 0.998 760 R HN 0.556 nan 8.270 nan 0.000 0.452 761 P HA -0.320 nan 4.420 nan 0.000 0.220 761 P C 0.904 178.162 177.300 -0.070 0.000 0.849 761 P CA 2.269 65.337 63.100 -0.054 0.000 1.048 761 P CB -0.047 31.633 31.700 -0.034 0.000 0.727 762 G N -1.707 107.057 108.800 -0.059 0.000 2.604 762 G HA2 -0.179 3.786 3.960 0.008 0.000 0.216 762 G HA3 -0.179 3.786 3.960 0.008 0.000 0.216 762 G C 0.562 175.404 174.900 -0.096 0.000 1.265 762 G CA 2.052 47.110 45.100 -0.070 0.000 0.804 762 G HN 0.583 nan 8.290 nan 0.000 0.579 763 T N -0.174 114.325 114.554 -0.093 0.000 2.663 763 T HA 0.297 4.652 4.350 0.008 0.000 0.325 763 T C -1.777 172.844 174.700 -0.131 0.000 1.059 763 T CA -0.385 61.638 62.100 -0.128 0.000 1.039 763 T CB 1.336 70.183 68.868 -0.036 0.000 0.996 763 T HN 0.200 nan 8.240 nan 0.000 0.539 764 P HA 0.301 nan 4.420 nan 0.000 0.231 764 P C -0.753 176.542 177.300 -0.009 0.000 1.833 764 P CA -0.377 62.658 63.100 -0.107 0.000 1.023 764 P CB -0.233 31.424 31.700 -0.072 0.000 1.643 765 L N 0.919 122.143 121.223 0.003 0.000 2.297 765 L HA 0.484 4.829 4.340 0.008 0.000 0.277 765 L C -0.532 176.332 176.870 -0.010 0.000 1.040 765 L CA -0.885 54.002 54.840 0.078 0.000 0.867 765 L CB -0.108 42.049 42.059 0.162 0.000 1.244 765 L HN -0.207 nan 8.230 nan 0.000 0.433 766 F N 2.326 122.317 119.950 0.068 0.000 2.403 766 F HA 0.503 5.034 4.527 0.007 0.000 0.320 766 F C 1.084 176.903 175.800 0.032 0.000 1.176 766 F CA -0.061 57.970 58.000 0.050 0.000 1.206 766 F CB 1.459 40.494 39.000 0.058 0.000 1.235 766 F HN 0.418 nan 8.300 nan 0.000 0.565 767 T N 2.418 117.152 114.554 0.300 0.000 3.103 767 T HA 0.468 4.823 4.350 0.008 0.000 0.352 767 T C -1.354 173.396 174.700 0.084 0.000 1.048 767 T CA -0.559 61.626 62.100 0.141 0.000 1.175 767 T CB -0.362 68.566 68.868 0.099 0.000 1.029 767 T HN 0.273 nan 8.240 nan 0.000 0.498 768 V N 5.365 125.291 119.914 0.019 0.000 2.555 768 V HA 0.457 4.582 4.120 0.008 0.000 0.286 768 V C 0.392 176.447 176.094 -0.066 0.000 1.044 768 V CA -0.254 62.014 62.300 -0.054 0.000 1.026 768 V CB 1.037 32.741 31.823 -0.198 0.000 0.981 768 V HN 0.704 nan 8.190 nan 0.000 0.480 769 K N 3.201 123.557 120.400 -0.074 0.000 2.345 769 K HA 0.843 5.168 4.320 0.008 0.000 0.255 769 K C -0.498 176.004 176.600 -0.163 0.000 0.934 769 K CA -0.344 55.876 56.287 -0.110 0.000 0.801 769 K CB 2.255 34.688 32.500 -0.110 0.000 1.137 769 K HN 0.857 nan 8.250 nan 0.000 0.424 770 A N 1.975 124.682 122.820 -0.189 0.000 2.583 770 A HA 0.616 4.941 4.320 0.008 0.000 0.289 770 A C -1.977 175.477 177.584 -0.216 0.000 1.151 770 A CA -0.687 51.215 52.037 -0.225 0.000 0.695 770 A CB 0.779 19.722 19.000 -0.095 0.000 1.290 770 A HN 0.525 nan 8.150 nan 0.000 0.419 771 Y N -0.125 120.166 120.300 -0.014 0.000 2.335 771 Y HA 0.597 5.151 4.550 0.008 0.000 0.339 771 Y C -0.327 175.542 175.900 -0.051 0.000 0.987 771 Y CA -0.929 57.164 58.100 -0.012 0.000 1.140 771 Y CB 1.592 40.079 38.460 0.046 0.000 1.173 771 Y HN 0.507 nan 8.280 nan 0.000 0.486 772 L N 7.461 128.738 121.223 0.091 0.000 2.343 772 L HA 0.645 4.990 4.340 0.008 0.000 0.278 772 L C -2.827 174.000 176.870 -0.072 0.000 0.996 772 L CA -2.530 52.284 54.840 -0.044 0.000 0.831 772 L CB 1.723 43.642 42.059 -0.233 0.000 1.232 772 L HN 0.281 nan 8.230 nan 0.000 0.413 773 P HA 0.020 nan 4.420 nan 0.000 0.262 773 P C 0.967 178.122 177.300 -0.243 0.000 1.199 773 P CA 0.020 63.013 63.100 -0.178 0.000 0.763 773 P CB 0.765 32.417 31.700 -0.080 0.000 0.790 774 V N 3.633 123.266 119.914 -0.468 0.000 2.469 774 V HA -0.251 3.873 4.120 0.008 0.000 0.251 774 V C 1.980 177.851 176.094 -0.372 0.000 1.064 774 V CA 2.206 64.148 62.300 -0.597 0.000 1.066 774 V CB -1.099 30.174 31.823 -0.917 0.000 0.667 774 V HN 0.716 nan 8.190 nan 0.000 0.461 775 N N -0.023 118.545 118.700 -0.219 0.000 2.501 775 N HA -0.115 4.630 4.740 0.008 0.000 0.195 775 N C 1.064 176.617 175.510 0.072 0.000 1.213 775 N CA 0.733 53.772 53.050 -0.019 0.000 0.864 775 N CB 0.131 38.675 38.487 0.095 0.000 0.999 775 N HN 0.531 nan 8.380 nan 0.000 0.454 776 E N -0.243 119.943 120.200 -0.024 0.000 2.641 776 E HA 0.036 4.391 4.350 0.008 0.000 0.224 776 E C 0.644 177.254 176.600 0.016 0.000 0.951 776 E CA 0.116 56.542 56.400 0.044 0.000 1.102 776 E CB 0.606 30.322 29.700 0.026 0.000 1.091 776 E HN 0.459 nan 8.360 nan 0.000 0.507 777 S N -0.140 115.492 115.700 -0.113 0.000 2.593 777 S HA 0.123 4.597 4.470 0.008 0.000 0.217 777 S C 0.525 175.095 174.600 -0.051 0.000 0.966 777 S CA -0.424 57.703 58.200 -0.122 0.000 0.914 777 S CB -0.526 62.616 63.200 -0.097 0.000 0.776 777 S HN -0.060 nan 8.310 nan 0.000 0.523 778 F N 2.904 122.923 119.950 0.114 0.000 2.541 778 F HA 0.481 5.012 4.527 0.008 0.000 0.378 778 F C 1.720 177.586 175.800 0.110 0.000 1.068 778 F CA 0.428 58.488 58.000 0.100 0.000 1.199 778 F CB 0.035 39.078 39.000 0.072 0.000 1.091 778 F HN 0.315 nan 8.300 nan 0.000 0.555 779 G N 3.295 112.261 108.800 0.277 0.000 2.160 779 G HA2 -0.391 3.573 3.960 0.008 0.000 0.251 779 G HA3 -0.391 3.573 3.960 0.008 0.000 0.251 779 G C 0.894 175.890 174.900 0.159 0.000 1.008 779 G CA 0.405 45.608 45.100 0.173 0.000 0.724 779 G HN 0.662 nan 8.290 nan 0.000 0.514 780 F N 2.088 122.048 119.950 0.016 0.000 2.051 780 F HA -0.126 4.406 4.527 0.009 0.000 0.296 780 F C 2.907 178.686 175.800 -0.034 0.000 1.122 780 F CA 3.196 61.187 58.000 -0.015 0.000 1.201 780 F CB -0.826 38.144 39.000 -0.050 0.000 0.978 780 F HN 0.389 nan 8.300 nan 0.000 0.472 781 T N -1.725 112.788 114.554 -0.067 0.000 2.665 781 T HA -0.178 4.177 4.350 0.008 0.000 0.268 781 T C 2.329 176.922 174.700 -0.179 0.000 1.035 781 T CA 1.515 63.493 62.100 -0.202 0.000 1.151 781 T CB -1.809 67.010 68.868 -0.080 0.000 0.862 781 T HN 0.368 nan 8.240 nan 0.000 0.438 782 G N 1.302 110.050 108.800 -0.086 0.000 2.440 782 G HA2 -0.202 3.763 3.960 0.008 0.000 0.218 782 G HA3 -0.202 3.763 3.960 0.008 0.000 0.218 782 G C 1.563 176.414 174.900 -0.081 0.000 1.154 782 G CA 0.894 45.960 45.100 -0.056 0.000 0.767 782 G HN 0.672 nan 8.290 nan 0.000 0.552 783 E N -0.461 119.672 120.200 -0.112 0.000 2.107 783 E HA -0.012 4.343 4.350 0.008 0.000 0.191 783 E C 2.354 178.840 176.600 -0.190 0.000 0.982 783 E CA 0.354 56.685 56.400 -0.113 0.000 0.809 783 E CB -0.110 29.547 29.700 -0.071 0.000 0.756 783 E HN 0.344 nan 8.360 nan 0.000 0.459 784 L N 1.373 122.383 121.223 -0.355 0.000 2.141 784 L HA -0.115 4.230 4.340 0.008 0.000 0.209 784 L C 2.263 179.012 176.870 -0.202 0.000 1.094 784 L CA 1.460 56.073 54.840 -0.378 0.000 0.763 784 L CB -0.306 41.367 42.059 -0.644 0.000 0.908 784 L HN -0.099 nan 8.230 nan 0.000 0.437 785 R N -0.330 120.077 120.500 -0.154 0.000 2.096 785 R HA -0.254 4.091 4.340 0.008 0.000 0.229 785 R C 2.418 178.686 176.300 -0.053 0.000 1.134 785 R CA 2.299 58.354 56.100 -0.075 0.000 0.917 785 R CB -0.758 29.518 30.300 -0.041 0.000 0.832 785 R HN 0.551 nan 8.270 nan 0.000 0.430 786 Q N -0.416 119.357 119.800 -0.045 0.000 2.062 786 Q HA -0.271 4.073 4.340 0.008 0.000 0.209 786 Q C 1.962 177.944 176.000 -0.029 0.000 0.996 786 Q CA 2.608 58.395 55.803 -0.027 0.000 0.859 786 Q CB -0.434 28.292 28.738 -0.020 0.000 0.920 786 Q HN 0.517 nan 8.270 nan 0.000 0.415 787 A N 0.050 122.841 122.820 -0.047 0.000 1.869 787 A HA -0.219 4.106 4.320 0.008 0.000 0.218 787 A C 2.009 179.575 177.584 -0.031 0.000 1.203 787 A CA 2.322 54.335 52.037 -0.041 0.000 0.638 787 A CB -1.299 17.662 19.000 -0.065 0.000 0.831 787 A HN 0.656 nan 8.150 nan 0.000 0.450 788 T N -3.481 111.046 114.554 -0.044 0.000 3.268 788 T HA 0.450 4.805 4.350 0.008 0.000 0.244 788 T C 1.061 175.756 174.700 -0.008 0.000 0.915 788 T CA 0.733 62.819 62.100 -0.024 0.000 0.935 788 T CB -0.494 68.354 68.868 -0.034 0.000 1.110 788 T HN 1.708 nan 8.240 nan 0.000 0.573 789 G N 0.907 109.704 108.800 -0.004 0.000 2.352 789 G HA2 -0.075 3.890 3.960 0.008 0.000 0.295 789 G HA3 -0.075 3.890 3.960 0.008 0.000 0.295 789 G C 1.202 176.106 174.900 0.005 0.000 0.991 789 G CA 0.414 45.517 45.100 0.005 0.000 0.796 789 G HN 1.913 nan 8.290 nan 0.000 0.511 790 G N -2.008 106.790 108.800 -0.003 0.000 2.162 790 G HA2 -0.321 3.644 3.960 0.008 0.000 0.260 790 G HA3 -0.321 3.644 3.960 0.008 0.000 0.260 790 G C 1.023 175.930 174.900 0.012 0.000 0.976 790 G CA 1.202 46.304 45.100 0.004 0.000 0.655 790 G HN 0.739 nan 8.290 nan 0.000 0.533 791 Q N -0.255 119.551 119.800 0.011 0.000 2.432 791 Q HA 0.374 4.719 4.340 0.008 0.000 0.205 791 Q C 1.642 177.658 176.000 0.025 0.000 0.945 791 Q CA 1.021 56.833 55.803 0.015 0.000 0.924 791 Q CB 0.104 28.857 28.738 0.025 0.000 1.016 791 Q HN 1.025 nan 8.270 nan 0.000 0.503 792 A N 0.817 123.651 122.820 0.023 0.000 2.363 792 A HA 0.381 4.706 4.320 0.008 0.000 0.270 792 A C -0.915 176.733 177.584 0.106 0.000 1.121 792 A CA -0.242 51.816 52.037 0.035 0.000 0.800 792 A CB 0.037 19.018 19.000 -0.031 0.000 1.052 792 A HN 0.190 nan 8.150 nan 0.000 0.493 793 F N 4.755 124.671 119.950 -0.058 0.000 2.434 793 F HA 0.524 5.056 4.527 0.008 0.000 0.367 793 F C -2.599 173.177 175.800 -0.040 0.000 1.093 793 F CA -2.789 55.181 58.000 -0.051 0.000 1.085 793 F CB 1.801 40.767 39.000 -0.057 0.000 1.322 793 F HN 0.289 nan 8.300 nan 0.000 0.452 794 P HA 0.285 nan 4.420 nan 0.000 0.278 794 P C -1.547 175.453 177.300 -0.500 0.000 1.238 794 P CA -0.293 62.603 63.100 -0.339 0.000 0.794 794 P CB 0.959 32.558 31.700 -0.169 0.000 0.955 795 Q N 1.859 121.472 119.800 -0.313 0.000 2.526 795 Q HA 0.408 4.753 4.340 0.008 0.000 0.238 795 Q C -1.201 174.659 176.000 -0.233 0.000 0.866 795 Q CA -0.311 55.319 55.803 -0.288 0.000 0.801 795 Q CB 0.877 29.477 28.738 -0.230 0.000 1.380 795 Q HN 0.485 nan 8.270 nan 0.000 0.446 796 M N 0.834 120.261 119.600 -0.288 0.000 2.465 796 M HA 0.857 5.342 4.480 0.008 0.000 0.316 796 M C -1.557 174.535 176.300 -0.346 0.000 1.121 796 M CA -0.970 54.120 55.300 -0.350 0.000 0.934 796 M CB 2.278 34.544 32.600 -0.558 0.000 1.692 796 M HN 0.256 nan 8.290 nan 0.000 0.444 797 V N 2.763 122.572 119.914 -0.175 0.000 3.130 797 V HA 0.615 4.740 4.120 0.008 0.000 0.310 797 V C -1.520 174.755 176.094 0.301 0.000 1.158 797 V CA -0.765 61.550 62.300 0.026 0.000 1.029 797 V CB 2.592 34.428 31.823 0.022 0.000 1.057 797 V HN 0.854 nan 8.190 nan 0.000 0.436 798 F N 3.108 123.186 119.950 0.214 0.000 2.529 798 F HA 0.336 4.868 4.527 0.008 0.000 0.365 798 F C 0.717 176.507 175.800 -0.016 0.000 1.102 798 F CA 0.828 58.866 58.000 0.063 0.000 1.271 798 F CB 1.283 40.218 39.000 -0.109 0.000 1.120 798 F HN 0.771 nan 8.300 nan 0.000 0.579 799 D N 1.710 121.532 120.400 -0.964 0.000 2.766 799 D HA 0.125 4.770 4.640 0.008 0.000 0.284 799 D C -0.779 175.037 176.300 -0.807 0.000 1.050 799 D CA 0.968 54.602 54.000 -0.609 0.000 0.945 799 D CB 0.293 41.022 40.800 -0.119 0.000 1.272 799 D HN 0.760 nan 8.370 nan 0.000 0.482 800 H N -4.171 114.089 119.070 -1.350 0.000 2.932 800 H HA 0.452 5.012 4.556 0.008 0.000 0.307 800 H C -1.784 173.117 175.328 -0.712 0.000 1.391 800 H CA -1.288 54.267 56.048 -0.821 0.000 1.130 800 H CB 0.012 29.510 29.762 -0.440 0.000 1.836 800 H HN -0.092 nan 8.280 nan 0.000 0.522 801 W N 0.896 122.167 121.300 -0.048 0.000 2.433 801 W HA 0.587 5.252 4.660 0.008 0.000 0.315 801 W C 0.019 176.562 176.519 0.040 0.000 1.087 801 W CA -0.760 56.591 57.345 0.010 0.000 1.205 801 W CB 2.138 31.675 29.460 0.128 0.000 1.288 801 W HN 0.592 nan 8.180 nan 0.000 0.504 802 S N 2.199 118.028 115.700 0.216 0.000 2.456 802 S HA 0.403 4.878 4.470 0.008 0.000 0.316 802 S C -0.289 174.425 174.600 0.190 0.000 1.089 802 S CA -0.560 57.745 58.200 0.175 0.000 1.101 802 S CB 0.469 63.716 63.200 0.078 0.000 0.995 802 S HN 0.327 nan 8.310 nan 0.000 0.468 803 T N 6.825 121.474 114.554 0.158 0.000 2.752 803 T HA 0.259 4.614 4.350 0.008 0.000 0.295 803 T C 0.322 175.085 174.700 0.105 0.000 0.923 803 T CA -0.237 61.942 62.100 0.133 0.000 1.112 803 T CB -0.186 68.741 68.868 0.098 0.000 0.884 803 T HN 0.544 nan 8.240 nan 0.000 0.525 804 L N 2.818 124.108 121.223 0.111 0.000 2.456 804 L HA 0.249 4.594 4.340 0.008 0.000 0.272 804 L C 1.841 178.742 176.870 0.053 0.000 1.189 804 L CA -0.359 54.530 54.840 0.081 0.000 0.846 804 L CB 0.102 42.208 42.059 0.077 0.000 1.111 804 L HN 0.778 nan 8.230 nan 0.000 0.475 805 G N 1.712 110.536 108.800 0.040 0.000 2.394 805 G HA2 -0.138 3.827 3.960 0.008 0.000 0.214 805 G HA3 -0.138 3.827 3.960 0.008 0.000 0.214 805 G C 0.854 175.763 174.900 0.016 0.000 1.176 805 G CA 0.445 45.560 45.100 0.026 0.000 0.786 805 G HN 0.716 nan 8.290 nan 0.000 0.533 806 S N 0.502 116.209 115.700 0.012 0.000 2.553 806 S HA 0.077 4.552 4.470 0.008 0.000 0.271 806 S C -0.208 174.389 174.600 -0.005 0.000 1.362 806 S CA -0.113 58.088 58.200 0.001 0.000 1.010 806 S CB 0.994 64.191 63.200 -0.004 0.000 0.865 806 S HN 0.239 nan 8.310 nan 0.000 0.543 807 D N 1.776 122.170 120.400 -0.010 0.000 2.336 807 D HA 0.278 4.922 4.640 0.008 0.000 0.249 807 D C -0.968 175.317 176.300 -0.025 0.000 1.213 807 D CA -2.418 51.576 54.000 -0.011 0.000 0.870 807 D CB 1.002 41.799 40.800 -0.005 0.000 1.076 807 D HN 0.241 nan 8.370 nan 0.000 0.483 808 P HA -0.161 nan 4.420 nan 0.000 0.221 808 P C 1.413 178.682 177.300 -0.052 0.000 1.145 808 P CA 0.872 63.933 63.100 -0.065 0.000 0.795 808 P CB 0.307 31.985 31.700 -0.036 0.000 0.775 809 L N -0.644 120.573 121.223 -0.011 0.000 2.240 809 L HA 0.034 4.378 4.340 0.008 0.000 0.211 809 L C 1.172 178.037 176.870 -0.009 0.000 1.106 809 L CA 0.556 55.399 54.840 0.004 0.000 0.793 809 L CB -0.907 41.172 42.059 0.033 0.000 0.927 809 L HN -0.017 nan 8.230 nan 0.000 0.446 810 D N 0.704 121.094 120.400 -0.016 0.000 2.365 810 D HA 0.131 4.776 4.640 0.008 0.000 0.237 810 D C -1.680 174.601 176.300 -0.032 0.000 1.190 810 D CA -2.238 51.752 54.000 -0.017 0.000 0.867 810 D CB 1.440 42.233 40.800 -0.012 0.000 1.050 810 D HN -0.180 nan 8.370 nan 0.000 0.491 811 P HA -0.171 nan 4.420 nan 0.000 0.218 811 P C 1.020 178.297 177.300 -0.038 0.000 1.152 811 P CA 1.365 64.441 63.100 -0.040 0.000 0.857 811 P CB 0.265 31.947 31.700 -0.028 0.000 0.787 812 T N -1.282 113.256 114.554 -0.026 0.000 3.014 812 T HA -0.007 4.348 4.350 0.008 0.000 0.263 812 T C 1.075 175.762 174.700 -0.022 0.000 1.078 812 T CA 0.619 62.706 62.100 -0.021 0.000 1.135 812 T CB -0.499 68.362 68.868 -0.013 0.000 0.895 812 T HN 0.272 nan 8.240 nan 0.000 0.480 813 S N 1.256 116.941 115.700 -0.025 0.000 2.598 813 S HA 0.087 4.562 4.470 0.008 0.000 0.256 813 S C 1.431 176.012 174.600 -0.031 0.000 1.350 813 S CA -0.445 57.741 58.200 -0.023 0.000 0.984 813 S CB 0.632 63.817 63.200 -0.024 0.000 0.930 813 S HN 0.011 nan 8.310 nan 0.000 0.577 814 K N 1.006 121.393 120.400 -0.022 0.000 2.057 814 K HA 0.022 4.346 4.320 0.008 0.000 0.206 814 K C 2.424 178.994 176.600 -0.051 0.000 1.050 814 K CA 1.551 57.825 56.287 -0.021 0.000 0.935 814 K CB -1.364 31.137 32.500 0.002 0.000 0.715 814 K HN 0.743 nan 8.250 nan 0.000 0.439 815 A N 1.013 123.796 122.820 -0.063 0.000 1.897 815 A HA 0.008 4.333 4.320 0.008 0.000 0.215 815 A C 2.491 179.962 177.584 -0.189 0.000 1.181 815 A CA 1.734 53.698 52.037 -0.121 0.000 0.620 815 A CB -1.063 17.887 19.000 -0.084 0.000 0.821 815 A HN 0.349 nan 8.150 nan 0.000 0.443 816 G N -0.326 108.394 108.800 -0.133 0.000 2.450 816 G HA2 -0.287 3.678 3.960 0.008 0.000 0.220 816 G HA3 -0.287 3.678 3.960 0.008 0.000 0.220 816 G C 1.438 176.246 174.900 -0.152 0.000 1.130 816 G CA 1.229 46.245 45.100 -0.140 0.000 0.760 816 G HN 0.681 nan 8.290 nan 0.000 0.557 817 E N -0.003 120.126 120.200 -0.119 0.000 2.077 817 E HA -0.084 4.271 4.350 0.008 0.000 0.193 817 E C 2.472 178.988 176.600 -0.141 0.000 0.989 817 E CA 0.676 57.017 56.400 -0.098 0.000 0.800 817 E CB -0.183 29.482 29.700 -0.058 0.000 0.746 817 E HN 0.520 nan 8.360 nan 0.000 0.452 818 I N 0.367 120.818 120.570 -0.199 0.000 2.142 818 I HA -0.284 3.891 4.170 0.008 0.000 0.240 818 I C 2.397 178.263 176.117 -0.417 0.000 1.078 818 I CA 0.855 61.985 61.300 -0.283 0.000 1.343 818 I CB -0.320 37.416 38.000 -0.440 0.000 1.046 818 I HN 0.082 nan 8.210 nan 0.000 0.405 819 V N 0.923 120.479 119.914 -0.596 0.000 2.231 819 V HA -0.327 3.798 4.120 0.008 0.000 0.248 819 V C 2.456 178.355 176.094 -0.324 0.000 1.054 819 V CA 2.148 63.999 62.300 -0.747 0.000 1.015 819 V CB -0.752 30.703 31.823 -0.614 0.000 0.638 819 V HN 0.380 nan 8.190 nan 0.000 0.444 820 L N 0.848 121.954 121.223 -0.196 0.000 1.971 820 L HA -0.204 4.140 4.340 0.008 0.000 0.215 820 L C 2.478 179.311 176.870 -0.062 0.000 1.072 820 L CA 2.680 57.464 54.840 -0.093 0.000 0.758 820 L CB -1.168 40.849 42.059 -0.071 0.000 0.889 820 L HN 0.252 nan 8.230 nan 0.000 0.433 821 A N -0.408 122.369 122.820 -0.072 0.000 1.873 821 A HA -0.242 4.083 4.320 0.008 0.000 0.218 821 A C 2.483 180.051 177.584 -0.027 0.000 1.193 821 A CA 2.801 54.812 52.037 -0.043 0.000 0.629 821 A CB -1.515 17.461 19.000 -0.040 0.000 0.826 821 A HN 0.696 nan 8.150 nan 0.000 0.447 822 A N -0.318 122.496 122.820 -0.010 0.000 1.873 822 A HA -0.236 4.088 4.320 0.008 0.000 0.218 822 A C 2.245 179.895 177.584 0.111 0.000 1.193 822 A CA 1.802 53.891 52.037 0.086 0.000 0.629 822 A CB -0.620 18.594 19.000 0.355 0.000 0.826 822 A HN 0.586 nan 8.150 nan 0.000 0.447 823 R N -0.236 120.353 120.500 0.148 0.000 2.096 823 R HA -0.189 4.156 4.340 0.008 0.000 0.240 823 R C 2.280 178.642 176.300 0.104 0.000 1.139 823 R CA 1.848 58.050 56.100 0.168 0.000 0.952 823 R CB -0.478 29.884 30.300 0.103 0.000 0.854 823 R HN 0.558 nan 8.270 nan 0.000 0.436 824 K N 0.350 120.774 120.400 0.040 0.000 2.032 824 K HA -0.198 4.127 4.320 0.008 0.000 0.209 824 K C 2.252 178.853 176.600 0.003 0.000 1.048 824 K CA 1.435 57.733 56.287 0.018 0.000 0.927 824 K CB -0.247 32.252 32.500 -0.003 0.000 0.712 824 K HN 0.105 nan 8.250 nan 0.000 0.441 825 R N 0.588 121.060 120.500 -0.048 0.000 2.112 825 R HA -0.186 4.159 4.340 0.008 0.000 0.242 825 R C 1.906 178.145 176.300 -0.102 0.000 1.137 825 R CA 1.703 57.731 56.100 -0.119 0.000 0.944 825 R CB -0.192 29.969 30.300 -0.232 0.000 0.857 825 R HN 0.344 nan 8.270 nan 0.000 0.435 826 H N -0.734 118.368 119.070 0.054 0.000 2.563 826 H HA 0.099 4.660 4.556 0.008 0.000 0.272 826 H C 0.781 176.130 175.328 0.035 0.000 1.005 826 H CA 0.930 57.005 56.048 0.047 0.000 1.171 826 H CB -0.077 29.722 29.762 0.062 0.000 1.351 826 H HN 0.597 nan 8.280 nan 0.000 0.602 827 G N 1.384 110.254 108.800 0.116 0.000 2.323 827 G HA2 -0.312 3.653 3.960 0.008 0.000 0.292 827 G HA3 -0.312 3.653 3.960 0.008 0.000 0.292 827 G C 0.304 175.252 174.900 0.080 0.000 1.040 827 G CA 0.590 45.736 45.100 0.076 0.000 0.942 827 G HN 0.296 nan 8.290 nan 0.000 0.506 828 M N -1.276 118.383 119.600 0.098 0.000 2.531 828 M HA 0.474 4.959 4.480 0.008 0.000 0.262 828 M C 0.809 177.143 176.300 0.056 0.000 1.168 828 M CA -0.883 54.465 55.300 0.081 0.000 0.926 828 M CB 0.821 33.484 32.600 0.105 0.000 1.445 828 M HN 0.076 nan 8.290 nan 0.000 0.531 829 K N 1.046 121.473 120.400 0.046 0.000 2.412 829 K HA -0.027 4.298 4.320 0.008 0.000 0.281 829 K C 0.682 177.301 176.600 0.033 0.000 1.027 829 K CA 0.265 56.570 56.287 0.030 0.000 0.989 829 K CB 0.608 33.120 32.500 0.020 0.000 0.935 829 K HN 0.572 nan 8.250 nan 0.000 0.475 830 E N 2.113 122.326 120.200 0.021 0.000 2.097 830 E HA -0.206 4.149 4.350 0.008 0.000 0.196 830 E C -0.371 176.237 176.600 0.013 0.000 1.000 830 E CA 1.463 57.872 56.400 0.015 0.000 0.804 830 E CB 0.197 29.900 29.700 0.005 0.000 0.740 830 E HN 0.558 nan 8.360 nan 0.000 0.454 831 E N -0.291 119.916 120.200 0.012 0.000 2.319 831 E HA 0.172 4.527 4.350 0.008 0.000 0.268 831 E C -0.790 175.828 176.600 0.029 0.000 1.050 831 E CA -0.360 56.048 56.400 0.013 0.000 0.878 831 E CB 1.567 31.271 29.700 0.007 0.000 1.066 831 E HN -0.144 nan 8.360 nan 0.000 0.406 832 V N 3.334 123.270 119.914 0.036 0.000 2.583 832 V HA 0.195 4.320 4.120 0.008 0.000 0.287 832 V C -1.978 174.163 176.094 0.079 0.000 1.051 832 V CA -1.613 60.726 62.300 0.064 0.000 1.010 832 V CB 0.508 32.372 31.823 0.070 0.000 0.988 832 V HN 0.626 nan 8.190 nan 0.000 0.478 833 P HA 0.181 nan 4.420 nan 0.000 0.264 833 P C 0.361 177.760 177.300 0.165 0.000 1.193 833 P CA 0.351 63.524 63.100 0.121 0.000 0.763 833 P CB 0.410 32.247 31.700 0.228 0.000 0.810 834 G N 2.824 111.672 108.800 0.079 0.000 2.606 834 G HA2 0.062 4.026 3.960 0.008 0.000 0.252 834 G HA3 0.062 4.026 3.960 0.008 0.000 0.252 834 G C 0.889 175.895 174.900 0.177 0.000 1.206 834 G CA -0.654 44.499 45.100 0.088 0.000 0.861 834 G HN 0.706 nan 8.290 nan 0.000 0.561 835 W N 0.214 121.611 121.300 0.162 0.000 2.392 835 W HA -0.115 4.550 4.660 0.008 0.000 0.279 835 W C 1.502 178.156 176.519 0.224 0.000 1.225 835 W CA 0.796 58.281 57.345 0.234 0.000 1.233 835 W CB -0.763 28.787 29.460 0.150 0.000 1.122 835 W HN 0.519 nan 8.180 nan 0.000 0.561 836 Q N 1.318 120.747 119.800 -0.618 0.000 2.112 836 Q HA -0.214 4.130 4.340 0.008 0.000 0.206 836 Q C 2.096 178.001 176.000 -0.158 0.000 0.987 836 Q CA 2.835 58.293 55.803 -0.575 0.000 0.858 836 Q CB -0.621 27.720 28.738 -0.662 0.000 0.905 836 Q HN 0.456 nan 8.270 nan 0.000 0.420 837 E N -1.151 118.952 120.200 -0.162 0.000 2.204 837 E HA -0.188 4.166 4.350 0.008 0.000 0.195 837 E C 1.105 177.542 176.600 -0.272 0.000 0.990 837 E CA 1.058 57.296 56.400 -0.271 0.000 0.821 837 E CB -0.010 29.418 29.700 -0.454 0.000 0.750 837 E HN 0.550 nan 8.360 nan 0.000 0.477 838 Y N -1.857 118.529 120.300 0.144 0.000 2.481 838 Y HA 0.081 4.636 4.550 0.008 0.000 0.258 838 Y C 0.826 176.847 175.900 0.202 0.000 1.103 838 Y CA -0.465 57.742 58.100 0.177 0.000 1.287 838 Y CB 0.181 38.792 38.460 0.251 0.000 1.108 838 Y HN -0.017 nan 8.280 nan 0.000 0.529 839 Y N 1.737 122.185 120.300 0.246 0.000 2.296 839 Y HA 0.098 4.652 4.550 0.008 0.000 0.343 839 Y C 0.648 176.597 175.900 0.082 0.000 1.292 839 Y CA -0.951 57.273 58.100 0.207 0.000 1.490 839 Y CB 0.322 38.947 38.460 0.276 0.000 1.359 839 Y HN -0.056 nan 8.280 nan 0.000 0.599 840 D N 2.133 122.405 120.400 -0.213 0.000 2.472 840 D HA -0.023 4.621 4.640 0.008 0.000 0.237 840 D C -0.478 175.851 176.300 0.049 0.000 1.141 840 D CA 0.275 54.200 54.000 -0.125 0.000 0.875 840 D CB 0.644 41.294 40.800 -0.250 0.000 1.192 840 D HN 0.296 nan 8.370 nan 0.000 0.450 841 K N 3.665 124.072 120.400 0.012 0.000 2.737 841 K HA 0.129 4.454 4.320 0.008 0.000 0.251 841 K C -0.354 176.260 176.600 0.025 0.000 1.280 841 K CA -0.348 55.949 56.287 0.017 0.000 1.219 841 K CB -0.396 32.093 32.500 -0.017 0.000 1.587 841 K HN 0.305 nan 8.250 nan 0.000 0.279 842 L N 0.000 121.266 121.223 0.071 0.000 2.949 842 L HA 0.000 4.345 4.340 0.008 0.000 0.249 842 L CA 0.000 54.884 54.840 0.073 0.000 0.813 842 L CB 0.000 42.121 42.059 0.103 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502